| 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 | 42.1 | Very low | 58.6 | Low | 193 Ų | 193 | 115.5 Ų | 115.5 | 95% | 0.951 | 59% | 0.59 | S | S | * | * | 0 | -59.4 | 0 | -124 | 169.3 | 175 | 0 | 0 | 110.5 | S3 E4 | M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.18Å; M1-S3 VanDerWaalsContact O-N 3.12Å; M1-E4 PolarHBondContact O-N 3.17Å | |||
| 2 | E | 42.5 | Very low | 59.5 | Low | 167 Ų | 167 | 115.7 Ų | 115.7 | 78% | 0.78 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56.3 | -31.4 | 178.6 | -71.4 | -179.5 | 155.9 | 0 | 0 | 115.3 | D6 | E2-D6 PolarHBondContact O-N 3.09Å |
| 3 | S | 51.3 | Low | 59.8 | Low | 84 Ų | 84 | 109 Ų | 109 | 59% | 0.587 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.4 | -32.5 | -178.5 | 58.4 | 0 | 0 | 0 | 0 | 114.8 | M1 E7 | M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.18Å; M1-S3 VanDerWaalsContact O-N 3.12Å; S3-E7 PolarHBondContact O-N 3.36Å |
| 4 | E | 53.1 | Low | 59.9 | Low | 141 Ų | 141 | 103.6 Ų | 103.6 | 66% | 0.659 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.2 | -37.1 | -179.4 | -73.7 | -178.9 | 163.6 | 0 | 0 | 111 | M1 E7 A8 | M1-E4 PolarHBondContact O-N 3.17Å; E4-E7 PolarHBondContact O-N 2.71Å; E4-A8 WeakPolarHBondContact O-CB 3.34Å; E4-A8 PolarHBondContact O-N 3.06Å |
| 5 | D | 63.1 | Low | 60.2 | Low | 108 Ų | 108 | 105.7 Ų | 105.7 | 58% | 0.578 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.4 | -40.2 | 176.7 | -68.5 | -32.1 | 0 | 0 | 0 | 111.6 | A8 Y9 | D5-A8 PolarHBondContact O-N 3.39Å; D5-Y9 VanDerWaalsContact O-CB 3.23Å; D5-Y9 WeakPolarHBondContact O-CB 3.37Å; D5-Y9 PolarHBondContact O-N 3.03Å |
| 6 | D | 62.5 | Low | 60 | Low | 115 Ų | 115 | 102.5 Ų | 102.5 | 62% | 0.615 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 176.3 | -85.6 | -15.9 | 0 | 0 | 0 | 112.4 | E2 S10 | E2-D6 PolarHBondContact O-N 3.09Å; D6-S10 VanDerWaalsContact O-CB 3.28Å; D6-S10 WeakPolarHBondContact O-CB 3.25Å; D6-S10 PolarHBondContact O-N 3.29Å |
| 7 | E | 62.3 | Low | 59.6 | Low | 132 Ų | 132 | 97.9 Ų | 97.9 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.7 | -45.1 | 175.7 | -77.5 | -168.2 | 172.2 | 0 | 0 | 111.8 | S3 E4 Y9 S10 Q11 | S3-E7 PolarHBondContact O-N 3.36Å; E4-E7 PolarHBondContact O-N 2.71Å; E7-Y9 VanDerWaalsContact C-N 3.32Å; E7-Y9 PolarHBondContact O-N 2.94Å; E7-S10 PolarHBondContact O-N 3.39Å; E7-Q11 WeakPolarHBondContact O-CB 3.22Å; E7-Q11 VanDerWaalsContact O-CG 3.28Å; E7-Q11 WeakPolarHBondContact O-CG 3.49Å; E7-Q11 PolarHBondContact O-N 3.32Å |
| 8 | A | 66.9 | Low | 59.3 | Low | 47 Ų | 47 | 99.6 Ų | 99.6 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E4 D5 Q11 L12 | E4-A8 WeakPolarHBondContact O-CB 3.34Å; E4-A8 PolarHBondContact O-N 3.06Å; D5-A8 PolarHBondContact O-N 3.39Å; A8-Q11 PolarHBondContact O-N 3.13Å; A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 PolarHBondContact O-N 3.23Å |
| 9 | Y | 68.9 | Low | 58.9 | Low | 136 Ų | 136 | 104.4 Ų | 104.4 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 175.3 | -176.8 | -104.9 | 0 | 0 | 0 | 112 | D5 E7 Q11 L12 V13 | D5-Y9 VanDerWaalsContact O-CB 3.23Å; D5-Y9 WeakPolarHBondContact O-CB 3.37Å; D5-Y9 PolarHBondContact O-N 3.03Å; E7-Y9 VanDerWaalsContact C-N 3.32Å; E7-Y9 PolarHBondContact O-N 2.94Å; Y9-Q11 VanDerWaalsContact C-N 3.3Å; Y9-Q11 PolarHBondContact O-N 3.04Å; Y9-L12 PolarHBondContact O-N 2.85Å; Y9-V13 HydrophobicContact CD1-CG2 4.17Å; Y9-V13 HydrophobicContact CE1-CG2 3.79Å; Y9-V13 HydrophobicContact CE2-CG2 4.16Å; Y9-V13 WeakPolarHBondContact O-CG2 3.3Å; Y9-V13 PolarHBondContact O-N 3.44Å |
| 10 | S | 61.9 | Low | 58.3 | Low | 39 Ų | 39 | 107.2 Ų | 107.2 | 27% | 0.273 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 175.8 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | D6 E7 T14 | D6-S10 VanDerWaalsContact O-CB 3.28Å; D6-S10 WeakPolarHBondContact O-CB 3.25Å; D6-S10 PolarHBondContact O-N 3.29Å; E7-S10 PolarHBondContact O-N 3.39Å; S10-T14 VanDerWaalsContact O-CB 3.31Å; S10-T14 WeakPolarHBondContact O-CB 3.16Å; S10-T14 PolarHBondContact O-N 2.9Å; S10-T14 PolarHBondContact O-OG1 3.36Å |
| 11 | Q | 69.5 | Low | 57.8 | Low | 108 Ų | 108 | 109.5 Ų | 109.5 | 51% | 0.505 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 174.6 | -71.5 | -178 | 32.4 | 0 | 0 | 112.8 | E7 A8 Y9 T14 K15 | E7-Q11 WeakPolarHBondContact O-CB 3.22Å; E7-Q11 VanDerWaalsContact O-CG 3.28Å; E7-Q11 WeakPolarHBondContact O-CG 3.49Å; E7-Q11 PolarHBondContact O-N 3.32Å; A8-Q11 PolarHBondContact O-N 3.13Å; Y9-Q11 VanDerWaalsContact C-N 3.3Å; Y9-Q11 PolarHBondContact O-N 3.04Å; Q11-T14 PolarHBondContact O-N 3.49Å; Q11-K15 WeakPolarHBondContact O-CB 3.28Å; Q11-K15 WeakPolarHBondContact O-CG 3.41Å; Q11-K15 PolarHBondContact O-N 3.14Å |
| 12 | L | 69.5 | Low | 58.1 | Low | 118 Ų | 118 | 110.8 Ų | 110.8 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.8 | -47.9 | 175.7 | -94.9 | 160.5 | 0 | 0 | 0 | 111.6 | A8 Y9 T14 K15 A16 | A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 PolarHBondContact O-N 3.23Å; Y9-L12 PolarHBondContact O-N 2.85Å; L12-T14 VanDerWaalsContact C-N 3.32Å; L12-T14 PolarHBondContact O-N 3.23Å; L12-K15 PolarHBondContact O-N 2.83Å; L12-A16 WeakPolarHBondContact O-CB 3.07Å; L12-A16 PolarHBondContact O-N 3.21Å |
| 13 | V | 63.6 | Low | 58.5 | Low | 29 Ų | 29 | 106.4 Ų | 106.4 | 18% | 0.176 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | Y9 K15 A16 N17 | Y9-V13 HydrophobicContact CD1-CG2 4.17Å; Y9-V13 HydrophobicContact CE1-CG2 3.79Å; Y9-V13 HydrophobicContact CE2-CG2 4.16Å; Y9-V13 WeakPolarHBondContact O-CG2 3.3Å; Y9-V13 PolarHBondContact O-N 3.44Å; V13-K15 PolarHBondContact O-N 2.91Å; V13-A16 PolarHBondContact O-N 3.15Å; V13-N17 WeakPolarHBondContact O-CB 3.49Å; V13-N17 PolarHBondContact O-N 3.11Å; V13-N17 PolarHBondContact O-ND2 3.44Å |
| 14 | T | 61.9 | Low | 58.9 | Low | 33 Ų | 33 | 103.6 Ų | 103.6 | 20% | 0.202 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 178.2 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | S10 Q11 L12 K18 | S10-T14 VanDerWaalsContact O-CB 3.31Å; S10-T14 WeakPolarHBondContact O-CB 3.16Å; S10-T14 PolarHBondContact O-N 2.9Å; S10-T14 PolarHBondContact O-OG1 3.36Å; Q11-T14 PolarHBondContact O-N 3.49Å; L12-T14 VanDerWaalsContact C-N 3.32Å; L12-T14 PolarHBondContact O-N 3.23Å; T14-K18 WeakPolarHBondContact O-CG 3.27Å; T14-K18 PolarHBondContact O-N 3.19Å; T14-K18 VanDerWaalsContact O-N 3.08Å |
| 15 | K | 64.4 | Low | 60.1 | Low | 136 Ų | 136 | 97.1 Ų | 97.1 | 59% | 0.591 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.3 | -44.4 | 176.1 | -77.1 | 176.3 | -178.9 | 172.3 | 0 | 112 | Q11 L12 V13 N17 K18 K19 | Q11-K15 WeakPolarHBondContact O-CB 3.28Å; Q11-K15 WeakPolarHBondContact O-CG 3.41Å; Q11-K15 PolarHBondContact O-N 3.14Å; L12-K15 PolarHBondContact O-N 2.83Å; V13-K15 PolarHBondContact O-N 2.91Å; K15-N17 VanDerWaalsContact C-N 3.32Å; K15-N17 PolarHBondContact O-N 3.41Å; K15-K18 PolarHBondContact O-N 3.47Å; K15-K19 PolarHBondContact O-N 3.46Å |
| 16 | A | 56.2 | Low | 61.1 | Low | 54 Ų | 54 | 92 Ų | 92 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L12 V13 K18 K19 | L12-A16 WeakPolarHBondContact O-CB 3.07Å; L12-A16 PolarHBondContact O-N 3.21Å; V13-A16 PolarHBondContact O-N 3.15Å; A16-K18 PolarHBondContact O-N 2.95Å; A16-K19 PolarHBondContact O-N 3.48Å |
| 17 | N | 52.8 | Low | 62 | Low | 25 Ų | 25 | 89 Ų | 89 | 13% | 0.134 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 175.4 | -84.1 | -11.9 | 0 | 0 | 0 | 112.6 | V13 K15 K19 R20 Q27 | V13-N17 WeakPolarHBondContact O-CB 3.49Å; V13-N17 PolarHBondContact O-N 3.11Å; V13-N17 PolarHBondContact O-ND2 3.44Å; K15-N17 VanDerWaalsContact C-N 3.32Å; K15-N17 PolarHBondContact O-N 3.41Å; N17-K19 VanDerWaalsContact C-N 3.29Å; N17-K19 PolarHBondContact O-N 3.38Å; N17-R20 PolarHBondContact O-N 3.41Å; N17-Q27 WeakPolarHBondContact CB-O 3.14Å |
| 18 | K | 54.8 | Low | 62.9 | Low | 127 Ų | 127 | 83.6 Ų | 83.6 | 55% | 0.552 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.4 | -31.3 | 175.3 | -76.3 | 177.3 | -178.7 | 178.9 | 0 | 113.4 | T14 K15 A16 R20 K21 | T14-K18 WeakPolarHBondContact O-CG 3.27Å; T14-K18 PolarHBondContact O-N 3.19Å; T14-K18 VanDerWaalsContact O-N 3.08Å; K15-K18 PolarHBondContact O-N 3.47Å; A16-K18 PolarHBondContact O-N 2.95Å; K18-R20 VanDerWaalsContact C-N 3.26Å; K18-R20 PolarHBondContact O-N 2.87Å; K18-K21 WeakPolarHBondContact O-CG 3.46Å |
| 19 | K | 52.3 | Low | 63.7 | Low | 192 Ų | 192 | 83 Ų | 83 | 84% | 0.835 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.6 | -22.1 | 178.4 | -71.5 | -175.2 | 177.6 | -178.7 | 0 | 113.2 | K15 A16 N17 K21 | K15-K19 PolarHBondContact O-N 3.46Å; A16-K19 PolarHBondContact O-N 3.48Å; N17-K19 VanDerWaalsContact C-N 3.29Å; N17-K19 PolarHBondContact O-N 3.38Å; K19-K21 PolarHBondContact O-N 2.7Å |
| 20 | R | 46.1 | Very low | 64.5 | Low | 160 Ų | 160 | 77.1 Ų | 77.1 | 60% | 0.604 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 22.9 | -178.2 | -59.9 | -173.2 | 82 | -176.3 | 6.3 | 114.7 | N17 K18 K22 S23 | N17-R20 PolarHBondContact O-N 3.41Å; K18-R20 VanDerWaalsContact C-N 3.26Å; K18-R20 PolarHBondContact O-N 2.87Å; R20-K22 PolarHBondContact O-N 3.5Å; R20-S23 PolarHBondContact O-N 2.61Å; R20-S23 VanDerWaalsContact O-N 3.13Å; R20-S23 PolarHBondContact O-OG 2.96Å |
| 21 | K | 48.1 | Very low | 65.8 | Low | 156 Ų | 156 | 75.3 Ų | 75.3 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -49.2 | -28.8 | -178.8 | -92.3 | 179.3 | 178 | -177.3 | 0 | 115.5 | K18 K19 S23 | K18-K21 WeakPolarHBondContact O-CG 3.46Å; K19-K21 PolarHBondContact O-N 2.7Å; K21-S23 VanDerWaalsContact C-N 3.28Å; K21-S23 PolarHBondContact O-N 2.95Å |
| 22 | K | 48.5 | Very low | 66.8 | Low | 219 Ų | 219 | 72.2 Ų | 72.2 | 95% | 0.952 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -65.2 | -22.6 | -179.4 | -71.6 | -170.1 | 178.2 | -177.5 | 0 | 114.4 | R20 | R20-K22 PolarHBondContact O-N 3.5Š|
| 23 | S | 50.7 | Low | 67.7 | Low | 75 Ų | 75 | 70.8 Ų | 70.8 | 52% | 0.524 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -87.4 | -5.8 | -174.1 | 69.9 | 0 | 0 | 0 | 0 | 115.3 | R20 K21 G25 | R20-S23 PolarHBondContact O-N 2.61Å; R20-S23 VanDerWaalsContact O-N 3.13Å; R20-S23 PolarHBondContact O-OG 2.96Å; K21-S23 VanDerWaalsContact C-N 3.28Å; K21-S23 PolarHBondContact O-N 2.95Å; S23-G25 PolarHBondContact O-N 3.24Å |
| 24 | G | 60.7 | Low | 69.1 | Low | 25 Ų | 25 | 73.6 Ų | 73.6 | 26% | 0.258 | 36% | 0.361 | S | S | . | . | trans | 59.3 | 11.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | P47 | G24-P47 WeakPolarHBondContact O-CD 3.3Å; G24-P47 WeakPolarHBondContact O-CG 3.49Å | ||
| 25 | G | 78.1 | Confident | 70.5 | Confident | 6 Ų | 6 | 72.2 Ų | 72.2 | 6% | 0.062 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -82.8 | 172.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S23 Q27 A28 | S23-G25 PolarHBondContact O-N 3.24Å; G25-Q27 PolarHBondContact O-N 3.07Å; G25-A28 WeakPolarHBondContact O-CB 3.45Å; G25-A28 PolarHBondContact O-N 3Å; G25-A28 VanDerWaalsContact O-N 3.15Å |
| 26 | F | 84 | Confident | 71.8 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -61.4 | -28.7 | 176 | -73.2 | -79.6 | 0 | 0 | 0 | 112.9 | A28 M29 L31 F36 I39 P47 I55 I80 | F26-A28 PolarHBondContact O-N 3.48Å; F26-M29 HydrophobicContact CD1-SD 4.05Å; F26-M29 WeakPolarHBondContact O-CB 2.97Å; F26-M29 PolarHBondContact O-N 2.72Å; F26-L31 HydrophobicContact CD1-CD1 4.36Å; F26-F36 HydrophobicContact CB-CD2 4.27Å; F26-F36 HydrophobicContact CB-CE2 4.08Å; F26-I39 HydrophobicContact CB-CG2 4.36Å; F26-I39 HydrophobicContact CD1-CD1 4.03Å; F26-I39 HydrophobicContact CD1-CG2 4.26Å; F26-I39 HydrophobicContact CD2-CG2 3.73Å; F26-I39 HydrophobicContact CE1-CG2 4.5Å; F26-I39 HydrophobicContact CE2-CG2 4Å; F26-I39 HydrophobicContact CG-CD1 4.39Å; F26-I39 HydrophobicContact CG-CG2 3.86Å; F26-I39 HydrophobicContact CZ-CG2 4.36Å; F26-P47 HydrophobicContact CD1-CB 4.33Å; F26-P47 HydrophobicContact CD2-CB 4.39Å; F26-P47 HydrophobicContact CE1-CB 3.86Å; F26-P47 HydrophobicContact CE2-CB 3.92Å; F26-P47 HydrophobicContact CZ-CB 3.65Å; F26-I55 HydrophobicContact CE1-CD1 4.02Å; F26-I80 HydrophobicContact CD1-CD1 4.13Å; F26-I80 HydrophobicContact CE1-CD1 3.48Å; F26-I80 VanDerWaalsContact CE1-CD1 3.48Å; F26-I80 HydrophobicContact CZ-CD1 4.25Å |
| 27 | Q | 79.9 | Confident | 73.5 | Confident | 51 Ų | 51 | 69.7 Ų | 69.7 | 24% | 0.238 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -58.1 | -37.7 | 175.6 | -63.8 | 93 | -15.6 | 0 | 0 | 111.7 | N17 G25 M29 G30 F36 | N17-Q27 WeakPolarHBondContact CB-O 3.14Å; G25-Q27 PolarHBondContact O-N 3.07Å; Q27-M29 PolarHBondContact O-N 3.16Å; Q27-M29 VanDerWaalsContact O-N 3.1Å; Q27-G30 PolarHBondContact O-N 3.28Å; Q27-F36 HydrophobicContact CB-CE2 4.47Å; Q27-F36 HydrophobicContact CG-CD2 4.42Å; Q27-F36 HydrophobicContact CG-CE1 4.3Å; Q27-F36 HydrophobicContact CG-CE2 3.55Å; Q27-F36 HydrophobicContact CG-CZ 3.51Å; Q27-F36 VanDerWaalsContact NE2-CZ 3.3Å |
| 28 | A | 81.5 | Confident | 75.3 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -67.7 | -12.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G25 F26 | G25-A28 WeakPolarHBondContact O-CB 3.45Å; G25-A28 PolarHBondContact O-N 3Å; G25-A28 VanDerWaalsContact O-N 3.15Å; F26-A28 PolarHBondContact O-N 3.48Å |
| 29 | M | 84.9 | Confident | 77 | Confident | 35 Ų | 35 | 62.4 Ų | 62.4 | 17% | 0.172 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -84 | -7.4 | -177.6 | -62.1 | 178.7 | 178.7 | 0 | 0 | 113.4 | F26 Q27 L31 P47 I55 | F26-M29 HydrophobicContact CD1-SD 4.05Å; F26-M29 WeakPolarHBondContact O-CB 2.97Å; F26-M29 PolarHBondContact O-N 2.72Å; Q27-M29 PolarHBondContact O-N 3.16Å; Q27-M29 VanDerWaalsContact O-N 3.1Å; M29-L31 HydrophobicContact CB-CD1 4.43Å; M29-L31 HydrophobicContact CB-CD2 4.47Å; M29-L31 HydrophobicContact CB-CG 4.05Å; M29-P47 HydrophobicContact CE-CB 3.87Å; M29-P47 HydrophobicContact CE-CG 3.82Å; M29-I55 HydrophobicContact CE-CD1 4.4Å; M29-I55 HydrophobicContact SD-CB 4.08Å; M29-I55 HydrophobicContact SD-CD1 4.03Å; M29-I55 HydrophobicContact SD-CG2 3.76Å |
| 30 | G | 84.5 | Confident | 78.8 | Confident | 11 Ų | 11 | 57 Ų | 57 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 36.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q27 | Q27-G30 PolarHBondContact O-N 3.28Š|
| 31 | L | 89.6 | Confident | 80.9 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | trans | -75.4 | 150.9 | 177.7 | -58.5 | 172.1 | 0 | 0 | 0 | 111.1 | F26 M29 I39 L59 I80 | F26-L31 HydrophobicContact CD1-CD1 4.36Å; M29-L31 HydrophobicContact CB-CD1 4.43Å; M29-L31 HydrophobicContact CB-CD2 4.47Å; M29-L31 HydrophobicContact CB-CG 4.05Å; L31-I39 HydrophobicContact CD1-CD1 3.54Å; L31-L59 HydrophobicContact CD2-CD1 4.02Å; L31-I80 HydrophobicContact CD1-CG2 3.65Å; L31-I80 HydrophobicContact CD2-CG2 3.71Å; L31-I80 HydrophobicContact CG-CG2 4.34Å | ||
| 32 | D | 90.4 | Very high | 82.7 | Confident | 43 Ų | 43 | 49.9 Ų | 49.9 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | trans | -56.3 | 147.2 | 171.8 | -167.3 | -72.1 | 0 | 0 | 0 | 111.7 | Q34 I35 F36 | D32-Q34 VanDerWaalsContact C-N 3.28Å; D32-Q34 PolarHBondContact O-N 3.43Å; D32-Q34 PolarHBondContact OD1-N 2.53Å; D32-I35 HydrophobicContact CB-CD1 3.97Å; D32-I35 HydrophobicContact CB-CG1 4.27Å; D32-I35 PolarHBondContact O-N 3.47Å; D32-F36 WeakPolarHBondContact O-CB 3.31Å; D32-F36 PolarHBondContact O-N 3.18Å | ||
| 33 | H | 89.7 | Confident | 84.2 | Confident | 89 Ų | 89 | 42 Ų | 42 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55 | -40.8 | 179 | -178.1 | 72.6 | 0 | 0 | 0 | 112.8 | I35 F36 K37 | H33-I35 VanDerWaalsContact C-N 3.34Å; H33-I35 PolarHBondContact O-N 3.14Å; H33-F36 PolarHBondContact O-N 3.44Å; H33-K37 VanDerWaalsContact O-CB 3.3Å; H33-K37 WeakPolarHBondContact O-CB 3.19Å; H33-K37 PolarHBondContact O-N 2.93Å |
| 34 | Q | 91.8 | Very high | 85.7 | Confident | 88 Ų | 88 | 41.8 Ų | 41.8 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.9 | -41.4 | -179.5 | -65.9 | -175.9 | -20.3 | 0 | 0 | 111.7 | D32 G38 F120 | D32-Q34 VanDerWaalsContact C-N 3.28Å; D32-Q34 PolarHBondContact O-N 3.43Å; D32-Q34 PolarHBondContact OD1-N 2.53Å; Q34-G38 PolarHBondContact O-N 2.94Å; Q34-G38 VanDerWaalsContact O-N 3.11Å; Q34-F120 HydrophobicContact CB-CB 4.21Å; Q34-F120 VanDerWaalsContact CD-O 3.32Å; Q34-F120 PolarHBondContact OE1-O 3.27Å |
| 35 | I | 92.3 | Very high | 86.5 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.6 | -46.2 | 178.4 | -61.1 | 169 | 0 | 0 | 0 | 109.6 | D32 H33 K37 G38 I39 I80 F83 Q84 V121 | D32-I35 HydrophobicContact CB-CD1 3.97Å; D32-I35 HydrophobicContact CB-CG1 4.27Å; D32-I35 PolarHBondContact O-N 3.47Å; H33-I35 VanDerWaalsContact C-N 3.34Å; H33-I35 PolarHBondContact O-N 3.14Å; I35-K37 VanDerWaalsContact C-N 3.34Å; I35-K37 PolarHBondContact O-N 2.85Å; I35-G38 WeakPolarHBondContact O-CA 3.45Å; I35-G38 PolarHBondContact O-N 2.78Å; I35-G38 VanDerWaalsContact O-N 3.09Å; I35-I39 HydrophobicContact CG2-CD1 3.96Å; I35-I39 HydrophobicContact CG2-CG1 4.49Å; I35-I39 WeakPolarHBondContact O-CG1 3.4Å; I35-I39 PolarHBondContact O-N 2.7Å; I35-I80 HydrophobicContact CG2-CG2 4.17Å; I35-F83 HydrophobicContact CD1-CB 3.76Å; I35-F83 HydrophobicContact CG1-CB 3.89Å; I35-Q84 HydrophobicContact CD1-CB 3.93Å; I35-Q84 VanDerWaalsContact CD1-OE1 3.3Å; I35-V121 HydrophobicContact CG1-CG2 3.87Å |
| 36 | F | 90.8 | Very high | 86.6 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 17% | 0.167 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 178.4 | -176 | -101.9 | 0 | 0 | 0 | 112.1 | F26 Q27 D32 H33 G38 I39 M40 | F26-F36 HydrophobicContact CB-CD2 4.27Å; F26-F36 HydrophobicContact CB-CE2 4.08Å; Q27-F36 HydrophobicContact CB-CE2 4.47Å; Q27-F36 HydrophobicContact CG-CD2 4.42Å; Q27-F36 HydrophobicContact CG-CE1 4.3Å; Q27-F36 HydrophobicContact CG-CE2 3.55Å; Q27-F36 HydrophobicContact CG-CZ 3.51Å; Q27-F36 VanDerWaalsContact NE2-CZ 3.3Å; D32-F36 WeakPolarHBondContact O-CB 3.31Å; D32-F36 PolarHBondContact O-N 3.18Å; H33-F36 PolarHBondContact O-N 3.44Å; F36-G38 VanDerWaalsContact C-N 3.29Å; F36-G38 PolarHBondContact O-N 2.92Å; F36-I39 PolarHBondContact O-N 3.41Å; F36-M40 HydrophobicContact CD1-CG 4.12Å; F36-M40 HydrophobicContact CE1-CG 3.53Å; F36-M40 HydrophobicContact CE1-SD 4.29Å; F36-M40 HydrophobicContact CE2-CG 4.02Å; F36-M40 HydrophobicContact CE2-SD 4.14Å; F36-M40 HydrophobicContact CZ-CG 3.43Å; F36-M40 VanDerWaalsContact CZ-CG 3.43Å; F36-M40 HydrophobicContact CZ-SD 3.63Å; F36-M40 WeakPolarHBondContact O-CG 3.49Å; F36-M40 PolarHBondContact O-N 3.5Å |
| 37 | K | 91.1 | Very high | 86.6 | Confident | 98 Ų | 98 | 55.8 Ų | 55.8 | 43% | 0.426 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.5 | -39.5 | 173.3 | -171.9 | 177.9 | 178.2 | 172.8 | 0 | 111.6 | H33 I35 T41 F120 | H33-K37 VanDerWaalsContact O-CB 3.3Å; H33-K37 WeakPolarHBondContact O-CB 3.19Å; H33-K37 PolarHBondContact O-N 2.93Å; I35-K37 VanDerWaalsContact C-N 3.34Å; I35-K37 PolarHBondContact O-N 2.85Å; K37-T41 VanDerWaalsContact O-CB 3.32Å; K37-T41 WeakPolarHBondContact O-CB 3.16Å; K37-T41 PolarHBondContact O-N 3.31Å; K37-T41 PolarHBondContact O-OG1 3.21Å; K37-F120 HydrophobicContact CB-CD2 4.06Å; K37-F120 HydrophobicContact CB-CE2 4.35Å; K37-F120 HydrophobicContact CD-CD1 4.1Å; K37-F120 HydrophobicContact CD-CD2 4.11Å; K37-F120 HydrophobicContact CD-CE1 4.11Å; K37-F120 HydrophobicContact CD-CE2 4.14Å; K37-F120 HydrophobicContact CD-CG 4.09Å; K37-F120 HydrophobicContact CD-CZ 4.13Å; K37-F120 HydrophobicContact CG-CD2 3.83Å; K37-F120 HydrophobicContact CG-CE2 3.7Å; K37-F120 HydrophobicContact CG-CG 4.31Å; K37-F120 HydrophobicContact CG-CZ 4.06Å |
| 38 | G | 92 | Very high | 86.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q34 I35 F36 M40 T41 K42 L117 | Q34-G38 PolarHBondContact O-N 2.94Å; Q34-G38 VanDerWaalsContact O-N 3.11Å; I35-G38 WeakPolarHBondContact O-CA 3.45Å; I35-G38 PolarHBondContact O-N 2.78Å; I35-G38 VanDerWaalsContact O-N 3.09Å; F36-G38 VanDerWaalsContact C-N 3.29Å; F36-G38 PolarHBondContact O-N 2.92Å; G38-M40 PolarHBondContact O-N 3.05Å; G38-T41 PolarHBondContact O-N 3.45Å; G38-K42 WeakPolarHBondContact O-CB 3.37Å; G38-K42 PolarHBondContact O-N 3.26Å; G38-L117 WeakPolarHBondContact CA-O 3.45Å |
| 39 | I | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.1 | -48.1 | 176.8 | -67.8 | 167.1 | 0 | 0 | 0 | 111.2 | F26 L31 I35 F36 K42 G43 Y44 I80 L117 | F26-I39 HydrophobicContact CB-CG2 4.36Å; F26-I39 HydrophobicContact CD1-CD1 4.03Å; F26-I39 HydrophobicContact CD1-CG2 4.26Å; F26-I39 HydrophobicContact CD2-CG2 3.73Å; F26-I39 HydrophobicContact CE1-CG2 4.5Å; F26-I39 HydrophobicContact CE2-CG2 4Å; F26-I39 HydrophobicContact CG-CD1 4.39Å; F26-I39 HydrophobicContact CG-CG2 3.86Å; F26-I39 HydrophobicContact CZ-CG2 4.36Å; L31-I39 HydrophobicContact CD1-CD1 3.54Å; I35-I39 HydrophobicContact CG2-CD1 3.96Å; I35-I39 HydrophobicContact CG2-CG1 4.49Å; I35-I39 WeakPolarHBondContact O-CG1 3.4Å; I35-I39 PolarHBondContact O-N 2.7Å; F36-I39 PolarHBondContact O-N 3.41Å; I39-K42 PolarHBondContact O-N 3.11Å; I39-G43 PolarHBondContact O-N 3.36Å; I39-Y44 PolarHBondContact O-N 3.13Å; I39-Y44 VanDerWaalsContact O-N 3.13Å; I39-I80 HydrophobicContact CD1-CD1 3.75Å; I39-I80 HydrophobicContact CD1-CG1 4.02Å; I39-I80 HydrophobicContact CD1-CG2 4.11Å; I39-I80 HydrophobicContact CG1-CD1 4.07Å; I39-I80 HydrophobicContact CG1-CG1 4.27Å; I39-L117 HydrophobicContact CB-CD1 4.43Å; I39-L117 HydrophobicContact CG1-CD1 3.86Å |
| 40 | M | 89.1 | Confident | 87 | Confident | 79 Ų | 79 | 57 Ų | 57 | 39% | 0.389 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 179.7 | -69.2 | -59.5 | -64.7 | 0 | 0 | 112.1 | F36 G38 K42 G43 | F36-M40 HydrophobicContact CD1-CG 4.12Å; F36-M40 HydrophobicContact CE1-CG 3.53Å; F36-M40 HydrophobicContact CE1-SD 4.29Å; F36-M40 HydrophobicContact CE2-CG 4.02Å; F36-M40 HydrophobicContact CE2-SD 4.14Å; F36-M40 HydrophobicContact CZ-CG 3.43Å; F36-M40 VanDerWaalsContact CZ-CG 3.43Å; F36-M40 HydrophobicContact CZ-SD 3.63Å; F36-M40 WeakPolarHBondContact O-CG 3.49Å; F36-M40 PolarHBondContact O-N 3.5Å; G38-M40 PolarHBondContact O-N 3.05Å; M40-K42 PolarHBondContact O-N 3.01Å; M40-G43 WeakPolarHBondContact O-CA 3.46Å; M40-G43 PolarHBondContact O-N 2.88Å |
| 41 | T | 90.1 | Very high | 87.2 | Confident | 86 Ų | 86 | 56.6 Ų | 56.6 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60 | -35.6 | 175.6 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | K37 G38 G43 F120 | K37-T41 VanDerWaalsContact O-CB 3.32Å; K37-T41 WeakPolarHBondContact O-CB 3.16Å; K37-T41 PolarHBondContact O-N 3.31Å; K37-T41 PolarHBondContact O-OG1 3.21Å; G38-T41 PolarHBondContact O-N 3.45Å; T41-G43 PolarHBondContact O-N 3.32Å; T41-F120 WeakPolarHBondContact OG1-CE2 3.34Å |
| 42 | K | 85.5 | Confident | 87.2 | Confident | 80 Ų | 80 | 62.6 Ų | 62.6 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -13.8 | 176.3 | -170.5 | 56.9 | -173.8 | 171.7 | 0 | 113.3 | G38 I39 M40 Y44 F113 E116 L117 | G38-K42 WeakPolarHBondContact O-CB 3.37Å; G38-K42 PolarHBondContact O-N 3.26Å; I39-K42 PolarHBondContact O-N 3.11Å; M40-K42 PolarHBondContact O-N 3.01Å; K42-Y44 HydrophobicContact CB-CD2 4.06Å; K42-Y44 HydrophobicContact CB-CE2 4.14Å; K42-Y44 HydrophobicContact CG-CD2 3.89Å; K42-Y44 HydrophobicContact CG-CE2 3.45Å; K42-Y44 VanDerWaalsContact CG-CE2 3.45Å; K42-F113 HydrophobicContact CD-CE2 4.44Å; K42-F113 HydrophobicContact CG-CE2 4.19Å; K42-E116 HydrophobicContact CD-CB 4.34Å; K42-E116 WeakPolarHBondContact CE-OE2 3.42Å; K42-E116 IonicContact NZ-OE1 3.52Å; K42-E116 IonicContact NZ-OE2 3.22Å; K42-E116 PolarHBondContact NZ-OE2 2.99Å; K42-L117 HydrophobicContact CB-CD1 4.32Å |
| 43 | G | 81.9 | Confident | 87.3 | Confident | 52 Ų | 52 | 66 Ų | 66 | 54% | 0.536 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | 12.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I39 M40 T41 R45 | I39-G43 PolarHBondContact O-N 3.36Å; M40-G43 WeakPolarHBondContact O-CA 3.46Å; M40-G43 PolarHBondContact O-N 2.88Å; T41-G43 PolarHBondContact O-N 3.32Å; G43-R45 PolarHBondContact O-N 3.41Å |
| 44 | Y | 81.1 | Confident | 87.5 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 28% | 0.282 | 30% | 0.301 | S | S | . | . | trans | -84.6 | 110.3 | 178.6 | -65.3 | -50.7 | 0 | 0 | 0 | 111.4 | I39 K42 F113 L117 | I39-Y44 PolarHBondContact O-N 3.13Å; I39-Y44 VanDerWaalsContact O-N 3.13Å; K42-Y44 HydrophobicContact CB-CD2 4.06Å; K42-Y44 HydrophobicContact CB-CE2 4.14Å; K42-Y44 HydrophobicContact CG-CD2 3.89Å; K42-Y44 HydrophobicContact CG-CE2 3.45Å; K42-Y44 VanDerWaalsContact CG-CE2 3.45Å; Y44-F113 AromaticContact CE2-CE2 3.87Å; Y44-F113 HydrophobicContact CE2-CE2 3.87Å; Y44-F113 AromaticContact CE2-CZ 3.68Å; Y44-F113 HydrophobicContact CE2-CZ 3.68Å; Y44-F113 AromaticContact CZ-CZ 3.9Å; Y44-F113 WeakPolarHBondContact OH-CE2 3.44Å; Y44-F113 VanDerWaalsContact OH-CZ 3.28Å; Y44-F113 WeakPolarHBondContact OH-CZ 3.41Å; Y44-L117 HydrophobicContact CD2-CD1 4.28Å; Y44-L117 HydrophobicContact CE2-CD1 4.34Å | ||
| 45 | R | 77 | Confident | 87.6 | Confident | 199 Ų | 199 | 57.5 Ų | 57.5 | 75% | 0.751 | 28% | 0.281 | S | S | * | . | trans | -95.4 | -44.8 | 176.3 | -62.1 | -174.2 | -179.8 | -165.2 | -0 | 112.9 | G43 | G43-R45 PolarHBondContact O-N 3.41Š| ||
| 46 | I | 80.3 | Confident | 87.7 | Confident | 125 Ų | 125 | 60.4 Ų | 60.4 | 64% | 0.641 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -120.6 | 127.4 | -174 | -59.4 | 170.5 | 0 | 0 | 0 | 108.8 | ||
| 47 | P | 84.6 | Confident | 87.9 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.013 | 31% | 0.305 | C | S | . | . | trans | -68.4 | 138.5 | 176 | 27.5 | -33.4 | 0 | 0 | 0 | 110.7 | G24 F26 M29 Q51 | G24-P47 WeakPolarHBondContact O-CD 3.3Å; G24-P47 WeakPolarHBondContact O-CG 3.49Å; F26-P47 HydrophobicContact CD1-CB 4.33Å; F26-P47 HydrophobicContact CD2-CB 4.39Å; F26-P47 HydrophobicContact CE1-CB 3.86Å; F26-P47 HydrophobicContact CE2-CB 3.92Å; F26-P47 HydrophobicContact CZ-CB 3.65Å; M29-P47 HydrophobicContact CE-CB 3.87Å; M29-P47 HydrophobicContact CE-CG 3.82Å; P47-Q51 HydrophobicContact CB-CB 3.93Å | ||
| 48 | T | 83 | Confident | 88.1 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | trans | -65.8 | 162.2 | 173.3 | 68.1 | 0 | 0 | 0 | 0 | 110.8 | I50 Q51 R52 S72 | T48-I50 PolarHBondContact O-N 2.77Å; T48-I50 VanDerWaalsContact O-N 3.13Å; T48-I50 WeakPolarHBondContact OG1-CG2 3.31Å; T48-Q51 WeakPolarHBondContact O-CB 3.39Å; T48-Q51 PolarHBondContact O-N 3.41Å; T48-Q51 VanDerWaalsContact OG1-CG 3.31Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.49Å; T48-Q51 PolarHBondContact OG1-OE1 2.83Å; T48-R52 PolarHBondContact O-N 2.98Å; T48-S72 WeakPolarHBondContact CB-O 3.46Å; T48-S72 WeakPolarHBondContact CG2-O 3.4Å; T48-S72 PolarHBondContact OG1-O 3.44Å | ||
| 49 | P | 84 | Confident | 88.3 | Confident | 84 Ų | 84 | 59.3 Ų | 59.3 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -53.8 | -36.6 | 179.7 | -29.3 | 36.6 | 0 | 0 | 0 | 113.9 | K53 L229 | P49-K53 PolarHBondContact O-N 3.44Å; P49-K53 VanDerWaalsContact O-N 3.14Å; P49-L229 HydrophobicContact CB-CD1 3.95Å; P49-L229 HydrophobicContact CB-CD2 4.36Å |
| 50 | I | 87.2 | Confident | 88.4 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.5 | -38.9 | 178.7 | -167.4 | 60.5 | 0 | 0 | 0 | 111.5 | T48 A54 A66 S72 K74 V227 L229 | T48-I50 PolarHBondContact O-N 2.77Å; T48-I50 VanDerWaalsContact O-N 3.13Å; T48-I50 WeakPolarHBondContact OG1-CG2 3.31Å; I50-A54 WeakPolarHBondContact O-CB 3.31Å; I50-A54 PolarHBondContact O-N 3.4Å; I50-A66 HydrophobicContact CD1-CB 4.23Å; I50-S72 WeakPolarHBondContact CG2-O 3.17Å; I50-K74 HydrophobicContact CG1-CG 4.44Å; I50-V227 HydrophobicContact CD1-CG1 4Å; I50-L229 HydrophobicContact CB-CD1 3.55Å; I50-L229 HydrophobicContact CD1-CD1 3.77Å; I50-L229 HydrophobicContact CD1-CG 4.11Å; I50-L229 HydrophobicContact CG1-CD1 4.23Å |
| 51 | Q | 90.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 1% | 0.014 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 176 | -69.1 | 162.8 | 3.5 | 0 | 0 | 110.7 | P47 T48 K53 I55 G73 A77 | P47-Q51 HydrophobicContact CB-CB 3.93Å; T48-Q51 WeakPolarHBondContact O-CB 3.39Å; T48-Q51 PolarHBondContact O-N 3.41Å; T48-Q51 VanDerWaalsContact OG1-CG 3.31Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.49Å; T48-Q51 PolarHBondContact OG1-OE1 2.83Å; Q51-K53 VanDerWaalsContact C-N 3.33Å; Q51-K53 PolarHBondContact O-N 3.1Å; Q51-I55 HydrophobicContact CB-CD1 3.72Å; Q51-I55 HydrophobicContact CB-CG1 4.39Å; Q51-I55 HydrophobicContact CG-CD1 4.26Å; Q51-I55 VanDerWaalsContact O-CB 3.23Å; Q51-I55 WeakPolarHBondContact O-CB 3.32Å; Q51-I55 WeakPolarHBondContact O-CD1 3.48Å; Q51-I55 WeakPolarHBondContact O-CG1 3.32Å; Q51-I55 PolarHBondContact O-N 3.31Å; Q51-G73 PolarHBondContact NE2-O 3.34Å; Q51-A77 HydrophobicContact CB-CB 4.48Å; Q51-A77 HydrophobicContact CG-CB 3.86Å |
| 52 | R | 89.8 | Confident | 88.8 | Confident | 127 Ų | 127 | 62.5 Ų | 62.5 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 179.7 | -166.5 | -177.5 | -57.9 | 169.4 | 4.7 | 112.7 | T48 P56 | T48-R52 PolarHBondContact O-N 2.98Å; R52-P56 VanDerWaalsContact O-CD 3.27Å; R52-P56 WeakPolarHBondContact O-CD 3.43Å; R52-P56 WeakPolarHBondContact O-CG 3.37Å |
| 53 | K | 90.6 | Very high | 89.4 | Confident | 114 Ų | 114 | 59 Ų | 59 | 50% | 0.496 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -81.9 | -45.6 | 177.5 | -68.7 | -165 | -175.6 | -175.4 | 0 | 112.8 | P49 Q51 L57 V227 L229 | P49-K53 PolarHBondContact O-N 3.44Å; P49-K53 VanDerWaalsContact O-N 3.14Å; Q51-K53 VanDerWaalsContact C-N 3.33Å; Q51-K53 PolarHBondContact O-N 3.1Å; K53-L57 WeakPolarHBondContact O-CD1 3.4Å; K53-L57 WeakPolarHBondContact O-CG 3.45Å; K53-V227 HydrophobicContact CB-CG1 3.87Å; K53-V227 HydrophobicContact CD-CG1 4.26Å; K53-L229 HydrophobicContact CD-CD2 3.72Å |
| 54 | A | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -79.4 | -41.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I50 L57 I58 A77 F205 | I50-A54 WeakPolarHBondContact O-CB 3.31Å; I50-A54 PolarHBondContact O-N 3.4Å; A54-L57 PolarHBondContact O-N 3.01Å; A54-L57 VanDerWaalsContact O-N 3.16Å; A54-I58 HydrophobicContact CB-CD1 4.11Å; A54-I58 WeakPolarHBondContact O-CD1 3.45Å; A54-I58 VanDerWaalsContact O-CG1 3.23Å; A54-I58 WeakPolarHBondContact O-CG1 3.32Å; A54-I58 PolarHBondContact O-N 3.33Å; A54-A77 HydrophobicContact CB-CB 4.36Å; A54-F205 HydrophobicContact CB-CZ 4.47Å |
| 55 | I | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.6 | -49.3 | -174.1 | -65.3 | 169.7 | 0 | 0 | 0 | 111.7 | F26 M29 Q51 L57 I58 L59 A77 I80 | F26-I55 HydrophobicContact CE1-CD1 4.02Å; M29-I55 HydrophobicContact CE-CD1 4.4Å; M29-I55 HydrophobicContact SD-CB 4.08Å; M29-I55 HydrophobicContact SD-CD1 4.03Å; M29-I55 HydrophobicContact SD-CG2 3.76Å; Q51-I55 HydrophobicContact CB-CD1 3.72Å; Q51-I55 HydrophobicContact CB-CG1 4.39Å; Q51-I55 HydrophobicContact CG-CD1 4.26Å; Q51-I55 VanDerWaalsContact O-CB 3.23Å; Q51-I55 WeakPolarHBondContact O-CB 3.32Å; Q51-I55 WeakPolarHBondContact O-CD1 3.48Å; Q51-I55 WeakPolarHBondContact O-CG1 3.32Å; Q51-I55 PolarHBondContact O-N 3.31Å; I55-L57 VanDerWaalsContact C-N 3.31Å; I55-L57 PolarHBondContact O-N 3.19Å; I55-I58 PolarHBondContact O-N 2.89Å; I55-L59 HydrophobicContact CG2-CD1 3.78Å; I55-L59 HydrophobicContact CG2-CG 4.11Å; I55-L59 WeakPolarHBondContact O-CB 3.42Å; I55-L59 VanDerWaalsContact O-CG 3.28Å; I55-L59 WeakPolarHBondContact O-CG 3.44Å; I55-L59 PolarHBondContact O-N 3.15Å; I55-A77 WeakPolarHBondContact CG1-O 3.4Å; I55-I80 HydrophobicContact CD1-CB 4.33Å; I55-I80 HydrophobicContact CD1-CD1 3.92Å; I55-I80 HydrophobicContact CD1-CG2 4.43Å; I55-I80 HydrophobicContact CG2-CG2 4.41Å |
| 56 | P | 93.7 | Very high | 91.6 | Very high | 64 Ų | 64 | 44 Ų | 44 | 42% | 0.416 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.5 | -35.7 | 179.4 | -23.9 | 35.8 | 0 | 0 | 0 | 113.7 | R52 S60 | R52-P56 VanDerWaalsContact O-CD 3.27Å; R52-P56 WeakPolarHBondContact O-CD 3.43Å; R52-P56 WeakPolarHBondContact O-CG 3.37Å; P56-S60 PolarHBondContact O-N 2.81Å |
| 57 | L | 94.5 | Very high | 92 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.9 | -43.2 | 177.6 | -66.5 | 172.4 | 0 | 0 | 0 | 111.1 | K53 A54 I55 S60 V64 T225 V227 | K53-L57 WeakPolarHBondContact O-CD1 3.4Å; K53-L57 WeakPolarHBondContact O-CG 3.45Å; A54-L57 PolarHBondContact O-N 3.01Å; A54-L57 VanDerWaalsContact O-N 3.16Å; I55-L57 VanDerWaalsContact C-N 3.31Å; I55-L57 PolarHBondContact O-N 3.19Å; L57-S60 PolarHBondContact O-N 2.84Å; L57-S60 PolarHBondContact O-OG 3.1Å; L57-V64 HydrophobicContact CB-CG2 4Å; L57-T225 HydrophobicContact CD1-CG2 3.92Å; L57-T225 HydrophobicContact CD2-CG2 4.42Å; L57-V227 HydrophobicContact CD1-CG2 3.37Å |
| 58 | I | 96.9 | Very high | 92 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 177.4 | -60.2 | 162.3 | 0 | 0 | 0 | 110.4 | A54 I55 S60 G61 V64 A77 P81 Y171 Q201 L203 F205 | A54-I58 HydrophobicContact CB-CD1 4.11Å; A54-I58 WeakPolarHBondContact O-CD1 3.45Å; A54-I58 VanDerWaalsContact O-CG1 3.23Å; A54-I58 WeakPolarHBondContact O-CG1 3.32Å; A54-I58 PolarHBondContact O-N 3.33Å; I55-I58 PolarHBondContact O-N 2.89Å; I58-S60 PolarHBondContact O-N 3.1Å; I58-S60 VanDerWaalsContact O-N 3.15Å; I58-G61 PolarHBondContact O-N 3.02Å; I58-V64 HydrophobicContact CG1-CB 4.32Å; I58-V64 HydrophobicContact CG1-CG2 3.9Å; I58-A77 WeakPolarHBondContact CD1-O 3.29Å; I58-P81 HydrophobicContact CB-CB 3.93Å; I58-P81 HydrophobicContact CB-CG 3.84Å; I58-P81 HydrophobicContact CD1-CG 3.98Å; I58-P81 HydrophobicContact CG2-CB 3.49Å; I58-P81 VanDerWaalsContact CG2-CB 3.49Å; I58-P81 HydrophobicContact CG2-CG 3.52Å; I58-Y171 HydrophobicContact CG2-CE2 3.8Å; I58-Y171 WeakPolarHBondContact CG2-OH 3.35Å; I58-Q201 PolarHBondContact O-NE2 3.02Å; I58-L203 HydrophobicContact CB-CD1 4.48Å; I58-L203 HydrophobicContact CD1-CD1 3.77Å; I58-L203 HydrophobicContact CG1-CD1 3.92Å; I58-L203 HydrophobicContact CG1-CD2 3.92Å; I58-L203 HydrophobicContact CG2-CD1 3.67Å; I58-L203 HydrophobicContact CG2-CD2 4.17Å; I58-F205 HydrophobicContact CD1-CE2 4.36Å; I58-F205 HydrophobicContact CD1-CZ 4Å |
| 59 | L | 94.7 | Very high | 91.5 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.4 | -22.6 | 175.7 | -72.4 | 177.4 | 0 | 0 | 0 | 113.3 | L31 I55 G61 P81 Q84 | L31-L59 HydrophobicContact CD2-CD1 4.02Å; I55-L59 HydrophobicContact CG2-CD1 3.78Å; I55-L59 HydrophobicContact CG2-CG 4.11Å; I55-L59 WeakPolarHBondContact O-CB 3.42Å; I55-L59 VanDerWaalsContact O-CG 3.28Å; I55-L59 WeakPolarHBondContact O-CG 3.44Å; I55-L59 PolarHBondContact O-N 3.15Å; L59-G61 PolarHBondContact O-N 2.82Å; L59-P81 HydrophobicContact CD2-CB 3.71Å; L59-P81 HydrophobicContact CG-CB 4.06Å; L59-Q84 HydrophobicContact CD2-CB 3.67Å; L59-Q84 HydrophobicContact CD2-CG 3.64Å |
| 60 | S | 93.3 | Very high | 90.9 | Very high | 72 Ų | 72 | 36.9 Ų | 36.9 | 50% | 0.503 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 1.1 | 174 | 74.4 | 0 | 0 | 0 | 0 | 114.3 | P56 L57 I58 K62 | P56-S60 PolarHBondContact O-N 2.81Å; L57-S60 PolarHBondContact O-N 2.84Å; L57-S60 PolarHBondContact O-OG 3.1Å; I58-S60 PolarHBondContact O-N 3.1Å; I58-S60 VanDerWaalsContact O-N 3.15Å; S60-K62 VanDerWaalsContact C-N 3.31Å; S60-K62 PolarHBondContact O-N 3.45Å |
| 61 | G | 93.8 | Very high | 90 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 50% | 0.495 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 2.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I58 L59 Q201 | I58-G61 PolarHBondContact O-N 3.02Å; L59-G61 PolarHBondContact O-N 2.82Å; G61-Q201 VanDerWaalsContact C-NE2 3.28Å |
| 62 | K | 94.3 | Very high | 89.3 | Confident | 112 Ų | 112 | 41.2 Ų | 41.2 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | trans | -75.5 | 148.2 | -180 | -66 | -175.6 | 178.1 | -166.1 | 0 | 112.5 | S60 Q201 | S60-K62 VanDerWaalsContact C-N 3.31Å; S60-K62 PolarHBondContact O-N 3.45Å; K62-Q201 PolarHBondContact O-NE2 2.95Å | ||
| 63 | D | 97.2 | Very high | 89 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | trans | -67.9 | 141.1 | 164.4 | -76.6 | 5.3 | 0 | 0 | 0 | 110 | Q201 T202 L221 S222 P224 T225 | D63-Q201 WeakPolarHBondContact OD1-CA 3.13Å; D63-T202 WeakPolarHBondContact CA-O 3.37Å; D63-T202 WeakPolarHBondContact CB-O 3.49Å; D63-T202 PolarHBondContact OD1-N 3.24Å; D63-L221 HydrophobicContact CB-CB 4.15Å; D63-L221 HydrophobicContact CB-CD2 4.22Å; D63-L221 HydrophobicContact CB-CG 4.25Å; D63-L221 VanDerWaalsContact OD2-CA 3.24Å; D63-L221 WeakPolarHBondContact OD2-CA 3Å; D63-L221 VanDerWaalsContact OD2-CB 3.28Å; D63-L221 WeakPolarHBondContact OD2-CB 3.28Å; D63-S222 PolarHBondContact OD2-N 2.98Å; D63-P224 HydrophobicContact CB-CB 4.11Å; D63-P224 WeakPolarHBondContact O-CA 3.39Å; D63-T225 PolarHBondContact O-N 3.08Å | ||
| 64 | V | 96.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 129.8 | -175.4 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | L57 I58 A66 T202 L203 L204 T225 V227 | L57-V64 HydrophobicContact CB-CG2 4Å; I58-V64 HydrophobicContact CG1-CB 4.32Å; I58-V64 HydrophobicContact CG1-CG2 3.9Å; V64-A66 HydrophobicContact CG1-CB 4.22Å; V64-T202 PolarHBondContact N-O 3.3Å; V64-L203 HydrophobicContact CB-CD2 3.95Å; V64-L203 HydrophobicContact CG2-CD2 4.26Å; V64-L203 CarbonylContact O-C 3.56Å; V64-L203 WeakPolarHBondContact O-CA 3.38Å; V64-L204 PolarHBondContact O-N 3.12Å; V64-T225 WeakPolarHBondContact CA-O 3.46Å; V64-V227 HydrophobicContact CG1-CB 4.46Å; V64-V227 HydrophobicContact CG1-CG2 3.88Å |
| 65 | V | 95.8 | Very high | 88.8 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 107.4 | 165.4 | -177.9 | 0 | 0 | 0 | 0 | 108 | L204 L209 A217 L221 P224 T225 L226 V227 | V65-L204 CarbonylContact C-O 3.52Å; V65-L204 WeakPolarHBondContact CA-O 3.37Å; V65-L204 HydrophobicContact CB-CB 4.5Å; V65-L204 HydrophobicContact CG1-CB 4.27Å; V65-L204 HydrophobicContact CG2-CB 4.17Å; V65-L204 HydrophobicContact CG2-CD1 4.05Å; V65-L204 HydrophobicContact CG2-CG 4.39Å; V65-L209 HydrophobicContact CG1-CD1 4.27Å; V65-A217 HydrophobicContact CG2-CB 4.34Å; V65-L221 HydrophobicContact CG2-CD2 3.81Å; V65-P224 HydrophobicContact CG2-CB 4.04Å; V65-T225 PolarHBondContact N-O 2.55Å; V65-L226 HydrophobicContact CB-CD1 3.8Å; V65-L226 HydrophobicContact CG1-CD1 3.68Å; V65-V227 PolarHBondContact O-N 3.16Å |
| 66 | A | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 114.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I50 V64 L204 F205 S206 V227 | I50-A66 HydrophobicContact CD1-CB 4.23Å; V64-A66 HydrophobicContact CG1-CB 4.22Å; A66-L204 PolarHBondContact N-O 3.42Å; A66-F205 HydrophobicContact CB-CD1 3.57Å; A66-F205 HydrophobicContact CB-CE1 3.44Å; A66-F205 VanDerWaalsContact CB-CE1 3.44Å; A66-F205 HydrophobicContact CB-CE2 4.36Å; A66-F205 HydrophobicContact CB-CG 4.14Å; A66-F205 HydrophobicContact CB-CZ 3.88Å; A66-F205 WeakPolarHBondContact O-CA 3.19Å; A66-S206 PolarHBondContact O-N 2.98Å; A66-V227 WeakPolarHBondContact CA-O 3.42Å |
| 67 | M | 89.3 | Confident | 88.8 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.4 | 176.4 | -67.2 | -169.3 | -66.7 | 0 | 0 | 111.8 | S206 L209 L226 V227 R228 L229 V231 | M67-S206 WeakPolarHBondContact CA-O 3.22Å; M67-L209 HydrophobicContact CE-CD2 4.37Å; M67-L209 HydrophobicContact CG-CB 4.45Å; M67-L209 HydrophobicContact SD-CB 3.34Å; M67-L209 WeakPolarHBondContact SD-CB 3.37Å; M67-L209 HydrophobicContact SD-CD2 4.05Å; M67-L209 HydrophobicContact SD-CG 4.3Å; M67-L226 HydrophobicContact CE-CD1 3.93Å; M67-L226 HydrophobicContact CE-CD2 4.32Å; M67-L226 HydrophobicContact CE-CG 4.35Å; M67-V227 PolarHBondContact N-O 3.29Å; M67-R228 HydrophobicContact CE-CB 3.79Å; M67-R228 HydrophobicContact CE-CG 3.69Å; M67-L229 PolarHBondContact O-N 3.46Å; M67-V231 HydrophobicContact CB-CG2 4.2Å |
| 68 | S | 83.1 | Confident | 88.9 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | trans | -161.2 | 158.4 | 172.6 | 68.6 | 0 | 0 | 0 | 0 | 113 | S72 K74 S206 A207 | S68-S72 PolarHBondContact OG-OG 3.47Å; S68-K74 PolarHBondContact O-NZ 2.9Å; S68-K74 VanDerWaalsContact OG-CD 3.23Å; S68-K74 WeakPolarHBondContact OG-CD 3.41Å; S68-K74 WeakPolarHBondContact OG-CG 3Å; S68-S206 PolarHBondContact N-O 3.46Å; S68-A207 WeakPolarHBondContact O-CA 3.45Å | ||
| 69 | R | 72.6 | Confident | 88.9 | Confident | 66 Ų | 66 | 27.9 Ų | 27.9 | 25% | 0.249 | 18% | 0.181 | C | C | . | . | trans | -58.9 | 155.9 | 176.3 | -172.1 | 173.4 | 176.5 | -155.5 | -6.6 | 112.2 | S72 K234 | R69-S72 VanDerWaalsContact O-CB 3.32Å; R69-S72 WeakPolarHBondContact O-CB 3.33Å; R69-S72 PolarHBondContact O-N 3.04Å; R69-S72 PolarHBondContact O-OG 3.31Å; R69-K234 PolarHBondContact NH1-O 3.45Å | ||
| 70 | T | 72.7 | Confident | 89 | Confident | 32 Ų | 32 | 24.9 Ų | 24.9 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 141.3 | 170.7 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | S72 H354 | T70-S72 VanDerWaalsContact C-N 3.27Å; T70-S72 PolarHBondContact O-N 3.3Å; T70-H354 WeakPolarHBondContact CG2-ND1 3.44Å |
| 71 | G | 68.6 | Low | 89.1 | Confident | 64 Ų | 64 | 21.6 Ų | 21.6 | 66% | 0.66 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 1.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | G73 | G71-G73 PolarHBondContact O-N 3.5Š|
| 72 | S | 74.5 | Confident | 89.3 | Confident | 30 Ų | 30 | 19.3 Ų | 19.3 | 21% | 0.21 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -70.3 | -5.4 | 174.8 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | T48 I50 S68 R69 T70 | T48-S72 WeakPolarHBondContact CB-O 3.46Å; T48-S72 WeakPolarHBondContact CG2-O 3.4Å; T48-S72 PolarHBondContact OG1-O 3.44Å; I50-S72 WeakPolarHBondContact CG2-O 3.17Å; S68-S72 PolarHBondContact OG-OG 3.47Å; R69-S72 VanDerWaalsContact O-CB 3.32Å; R69-S72 WeakPolarHBondContact O-CB 3.33Å; R69-S72 PolarHBondContact O-N 3.04Å; R69-S72 PolarHBondContact O-OG 3.31Å; T70-S72 VanDerWaalsContact C-N 3.27Å; T70-S72 PolarHBondContact O-N 3.3Å |
| 73 | G | 82.4 | Confident | 89.4 | Confident | 23 Ų | 23 | 14 Ų | 14 | 24% | 0.237 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 91.7 | 23.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q51 G71 T75 A76 A77 | Q51-G73 PolarHBondContact NE2-O 3.34Å; G71-G73 PolarHBondContact O-N 3.5Å; G73-T75 VanDerWaalsContact C-N 3.32Å; G73-T75 PolarHBondContact O-N 3.11Å; G73-A76 PolarHBondContact O-N 3.07Å; G73-A77 PolarHBondContact O-N 3.2Å |
| 74 | K | 89.6 | Confident | 89.2 | Confident | 15 Ų | 15 | 15.8 Ų | 15.8 | 7% | 0.065 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -52 | -43.6 | 178.5 | -71.4 | -171.1 | -77.1 | -159.5 | 0 | 113.9 | I50 S68 A76 A77 F78 F205 S206 | I50-K74 HydrophobicContact CG1-CG 4.44Å; S68-K74 PolarHBondContact O-NZ 2.9Å; S68-K74 VanDerWaalsContact OG-CD 3.23Å; S68-K74 WeakPolarHBondContact OG-CD 3.41Å; S68-K74 WeakPolarHBondContact OG-CG 3Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3Å; K74-A77 WeakPolarHBondContact O-CA 3.29Å; K74-A77 VanDerWaalsContact O-CB 3.23Å; K74-A77 WeakPolarHBondContact O-CB 3.4Å; K74-A77 PolarHBondContact O-N 3.5Å; K74-F78 WeakPolarHBondContact O-CD1 3.27Å; K74-F78 PolarHBondContact O-N 3.29Å; K74-F205 HydrophobicContact CB-CD1 3.8Å; K74-F205 HydrophobicContact CB-CE1 4.36Å; K74-F205 HydrophobicContact CD-CB 4.31Å; K74-F205 HydrophobicContact CD-CD1 3.93Å; K74-F205 HydrophobicContact CG-CD1 3.86Å; K74-F205 HydrophobicContact CG-CE1 4.48Å; K74-S206 PolarHBondContact NZ-O 3.04Å |
| 75 | T | 92.1 | Very high | 89 | Confident | 37 Ų | 37 | 18.9 Ų | 18.9 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | -176.3 | -39.3 | 0 | 0 | 0 | 0 | 111.9 | G73 A77 F78 L79 T110 F113 | G73-T75 VanDerWaalsContact C-N 3.32Å; G73-T75 PolarHBondContact O-N 3.11Å; T75-A77 VanDerWaalsContact C-N 3.28Å; T75-A77 PolarHBondContact O-N 2.59Å; T75-F78 VanDerWaalsContact CA-CE1 3.49Å; T75-F78 HydrophobicContact CG2-CE1 4.37Å; T75-F78 HydrophobicContact CG2-CE2 4.13Å; T75-F78 HydrophobicContact CG2-CZ 3.7Å; T75-F78 PolarHBondContact O-N 2.78Å; T75-L79 HydrophobicContact CG2-CD1 3.94Å; T75-L79 HydrophobicContact CG2-CG 4.35Å; T75-L79 WeakPolarHBondContact O-CB 3.14Å; T75-L79 WeakPolarHBondContact O-CG 3.46Å; T75-L79 PolarHBondContact O-N 3.23Å; T75-T110 HydrophobicContact CG2-CG2 4.06Å; T75-F113 HydrophobicContact CG2-CD1 3.54Å; T75-F113 HydrophobicContact CG2-CE1 4.06Å |
| 76 | A | 92.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69 | -29.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G73 K74 F78 L79 I80 F113 L117 | G73-A76 PolarHBondContact O-N 3.07Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3Å; A76-F78 VanDerWaalsContact C-N 3.27Å; A76-F78 PolarHBondContact O-N 2.78Å; A76-L79 PolarHBondContact O-N 2.97Å; A76-I80 HydrophobicContact CB-CD1 4.15Å; A76-I80 WeakPolarHBondContact O-CB 3.31Å; A76-I80 WeakPolarHBondContact O-CD1 3.36Å; A76-I80 VanDerWaalsContact O-CG1 3.24Å; A76-I80 WeakPolarHBondContact O-CG1 3.41Å; A76-I80 PolarHBondContact O-N 2.64Å; A76-I80 VanDerWaalsContact O-N 3.09Å; A76-F113 HydrophobicContact CB-CE1 3.85Å; A76-F113 HydrophobicContact CB-CZ 3.96Å; A76-L117 HydrophobicContact CB-CD2 4.48Å |
| 77 | A | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.9 | -31.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q51 A54 I55 I58 G73 K74 T75 P81 F205 | Q51-A77 HydrophobicContact CB-CB 4.48Å; Q51-A77 HydrophobicContact CG-CB 3.86Å; A54-A77 HydrophobicContact CB-CB 4.36Å; I55-A77 WeakPolarHBondContact CG1-O 3.4Å; I58-A77 WeakPolarHBondContact CD1-O 3.29Å; G73-A77 PolarHBondContact O-N 3.2Å; K74-A77 WeakPolarHBondContact O-CA 3.29Å; K74-A77 VanDerWaalsContact O-CB 3.23Å; K74-A77 WeakPolarHBondContact O-CB 3.4Å; K74-A77 PolarHBondContact O-N 3.5Å; T75-A77 VanDerWaalsContact C-N 3.28Å; T75-A77 PolarHBondContact O-N 2.59Å; A77-P81 WeakPolarHBondContact O-CD 3.35Å; A77-P81 WeakPolarHBondContact O-CG 3.45Å; A77-F205 HydrophobicContact CB-CE1 3.98Å; A77-F205 HydrophobicContact CB-CZ 4.22Å |
| 78 | F | 97 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -99.8 | -21.7 | 173.5 | 62.7 | -109.8 | 0 | 0 | 0 | 114.6 | K74 T75 A76 M82 I99 T110 Y171 V173 D175 L203 F205 | K74-F78 WeakPolarHBondContact O-CD1 3.27Å; K74-F78 PolarHBondContact O-N 3.29Å; T75-F78 VanDerWaalsContact CA-CE1 3.49Å; T75-F78 HydrophobicContact CG2-CE1 4.37Å; T75-F78 HydrophobicContact CG2-CE2 4.13Å; T75-F78 HydrophobicContact CG2-CZ 3.7Å; T75-F78 PolarHBondContact O-N 2.78Å; A76-F78 VanDerWaalsContact C-N 3.27Å; A76-F78 PolarHBondContact O-N 2.78Å; F78-M82 WeakPolarHBondContact O-CB 3.43Å; F78-M82 PolarHBondContact O-N 2.88Å; F78-I99 HydrophobicContact CE2-CD1 4.11Å; F78-I99 HydrophobicContact CE2-CG2 4.34Å; F78-T110 HydrophobicContact CE2-CG2 4.27Å; F78-T110 HydrophobicContact CZ-CG2 4.44Å; F78-Y171 PolarHBondContact O-OH 3.27Å; F78-V173 HydrophobicContact CB-CG1 4.24Å; F78-V173 HydrophobicContact CB-CG2 4.17Å; F78-V173 HydrophobicContact CD1-CG1 3.89Å; F78-V173 HydrophobicContact CD2-CB 4.45Å; F78-V173 HydrophobicContact CD2-CG1 3.92Å; F78-V173 HydrophobicContact CD2-CG2 4.08Å; F78-V173 HydrophobicContact CE1-CG1 4.1Å; F78-V173 HydrophobicContact CE2-CG1 4.17Å; F78-V173 HydrophobicContact CG-CG1 3.78Å; F78-V173 HydrophobicContact CG-CG2 4.27Å; F78-V173 HydrophobicContact CZ-CG1 4.25Å; F78-D175 HydrophobicContact CE1-CB 4.44Å; F78-D175 HydrophobicContact CZ-CB 4.4Å; F78-L203 HydrophobicContact CB-CD1 4.1Å; F78-F205 HydrophobicContact CB-CD2 4.16Å; F78-F205 HydrophobicContact CB-CE2 3.53Å; F78-F205 HydrophobicContact CB-CZ 3.86Å; F78-F205 HydrophobicContact CD1-CD1 4.24Å; F78-F205 AromaticContact CD1-CD2 3.67Å; F78-F205 HydrophobicContact CD1-CD2 3.67Å; F78-F205 HydrophobicContact CD1-CE1 4.34Å; F78-F205 AromaticContact CD1-CE2 3.82Å; F78-F205 HydrophobicContact CD1-CE2 3.82Å; F78-F205 AromaticContact CD1-CG 3.88Å; F78-F205 HydrophobicContact CD1-CG 3.88Å; F78-F205 HydrophobicContact CD1-CZ 4.13Å; F78-F205 HydrophobicContact CE1-CD2 4.49Å; F78-F205 HydrophobicContact CE1-CG 4.43Å; F78-F205 HydrophobicContact CG-CD2 4.32Å; F78-F205 HydrophobicContact CG-CE2 4.14Å |
| 79 | L | 97.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -77.6 | -39.8 | 178.8 | -71.9 | -174.9 | 0 | 0 | 0 | 113.2 | T75 A76 M82 F83 I99 F113 V114 L117 | T75-L79 HydrophobicContact CG2-CD1 3.94Å; T75-L79 HydrophobicContact CG2-CG 4.35Å; T75-L79 WeakPolarHBondContact O-CB 3.14Å; T75-L79 WeakPolarHBondContact O-CG 3.46Å; T75-L79 PolarHBondContact O-N 3.23Å; A76-L79 PolarHBondContact O-N 2.97Å; L79-M82 HydrophobicContact CD2-CE 3.68Å; L79-M82 HydrophobicContact CD2-SD 4.23Å; L79-M82 WeakPolarHBondContact O-CB 3.31Å; L79-M82 PolarHBondContact O-N 2.69Å; L79-F83 HydrophobicContact CB-CE2 4.25Å; L79-F83 HydrophobicContact CB-CZ 4.5Å; L79-F83 VanDerWaalsContact O-CD2 3.23Å; L79-F83 WeakPolarHBondContact O-CD2 3.45Å; L79-F83 WeakPolarHBondContact O-CG 3.2Å; L79-F83 PolarHBondContact O-N 3.25Å; L79-I99 HydrophobicContact CD2-CD1 3.54Å; L79-F113 HydrophobicContact CD1-CB 4.47Å; L79-F113 HydrophobicContact CD1-CD1 3.49Å; L79-F113 VanDerWaalsContact CD1-CD1 3.49Å; L79-F113 HydrophobicContact CD1-CE1 4.08Å; L79-F113 HydrophobicContact CD1-CG 4.29Å; L79-V114 HydrophobicContact CD1-CG2 3.65Å; L79-V114 HydrophobicContact CD2-CG2 3.46Å; L79-V114 VanDerWaalsContact CD2-CG2 3.46Å; L79-V114 HydrophobicContact CG-CG2 4.2Å; L79-L117 HydrophobicContact CB-CD2 4.18Å |
| 80 | I | 95.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.7 | -53.2 | 179 | -67.6 | 169.9 | 0 | 0 | 0 | 111.5 | F26 L31 I35 I39 I55 A76 M82 F83 Q84 L117 | F26-I80 HydrophobicContact CD1-CD1 4.13Å; F26-I80 HydrophobicContact CE1-CD1 3.48Å; F26-I80 VanDerWaalsContact CE1-CD1 3.48Å; F26-I80 HydrophobicContact CZ-CD1 4.25Å; L31-I80 HydrophobicContact CD1-CG2 3.65Å; L31-I80 HydrophobicContact CD2-CG2 3.71Å; L31-I80 HydrophobicContact CG-CG2 4.34Å; I35-I80 HydrophobicContact CG2-CG2 4.17Å; I39-I80 HydrophobicContact CD1-CD1 3.75Å; I39-I80 HydrophobicContact CD1-CG1 4.02Å; I39-I80 HydrophobicContact CD1-CG2 4.11Å; I39-I80 HydrophobicContact CG1-CD1 4.07Å; I39-I80 HydrophobicContact CG1-CG1 4.27Å; I55-I80 HydrophobicContact CD1-CB 4.33Å; I55-I80 HydrophobicContact CD1-CD1 3.92Å; I55-I80 HydrophobicContact CD1-CG2 4.43Å; I55-I80 HydrophobicContact CG2-CG2 4.41Å; A76-I80 HydrophobicContact CB-CD1 4.15Å; A76-I80 WeakPolarHBondContact O-CB 3.31Å; A76-I80 WeakPolarHBondContact O-CD1 3.36Å; A76-I80 VanDerWaalsContact O-CG1 3.24Å; A76-I80 WeakPolarHBondContact O-CG1 3.41Å; A76-I80 PolarHBondContact O-N 2.64Å; A76-I80 VanDerWaalsContact O-N 3.09Å; I80-M82 VanDerWaalsContact C-N 3.32Å; I80-M82 PolarHBondContact O-N 3.45Å; I80-F83 PolarHBondContact O-N 3.26Å; I80-Q84 PolarHBondContact O-N 2.97Å; I80-L117 HydrophobicContact CG1-CD2 3.83Å |
| 81 | P | 96.4 | Very high | 89 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.3 | -30.1 | 177.3 | 23.7 | -32.9 | 0 | 0 | 0 | 113.3 | I58 L59 A77 F83 Q84 S85 | I58-P81 HydrophobicContact CB-CB 3.93Å; I58-P81 HydrophobicContact CB-CG 3.84Å; I58-P81 HydrophobicContact CD1-CG 3.98Å; I58-P81 HydrophobicContact CG2-CB 3.49Å; I58-P81 VanDerWaalsContact CG2-CB 3.49Å; I58-P81 HydrophobicContact CG2-CG 3.52Å; L59-P81 HydrophobicContact CD2-CB 3.71Å; L59-P81 HydrophobicContact CG-CB 4.06Å; A77-P81 WeakPolarHBondContact O-CD 3.35Å; A77-P81 WeakPolarHBondContact O-CG 3.45Å; P81-F83 VanDerWaalsContact C-N 3.33Å; P81-F83 PolarHBondContact O-N 3.15Å; P81-Q84 PolarHBondContact O-N 3.41Å; P81-S85 WeakPolarHBondContact O-CB 3.47Å; P81-S85 PolarHBondContact O-N 3.31Å |
| 82 | M | 97.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 172.2 | -174.9 | -170.7 | 72.7 | 0 | 0 | 111.2 | F78 L79 I80 Q84 S85 L86 A97 I99 V114 V147 Y171 | F78-M82 WeakPolarHBondContact O-CB 3.43Å; F78-M82 PolarHBondContact O-N 2.88Å; L79-M82 HydrophobicContact CD2-CE 3.68Å; L79-M82 HydrophobicContact CD2-SD 4.23Å; L79-M82 WeakPolarHBondContact O-CB 3.31Å; L79-M82 PolarHBondContact O-N 2.69Å; I80-M82 VanDerWaalsContact C-N 3.32Å; I80-M82 PolarHBondContact O-N 3.45Å; M82-Q84 VanDerWaalsContact C-N 3.31Å; M82-Q84 PolarHBondContact O-N 3.02Å; M82-S85 PolarHBondContact O-N 3.5Å; M82-L86 HydrophobicContact CG-CD1 4.03Å; M82-L86 HydrophobicContact CG-CG 4.43Å; M82-L86 WeakPolarHBondContact O-CB 3.45Å; M82-L86 WeakPolarHBondContact O-CG 3.15Å; M82-L86 PolarHBondContact O-N 3.23Å; M82-A97 HydrophobicContact CG-CB 3.88Å; M82-A97 HydrophobicContact SD-CB 3.71Å; M82-I99 HydrophobicContact CE-CD1 4.48Å; M82-I99 HydrophobicContact SD-CD1 3.91Å; M82-I99 HydrophobicContact SD-CG1 4.45Å; M82-V114 HydrophobicContact CE-CG2 4.45Å; M82-V147 HydrophobicContact CE-CG1 3.99Å; M82-V147 HydrophobicContact CE-CG2 3.92Å; M82-V147 HydrophobicContact SD-CG1 3.97Å; M82-V147 HydrophobicContact SD-CG2 4.27Å; M82-Y171 HydrophobicContact CB-CD1 3.95Å; M82-Y171 HydrophobicContact CB-CE1 3.5Å; M82-Y171 VanDerWaalsContact CB-CE1 3.5Å; M82-Y171 HydrophobicContact CB-CE2 4.44Å; M82-Y171 HydrophobicContact CG-CD1 3.67Å; M82-Y171 HydrophobicContact CG-CE1 3.74Å; M82-Y171 HydrophobicContact CG-CG 4.27Å; M82-Y171 HydrophobicContact SD-CD1 4.32Å; M82-Y171 HydrophobicContact SD-CE1 4.38Å |
| 83 | F | 96.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 176.2 | -61.3 | -38 | 0 | 0 | 0 | 112.1 | I35 L79 I80 P81 L86 K87 V114 L117 V121 L123 | I35-F83 HydrophobicContact CD1-CB 3.76Å; I35-F83 HydrophobicContact CG1-CB 3.89Å; L79-F83 HydrophobicContact CB-CE2 4.25Å; L79-F83 HydrophobicContact CB-CZ 4.5Å; L79-F83 VanDerWaalsContact O-CD2 3.23Å; L79-F83 WeakPolarHBondContact O-CD2 3.45Å; L79-F83 WeakPolarHBondContact O-CG 3.2Å; L79-F83 PolarHBondContact O-N 3.25Å; I80-F83 PolarHBondContact O-N 3.26Å; P81-F83 VanDerWaalsContact C-N 3.33Å; P81-F83 PolarHBondContact O-N 3.15Å; F83-L86 PolarHBondContact O-N 2.96Å; F83-K87 PolarHBondContact O-N 3.35Å; F83-V114 HydrophobicContact CE1-CG1 4.11Å; F83-V114 HydrophobicContact CZ-CB 4.49Å; F83-V114 HydrophobicContact CZ-CG1 4.16Å; F83-L117 HydrophobicContact CE2-CB 3.95Å; F83-L117 HydrophobicContact CE2-CD2 3.93Å; F83-L117 HydrophobicContact CE2-CG 3.87Å; F83-V121 HydrophobicContact CB-CG1 4.48Å; F83-V121 HydrophobicContact CB-CG2 4.31Å; F83-V121 HydrophobicContact CG-CG2 4.39Å; F83-L123 HydrophobicContact CD1-CD1 3.69Å; F83-L123 HydrophobicContact CE1-CD1 4.27Å |
| 84 | Q | 93.9 | Very high | 89.9 | Confident | 45 Ų | 45 | 38.8 Ų | 38.8 | 21% | 0.21 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.1 | -38.4 | 177.2 | -172.3 | 71.3 | 31.7 | 0 | 0 | 112.1 | I35 L59 I80 P81 M82 K87 | I35-Q84 HydrophobicContact CD1-CB 3.93Å; I35-Q84 VanDerWaalsContact CD1-OE1 3.3Å; L59-Q84 HydrophobicContact CD2-CB 3.67Å; L59-Q84 HydrophobicContact CD2-CG 3.64Å; I80-Q84 PolarHBondContact O-N 2.97Å; P81-Q84 PolarHBondContact O-N 3.41Å; M82-Q84 VanDerWaalsContact C-N 3.31Å; M82-Q84 PolarHBondContact O-N 3.02Å; Q84-K87 VanDerWaalsContact O-CG 3.28Å; Q84-K87 WeakPolarHBondContact O-CG 3.36Å |
| 85 | S | 92.7 | Very high | 90.1 | Very high | 64 Ų | 64 | 38.2 Ų | 38.2 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.5 | -42.8 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | P81 M82 | P81-S85 WeakPolarHBondContact O-CB 3.47Å; P81-S85 PolarHBondContact O-N 3.31Å; M82-S85 PolarHBondContact O-N 3.5Å |
| 86 | L | 92.5 | Very high | 90.3 | Very high | 9 Ų | 9 | 38 Ų | 38 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -79 | -26.6 | -178.5 | -64.3 | -178.3 | 0 | 0 | 0 | 114 | M82 F83 C88 R96 A97 L123 V147 | M82-L86 HydrophobicContact CG-CD1 4.03Å; M82-L86 HydrophobicContact CG-CG 4.43Å; M82-L86 WeakPolarHBondContact O-CB 3.45Å; M82-L86 WeakPolarHBondContact O-CG 3.15Å; M82-L86 PolarHBondContact O-N 3.23Å; F83-L86 PolarHBondContact O-N 2.96Å; L86-C88 PolarHBondContact O-N 3.28Å; L86-C88 VanDerWaalsContact O-O 3.11Å; L86-R96 HydrophobicContact CD2-CB 3.45Å; L86-R96 VanDerWaalsContact CD2-CB 3.45Å; L86-R96 HydrophobicContact CD2-CG 4.48Å; L86-R96 PolarHBondContact O-NH1 3.1Å; L86-A97 HydrophobicContact CD1-CB 3.86Å; L86-L123 HydrophobicContact CB-CD1 3.91Å; L86-L123 HydrophobicContact CB-CD2 4.11Å; L86-L123 HydrophobicContact CD1-CD1 3.87Å; L86-V147 HydrophobicContact CD1-CG2 3.67Å |
| 87 | K | 86.1 | Confident | 90.5 | Very high | 143 Ų | 143 | 38 Ų | 38 | 62% | 0.622 | 22% | 0.215 | S | C | * | . | trans | 55.4 | -85.2 | -178.6 | -59.9 | -176.4 | 179.7 | -177.7 | 0 | 114.6 | F83 Q84 V121 | F83-K87 PolarHBondContact O-N 3.35Å; Q84-K87 VanDerWaalsContact O-CG 3.28Å; Q84-K87 WeakPolarHBondContact O-CG 3.36Å; K87-V121 WeakPolarHBondContact O-CG1 3.41Å | ||
| 88 | C | 85 | Confident | 90.7 | Very high | 84 Ų | 84 | 38 Ų | 38 | 57% | 0.568 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -120.5 | 165.1 | -175.7 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | L86 R96 | L86-C88 PolarHBondContact O-N 3.28Å; L86-C88 VanDerWaalsContact O-O 3.11Å; C88-R96 PolarHBondContact O-NH2 2.57Å |
| 89 | R | 83.9 | Confident | 90.7 | Very high | 115 Ų | 115 | 38 Ų | 38 | 43% | 0.434 | 22% | 0.215 | S | C | . | . | trans | -66.8 | 133.3 | 176.6 | 178.7 | 172.6 | -178.9 | -102.8 | -2.4 | 110.4 | ||||
| 90 | N | 82.9 | Confident | 90.7 | Very high | 62 Ų | 62 | 38 Ų | 38 | 33% | 0.332 | 22% | 0.215 | S | C | . | . | trans | -121.6 | 102.5 | 170.9 | -175.3 | -14.4 | 0 | 0 | 0 | 109.4 | A92 V93 D146 | N90-A92 VanDerWaalsContact C-N 3.26Å; N90-A92 PolarHBondContact O-N 2.75Å; N90-A92 WeakPolarHBondContact OD1-CB 3.29Å; N90-A92 PolarHBondContact OD1-N 3.38Å; N90-V93 WeakPolarHBondContact ND2-CG2 3.27Å; N90-V93 PolarHBondContact O-N 3.24Å; N90-V93 PolarHBondContact OD1-N 2.82Å; N90-D146 PolarHBondContact N-OD1 3.48Å | ||
| 91 | P | 77.7 | Confident | 90.7 | Very high | 69 Ų | 69 | 38 Ų | 38 | 45% | 0.448 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16.9 | -178.7 | 28.7 | -33.7 | 0 | 0 | 0 | 114.3 | ||
| 92 | A | 80.2 | Confident | 90.4 | Very high | 93 Ų | 93 | 38.3 Ų | 38.3 | 77% | 0.769 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -27.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N90 | N90-A92 VanDerWaalsContact C-N 3.26Å; N90-A92 PolarHBondContact O-N 2.75Å; N90-A92 WeakPolarHBondContact OD1-CB 3.29Å; N90-A92 PolarHBondContact OD1-N 3.38Å |
| 93 | V | 79.2 | Confident | 90 | Very high | 43 Ų | 43 | 39.2 Ų | 39.2 | 26% | 0.261 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -101.7 | 134.9 | 177.4 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | N90 R96 | N90-V93 WeakPolarHBondContact ND2-CG2 3.27Å; N90-V93 PolarHBondContact O-N 3.24Å; N90-V93 PolarHBondContact OD1-N 2.82Å; V93-R96 HydrophobicContact CB-CG 4.38Å; V93-R96 HydrophobicContact CG1-CG 3.66Å |
| 94 | C | 84.7 | Confident | 89.5 | Confident | 32 Ų | 32 | 41.7 Ų | 41.7 | 22% | 0.216 | 23% | 0.231 | C | C | . | . | trans | -74.4 | -134.4 | 177.9 | -164.8 | 0 | 0 | 0 | 0 | 110.3 | R96 P145 | C94-R96 PolarHBondContact O-N 3.41Å; C94-P145 CarbonylContact C-O 3.48Å | ||
| 95 | I | 94.5 | Very high | 89 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | trans | -64.6 | 122.6 | -178.3 | -58.2 | 152.4 | 0 | 0 | 0 | 110.2 | A97 P145 L148 L164 L166 S168 V169 | I95-A97 WeakPolarHBondContact CG2-O 3.47Å; I95-P145 WeakPolarHBondContact CA-O 3.32Å; I95-P145 HydrophobicContact CG1-CG 4.32Å; I95-P145 PolarHBondContact N-O 3.19Å; I95-L148 HydrophobicContact CD1-CB 4.31Å; I95-L148 HydrophobicContact CD1-CD2 3.69Å; I95-L148 HydrophobicContact CG1-CB 4.24Å; I95-L148 HydrophobicContact CG2-CB 3.58Å; I95-L148 HydrophobicContact CG2-CD2 4.49Å; I95-L164 HydrophobicContact CD1-CD1 4.47Å; I95-L164 HydrophobicContact CD1-CD2 3.86Å; I95-L164 HydrophobicContact CD1-CG 4.46Å; I95-L166 HydrophobicContact CD1-CD2 4.37Å; I95-S168 CarbonylContact O-C 3.38Å; I95-V169 HydrophobicContact CB-CG2 4.32Å; I95-V169 HydrophobicContact CG2-CG2 3.92Å; I95-V169 WeakPolarHBondContact O-CG2 3.34Å; I95-V169 PolarHBondContact O-N 3.09Å | ||
| 96 | R | 95.2 | Very high | 88.7 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | trans | -107.4 | -27.1 | 178.3 | -64.3 | -175.3 | -68 | 146.5 | -3.3 | 113.1 | L86 C88 V93 C94 D146 V169 A170 Y171 | L86-R96 HydrophobicContact CD2-CB 3.45Å; L86-R96 VanDerWaalsContact CD2-CB 3.45Å; L86-R96 HydrophobicContact CD2-CG 4.48Å; L86-R96 PolarHBondContact O-NH1 3.1Å; C88-R96 PolarHBondContact O-NH2 2.57Å; V93-R96 HydrophobicContact CB-CG 4.38Å; V93-R96 HydrophobicContact CG1-CG 3.66Å; C94-R96 PolarHBondContact O-N 3.41Å; R96-D146 IonicContact CZ-OD1 3.4Å; R96-D146 PolarHBondContact N-O 2.93Å; R96-D146 IonicContact NE-OD1 2.98Å; R96-D146 PolarHBondContact NE-OD1 2.9Å; R96-D146 IonicContact NH2-OD1 2.64Å; R96-D146 PolarHBondContact NH2-OD1 2.74Å; R96-V169 CarbonylContact O-C 3.59Å; R96-V169 WeakPolarHBondContact O-CA 3.48Å; R96-A170 PolarHBondContact O-N 3.29Å; R96-Y171 PolarHBondContact O-N 3.37Å | ||
| 97 | A | 97.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 139.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M82 L86 I95 D146 V147 L148 Y171 | M82-A97 HydrophobicContact CG-CB 3.88Å; M82-A97 HydrophobicContact SD-CB 3.71Å; L86-A97 HydrophobicContact CD1-CB 3.86Å; I95-A97 WeakPolarHBondContact CG2-O 3.47Å; A97-D146 PolarHBondContact N-O 3.33Å; A97-V147 HydrophobicContact CB-CG1 4.46Å; A97-V147 HydrophobicContact CB-CG2 4.36Å; A97-L148 PolarHBondContact O-N 3Å; A97-Y171 CarbonylContact C-O 3.52Å; A97-Y171 WeakPolarHBondContact CA-O 3.46Å; A97-Y171 HydrophobicContact CB-CD1 4.32Å |
| 98 | L | 98 | Very high | 89 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.8 | 178.5 | 175.3 | 62.8 | 0 | 0 | 0 | 110.6 | V100 L148 L155 V169 Y171 V172 V173 I192 L196 | L98-V100 HydrophobicContact CD1-CG2 4.31Å; L98-V100 HydrophobicContact CD2-CG2 4.13Å; L98-V100 HydrophobicContact CG-CG2 3.99Å; L98-L148 CarbonylContact C-O 3.48Å; L98-L148 WeakPolarHBondContact CA-O 3.5Å; L98-L148 HydrophobicContact CD1-CB 4.18Å; L98-L148 HydrophobicContact CD1-CD2 3.99Å; L98-L148 HydrophobicContact CD1-CG 3.87Å; L98-L155 HydrophobicContact CD1-CD2 3.8Å; L98-L155 HydrophobicContact CD2-CD2 4.04Å; L98-L155 HydrophobicContact CG-CD2 4.5Å; L98-V169 HydrophobicContact CB-CG1 3.82Å; L98-Y171 PolarHBondContact N-O 3.33Å; L98-V172 HydrophobicContact CB-CG2 4.48Å; L98-V172 CarbonylContact O-C 3.59Å; L98-V172 VanDerWaalsContact O-CA 3.32Å; L98-V172 WeakPolarHBondContact O-CA 3.19Å; L98-V173 PolarHBondContact O-N 3.42Å; L98-I192 HydrophobicContact CD2-CG2 4.11Å; L98-L196 HydrophobicContact CD2-CD1 4.27Å; L98-L196 HydrophobicContact CD2-CD2 4.19Å |
| 99 | I | 98.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.9 | 173 | -57.9 | 167.3 | 0 | 0 | 0 | 108.6 | F78 L79 M82 T110 V147 L148 I149 A150 V173 | F78-I99 HydrophobicContact CE2-CD1 4.11Å; F78-I99 HydrophobicContact CE2-CG2 4.34Å; L79-I99 HydrophobicContact CD2-CD1 3.54Å; M82-I99 HydrophobicContact CE-CD1 4.48Å; M82-I99 HydrophobicContact SD-CD1 3.91Å; M82-I99 HydrophobicContact SD-CG1 4.45Å; I99-T110 HydrophobicContact CD1-CG2 4.21Å; I99-T110 HydrophobicContact CG2-CG2 4.29Å; I99-V147 HydrophobicContact CD1-CG1 4.34Å; I99-L148 PolarHBondContact N-O 3.1Å; I99-I149 HydrophobicContact CB-CG1 4.23Å; I99-I149 HydrophobicContact CB-CG2 4.29Å; I99-I149 HydrophobicContact CD1-CG1 4.15Å; I99-I149 HydrophobicContact CG2-CG2 4.35Å; I99-I149 CarbonylContact O-C 3.47Å; I99-I149 VanDerWaalsContact O-CA 3.32Å; I99-I149 WeakPolarHBondContact O-CA 3.48Å; I99-A150 PolarHBondContact O-N 2.97Å; I99-V173 CarbonylContact C-O 3.56Å; I99-V173 WeakPolarHBondContact CA-O 3.43Å; I99-V173 HydrophobicContact CG1-CB 4.14Å; I99-V173 HydrophobicContact CG1-CG2 4.27Å; I99-V173 HydrophobicContact CG2-CB 4.32Å |
| 100 | V | 97.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123 | 178.6 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | L98 A150 P152 L155 V173 F174 D175 L180 L189 | L98-V100 HydrophobicContact CD1-CG2 4.31Å; L98-V100 HydrophobicContact CD2-CG2 4.13Å; L98-V100 HydrophobicContact CG-CG2 3.99Å; V100-A150 WeakPolarHBondContact CA-O 3.26Å; V100-P152 HydrophobicContact CG1-CB 4.44Å; V100-P152 HydrophobicContact CG1-CG 3.62Å; V100-L155 HydrophobicContact CG2-CD2 4.36Å; V100-V173 PolarHBondContact N-O 3.16Å; V100-F174 HydrophobicContact CB-CD1 3.8Å; V100-F174 HydrophobicContact CB-CE1 4.17Å; V100-F174 HydrophobicContact CG1-CD1 4.17Å; V100-F174 HydrophobicContact CG1-CE1 4.48Å; V100-F174 HydrophobicContact CG2-CD1 4.14Å; V100-F174 HydrophobicContact CG2-CE1 4Å; V100-D175 PolarHBondContact O-N 3.35Å; V100-L180 HydrophobicContact CG1-CD1 4.33Å; V100-L180 HydrophobicContact CG1-CD2 4.22Å; V100-L189 HydrophobicContact CG1-CD2 3.88Å |
| 101 | S | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -123.9 | 145.6 | 178.7 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | T103 A150 T151 P152 | S101-T103 PolarHBondContact O-N 2.9Å; S101-A150 PolarHBondContact N-O 2.98Å; S101-T151 WeakPolarHBondContact O-CA 3.49Å; S101-P152 WeakPolarHBondContact O-CD 3.32Å | ||
| 102 | P | 90.6 | Very high | 91 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -66 | -30.7 | -175.8 | 22.7 | -36.7 | 0 | 0 | 0 | 114.9 | L106 D175 E176 R179 L180 L183 | P102-L106 HydrophobicContact CG-CD2 3.94Å; P102-D175 WeakPolarHBondContact CD-O 3.29Å; P102-E176 HydrophobicContact CG-CB 3.85Å; P102-R179 HydrophobicContact CB-CB 4.19Å; P102-R179 HydrophobicContact CG-CB 4.14Å; P102-L180 HydrophobicContact CB-CD2 3.85Å; P102-L180 HydrophobicContact CB-CG 4.34Å; P102-L183 HydrophobicContact CB-CD1 3.91Å |
| 103 | T | 87.9 | Confident | 91.6 | Very high | 19 Ų | 19 | 26.5 Ų | 26.5 | 12% | 0.117 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -126.5 | 154.1 | -176.6 | 71.2 | 0 | 0 | 0 | 0 | 111.9 | S101 E105 L106 A107 | S101-T103 PolarHBondContact O-N 2.9Å; T103-E105 VanDerWaalsContact C-N 3.27Å; T103-E105 PolarHBondContact O-N 3.08Å; T103-L106 PolarHBondContact O-N 2.95Å; T103-L106 WeakPolarHBondContact OG1-CB 3.35Å; T103-L106 PolarHBondContact OG1-N 3.33Å; T103-A107 PolarHBondContact O-N 2.87Å; T103-A107 VanDerWaalsContact O-N 3.09Å |
| 104 | R | 86.3 | Confident | 92.3 | Very high | 53 Ų | 53 | 24.8 Ų | 24.8 | 20% | 0.2 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53.9 | -46.8 | 175.8 | 166.7 | 178.7 | -177.5 | 161.5 | 6.2 | 111.2 | A107 M108 V129 G130 D132 | R104-A107 WeakPolarHBondContact O-CB 3.47Å; R104-A107 PolarHBondContact O-N 3.38Å; R104-M108 HydrophobicContact CG-CG 4.43Å; R104-M108 HydrophobicContact CG-SD 3.77Å; R104-M108 VanDerWaalsContact O-CG 3.31Å; R104-M108 WeakPolarHBondContact O-CG 3.35Å; R104-M108 PolarHBondContact O-N 2.9Å; R104-V129 HydrophobicContact CB-CB 4.14Å; R104-V129 HydrophobicContact CB-CG1 4.47Å; R104-V129 HydrophobicContact CG-CB 3.9Å; R104-V129 HydrophobicContact CG-CG1 4.34Å; R104-V129 HydrophobicContact CG-CG2 3.85Å; R104-G130 WeakPolarHBondContact CD-O 2.99Å; R104-G130 PolarHBondContact NH1-O 3.45Å; R104-D132 IonicContact CZ-OD1 3.37Å; R104-D132 VanDerWaalsContact CZ-OD1 3.29Å; R104-D132 IonicContact NH1-OD1 2.97Å; R104-D132 IonicContact NH2-OD1 2.67Å; R104-D132 PolarHBondContact NH2-OD1 2.84Å; R104-D132 IonicContact NH2-OD2 3.6Å |
| 105 | E | 82.5 | Confident | 92.8 | Very high | 45 Ų | 45 | 29.4 Ų | 29.4 | 21% | 0.21 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.5 | -37.8 | -173.2 | -62.9 | 79.6 | 179.6 | 0 | 0 | 111.6 | T103 M108 Q109 R307 G331 | T103-E105 VanDerWaalsContact C-N 3.27Å; T103-E105 PolarHBondContact O-N 3.08Å; E105-M108 PolarHBondContact O-N 3.43Å; E105-Q109 WeakPolarHBondContact O-CB 3.46Å; E105-Q109 PolarHBondContact O-N 3.39Å; E105-R307 IonicContact OE1-CZ 3.16Å; E105-R307 VanDerWaalsContact OE1-CZ 3.28Å; E105-R307 IonicContact OE1-NE 2.68Å; E105-R307 PolarHBondContact OE1-NE 2.82Å; E105-R307 IonicContact OE1-NH2 2.67Å; E105-R307 PolarHBondContact OE1-NH2 2.94Å; E105-R307 VanDerWaalsContact OE1-NH2 3.09Å; E105-G331 CarbonylContact C-O 3.56Å; E105-G331 WeakPolarHBondContact CB-O 3.38Å |
| 106 | L | 87.6 | Confident | 92.7 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.058 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 174.6 | -177.1 | 59.7 | 0 | 0 | 0 | 110.8 | P102 T103 M108 Q109 T110 E176 | P102-L106 HydrophobicContact CG-CD2 3.94Å; T103-L106 PolarHBondContact O-N 2.95Å; T103-L106 WeakPolarHBondContact OG1-CB 3.35Å; T103-L106 PolarHBondContact OG1-N 3.33Å; L106-M108 VanDerWaalsContact C-N 3.33Å; L106-M108 PolarHBondContact O-N 3.34Å; L106-Q109 PolarHBondContact O-N 3Å; L106-T110 PolarHBondContact O-N 3.46Å; L106-T110 PolarHBondContact O-OG1 3.16Å; L106-T110 VanDerWaalsContact O-OG1 3.1Å; L106-E176 HydrophobicContact CD2-CB 4.25Å; L106-E176 HydrophobicContact CD2-CG 3.8Å |
| 107 | A | 92.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.9 | -44.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T103 R104 T110 F111 V129 I149 | T103-A107 PolarHBondContact O-N 2.87Å; T103-A107 VanDerWaalsContact O-N 3.09Å; R104-A107 WeakPolarHBondContact O-CB 3.47Å; R104-A107 PolarHBondContact O-N 3.38Å; A107-T110 PolarHBondContact O-N 3.01Å; A107-F111 WeakPolarHBondContact O-CB 3.47Å; A107-F111 PolarHBondContact O-N 2.92Å; A107-V129 HydrophobicContact CB-CG1 3.75Å; A107-I149 HydrophobicContact CB-CG2 3.88Å; A107-I149 WeakPolarHBondContact O-CG2 3.27Å |
| 108 | M | 91.2 | Very high | 92.3 | Very high | 84 Ų | 84 | 31.4 Ų | 31.4 | 41% | 0.414 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -66.4 | -37 | 176.7 | -70.3 | 174.2 | 68.7 | 0 | 0 | 112.7 | R104 E105 L106 F111 K112 | R104-M108 HydrophobicContact CG-CG 4.43Å; R104-M108 HydrophobicContact CG-SD 3.77Å; R104-M108 VanDerWaalsContact O-CG 3.31Å; R104-M108 WeakPolarHBondContact O-CG 3.35Å; R104-M108 PolarHBondContact O-N 2.9Å; E105-M108 PolarHBondContact O-N 3.43Å; L106-M108 VanDerWaalsContact C-N 3.33Å; L106-M108 PolarHBondContact O-N 3.34Å; M108-F111 WeakPolarHBondContact O-CB 3.44Å; M108-F111 PolarHBondContact O-N 2.69Å; M108-K112 PolarHBondContact O-N 3.19Å |
| 109 | Q | 87.2 | Confident | 91.9 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 34% | 0.341 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 174.8 | -175.3 | 176.9 | 14.5 | 0 | 0 | 110.7 | E105 L106 F111 K112 F113 | E105-Q109 WeakPolarHBondContact O-CB 3.46Å; E105-Q109 PolarHBondContact O-N 3.39Å; L106-Q109 PolarHBondContact O-N 3Å; Q109-F111 VanDerWaalsContact C-N 3.31Å; Q109-F111 PolarHBondContact O-N 3.24Å; Q109-K112 PolarHBondContact O-N 2.97Å; Q109-F113 WeakPolarHBondContact O-CB 3.44Å; Q109-F113 PolarHBondContact O-N 3.47Å |
| 110 | T | 94.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 174.9 | -59.6 | 0 | 0 | 0 | 0 | 111 | T75 F78 I99 L106 A107 F113 V114 I149 | T75-T110 HydrophobicContact CG2-CG2 4.06Å; F78-T110 HydrophobicContact CE2-CG2 4.27Å; F78-T110 HydrophobicContact CZ-CG2 4.44Å; I99-T110 HydrophobicContact CD1-CG2 4.21Å; I99-T110 HydrophobicContact CG2-CG2 4.29Å; L106-T110 PolarHBondContact O-N 3.46Å; L106-T110 PolarHBondContact O-OG1 3.16Å; L106-T110 VanDerWaalsContact O-OG1 3.1Å; A107-T110 PolarHBondContact O-N 3.01Å; T110-F113 CarbonylContact O-C 3.54Å; T110-F113 PolarHBondContact O-N 3.04Å; T110-F113 VanDerWaalsContact O-N 3.17Å; T110-V114 HydrophobicContact CG2-CG2 4.47Å; T110-V114 WeakPolarHBondContact O-CG2 3.36Å; T110-V114 PolarHBondContact O-N 2.84Å; T110-I149 HydrophobicContact CG2-CD1 4.24Å; T110-I149 HydrophobicContact CG2-CG2 4.45Å |
| 111 | F | 96 | Very high | 91.3 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 18% | 0.18 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 175.9 | 177.6 | -114.5 | 0 | 0 | 0 | 114 | A107 M108 Q109 F113 V114 K115 A125 T127 I149 | A107-F111 WeakPolarHBondContact O-CB 3.47Å; A107-F111 PolarHBondContact O-N 2.92Å; M108-F111 WeakPolarHBondContact O-CB 3.44Å; M108-F111 PolarHBondContact O-N 2.69Å; Q109-F111 VanDerWaalsContact C-N 3.31Å; Q109-F111 PolarHBondContact O-N 3.24Å; F111-F113 PolarHBondContact O-N 3.37Å; F111-V114 PolarHBondContact O-N 2.93Å; F111-K115 HydrophobicContact CE1-CD 4.16Å; F111-K115 HydrophobicContact CZ-CD 4.05Å; F111-K115 PolarHBondContact O-N 2.93Å; F111-K115 VanDerWaalsContact O-N 3.07Å; F111-A125 HydrophobicContact CD2-CB 3.97Å; F111-A125 HydrophobicContact CE2-CB 3.75Å; F111-A125 VanDerWaalsContact CE2-O 3.26Å; F111-A125 WeakPolarHBondContact CE2-O 3.4Å; F111-T127 HydrophobicContact CB-CG2 3.33Å; F111-T127 HydrophobicContact CD1-CG2 4.01Å; F111-T127 HydrophobicContact CD2-CG2 3.83Å; F111-T127 HydrophobicContact CG-CG2 3.46Å; F111-T127 VanDerWaalsContact CG-CG2 3.46Å; F111-I149 HydrophobicContact CB-CD1 3.73Å; F111-I149 HydrophobicContact CD2-CD1 4.01Å; F111-I149 HydrophobicContact CG-CD1 4.4Å |
| 112 | K | 93.2 | Very high | 91 | Very high | 87 Ų | 87 | 44 Ų | 44 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.2 | -43.8 | 173.6 | -176.3 | -174.1 | 176 | -164.8 | 0 | 110.1 | M108 Q109 K115 E116 D333 | M108-K112 PolarHBondContact O-N 3.19Å; Q109-K112 PolarHBondContact O-N 2.97Å; K112-K115 PolarHBondContact O-N 3.31Å; K112-E116 WeakPolarHBondContact CE-OE1 3.37Å; K112-E116 WeakPolarHBondContact O-CG 3.47Å; K112-E116 PolarHBondContact O-N 2.74Å; K112-D333 IonicContact NZ-OD2 2.66Å |
| 113 | F | 92.7 | Very high | 91.1 | Very high | 23 Ų | 23 | 45 Ų | 45 | 10% | 0.101 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.2 | -34.6 | -179.2 | -165.8 | -131.2 | 0 | 0 | 0 | 113.1 | K42 Y44 T75 A76 L79 Q109 T110 F111 E116 L117 | K42-F113 HydrophobicContact CD-CE2 4.44Å; K42-F113 HydrophobicContact CG-CE2 4.19Å; Y44-F113 AromaticContact CE2-CE2 3.87Å; Y44-F113 HydrophobicContact CE2-CE2 3.87Å; Y44-F113 AromaticContact CE2-CZ 3.68Å; Y44-F113 HydrophobicContact CE2-CZ 3.68Å; Y44-F113 AromaticContact CZ-CZ 3.9Å; Y44-F113 WeakPolarHBondContact OH-CE2 3.44Å; Y44-F113 VanDerWaalsContact OH-CZ 3.28Å; Y44-F113 WeakPolarHBondContact OH-CZ 3.41Å; T75-F113 HydrophobicContact CG2-CD1 3.54Å; T75-F113 HydrophobicContact CG2-CE1 4.06Å; A76-F113 HydrophobicContact CB-CE1 3.85Å; A76-F113 HydrophobicContact CB-CZ 3.96Å; L79-F113 HydrophobicContact CD1-CB 4.47Å; L79-F113 HydrophobicContact CD1-CD1 3.49Å; L79-F113 VanDerWaalsContact CD1-CD1 3.49Å; L79-F113 HydrophobicContact CD1-CE1 4.08Å; L79-F113 HydrophobicContact CD1-CG 4.29Å; Q109-F113 WeakPolarHBondContact O-CB 3.44Å; Q109-F113 PolarHBondContact O-N 3.47Å; T110-F113 CarbonylContact O-C 3.54Å; T110-F113 PolarHBondContact O-N 3.04Å; T110-F113 VanDerWaalsContact O-N 3.17Å; F111-F113 PolarHBondContact O-N 3.37Å; F113-E116 PolarHBondContact O-N 3.31Å; F113-L117 HydrophobicContact CE1-CD2 4.27Å; F113-L117 HydrophobicContact CZ-CD2 4.24Å; F113-L117 VanDerWaalsContact O-CB 3.23Å; F113-L117 WeakPolarHBondContact O-CB 3.4Å; F113-L117 PolarHBondContact O-N 2.8Å |
| 114 | V | 95.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 170.3 | 166 | 0 | 0 | 0 | 0 | 110.8 | L79 M82 F83 T110 F111 G118 A125 I149 | L79-V114 HydrophobicContact CD1-CG2 3.65Å; L79-V114 HydrophobicContact CD2-CG2 3.46Å; L79-V114 VanDerWaalsContact CD2-CG2 3.46Å; L79-V114 HydrophobicContact CG-CG2 4.2Å; M82-V114 HydrophobicContact CE-CG2 4.45Å; F83-V114 HydrophobicContact CE1-CG1 4.11Å; F83-V114 HydrophobicContact CZ-CB 4.49Å; F83-V114 HydrophobicContact CZ-CG1 4.16Å; T110-V114 HydrophobicContact CG2-CG2 4.47Å; T110-V114 WeakPolarHBondContact O-CG2 3.36Å; T110-V114 PolarHBondContact O-N 2.84Å; F111-V114 PolarHBondContact O-N 2.93Å; V114-G118 WeakPolarHBondContact O-CA 3.3Å; V114-G118 PolarHBondContact O-N 3.38Å; V114-A125 HydrophobicContact CG1-CB 3.77Å; V114-I149 HydrophobicContact CB-CD1 4.45Å; V114-I149 HydrophobicContact CG2-CD1 3.95Å |
| 115 | K | 94.4 | Very high | 91.8 | Very high | 130 Ų | 130 | 45.2 Ų | 45.2 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.9 | -39.3 | 177.9 | -74.6 | -170.3 | 167 | -178.7 | 0 | 113.4 | F111 K112 K119 | F111-K115 HydrophobicContact CE1-CD 4.16Å; F111-K115 HydrophobicContact CZ-CD 4.05Å; F111-K115 PolarHBondContact O-N 2.93Å; F111-K115 VanDerWaalsContact O-N 3.07Å; K112-K115 PolarHBondContact O-N 3.31Å; K115-K119 WeakPolarHBondContact O-CA 3.37Å; K115-K119 PolarHBondContact O-N 3.46Å |
| 116 | E | 92.4 | Very high | 92.4 | Very high | 66 Ų | 66 | 43.7 Ų | 43.7 | 31% | 0.308 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72.9 | -46.1 | -178.8 | -71.5 | 173.6 | 170.4 | 0 | 0 | 112.2 | K42 K112 F113 | K42-E116 HydrophobicContact CD-CB 4.34Å; K42-E116 WeakPolarHBondContact CE-OE2 3.42Å; K42-E116 IonicContact NZ-OE1 3.52Å; K42-E116 IonicContact NZ-OE2 3.22Å; K42-E116 PolarHBondContact NZ-OE2 2.99Å; K112-E116 WeakPolarHBondContact CE-OE1 3.37Å; K112-E116 WeakPolarHBondContact O-CG 3.47Å; K112-E116 PolarHBondContact O-N 2.74Å; F113-E116 PolarHBondContact O-N 3.31Å |
| 117 | L | 91.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -77.9 | -38 | -177.5 | -169 | 66.6 | 0 | 0 | 0 | 111.8 | G38 I39 K42 Y44 A76 L79 I80 F83 F113 K119 | G38-L117 WeakPolarHBondContact CA-O 3.45Å; I39-L117 HydrophobicContact CB-CD1 4.43Å; I39-L117 HydrophobicContact CG1-CD1 3.86Å; K42-L117 HydrophobicContact CB-CD1 4.32Å; Y44-L117 HydrophobicContact CD2-CD1 4.28Å; Y44-L117 HydrophobicContact CE2-CD1 4.34Å; A76-L117 HydrophobicContact CB-CD2 4.48Å; L79-L117 HydrophobicContact CB-CD2 4.18Å; I80-L117 HydrophobicContact CG1-CD2 3.83Å; F83-L117 HydrophobicContact CE2-CB 3.95Å; F83-L117 HydrophobicContact CE2-CD2 3.93Å; F83-L117 HydrophobicContact CE2-CG 3.87Å; F113-L117 HydrophobicContact CE1-CD2 4.27Å; F113-L117 HydrophobicContact CZ-CD2 4.24Å; F113-L117 VanDerWaalsContact O-CB 3.23Å; F113-L117 WeakPolarHBondContact O-CB 3.4Å; F113-L117 PolarHBondContact O-N 2.8Å; L117-K119 VanDerWaalsContact C-N 3.31Å; L117-K119 PolarHBondContact O-N 3.16Å |
| 118 | G | 91.6 | Very high | 93 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 14.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V114 F120 V121 | V114-G118 WeakPolarHBondContact O-CA 3.3Å; V114-G118 PolarHBondContact O-N 3.38Å; G118-F120 PolarHBondContact O-N 2.9Å; G118-V121 PolarHBondContact O-N 2.84Å |
| 119 | K | 90.9 | Very high | 93.1 | Very high | 142 Ų | 142 | 40.7 Ų | 40.7 | 62% | 0.617 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49 | -34.9 | -173.6 | -177.5 | 178.1 | 178.3 | -178 | 0 | 114.1 | K115 L117 | K115-K119 WeakPolarHBondContact O-CA 3.37Å; K115-K119 PolarHBondContact O-N 3.46Å; L117-K119 VanDerWaalsContact C-N 3.31Å; L117-K119 PolarHBondContact O-N 3.16Å |
| 120 | F | 91.4 | Very high | 93 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 26% | 0.259 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -3.3 | -176 | -55.8 | -74.5 | 0 | 0 | 0 | 114.3 | Q34 K37 T41 G118 | Q34-F120 HydrophobicContact CB-CB 4.21Å; Q34-F120 VanDerWaalsContact CD-O 3.32Å; Q34-F120 PolarHBondContact OE1-O 3.27Å; K37-F120 HydrophobicContact CB-CD2 4.06Å; K37-F120 HydrophobicContact CB-CE2 4.35Å; K37-F120 HydrophobicContact CD-CD1 4.1Å; K37-F120 HydrophobicContact CD-CD2 4.11Å; K37-F120 HydrophobicContact CD-CE1 4.11Å; K37-F120 HydrophobicContact CD-CE2 4.14Å; K37-F120 HydrophobicContact CD-CG 4.09Å; K37-F120 HydrophobicContact CD-CZ 4.13Å; K37-F120 HydrophobicContact CG-CD2 3.83Å; K37-F120 HydrophobicContact CG-CE2 3.7Å; K37-F120 HydrophobicContact CG-CG 4.31Å; K37-F120 HydrophobicContact CG-CZ 4.06Å; T41-F120 WeakPolarHBondContact OG1-CE2 3.34Å; G118-F120 PolarHBondContact O-N 2.9Å |
| 121 | V | 91.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -22.9 | -178 | -168.1 | 0 | 0 | 0 | 0 | 111.1 | I35 F83 K87 G118 L123 | I35-V121 HydrophobicContact CG1-CG2 3.87Å; F83-V121 HydrophobicContact CB-CG1 4.48Å; F83-V121 HydrophobicContact CB-CG2 4.31Å; F83-V121 HydrophobicContact CG-CG2 4.39Å; K87-V121 WeakPolarHBondContact O-CG1 3.41Å; G118-V121 PolarHBondContact O-N 2.84Å; V121-L123 VanDerWaalsContact C-N 3.29Å; V121-L123 HydrophobicContact CB-CG 4.42Å; V121-L123 HydrophobicContact CG1-CD1 3.82Å; V121-L123 HydrophobicContact CG1-CG 3.79Å; V121-L123 PolarHBondContact O-N 3.46Å |
| 122 | G | 88.3 | Confident | 91.9 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 56% | 0.557 | 24% | 0.24 | S | C | * | . | trans | 75.1 | 10.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 123 | L | 93.1 | Very high | 91.6 | Very high | 29 Ų | 29 | 40.7 Ų | 40.7 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | trans | -70.1 | 142 | 177.7 | -62.7 | 171.9 | 0 | 0 | 0 | 111.9 | F83 L86 V121 D146 | F83-L123 HydrophobicContact CD1-CD1 3.69Å; F83-L123 HydrophobicContact CE1-CD1 4.27Å; L86-L123 HydrophobicContact CB-CD1 3.91Å; L86-L123 HydrophobicContact CB-CD2 4.11Å; L86-L123 HydrophobicContact CD1-CD1 3.87Å; V121-L123 VanDerWaalsContact C-N 3.29Å; V121-L123 HydrophobicContact CB-CG 4.42Å; V121-L123 HydrophobicContact CG1-CD1 3.82Å; V121-L123 HydrophobicContact CG1-CG 3.79Å; V121-L123 PolarHBondContact O-N 3.46Å; L123-D146 HydrophobicContact CB-CB 4.48Å; L123-D146 HydrophobicContact CD2-CB 4.1Å | ||
| 124 | K | 93.4 | Very high | 91.4 | Very high | 66 Ų | 66 | 40.6 Ų | 40.6 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | trans | -93 | 121.3 | 175 | -170.2 | 167.8 | -172.8 | 160.3 | 0 | 110.3 | E143 P145 D146 V147 | K124-E143 WeakPolarHBondContact CE-OE2 3.48Å; K124-E143 VanDerWaalsContact NZ-CB 3.28Å; K124-E143 IonicContact NZ-OE2 2.55Å; K124-E143 PolarHBondContact NZ-OE2 3.12Å; K124-P145 HydrophobicContact CG-CB 4.28Å; K124-D146 PolarHBondContact N-OD2 2.94Å; K124-D146 PolarHBondContact O-N 3.43Å; K124-V147 PolarHBondContact O-N 2.85Å | ||
| 125 | A | 95.6 | Very high | 91.1 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 150.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | F111 V114 V147 | F111-A125 HydrophobicContact CD2-CB 3.97Å; F111-A125 HydrophobicContact CE2-CB 3.75Å; F111-A125 VanDerWaalsContact CE2-O 3.26Å; F111-A125 WeakPolarHBondContact CE2-O 3.4Å; V114-A125 HydrophobicContact CG1-CB 3.77Å; A125-V147 CarbonylContact C-O 3.57Å; A125-V147 VanDerWaalsContact CA-O 3.24Å; A125-V147 WeakPolarHBondContact CA-O 3.15Å; A125-V147 HydrophobicContact CB-CB 3.96Å; A125-V147 HydrophobicContact CB-CG1 4.44Å |
| 126 | I | 96 | Very high | 90.9 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 162.8 | 170 | 62.6 | 158.1 | 0 | 0 | 0 | 111.4 | I128 A140 I141 P145 V147 L148 I149 | I126-I128 HydrophobicContact CD1-CD1 4.26Å; I126-I128 HydrophobicContact CD1-CG1 4.24Å; I126-A140 HydrophobicContact CD1-CB 4.45Å; I126-A140 HydrophobicContact CG2-CB 4.09Å; I126-I141 HydrophobicContact CD1-CG1 3.59Å; I126-P145 HydrophobicContact CB-CB 4.38Å; I126-P145 HydrophobicContact CD1-CB 4.39Å; I126-P145 HydrophobicContact CD1-CG 3.62Å; I126-P145 HydrophobicContact CG1-CB 3.87Å; I126-P145 HydrophobicContact CG1-CG 3.63Å; I126-P145 HydrophobicContact CG2-CB 3.79Å; I126-P145 HydrophobicContact CG2-CG 4.11Å; I126-V147 PolarHBondContact N-O 2.95Å; I126-L148 HydrophobicContact CD1-CD1 3.86Å; I126-L148 HydrophobicContact CG1-CD1 3.77Å; I126-I149 PolarHBondContact O-N 2.98Å |
| 127 | T | 96.5 | Very high | 91 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.3 | 173.3 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | F111 I149 | F111-T127 HydrophobicContact CB-CG2 3.33Å; F111-T127 HydrophobicContact CD1-CG2 4.01Å; F111-T127 HydrophobicContact CD2-CG2 3.83Å; F111-T127 HydrophobicContact CG-CG2 3.46Å; F111-T127 VanDerWaalsContact CG-CG2 3.46Å; T127-I149 CarbonylContact C-O 3.59Å; T127-I149 WeakPolarHBondContact CA-O 3.49Å; T127-I149 HydrophobicContact CG2-CB 4.24Å |
| 128 | I | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 99 | 173.6 | -66.7 | 179.8 | 0 | 0 | 0 | 109.2 | I126 I141 L148 I149 A150 T151 R154 V158 | I126-I128 HydrophobicContact CD1-CD1 4.26Å; I126-I128 HydrophobicContact CD1-CG1 4.24Å; I128-I141 HydrophobicContact CD1-CD1 3.42Å; I128-I141 VanDerWaalsContact CD1-CD1 3.42Å; I128-I141 HydrophobicContact CD1-CG1 3.91Å; I128-I141 HydrophobicContact CG1-CD1 4.47Å; I128-L148 HydrophobicContact CB-CD1 4Å; I128-L148 HydrophobicContact CD1-CD1 3.36Å; I128-L148 HydrophobicContact CD1-CD2 3.95Å; I128-L148 HydrophobicContact CD1-CG 4.31Å; I128-L148 HydrophobicContact CG1-CD1 3.48Å; I128-L148 VanDerWaalsContact CG1-CD1 3.48Å; I128-I149 PolarHBondContact N-O 3Å; I128-A150 HydrophobicContact CB-CB 3.89Å; I128-A150 HydrophobicContact CG2-CB 4.43Å; I128-A150 WeakPolarHBondContact O-CA 3.46Å; I128-A150 WeakPolarHBondContact O-CB 3.35Å; I128-T151 PolarHBondContact O-N 2.69Å; I128-R154 HydrophobicContact CG2-CB 4.25Å; I128-R154 HydrophobicContact CG2-CG 3.51Å; I128-V158 HydrophobicContact CD1-CG1 4.23Å; I128-V158 HydrophobicContact CG2-CB 4.4Å; I128-V158 HydrophobicContact CG2-CG2 3.87Å |
| 129 | V | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -133.2 | 154.1 | -172.3 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | R104 A107 D132 Q137 T151 R154 | R104-V129 HydrophobicContact CB-CB 4.14Å; R104-V129 HydrophobicContact CB-CG1 4.47Å; R104-V129 HydrophobicContact CG-CB 3.9Å; R104-V129 HydrophobicContact CG-CG1 4.34Å; R104-V129 HydrophobicContact CG-CG2 3.85Å; A107-V129 HydrophobicContact CB-CG1 3.75Å; V129-D132 VanDerWaalsContact CG2-OD2 3.27Å; V129-D132 WeakPolarHBondContact CG2-OD2 3.41Å; V129-Q137 PolarHBondContact O-NE2 3.36Å; V129-T151 HydrophobicContact CG1-CG2 4.18Å; V129-R154 VanDerWaalsContact O-CZ 3.31Å; V129-R154 PolarHBondContact O-NH1 3.04Å | ||
| 130 | G | 85.2 | Confident | 91 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 148.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R104 D132 | R104-G130 WeakPolarHBondContact CD-O 2.99Å; R104-G130 PolarHBondContact NH1-O 3.45Å; G130-D132 VanDerWaalsContact C-N 3.32Å; G130-D132 PolarHBondContact O-N 2.72Å |
| 131 | G | 82.5 | Confident | 91.1 | Very high | 65 Ų | 65 | 35.2 Ų | 35.2 | 67% | 0.67 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -21.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | R154 | G131-R154 VanDerWaalsContact N-NH2 3.15Š|
| 132 | D | 85.3 | Confident | 91 | Very high | 54 Ų | 54 | 38.4 Ų | 38.4 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -83.3 | 155.4 | 173.2 | -68 | -12.6 | 0 | 0 | 0 | 111.3 | R104 V129 G130 M134 R154 | R104-D132 IonicContact CZ-OD1 3.37Å; R104-D132 VanDerWaalsContact CZ-OD1 3.29Å; R104-D132 IonicContact NH1-OD1 2.97Å; R104-D132 IonicContact NH2-OD1 2.67Å; R104-D132 PolarHBondContact NH2-OD1 2.84Å; R104-D132 IonicContact NH2-OD2 3.6Å; V129-D132 VanDerWaalsContact CG2-OD2 3.27Å; V129-D132 WeakPolarHBondContact CG2-OD2 3.41Å; G130-D132 VanDerWaalsContact C-N 3.32Å; G130-D132 PolarHBondContact O-N 2.72Å; D132-M134 PolarHBondContact O-N 3.14Å; D132-R154 PolarHBondContact O-NH1 3.15Å; D132-R154 PolarHBondContact O-NH2 3.17Å |
| 133 | S | 87.3 | Confident | 91.1 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | trans | -59.7 | 132 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | E135 H136 Q137 | S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 3.11Å; S133-E135 PolarHBondContact OG-N 3.05Å; S133-H136 PolarHBondContact O-N 2.96Å; S133-Q137 PolarHBondContact O-N 3.32Å | ||
| 134 | M | 88.2 | Confident | 91 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 173.2 | -66.7 | -68.3 | -70 | 0 | 0 | 111 | D132 H136 Q137 F138 V158 | D132-M134 PolarHBondContact O-N 3.14Å; M134-H136 VanDerWaalsContact C-N 3.3Å; M134-H136 PolarHBondContact O-N 2.98Å; M134-Q137 PolarHBondContact O-N 2.98Å; M134-Q137 VanDerWaalsContact O-N 3.12Å; M134-F138 HydrophobicContact CB-CE1 4.43Å; M134-F138 HydrophobicContact CB-CE2 3.92Å; M134-F138 HydrophobicContact CB-CZ 3.89Å; M134-F138 HydrophobicContact CE-CE1 3.69Å; M134-F138 HydrophobicContact CE-CZ 3.63Å; M134-F138 WeakPolarHBondContact O-CD1 3.3Å; M134-F138 VanDerWaalsContact O-CD2 3.29Å; M134-F138 WeakPolarHBondContact O-CD2 3.32Å; M134-F138 WeakPolarHBondContact O-CG 3.31Å; M134-F138 PolarHBondContact O-N 3.43Å; M134-V158 HydrophobicContact CE-CG2 3.8Å; M134-V158 HydrophobicContact SD-CG2 4.31Å |
| 135 | E | 89.4 | Confident | 91 | Very high | 84 Ų | 84 | 39.4 Ų | 39.4 | 39% | 0.393 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.9 | -40.4 | -179.8 | -60.1 | -169.9 | -177.7 | 0 | 0 | 111.6 | S133 F138 A139 W583 K586 | S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 3.11Å; S133-E135 PolarHBondContact OG-N 3.05Å; E135-F138 PolarHBondContact O-N 3.05Å; E135-A139 PolarHBondContact O-N 2.78Å; E135-W583 HydrophobicContact CG-CG 4.38Å; E135-K586 IonicContact OE1-NZ 2.72Å; E135-K586 IonicContact OE2-NZ 3.48Å; E135-K586 PolarHBondContact OE2-NZ 3.4Å; E135-K586 VanDerWaalsContact OE2-NZ 3.16Å |
| 136 | H | 90.6 | Very high | 91 | Very high | 144 Ų | 144 | 38.8 Ų | 38.8 | 67% | 0.667 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -69.9 | -36.6 | 176 | -72.4 | -55.4 | 0 | 0 | 0 | 112.5 | S133 M134 A139 A140 | S133-H136 PolarHBondContact O-N 2.96Å; M134-H136 VanDerWaalsContact C-N 3.3Å; M134-H136 PolarHBondContact O-N 2.98Å; H136-A139 PolarHBondContact O-N 3.42Å; H136-A140 WeakPolarHBondContact O-CB 3.32Å; H136-A140 PolarHBondContact O-N 3.43Å |
| 137 | Q | 92.7 | Very high | 91 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -38.8 | 175.6 | -70.5 | 178.2 | -2.8 | 0 | 0 | 111.5 | V129 S133 M134 A140 I141 R154 | V129-Q137 PolarHBondContact O-NE2 3.36Å; S133-Q137 PolarHBondContact O-N 3.32Å; M134-Q137 PolarHBondContact O-N 2.98Å; M134-Q137 VanDerWaalsContact O-N 3.12Å; Q137-A140 PolarHBondContact O-N 3.5Å; Q137-I141 WeakPolarHBondContact O-CG1 3.16Å; Q137-I141 PolarHBondContact O-N 3.04Å; Q137-R154 VanDerWaalsContact CD-NH1 3.29Å; Q137-R154 VanDerWaalsContact NE2-NH1 3.14Å |
| 138 | F | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -49.6 | 173.2 | -59.1 | -26.3 | 0 | 0 | 0 | 110.9 | M134 E135 A140 I141 H142 V158 E161 M162 K579 Y580 W583 | M134-F138 HydrophobicContact CB-CE1 4.43Å; M134-F138 HydrophobicContact CB-CE2 3.92Å; M134-F138 HydrophobicContact CB-CZ 3.89Å; M134-F138 HydrophobicContact CE-CE1 3.69Å; M134-F138 HydrophobicContact CE-CZ 3.63Å; M134-F138 WeakPolarHBondContact O-CD1 3.3Å; M134-F138 VanDerWaalsContact O-CD2 3.29Å; M134-F138 WeakPolarHBondContact O-CD2 3.32Å; M134-F138 WeakPolarHBondContact O-CG 3.31Å; M134-F138 PolarHBondContact O-N 3.43Å; E135-F138 PolarHBondContact O-N 3.05Å; F138-A140 PolarHBondContact O-N 3.13Å; F138-I141 PolarHBondContact O-N 3.4Å; F138-H142 PolarHBondContact O-CD2 2.89Å; F138-H142 VanDerWaalsContact O-CD2 3.3Å; F138-H142 PolarHBondContact O-N 3.47Å; F138-H142 VanDerWaalsContact O-N 3.14Å; F138-V158 HydrophobicContact CE1-CG1 4.5Å; F138-E161 HydrophobicContact CE1-CG 4.42Å; F138-E161 HydrophobicContact CZ-CG 3.92Å; F138-M162 HydrophobicContact CB-SD 4.43Å; F138-M162 HydrophobicContact CD1-CE 4.47Å; F138-M162 HydrophobicContact CD1-CG 3.72Å; F138-M162 HydrophobicContact CD1-SD 3.34Å; F138-M162 WeakPolarHBondContact CD1-SD 3.24Å; F138-M162 HydrophobicContact CE1-CG 3.72Å; F138-M162 HydrophobicContact CE1-SD 3.9Å; F138-M162 HydrophobicContact CG-SD 4.22Å; F138-K579 HydrophobicContact CE2-CB 4.43Å; F138-Y580 HydrophobicContact CB-CD2 4.27Å; F138-Y580 HydrophobicContact CB-CE2 4.46Å; F138-Y580 HydrophobicContact CD1-CD2 4.16Å; F138-Y580 AromaticContact CD2-CD2 3.91Å; F138-Y580 HydrophobicContact CD2-CD2 3.91Å; F138-Y580 HydrophobicContact CE1-CD2 4.41Å; F138-Y580 HydrophobicContact CE2-CD2 4.21Å; F138-Y580 AromaticContact CG-CD2 3.87Å; F138-Y580 HydrophobicContact CG-CD2 3.87Å; F138-Y580 HydrophobicContact CG-CE2 4.49Å; F138-Y580 HydrophobicContact CZ-CD2 4.43Å; F138-W583 HydrophobicContact CB-CD2 3.94Å; F138-W583 HydrophobicContact CB-CE3 3.84Å; F138-W583 HydrophobicContact CB-CH2 3.95Å; F138-W583 HydrophobicContact CB-CZ2 4.03Å; F138-W583 HydrophobicContact CB-CZ3 3.86Å; F138-W583 HydrophobicContact CD2-CB 4.06Å; F138-W583 AromaticContact CD2-CD2 3.97Å; F138-W583 HydrophobicContact CD2-CD2 3.97Å; F138-W583 HydrophobicContact CD2-CE3 4.2Å; F138-W583 AromaticContact CD2-CG 3.93Å; F138-W583 HydrophobicContact CD2-CG 3.93Å; F138-W583 HydrophobicContact CE2-CB 4.43Å; F138-W583 HydrophobicContact CG-CD2 4.45Å; F138-W583 HydrophobicContact CG-CE3 4.41Å |
| 139 | A | 91.5 | Very high | 91.2 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 30% | 0.298 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.9 | -47.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | E135 H136 I141 H142 E143 W583 | E135-A139 PolarHBondContact O-N 2.78Å; H136-A139 PolarHBondContact O-N 3.42Å; A139-I141 VanDerWaalsContact C-N 3.3Å; A139-I141 PolarHBondContact O-N 3.23Å; A139-H142 WeakPolarHBondContact O-CB 3.43Å; A139-H142 PolarHBondContact O-N 2.98Å; A139-H142 VanDerWaalsContact O-N 3.16Å; A139-E143 PolarHBondContact O-N 2.84Å; A139-W583 HydrophobicContact CB-CH2 4.49Å; A139-W583 HydrophobicContact CB-CZ2 3.89Å |
| 140 | A | 91.7 | Very high | 91.3 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 21% | 0.207 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -32.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I126 H136 Q137 F138 E143 | I126-A140 HydrophobicContact CD1-CB 4.45Å; I126-A140 HydrophobicContact CG2-CB 4.09Å; H136-A140 WeakPolarHBondContact O-CB 3.32Å; H136-A140 PolarHBondContact O-N 3.43Å; Q137-A140 PolarHBondContact O-N 3.5Å; F138-A140 PolarHBondContact O-N 3.13Å; A140-E143 PolarHBondContact O-N 3.27Å |
| 141 | I | 92.7 | Very high | 91.8 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.9 | -39.2 | 174.9 | -70.7 | 164.3 | 0 | 0 | 0 | 111.3 | I126 I128 Q137 F138 A139 E143 N144 P145 V158 M162 L164 | I126-I141 HydrophobicContact CD1-CG1 3.59Å; I128-I141 HydrophobicContact CD1-CD1 3.42Å; I128-I141 VanDerWaalsContact CD1-CD1 3.42Å; I128-I141 HydrophobicContact CD1-CG1 3.91Å; I128-I141 HydrophobicContact CG1-CD1 4.47Å; Q137-I141 WeakPolarHBondContact O-CG1 3.16Å; Q137-I141 PolarHBondContact O-N 3.04Å; F138-I141 PolarHBondContact O-N 3.4Å; A139-I141 VanDerWaalsContact C-N 3.3Å; A139-I141 PolarHBondContact O-N 3.23Å; I141-E143 PolarHBondContact O-N 3.03Å; I141-E143 VanDerWaalsContact O-N 3.13Å; I141-N144 PolarHBondContact O-N 3.38Å; I141-P145 VanDerWaalsContact O-CD 3.28Å; I141-P145 WeakPolarHBondContact O-CD 3.46Å; I141-V158 HydrophobicContact CD1-CG1 3.37Å; I141-M162 HydrophobicContact CB-CE 4.14Å; I141-M162 HydrophobicContact CD1-CE 4.37Å; I141-M162 HydrophobicContact CD1-SD 3.67Å; I141-M162 HydrophobicContact CG2-CE 3.87Å; I141-M162 HydrophobicContact CG2-SD 4.49Å; I141-L164 HydrophobicContact CD1-CD2 4.2Å; I141-L164 HydrophobicContact CG2-CD1 3.76Å; I141-L164 HydrophobicContact CG2-CD2 4.42Å |
| 142 | H | 89.4 | Confident | 92.5 | Very high | 77 Ų | 77 | 33 Ų | 33 | 36% | 0.356 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.8 | -15.7 | 176.1 | -89.8 | -82.4 | 0 | 0 | 0 | 113.5 | F138 A139 N144 Y580 W583 | F138-H142 PolarHBondContact O-CD2 2.89Å; F138-H142 VanDerWaalsContact O-CD2 3.3Å; F138-H142 PolarHBondContact O-N 3.47Å; F138-H142 VanDerWaalsContact O-N 3.14Å; A139-H142 WeakPolarHBondContact O-CB 3.43Å; A139-H142 PolarHBondContact O-N 2.98Å; A139-H142 VanDerWaalsContact O-N 3.16Å; H142-N144 PolarHBondContact O-N 3.47Å; H142-Y580 PolarHBondContact CE1-OH 3.32Å; H142-Y580 AromaticContact NE2-CE2 3.75Å; H142-Y580 AromaticContact NE2-CZ 3.74Å; H142-Y580 PolarHBondContact NE2-OH 3.01Å; H142-W583 AromaticContact CD2-CH2 3.77Å; H142-W583 AromaticContact CD2-CZ3 3.68Å; H142-W583 AromaticContact NE2-CZ3 3.87Å |
| 143 | E | 89.8 | Confident | 92.8 | Very high | 101 Ų | 101 | 31.2 Ų | 31.2 | 47% | 0.472 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 8.1 | 173 | -63.4 | 179.9 | -176.3 | 0 | 0 | 114.3 | K124 A139 A140 I141 | K124-E143 WeakPolarHBondContact CE-OE2 3.48Å; K124-E143 VanDerWaalsContact NZ-CB 3.28Å; K124-E143 IonicContact NZ-OE2 2.55Å; K124-E143 PolarHBondContact NZ-OE2 3.12Å; A139-E143 PolarHBondContact O-N 2.84Å; A140-E143 PolarHBondContact O-N 3.27Å; I141-E143 PolarHBondContact O-N 3.03Å; I141-E143 VanDerWaalsContact O-N 3.13Å |
| 144 | N | 91.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 30.4 Ų | 30.4 | 36% | 0.364 | 16% | 0.159 | S | C | . | . | trans | 49.3 | 68.8 | -179.7 | -65 | -26.6 | 0 | 0 | 0 | 113.2 | I141 H142 | I141-N144 PolarHBondContact O-N 3.38Å; H142-N144 PolarHBondContact O-N 3.47Å | ||
| 145 | P | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -76 | 143.2 | 176.7 | 32.2 | -34.4 | 0 | 0 | 0 | 112.1 | C94 I95 K124 I126 I141 | C94-P145 CarbonylContact C-O 3.48Å; I95-P145 WeakPolarHBondContact CA-O 3.32Å; I95-P145 HydrophobicContact CG1-CG 4.32Å; I95-P145 PolarHBondContact N-O 3.19Å; K124-P145 HydrophobicContact CG-CB 4.28Å; I126-P145 HydrophobicContact CB-CB 4.38Å; I126-P145 HydrophobicContact CD1-CB 4.39Å; I126-P145 HydrophobicContact CD1-CG 3.62Å; I126-P145 HydrophobicContact CG1-CB 3.87Å; I126-P145 HydrophobicContact CG1-CG 3.63Å; I126-P145 HydrophobicContact CG2-CB 3.79Å; I126-P145 HydrophobicContact CG2-CG 4.11Å; I141-P145 VanDerWaalsContact O-CD 3.28Å; I141-P145 WeakPolarHBondContact O-CD 3.46Å | ||
| 146 | D | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -75.8 | -37.5 | 175.8 | -54.8 | -89.2 | 0 | 0 | 0 | 112.3 | N90 R96 A97 L123 K124 | N90-D146 PolarHBondContact N-OD1 3.48Å; R96-D146 IonicContact CZ-OD1 3.4Å; R96-D146 PolarHBondContact N-O 2.93Å; R96-D146 IonicContact NE-OD1 2.98Å; R96-D146 PolarHBondContact NE-OD1 2.9Å; R96-D146 IonicContact NH2-OD1 2.64Å; R96-D146 PolarHBondContact NH2-OD1 2.74Å; A97-D146 PolarHBondContact N-O 3.33Å; L123-D146 HydrophobicContact CB-CB 4.48Å; L123-D146 HydrophobicContact CD2-CB 4.1Å; K124-D146 PolarHBondContact N-OD2 2.94Å; K124-D146 PolarHBondContact O-N 3.43Å |
| 147 | V | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 125 | -173.9 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | M82 L86 A97 I99 K124 A125 I126 I149 | M82-V147 HydrophobicContact CE-CG1 3.99Å; M82-V147 HydrophobicContact CE-CG2 3.92Å; M82-V147 HydrophobicContact SD-CG1 3.97Å; M82-V147 HydrophobicContact SD-CG2 4.27Å; L86-V147 HydrophobicContact CD1-CG2 3.67Å; A97-V147 HydrophobicContact CB-CG1 4.46Å; A97-V147 HydrophobicContact CB-CG2 4.36Å; I99-V147 HydrophobicContact CD1-CG1 4.34Å; K124-V147 PolarHBondContact O-N 2.85Å; A125-V147 CarbonylContact C-O 3.57Å; A125-V147 VanDerWaalsContact CA-O 3.24Å; A125-V147 WeakPolarHBondContact CA-O 3.15Å; A125-V147 HydrophobicContact CB-CB 3.96Å; A125-V147 HydrophobicContact CB-CG1 4.44Å; I126-V147 PolarHBondContact N-O 2.95Å; V147-I149 HydrophobicContact CG1-CG1 4.25Å |
| 148 | L | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.3 | 175.1 | 175.4 | 55.4 | 0 | 0 | 0 | 110.8 | I95 A97 L98 I99 I126 I128 A150 L155 | I95-L148 HydrophobicContact CD1-CB 4.31Å; I95-L148 HydrophobicContact CD1-CD2 3.69Å; I95-L148 HydrophobicContact CG1-CB 4.24Å; I95-L148 HydrophobicContact CG2-CB 3.58Å; I95-L148 HydrophobicContact CG2-CD2 4.49Å; A97-L148 PolarHBondContact O-N 3Å; L98-L148 CarbonylContact C-O 3.48Å; L98-L148 WeakPolarHBondContact CA-O 3.5Å; L98-L148 HydrophobicContact CD1-CB 4.18Å; L98-L148 HydrophobicContact CD1-CD2 3.99Å; L98-L148 HydrophobicContact CD1-CG 3.87Å; I99-L148 PolarHBondContact N-O 3.1Å; I126-L148 HydrophobicContact CD1-CD1 3.86Å; I126-L148 HydrophobicContact CG1-CD1 3.77Å; I128-L148 HydrophobicContact CB-CD1 4Å; I128-L148 HydrophobicContact CD1-CD1 3.36Å; I128-L148 HydrophobicContact CD1-CD2 3.95Å; I128-L148 HydrophobicContact CD1-CG 4.31Å; I128-L148 HydrophobicContact CG1-CD1 3.48Å; I128-L148 VanDerWaalsContact CG1-CD1 3.48Å; L148-A150 HydrophobicContact CD1-CB 4.4Å; L148-A150 HydrophobicContact CG-CB 4.43Å; L148-L155 HydrophobicContact CD2-CD1 3.67Å |
| 149 | I | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122 | 175.3 | -51.4 | 167.8 | 0 | 0 | 0 | 108.3 | I99 A107 T110 F111 V114 I126 T127 I128 V147 | I99-I149 HydrophobicContact CB-CG1 4.23Å; I99-I149 HydrophobicContact CB-CG2 4.29Å; I99-I149 HydrophobicContact CD1-CG1 4.15Å; I99-I149 HydrophobicContact CG2-CG2 4.35Å; I99-I149 CarbonylContact O-C 3.47Å; I99-I149 VanDerWaalsContact O-CA 3.32Å; I99-I149 WeakPolarHBondContact O-CA 3.48Å; A107-I149 HydrophobicContact CB-CG2 3.88Å; A107-I149 WeakPolarHBondContact O-CG2 3.27Å; T110-I149 HydrophobicContact CG2-CD1 4.24Å; T110-I149 HydrophobicContact CG2-CG2 4.45Å; F111-I149 HydrophobicContact CB-CD1 3.73Å; F111-I149 HydrophobicContact CD2-CD1 4.01Å; F111-I149 HydrophobicContact CG-CD1 4.4Å; V114-I149 HydrophobicContact CB-CD1 4.45Å; V114-I149 HydrophobicContact CG2-CD1 3.95Å; I126-I149 PolarHBondContact O-N 2.98Å; T127-I149 CarbonylContact C-O 3.59Å; T127-I149 WeakPolarHBondContact CA-O 3.49Å; T127-I149 HydrophobicContact CG2-CB 4.24Å; I128-I149 PolarHBondContact N-O 3Å; V147-I149 HydrophobicContact CG1-CG1 4.25Å |
| 150 | A | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 158.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I99 V100 S101 I128 L148 L155 | I99-A150 PolarHBondContact O-N 2.97Å; V100-A150 WeakPolarHBondContact CA-O 3.26Å; S101-A150 PolarHBondContact N-O 2.98Å; I128-A150 HydrophobicContact CB-CB 3.89Å; I128-A150 HydrophobicContact CG2-CB 4.43Å; I128-A150 WeakPolarHBondContact O-CA 3.46Å; I128-A150 WeakPolarHBondContact O-CB 3.35Å; L148-A150 HydrophobicContact CD1-CB 4.4Å; L148-A150 HydrophobicContact CG-CB 4.43Å; A150-L155 HydrophobicContact CB-CB 3.82Å; A150-L155 HydrophobicContact CB-CD1 4.12Å; A150-L155 HydrophobicContact CB-CD2 4.13Å; A150-L155 HydrophobicContact CB-CG 4.26Å |
| 151 | T | 95.8 | Very high | 93.8 | Very high | 15 Ų | 15 | 19.1 Ų | 19.1 | 9% | 0.092 | 10% | 0.096 | C | C | . | . | trans | -91.3 | 141.2 | 164.5 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | S101 I128 V129 G153 R154 L155 | S101-T151 WeakPolarHBondContact O-CA 3.49Å; I128-T151 PolarHBondContact O-N 2.69Å; V129-T151 HydrophobicContact CG1-CG2 4.18Å; T151-G153 PolarHBondContact O-N 2.83Å; T151-R154 PolarHBondContact O-N 2.86Å; T151-L155 WeakPolarHBondContact O-CB 3.39Å; T151-L155 PolarHBondContact O-N 3.15Å | ||
| 152 | P | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -54.1 | -49.6 | -169.6 | -23.5 | 27.4 | 0 | 0 | 0 | 113.9 | V100 S101 R154 L155 L156 L180 F185 Q188 L189 I192 | V100-P152 HydrophobicContact CG1-CB 4.44Å; V100-P152 HydrophobicContact CG1-CG 3.62Å; S101-P152 WeakPolarHBondContact O-CD 3.32Å; P152-R154 PolarHBondContact O-N 2.79Å; P152-L155 PolarHBondContact O-N 3.25Å; P152-L156 WeakPolarHBondContact O-CB 3.17Å; P152-L156 PolarHBondContact O-N 2.97Å; P152-L180 HydrophobicContact CG-CD2 3.63Å; P152-F185 HydrophobicContact CB-CB 4.08Å; P152-F185 HydrophobicContact CB-CD1 4.2Å; P152-F185 HydrophobicContact CB-CG 4.12Å; P152-F185 HydrophobicContact CG-CB 3.99Å; P152-F185 HydrophobicContact CG-CD1 4.41Å; P152-F185 HydrophobicContact CG-CD2 4.11Å; P152-F185 HydrophobicContact CG-CG 3.93Å; P152-Q188 HydrophobicContact CB-CB 4.13Å; P152-L189 HydrophobicContact CB-CD2 4.11Å; P152-L189 HydrophobicContact CG-CD2 3.94Å; P152-I192 HydrophobicContact CB-CD1 4.33Å |
| 153 | G | 92.8 | Very high | 93.6 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 18% | 0.175 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T151 H157 | T151-G153 PolarHBondContact O-N 2.83Å; G153-H157 PolarHBondContact O-N 2.8Å |
| 154 | R | 93.7 | Very high | 93.6 | Very high | 39 Ų | 39 | 17.5 Ų | 17.5 | 15% | 0.147 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -74.5 | -39.8 | 178.2 | -178.8 | 60.8 | 72.6 | 92.9 | -4.9 | 111.3 | I128 V129 G131 D132 Q137 T151 P152 L156 H157 V158 | I128-R154 HydrophobicContact CG2-CB 4.25Å; I128-R154 HydrophobicContact CG2-CG 3.51Å; V129-R154 VanDerWaalsContact O-CZ 3.31Å; V129-R154 PolarHBondContact O-NH1 3.04Å; G131-R154 VanDerWaalsContact N-NH2 3.15Å; D132-R154 PolarHBondContact O-NH1 3.15Å; D132-R154 PolarHBondContact O-NH2 3.17Å; Q137-R154 VanDerWaalsContact CD-NH1 3.29Å; Q137-R154 VanDerWaalsContact NE2-NH1 3.14Å; T151-R154 PolarHBondContact O-N 2.86Å; P152-R154 PolarHBondContact O-N 2.79Å; R154-L156 PolarHBondContact O-N 2.93Å; R154-H157 PolarHBondContact O-N 3.4Å; R154-V158 HydrophobicContact CG-CG2 4.41Å; R154-V158 WeakPolarHBondContact O-CG2 3.34Å; R154-V158 PolarHBondContact O-N 3.45Å |
| 155 | L | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -54.3 | -53.5 | 174.9 | 178.1 | 57.4 | 0 | 0 | 0 | 110.7 | L98 V100 L148 A150 T151 P152 H157 V158 V159 I192 | L98-L155 HydrophobicContact CD1-CD2 3.8Å; L98-L155 HydrophobicContact CD2-CD2 4.04Å; L98-L155 HydrophobicContact CG-CD2 4.5Å; V100-L155 HydrophobicContact CG2-CD2 4.36Å; L148-L155 HydrophobicContact CD2-CD1 3.67Å; A150-L155 HydrophobicContact CB-CB 3.82Å; A150-L155 HydrophobicContact CB-CD1 4.12Å; A150-L155 HydrophobicContact CB-CD2 4.13Å; A150-L155 HydrophobicContact CB-CG 4.26Å; T151-L155 WeakPolarHBondContact O-CB 3.39Å; T151-L155 PolarHBondContact O-N 3.15Å; P152-L155 PolarHBondContact O-N 3.25Å; L155-H157 VanDerWaalsContact C-N 3.31Å; L155-H157 PolarHBondContact O-N 3.32Å; L155-V158 PolarHBondContact O-N 3.07Å; L155-V158 VanDerWaalsContact O-N 3.15Å; L155-V159 HydrophobicContact CD1-CG2 3.98Å; L155-V159 HydrophobicContact CG-CG2 4.32Å; L155-V159 VanDerWaalsContact O-CG2 3.26Å; L155-V159 WeakPolarHBondContact O-CG2 3.29Å; L155-V159 PolarHBondContact O-N 3.22Å; L155-I192 HydrophobicContact CB-CD1 4.41Å; L155-I192 HydrophobicContact CD2-CD1 3.77Å; L155-I192 HydrophobicContact CD2-CG1 4.22Å; L155-I192 HydrophobicContact CD2-CG2 4.21Å; L155-I192 HydrophobicContact CG-CD1 4.2Å; L155-I192 HydrophobicContact CG-CG1 4.48Å |
| 156 | L | 94.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61 | -40.1 | -178.8 | -178.8 | 60 | 0 | 0 | 0 | 112.4 | P152 R154 V159 I160 Q188 E191 I571 Y575 | P152-L156 WeakPolarHBondContact O-CB 3.17Å; P152-L156 PolarHBondContact O-N 2.97Å; R154-L156 PolarHBondContact O-N 2.93Å; L156-V159 PolarHBondContact O-N 3.03Å; L156-I160 HydrophobicContact CD1-CD1 3.76Å; L156-I160 HydrophobicContact CD1-CG1 4.03Å; L156-I160 HydrophobicContact CG-CD1 3.82Å; L156-I160 HydrophobicContact CG-CG1 4.46Å; L156-I160 WeakPolarHBondContact O-CG1 3.25Å; L156-I160 PolarHBondContact O-N 3.15Å; L156-Q188 HydrophobicContact CD2-CB 3.97Å; L156-Q188 HydrophobicContact CD2-CG 3.83Å; L156-E191 HydrophobicContact CD1-CB 4.17Å; L156-E191 HydrophobicContact CD1-CG 3.46Å; L156-E191 VanDerWaalsContact CD1-CG 3.46Å; L156-E191 HydrophobicContact CD2-CB 4.31Å; L156-E191 HydrophobicContact CD2-CG 4.21Å; L156-E191 HydrophobicContact CG-CG 4.48Å; L156-I571 HydrophobicContact CD2-CD1 4.04Å; L156-Y575 HydrophobicContact CB-CE1 4.14Å; L156-Y575 HydrophobicContact CD2-CD1 4.46Å; L156-Y575 HydrophobicContact CD2-CE1 4.02Å; L156-Y575 HydrophobicContact CG-CD1 4.19Å; L156-Y575 HydrophobicContact CG-CE1 4.04Å |
| 157 | H | 92.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 25.4 Ų | 25.4 | 13% | 0.134 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 174.5 | -174.5 | -172.6 | 0 | 0 | 0 | 112 | G153 R154 L155 V159 E161 Y575 | G153-H157 PolarHBondContact O-N 2.8Å; R154-H157 PolarHBondContact O-N 3.4Å; L155-H157 VanDerWaalsContact C-N 3.31Å; L155-H157 PolarHBondContact O-N 3.32Å; H157-V159 VanDerWaalsContact C-N 3.34Å; H157-V159 PolarHBondContact O-N 3.32Å; H157-E161 WeakPolarHBondContact O-CB 2.96Å; H157-E161 PolarHBondContact O-N 2.97Å; H157-Y575 HydrophobicContact CB-CD1 3.75Å; H157-Y575 HydrophobicContact CB-CE1 4.1Å; H157-Y575 PolarHBondContact CD2-O 2.86Å; H157-Y575 VanDerWaalsContact CD2-O 3.22Å |
| 158 | V | 93.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | I128 M134 F138 I141 R154 L155 E161 M162 | I128-V158 HydrophobicContact CD1-CG1 4.23Å; I128-V158 HydrophobicContact CG2-CB 4.4Å; I128-V158 HydrophobicContact CG2-CG2 3.87Å; M134-V158 HydrophobicContact CE-CG2 3.8Å; M134-V158 HydrophobicContact SD-CG2 4.31Å; F138-V158 HydrophobicContact CE1-CG1 4.5Å; I141-V158 HydrophobicContact CD1-CG1 3.37Å; R154-V158 HydrophobicContact CG-CG2 4.41Å; R154-V158 WeakPolarHBondContact O-CG2 3.34Å; R154-V158 PolarHBondContact O-N 3.45Å; L155-V158 PolarHBondContact O-N 3.07Å; L155-V158 VanDerWaalsContact O-N 3.15Å; V158-E161 PolarHBondContact O-N 2.8Å; V158-M162 HydrophobicContact CG1-CG 4.19Å; V158-M162 HydrophobicContact CG1-SD 3.59Å; V158-M162 VanDerWaalsContact CG1-SD 3.59Å; V158-M162 VanDerWaalsContact O-CB 3.31Å; V158-M162 WeakPolarHBondContact O-CB 3.42Å; V158-M162 PolarHBondContact O-N 3.06Å |
| 159 | V | 93.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 178.8 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | L155 L156 H157 N163 L164 L166 R195 | L155-V159 HydrophobicContact CD1-CG2 3.98Å; L155-V159 HydrophobicContact CG-CG2 4.32Å; L155-V159 VanDerWaalsContact O-CG2 3.26Å; L155-V159 WeakPolarHBondContact O-CG2 3.29Å; L155-V159 PolarHBondContact O-N 3.22Å; L156-V159 PolarHBondContact O-N 3.03Å; H157-V159 VanDerWaalsContact C-N 3.34Å; H157-V159 PolarHBondContact O-N 3.32Å; V159-N163 CarbonylContact O-C 3.57Å; V159-N163 WeakPolarHBondContact O-CA 3.46Å; V159-N163 PolarHBondContact O-N 2.84Å; V159-L164 HydrophobicContact CG2-CB 4.34Å; V159-L164 HydrophobicContact CG2-CD2 4.35Å; V159-L164 PolarHBondContact O-N 3.49Å; V159-L166 HydrophobicContact CG2-CD1 4.1Å; V159-L166 HydrophobicContact CG2-CG 4.44Å; V159-R195 VanDerWaalsContact CG1-CD 3.47Å |
| 160 | I | 91.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 30.7 Ų | 30.7 | 17% | 0.169 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.4 | -43.3 | 178.6 | -67.6 | 169.9 | 0 | 0 | 0 | 111.3 | L156 T565 I571 Y575 K576 | L156-I160 HydrophobicContact CD1-CD1 3.76Å; L156-I160 HydrophobicContact CD1-CG1 4.03Å; L156-I160 HydrophobicContact CG-CD1 3.82Å; L156-I160 HydrophobicContact CG-CG1 4.46Å; L156-I160 WeakPolarHBondContact O-CG1 3.25Å; L156-I160 PolarHBondContact O-N 3.15Å; I160-T565 HydrophobicContact CD1-CG2 4.4Å; I160-I571 HydrophobicContact CD1-CD1 4.32Å; I160-Y575 HydrophobicContact CD1-CD1 4.25Å; I160-Y575 HydrophobicContact CD1-CG 4.36Å; I160-K576 HydrophobicContact CG2-CB 4.4Å |
| 161 | E | 89.5 | Confident | 92.9 | Very high | 15 Ų | 15 | 30.8 Ų | 30.8 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.8 | -39.1 | -174 | -177 | 67.3 | -137.8 | 0 | 0 | 112.4 | F138 H157 V158 S577 D578 K579 Y580 | F138-E161 HydrophobicContact CE1-CG 4.42Å; F138-E161 HydrophobicContact CZ-CG 3.92Å; H157-E161 WeakPolarHBondContact O-CB 2.96Å; H157-E161 PolarHBondContact O-N 2.97Å; V158-E161 PolarHBondContact O-N 2.8Å; E161-S577 WeakPolarHBondContact OE2-CA 3.49Å; E161-S577 PolarHBondContact OE2-N 3.37Å; E161-S577 PolarHBondContact OE2-OG 3.4Å; E161-D578 WeakPolarHBondContact OE1-CA 3.41Å; E161-D578 PolarHBondContact OE1-N 2.77Å; E161-D578 PolarHBondContact OE2-N 2.67Å; E161-K579 PolarHBondContact OE1-N 2.98Å; E161-Y580 PolarHBondContact OE1-N 2.67Å |
| 162 | M | 89 | Confident | 93 | Very high | 20 Ų | 20 | 30 Ų | 30 | 10% | 0.099 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -88.8 | -11.7 | 177.3 | -66.2 | -176.9 | 68.4 | 0 | 0 | 114 | F138 I141 V158 L164 Y580 | F138-M162 HydrophobicContact CB-SD 4.43Å; F138-M162 HydrophobicContact CD1-CE 4.47Å; F138-M162 HydrophobicContact CD1-CG 3.72Å; F138-M162 HydrophobicContact CD1-SD 3.34Å; F138-M162 WeakPolarHBondContact CD1-SD 3.24Å; F138-M162 HydrophobicContact CE1-CG 3.72Å; F138-M162 HydrophobicContact CE1-SD 3.9Å; F138-M162 HydrophobicContact CG-SD 4.22Å; I141-M162 HydrophobicContact CB-CE 4.14Å; I141-M162 HydrophobicContact CD1-CE 4.37Å; I141-M162 HydrophobicContact CD1-SD 3.67Å; I141-M162 HydrophobicContact CG2-CE 3.87Å; I141-M162 HydrophobicContact CG2-SD 4.49Å; V158-M162 HydrophobicContact CG1-CG 4.19Å; V158-M162 HydrophobicContact CG1-SD 3.59Å; V158-M162 VanDerWaalsContact CG1-SD 3.59Å; V158-M162 VanDerWaalsContact O-CB 3.31Å; V158-M162 WeakPolarHBondContact O-CB 3.42Å; V158-M162 PolarHBondContact O-N 3.06Å; M162-L164 VanDerWaalsContact C-N 3.25Å; M162-L164 HydrophobicContact CB-CB 4.32Å; M162-Y580 HydrophobicContact CB-CD1 4.21Å; M162-Y580 HydrophobicContact CB-CE1 4.19Å; M162-Y580 HydrophobicContact CB-CG 4.4Å; M162-Y580 HydrophobicContact CE-CD2 4.29Å; M162-Y580 HydrophobicContact CE-CE2 3.63Å; M162-Y580 HydrophobicContact CG-CD1 4.08Å; M162-Y580 HydrophobicContact CG-CD2 3.69Å; M162-Y580 HydrophobicContact CG-CE1 4.26Å; M162-Y580 HydrophobicContact CG-CE2 3.92Å; M162-Y580 HydrophobicContact CG-CG 3.77Å; M162-Y580 HydrophobicContact SD-CD2 4.43Å; M162-Y580 HydrophobicContact SD-CE2 4.34Å |
| 163 | N | 88.5 | Confident | 93.1 | Very high | 107 Ų | 107 | 30 Ų | 30 | 57% | 0.572 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 47 | -160.8 | -159.3 | 25.7 | 0 | 0 | 0 | 111.9 | V159 S165 | V159-N163 CarbonylContact O-C 3.57Å; V159-N163 WeakPolarHBondContact O-CA 3.46Å; V159-N163 PolarHBondContact O-N 2.84Å; N163-S165 PolarHBondContact O-N 2.92Å |
| 164 | L | 90.7 | Very high | 93.4 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 12% | 0.115 | 16% | 0.16 | C | C | . | . | trans | -68.8 | 121.3 | -174.8 | -176.6 | 62.9 | 0 | 0 | 0 | 110.3 | I95 I141 V159 M162 L166 | I95-L164 HydrophobicContact CD1-CD1 4.47Å; I95-L164 HydrophobicContact CD1-CD2 3.86Å; I95-L164 HydrophobicContact CD1-CG 4.46Å; I141-L164 HydrophobicContact CD1-CD2 4.2Å; I141-L164 HydrophobicContact CG2-CD1 3.76Å; I141-L164 HydrophobicContact CG2-CD2 4.42Å; V159-L164 HydrophobicContact CG2-CB 4.34Å; V159-L164 HydrophobicContact CG2-CD2 4.35Å; V159-L164 PolarHBondContact O-N 3.49Å; M162-L164 VanDerWaalsContact C-N 3.25Å; M162-L164 HydrophobicContact CB-CB 4.32Å; L164-L166 HydrophobicContact CD2-CD2 4.25Å; L164-L166 HydrophobicContact CG-CD2 4.36Å; L164-L166 PolarHBondContact O-N 3.04Å | ||
| 165 | S | 90.8 | Very high | 93.4 | Very high | 69 Ų | 69 | 27.6 Ų | 27.6 | 48% | 0.483 | 15% | 0.154 | S | C | . | . | trans | -74.9 | 124 | 174.3 | -178 | 0 | 0 | 0 | 0 | 110.7 | N163 K167 | N163-S165 PolarHBondContact O-N 2.92Å; S165-K167 WeakPolarHBondContact OG-CG 3.49Å; S165-K167 PolarHBondContact OG-N 3.41Å | ||
| 166 | L | 93.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | trans | -102.4 | 12.5 | 172.4 | -58.5 | 179.6 | 0 | 0 | 0 | 112.4 | I95 V159 L164 S168 V169 R195 L196 P197 | I95-L166 HydrophobicContact CD1-CD2 4.37Å; V159-L166 HydrophobicContact CG2-CD1 4.1Å; V159-L166 HydrophobicContact CG2-CG 4.44Å; L164-L166 HydrophobicContact CD2-CD2 4.25Å; L164-L166 HydrophobicContact CG-CD2 4.36Å; L164-L166 PolarHBondContact O-N 3.04Å; L166-S168 PolarHBondContact O-N 3.27Å; L166-S168 VanDerWaalsContact O-N 3.17Å; L166-V169 HydrophobicContact CB-CG2 4.1Å; L166-V169 HydrophobicContact CD2-CG2 4.34Å; L166-V169 WeakPolarHBondContact O-CB 3.2Å; L166-V169 VanDerWaalsContact O-CG2 3.3Å; L166-V169 WeakPolarHBondContact O-CG2 3.38Å; L166-V169 PolarHBondContact O-N 2.98Å; L166-V169 VanDerWaalsContact O-N 3.11Å; L166-R195 HydrophobicContact CD1-CB 4.45Å; L166-L196 HydrophobicContact CB-CD2 3.91Å; L166-L196 HydrophobicContact CD1-CD2 4.24Å; L166-P197 VanDerWaalsContact O-CD 3.29Å; L166-P197 WeakPolarHBondContact O-CD 3.42Å | ||
| 167 | K | 91.3 | Very high | 93.1 | Very high | 164 Ų | 164 | 29.8 Ų | 29.8 | 71% | 0.713 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.1 | -174.7 | -64.9 | -174.3 | -179.3 | -175 | 0 | 114.3 | S165 P197 | S165-K167 WeakPolarHBondContact OG-CG 3.49Å; S165-K167 PolarHBondContact OG-N 3.41Å; K167-P197 WeakPolarHBondContact O-CG 3.4Å |
| 168 | S | 92.3 | Very high | 92.9 | Very high | 58 Ų | 58 | 29 Ų | 29 | 41% | 0.406 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -1.2 | 179.6 | -54.7 | 0 | 0 | 0 | 0 | 113.7 | I95 L166 A170 | I95-S168 CarbonylContact O-C 3.38Å; L166-S168 PolarHBondContact O-N 3.27Å; L166-S168 VanDerWaalsContact O-N 3.17Å; S168-A170 PolarHBondContact O-N 2.97Å |
| 169 | V | 95.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | trans | -77 | 108.7 | -178.2 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | I95 R96 L98 L166 V172 L196 P197 | I95-V169 HydrophobicContact CB-CG2 4.32Å; I95-V169 HydrophobicContact CG2-CG2 3.92Å; I95-V169 WeakPolarHBondContact O-CG2 3.34Å; I95-V169 PolarHBondContact O-N 3.09Å; R96-V169 CarbonylContact O-C 3.59Å; R96-V169 WeakPolarHBondContact O-CA 3.48Å; L98-V169 HydrophobicContact CB-CG1 3.82Å; L166-V169 HydrophobicContact CB-CG2 4.1Å; L166-V169 HydrophobicContact CD2-CG2 4.34Å; L166-V169 WeakPolarHBondContact O-CB 3.2Å; L166-V169 VanDerWaalsContact O-CG2 3.3Å; L166-V169 WeakPolarHBondContact O-CG2 3.38Å; L166-V169 PolarHBondContact O-N 2.98Å; L166-V169 VanDerWaalsContact O-N 3.11Å; V169-V172 HydrophobicContact CG1-CG2 3.63Å; V169-L196 HydrophobicContact CB-CD2 3.64Å; V169-L196 HydrophobicContact CG1-CD2 3.73Å; V169-L196 HydrophobicContact CG2-CD2 4.01Å; V169-P197 WeakPolarHBondContact O-CG 3.32Å | ||
| 170 | A | 95 | Very high | 92.6 | Very high | 52 Ų | 52 | 29.4 Ų | 29.4 | 43% | 0.43 | 16% | 0.163 | S | C | . | . | trans | -97.4 | -17.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R96 S168 Q201 | R96-A170 PolarHBondContact O-N 3.29Å; S168-A170 PolarHBondContact O-N 2.97Å; A170-Q201 PolarHBondContact O-N 3.14Å | ||
| 171 | Y | 97.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 115.9 | -175 | -168.3 | -86.6 | 0 | 0 | 0 | 111.6 | I58 F78 M82 R96 A97 L98 V173 Q201 L203 | I58-Y171 HydrophobicContact CG2-CE2 3.8Å; I58-Y171 WeakPolarHBondContact CG2-OH 3.35Å; F78-Y171 PolarHBondContact O-OH 3.27Å; M82-Y171 HydrophobicContact CB-CD1 3.95Å; M82-Y171 HydrophobicContact CB-CE1 3.5Å; M82-Y171 VanDerWaalsContact CB-CE1 3.5Å; M82-Y171 HydrophobicContact CB-CE2 4.44Å; M82-Y171 HydrophobicContact CG-CD1 3.67Å; M82-Y171 HydrophobicContact CG-CE1 3.74Å; M82-Y171 HydrophobicContact CG-CG 4.27Å; M82-Y171 HydrophobicContact SD-CD1 4.32Å; M82-Y171 HydrophobicContact SD-CE1 4.38Å; R96-Y171 PolarHBondContact O-N 3.37Å; A97-Y171 CarbonylContact C-O 3.52Å; A97-Y171 WeakPolarHBondContact CA-O 3.46Å; A97-Y171 HydrophobicContact CB-CD1 4.32Å; L98-Y171 PolarHBondContact N-O 3.33Å; Y171-V173 HydrophobicContact CD1-CG2 3.93Å; Y171-V173 HydrophobicContact CE1-CG2 3.37Å; Y171-Q201 HydrophobicContact CD2-CB 4.42Å; Y171-Q201 VanDerWaalsContact CD2-OE1 3.29Å; Y171-Q201 VanDerWaalsContact CE2-OE1 3.23Å; Y171-L203 HydrophobicContact CE1-CD1 4.04Å; Y171-L203 HydrophobicContact CE2-CD1 3.99Å; Y171-L203 VanDerWaalsContact CZ-CD1 3.42Å; Y171-L203 WeakPolarHBondContact OH-CD1 3.44Å |
| 172 | V | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.7 | -175.9 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | L98 V169 F174 L196 Q201 T202 L203 | L98-V172 HydrophobicContact CB-CG2 4.48Å; L98-V172 CarbonylContact O-C 3.59Å; L98-V172 VanDerWaalsContact O-CA 3.32Å; L98-V172 WeakPolarHBondContact O-CA 3.19Å; V169-V172 HydrophobicContact CG1-CG2 3.63Å; V172-F174 HydrophobicContact CG1-CD2 4.21Å; V172-F174 HydrophobicContact CG1-CE2 3.63Å; V172-F174 HydrophobicContact CG1-CZ 3.94Å; V172-L196 HydrophobicContact CG1-CD1 4.31Å; V172-L196 HydrophobicContact CG2-CD1 3.99Å; V172-L196 HydrophobicContact CG2-CD2 4.16Å; V172-Q201 PolarHBondContact N-O 3.22Å; V172-T202 HydrophobicContact CB-CG2 4.44Å; V172-T202 CarbonylContact O-C 3.5Å; V172-T202 WeakPolarHBondContact O-CA 3.41Å; V172-L203 PolarHBondContact O-N 2.83Å |
| 173 | V | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.6 | 175.7 | -174.6 | 0 | 0 | 0 | 0 | 110 | F78 L98 I99 V100 Y171 L203 F205 | F78-V173 HydrophobicContact CB-CG1 4.24Å; F78-V173 HydrophobicContact CB-CG2 4.17Å; F78-V173 HydrophobicContact CD1-CG1 3.89Å; F78-V173 HydrophobicContact CD2-CB 4.45Å; F78-V173 HydrophobicContact CD2-CG1 3.92Å; F78-V173 HydrophobicContact CD2-CG2 4.08Å; F78-V173 HydrophobicContact CE1-CG1 4.1Å; F78-V173 HydrophobicContact CE2-CG1 4.17Å; F78-V173 HydrophobicContact CG-CG1 3.78Å; F78-V173 HydrophobicContact CG-CG2 4.27Å; F78-V173 HydrophobicContact CZ-CG1 4.25Å; L98-V173 PolarHBondContact O-N 3.42Å; I99-V173 CarbonylContact C-O 3.56Å; I99-V173 WeakPolarHBondContact CA-O 3.43Å; I99-V173 HydrophobicContact CG1-CB 4.14Å; I99-V173 HydrophobicContact CG1-CG2 4.27Å; I99-V173 HydrophobicContact CG2-CB 4.32Å; V100-V173 PolarHBondContact N-O 3.16Å; Y171-V173 HydrophobicContact CD1-CG2 3.93Å; Y171-V173 HydrophobicContact CE1-CG2 3.37Å; V173-L203 CarbonylContact C-O 3.55Å; V173-L203 WeakPolarHBondContact CA-O 3.2Å; V173-L203 HydrophobicContact CG2-CB 4.34Å; V173-L203 HydrophobicContact CG2-CD1 4.16Å; V173-F205 HydrophobicContact CG1-CD2 4.17Å |
| 174 | F | 97.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 107.7 | 164.4 | -57.7 | -89.6 | 0 | 0 | 0 | 109.1 | V100 V172 A177 L180 L189 L193 T202 L203 L204 F205 F216 | V100-F174 HydrophobicContact CB-CD1 3.8Å; V100-F174 HydrophobicContact CB-CE1 4.17Å; V100-F174 HydrophobicContact CG1-CD1 4.17Å; V100-F174 HydrophobicContact CG1-CE1 4.48Å; V100-F174 HydrophobicContact CG2-CD1 4.14Å; V100-F174 HydrophobicContact CG2-CE1 4Å; V172-F174 HydrophobicContact CG1-CD2 4.21Å; V172-F174 HydrophobicContact CG1-CE2 3.63Å; V172-F174 HydrophobicContact CG1-CZ 3.94Å; F174-A177 HydrophobicContact CB-CB 4.31Å; F174-L180 HydrophobicContact CB-CD1 3.98Å; F174-L180 HydrophobicContact CD1-CD1 4.03Å; F174-L189 HydrophobicContact CD1-CD2 3.85Å; F174-L189 HydrophobicContact CE1-CD2 3.64Å; F174-L193 HydrophobicContact CE2-CD2 4.12Å; F174-L193 HydrophobicContact CZ-CD2 3.76Å; F174-L193 HydrophobicContact CZ-CG 4.32Å; F174-T202 HydrophobicContact CD2-CG2 4.09Å; F174-T202 HydrophobicContact CE2-CG2 3.77Å; F174-L203 PolarHBondContact N-O 2.94Å; F174-L204 HydrophobicContact CB-CD2 3.54Å; F174-L204 HydrophobicContact CD2-CD2 3.37Å; F174-L204 HydrophobicContact CE2-CD2 4.32Å; F174-L204 HydrophobicContact CG-CD2 3.72Å; F174-F205 PolarHBondContact O-N 2.89Å; F174-F216 HydrophobicContact CD2-CE1 4.36Å; F174-F216 HydrophobicContact CE1-CZ 4.18Å; F174-F216 HydrophobicContact CE2-CE1 4.21Å; F174-F216 HydrophobicContact CE2-CZ 4.23Å; F174-F216 HydrophobicContact CZ-CE1 4.36Å; F174-F216 AromaticContact CZ-CZ 3.95Å; F174-F216 HydrophobicContact CZ-CZ 3.95Å |
| 175 | D | 95 | Very high | 91.8 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 143.5 | 179 | -168.2 | 19 | 0 | 0 | 0 | 110.9 | F78 V100 P102 A177 | F78-D175 HydrophobicContact CE1-CB 4.44Å; F78-D175 HydrophobicContact CZ-CB 4.4Å; V100-D175 PolarHBondContact O-N 3.35Å; P102-D175 WeakPolarHBondContact CD-O 3.29Å; D175-A177 VanDerWaalsContact C-N 3.29Å; D175-A177 PolarHBondContact O-N 3.44Å |
| 176 | E | 90.9 | Very high | 91.7 | Very high | 46 Ų | 46 | 32.8 Ų | 32.8 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 51.8 | -170.5 | -65.5 | -165.5 | 177.5 | 0 | 0 | 112.9 | P102 L106 D178 R179 L180 F205 | P102-E176 HydrophobicContact CG-CB 3.85Å; L106-E176 HydrophobicContact CD2-CB 4.25Å; L106-E176 HydrophobicContact CD2-CG 3.8Å; E176-D178 PolarHBondContact O-N 2.89Å; E176-R179 HydrophobicContact CB-CB 4.26Å; E176-R179 HydrophobicContact CB-CG 4.31Å; E176-R179 WeakPolarHBondContact O-CA 3.31Å; E176-R179 WeakPolarHBondContact O-CB 3.43Å; E176-R179 PolarHBondContact O-N 3.1Å; E176-L180 PolarHBondContact O-N 2.89Å; E176-F205 WeakPolarHBondContact CA-O 3.49Å; E176-F205 PolarHBondContact N-O 3.2Å |
| 177 | A | 92.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.2 | -40.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F174 D175 R179 L180 F181 L204 F205 L213 | F174-A177 HydrophobicContact CB-CB 4.31Å; D175-A177 VanDerWaalsContact C-N 3.29Å; D175-A177 PolarHBondContact O-N 3.44Å; A177-R179 PolarHBondContact O-N 3.03Å; A177-R179 VanDerWaalsContact O-N 3.16Å; A177-L180 WeakPolarHBondContact O-CB 3.49Å; A177-L180 PolarHBondContact O-N 3.27Å; A177-F181 WeakPolarHBondContact O-CD2 3.28Å; A177-F181 PolarHBondContact O-N 3.18Å; A177-L204 HydrophobicContact CB-CD2 4.43Å; A177-F205 PolarHBondContact N-O 3.29Å; A177-L213 HydrophobicContact CB-CD1 3.73Å; A177-L213 HydrophobicContact CB-CD2 3.89Å |
| 178 | D | 89.1 | Confident | 91.5 | Very high | 12 Ų | 12 | 33.4 Ų | 33.4 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.8 | -33.4 | 172 | 56.1 | -18.4 | 0 | 0 | 0 | 113.7 | E176 E182 S206 T208 P210 | E176-D178 PolarHBondContact O-N 2.89Å; D178-E182 PolarHBondContact O-N 2.8Å; D178-E182 VanDerWaalsContact O-N 3.08Å; D178-S206 WeakPolarHBondContact CB-OG 3.45Å; D178-S206 PolarHBondContact N-OG 3.25Å; D178-S206 PolarHBondContact OD1-OG 3.06Å; D178-S206 PolarHBondContact OD2-OG 3.22Å; D178-T208 PolarHBondContact OD2-N 3.12Å; D178-T208 PolarHBondContact OD2-OG1 3.19Å; D178-P210 HydrophobicContact CB-CG 4.45Å |
| 179 | R | 86.8 | Confident | 91.6 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 4% | 0.038 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -76.8 | -28.9 | 176.2 | -63.2 | -62.4 | 176.8 | 172.8 | -7.2 | 113.4 | P102 E176 A177 F181 E182 L183 H354 | P102-R179 HydrophobicContact CB-CB 4.19Å; P102-R179 HydrophobicContact CG-CB 4.14Å; E176-R179 HydrophobicContact CB-CB 4.26Å; E176-R179 HydrophobicContact CB-CG 4.31Å; E176-R179 WeakPolarHBondContact O-CA 3.31Å; E176-R179 WeakPolarHBondContact O-CB 3.43Å; E176-R179 PolarHBondContact O-N 3.1Å; A177-R179 PolarHBondContact O-N 3.03Å; A177-R179 VanDerWaalsContact O-N 3.16Å; R179-F181 VanDerWaalsContact C-N 3.27Å; R179-F181 PolarHBondContact O-N 3.26Å; R179-E182 VanDerWaalsContact CD-OE2 3.25Å; R179-E182 WeakPolarHBondContact CD-OE2 3.25Å; R179-E182 IonicContact CZ-OE2 2.92Å; R179-E182 IonicContact NE-OE2 3.84Å; R179-E182 VanDerWaalsContact NH1-CD 3.3Å; R179-E182 IonicContact NH1-OE1 3.58Å; R179-E182 PolarHBondContact NH1-OE1 3.35Å; R179-E182 IonicContact NH1-OE2 3.9Å; R179-E182 PolarHBondContact NH1-OE2 3.41Å; R179-E182 PolarHBondContact O-N 3.38Å; R179-L183 WeakPolarHBondContact O-CB 3.44Å; R179-L183 VanDerWaalsContact O-CG 3.29Å; R179-L183 WeakPolarHBondContact O-CG 3.23Å; R179-L183 PolarHBondContact O-N 2.71Å; R179-H354 PolarHBondContact NH2-CD2 3.4Å; R179-H354 PolarHBondContact NH2-NE2 3.45Å |
| 180 | L | 91.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 173.4 | -64.9 | 168.4 | 0 | 0 | 0 | 110.8 | V100 P102 P152 F174 E176 A177 G184 F185 L189 | V100-L180 HydrophobicContact CG1-CD1 4.33Å; V100-L180 HydrophobicContact CG1-CD2 4.22Å; P102-L180 HydrophobicContact CB-CD2 3.85Å; P102-L180 HydrophobicContact CB-CG 4.34Å; P152-L180 HydrophobicContact CG-CD2 3.63Å; F174-L180 HydrophobicContact CB-CD1 3.98Å; F174-L180 HydrophobicContact CD1-CD1 4.03Å; E176-L180 PolarHBondContact O-N 2.89Å; A177-L180 WeakPolarHBondContact O-CB 3.49Å; A177-L180 PolarHBondContact O-N 3.27Å; L180-G184 PolarHBondContact O-N 3.18Å; L180-F185 HydrophobicContact CD2-CD2 4.4Å; L180-F185 WeakPolarHBondContact O-CB 3.4Å; L180-F185 PolarHBondContact O-N 2.9Å; L180-L189 HydrophobicContact CB-CD1 3.91Å; L180-L189 HydrophobicContact CD1-CD1 4.22Å; L180-L189 HydrophobicContact CD1-CD2 4.25Å |
| 181 | F | 89 | Confident | 91.1 | Very high | 20 Ų | 20 | 34.8 Ų | 34.8 | 9% | 0.088 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.9 | -41.2 | 177.1 | -74.1 | -98.6 | 0 | 0 | 0 | 112.4 | A177 R179 L183 G184 E186 L189 L213 F216 | A177-F181 WeakPolarHBondContact O-CD2 3.28Å; A177-F181 PolarHBondContact O-N 3.18Å; R179-F181 VanDerWaalsContact C-N 3.27Å; R179-F181 PolarHBondContact O-N 3.26Å; F181-L183 PolarHBondContact O-N 3.32Å; F181-G184 PolarHBondContact O-N 3.36Å; F181-E186 HydrophobicContact CD1-CB 4.08Å; F181-E186 HydrophobicContact CD1-CG 4.16Å; F181-E186 HydrophobicContact CE1-CB 4.02Å; F181-E186 HydrophobicContact CE1-CG 3.7Å; F181-L189 HydrophobicContact CD2-CD1 4.48Å; F181-L189 HydrophobicContact CE2-CD1 3.86Å; F181-L189 HydrophobicContact CZ-CD1 4.15Å; F181-L213 HydrophobicContact CD2-CD1 3.93Å; F181-L213 HydrophobicContact CE2-CD1 3.54Å; F181-L213 HydrophobicContact CZ-CD1 4.31Å; F181-F216 HydrophobicContact CE1-CB 4.01Å; F181-F216 HydrophobicContact CE1-CD2 4.42Å; F181-F216 HydrophobicContact CE1-CG 4.33Å; F181-F216 HydrophobicContact CE2-CB 4.31Å; F181-F216 HydrophobicContact CE2-CD1 4.17Å; F181-F216 HydrophobicContact CE2-CG 4.11Å; F181-F216 HydrophobicContact CZ-CB 3.44Å; F181-F216 VanDerWaalsContact CZ-CB 3.44Å; F181-F216 AromaticContact CZ-CD1 3.91Å; F181-F216 HydrophobicContact CZ-CD1 3.91Å; F181-F216 AromaticContact CZ-CD2 3.61Å; F181-F216 HydrophobicContact CZ-CD2 3.61Å; F181-F216 HydrophobicContact CZ-CE2 4.24Å; F181-F216 AromaticContact CZ-CG 3.39Å; F181-F216 HydrophobicContact CZ-CG 3.39Å |
| 182 | E | 84 | Confident | 90.9 | Very high | 88 Ų | 88 | 34.8 Ų | 34.8 | 41% | 0.411 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62 | -30.1 | 177 | -173.5 | 177.9 | -174.3 | 0 | 0 | 112.9 | D178 R179 G184 K348 | D178-E182 PolarHBondContact O-N 2.8Å; D178-E182 VanDerWaalsContact O-N 3.08Å; R179-E182 VanDerWaalsContact CD-OE2 3.25Å; R179-E182 WeakPolarHBondContact CD-OE2 3.25Å; R179-E182 IonicContact CZ-OE2 2.92Å; R179-E182 IonicContact NE-OE2 3.84Å; R179-E182 VanDerWaalsContact NH1-CD 3.3Å; R179-E182 IonicContact NH1-OE1 3.58Å; R179-E182 PolarHBondContact NH1-OE1 3.35Å; R179-E182 IonicContact NH1-OE2 3.9Å; R179-E182 PolarHBondContact NH1-OE2 3.41Å; R179-E182 PolarHBondContact O-N 3.38Å; E182-G184 VanDerWaalsContact C-N 3.27Å; E182-K348 IonicContact OE1-NZ 2.74Å; E182-K348 PolarHBondContact OE1-NZ 3.05Å |
| 183 | L | 83.5 | Confident | 90.7 | Very high | 70 Ų | 70 | 35.7 Ų | 35.7 | 37% | 0.366 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 1.2 | 174.9 | -66.9 | 174.8 | 0 | 0 | 0 | 113.4 | P102 R179 F181 F185 | P102-L183 HydrophobicContact CB-CD1 3.91Å; R179-L183 WeakPolarHBondContact O-CB 3.44Å; R179-L183 VanDerWaalsContact O-CG 3.29Å; R179-L183 WeakPolarHBondContact O-CG 3.23Å; R179-L183 PolarHBondContact O-N 2.71Å; F181-L183 PolarHBondContact O-N 3.32Å; L183-F185 HydrophobicContact CB-CD2 3.7Å; L183-F185 HydrophobicContact CB-CE2 3.6Å; L183-F185 HydrophobicContact CB-CZ 4.46Å; L183-F185 HydrophobicContact CD1-CD2 4.4Å; L183-F185 HydrophobicContact CD1-CE2 3.82Å; L183-F185 HydrophobicContact CG-CE2 4.37Å |
| 184 | G | 85.8 | Confident | 90.3 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 53% | 0.526 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 27.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L180 F181 E182 E186 | L180-G184 PolarHBondContact O-N 3.18Å; F181-G184 PolarHBondContact O-N 3.36Å; E182-G184 VanDerWaalsContact C-N 3.27Å; G184-E186 PolarHBondContact O-N 2.88Å |
| 185 | F | 90.3 | Very high | 90.1 | Very high | 48 Ų | 48 | 42.8 Ų | 42.8 | 21% | 0.211 | 21% | 0.211 | C | C | . | . | trans | -83.8 | 7 | 179.1 | -68.1 | -56.8 | 0 | 0 | 0 | 114.7 | P152 L180 L183 E187 Q188 L189 | P152-F185 HydrophobicContact CB-CB 4.08Å; P152-F185 HydrophobicContact CB-CD1 4.2Å; P152-F185 HydrophobicContact CB-CG 4.12Å; P152-F185 HydrophobicContact CG-CB 3.99Å; P152-F185 HydrophobicContact CG-CD1 4.41Å; P152-F185 HydrophobicContact CG-CD2 4.11Å; P152-F185 HydrophobicContact CG-CG 3.93Å; L180-F185 HydrophobicContact CD2-CD2 4.4Å; L180-F185 WeakPolarHBondContact O-CB 3.4Å; L180-F185 PolarHBondContact O-N 2.9Å; L183-F185 HydrophobicContact CB-CD2 3.7Å; L183-F185 HydrophobicContact CB-CE2 3.6Å; L183-F185 HydrophobicContact CB-CZ 4.46Å; L183-F185 HydrophobicContact CD1-CD2 4.4Å; L183-F185 HydrophobicContact CD1-CE2 3.82Å; L183-F185 HydrophobicContact CG-CE2 4.37Å; F185-E187 PolarHBondContact O-N 2.77Å; F185-Q188 PolarHBondContact O-N 3.18Å; F185-Q188 VanDerWaalsContact O-N 3.15Å; F185-Q188 PolarHBondContact O-OE1 3.31Å; F185-Q188 VanDerWaalsContact O-OE1 3.1Å; F185-L189 HydrophobicContact CB-CG 4.48Å; F185-L189 VanDerWaalsContact O-CG 3.29Å; F185-L189 WeakPolarHBondContact O-CG 3.49Å; F185-L189 PolarHBondContact O-N 2.99Å | ||
| 186 | E | 89.3 | Confident | 90 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 28% | 0.276 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -55.7 | -45.9 | -172.5 | -180 | 169.7 | -177 | 0 | 0 | 113 | F181 G184 Q188 L189 R190 | F181-E186 HydrophobicContact CD1-CB 4.08Å; F181-E186 HydrophobicContact CD1-CG 4.16Å; F181-E186 HydrophobicContact CE1-CB 4.02Å; F181-E186 HydrophobicContact CE1-CG 3.7Å; G184-E186 PolarHBondContact O-N 2.88Å; E186-Q188 VanDerWaalsContact C-N 3.34Å; E186-Q188 PolarHBondContact O-N 3.37Å; E186-L189 PolarHBondContact O-N 3.03Å; E186-R190 WeakPolarHBondContact O-CG 3.23Å; E186-R190 PolarHBondContact O-N 3.07Å; E186-R190 IonicContact OE1-CZ 2.83Å; E186-R190 IonicContact OE1-NE 3.41Å; E186-R190 PolarHBondContact OE1-NE 3.45Å; E186-R190 IonicContact OE1-NH2 3.52Å; E186-R190 PolarHBondContact OE1-NH2 3.18Å |
| 187 | E | 88.6 | Confident | 90.1 | Very high | 149 Ų | 149 | 42.5 Ų | 42.5 | 70% | 0.696 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.4 | -43.8 | 178.7 | -65.6 | -175.8 | 167.1 | 0 | 0 | 111.8 | F185 R190 E191 | F185-E187 PolarHBondContact O-N 2.77Å; E187-R190 PolarHBondContact O-N 2.87Å; E187-E191 PolarHBondContact O-N 3.47Å; E187-E191 VanDerWaalsContact O-N 3.12Å |
| 188 | Q | 91.8 | Very high | 89.9 | Confident | 31 Ų | 31 | 45.6 Ų | 45.6 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -38.4 | 179.6 | -61.7 | 80.9 | 4.5 | 0 | 0 | 111.2 | P152 L156 F185 E186 E191 I192 | P152-Q188 HydrophobicContact CB-CB 4.13Å; L156-Q188 HydrophobicContact CD2-CB 3.97Å; L156-Q188 HydrophobicContact CD2-CG 3.83Å; F185-Q188 PolarHBondContact O-N 3.18Å; F185-Q188 VanDerWaalsContact O-N 3.15Å; F185-Q188 PolarHBondContact O-OE1 3.31Å; F185-Q188 VanDerWaalsContact O-OE1 3.1Å; E186-Q188 VanDerWaalsContact C-N 3.34Å; E186-Q188 PolarHBondContact O-N 3.37Å; Q188-E191 PolarHBondContact O-N 3.16Å; Q188-I192 VanDerWaalsContact O-CD1 3.3Å; Q188-I192 WeakPolarHBondContact O-CD1 3.45Å; Q188-I192 WeakPolarHBondContact O-CG1 3.49Å; Q188-I192 PolarHBondContact O-N 3.39Å |
| 189 | L | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 177.5 | -63.9 | 174 | 0 | 0 | 0 | 111.8 | V100 P152 F174 L180 F181 F185 E186 E191 I192 L193 F216 | V100-L189 HydrophobicContact CG1-CD2 3.88Å; P152-L189 HydrophobicContact CB-CD2 4.11Å; P152-L189 HydrophobicContact CG-CD2 3.94Å; F174-L189 HydrophobicContact CD1-CD2 3.85Å; F174-L189 HydrophobicContact CE1-CD2 3.64Å; L180-L189 HydrophobicContact CB-CD1 3.91Å; L180-L189 HydrophobicContact CD1-CD1 4.22Å; L180-L189 HydrophobicContact CD1-CD2 4.25Å; F181-L189 HydrophobicContact CD2-CD1 4.48Å; F181-L189 HydrophobicContact CE2-CD1 3.86Å; F181-L189 HydrophobicContact CZ-CD1 4.15Å; F185-L189 HydrophobicContact CB-CG 4.48Å; F185-L189 VanDerWaalsContact O-CG 3.29Å; F185-L189 WeakPolarHBondContact O-CG 3.49Å; F185-L189 PolarHBondContact O-N 2.99Å; E186-L189 PolarHBondContact O-N 3.03Å; L189-E191 VanDerWaalsContact C-N 3.33Å; L189-E191 PolarHBondContact O-N 3.45Å; L189-I192 PolarHBondContact O-N 3.41Å; L189-L193 WeakPolarHBondContact O-CG 3.41Å; L189-L193 PolarHBondContact O-N 2.93Å; L189-F216 HydrophobicContact CB-CE2 3.89Å; L189-F216 HydrophobicContact CB-CZ 4.12Å; L189-F216 HydrophobicContact CD1-CZ 4.44Å |
| 190 | R | 91 | Very high | 90.4 | Very high | 138 Ų | 138 | 53.9 Ų | 53.9 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 176.3 | -70.7 | -178.3 | -174.7 | -158.9 | 1.7 | 111.4 | E186 E187 I192 L193 N194 | E186-R190 WeakPolarHBondContact O-CG 3.23Å; E186-R190 PolarHBondContact O-N 3.07Å; E186-R190 IonicContact OE1-CZ 2.83Å; E186-R190 IonicContact OE1-NE 3.41Å; E186-R190 PolarHBondContact OE1-NE 3.45Å; E186-R190 IonicContact OE1-NH2 3.52Å; E186-R190 PolarHBondContact OE1-NH2 3.18Å; E187-R190 PolarHBondContact O-N 2.87Å; R190-I192 PolarHBondContact O-N 3.19Å; R190-L193 PolarHBondContact O-N 2.96Å; R190-N194 VanDerWaalsContact O-CG 3.29Å; R190-N194 PolarHBondContact O-N 3.29Å; R190-N194 PolarHBondContact O-ND2 3.17Å |
| 191 | E | 90.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 176.5 | -178.2 | 62.1 | -167.8 | 0 | 0 | 112.6 | L156 E187 Q188 L189 N194 R195 T565 S567 I571 | L156-E191 HydrophobicContact CD1-CB 4.17Å; L156-E191 HydrophobicContact CD1-CG 3.46Å; L156-E191 VanDerWaalsContact CD1-CG 3.46Å; L156-E191 HydrophobicContact CD2-CB 4.31Å; L156-E191 HydrophobicContact CD2-CG 4.21Å; L156-E191 HydrophobicContact CG-CG 4.48Å; E187-E191 PolarHBondContact O-N 3.47Å; E187-E191 VanDerWaalsContact O-N 3.12Å; Q188-E191 PolarHBondContact O-N 3.16Å; L189-E191 VanDerWaalsContact C-N 3.33Å; L189-E191 PolarHBondContact O-N 3.45Å; E191-N194 PolarHBondContact O-N 2.72Å; E191-R195 WeakPolarHBondContact O-CG 3.36Å; E191-R195 IonicContact OE1-CZ 3.29Å; E191-R195 IonicContact OE1-NE 3.37Å; E191-R195 PolarHBondContact OE1-NE 2.84Å; E191-R195 VanDerWaalsContact OE1-NE 3.09Å; E191-R195 IonicContact OE1-NH2 3.91Å; E191-R195 PolarHBondContact OE1-NH2 3.27Å; E191-T565 WeakPolarHBondContact OE1-CB 3.31Å; E191-S567 VanDerWaalsContact CD-OG 3.27Å; E191-S567 PolarHBondContact OE1-OG 3.27Å; E191-S567 WeakPolarHBondContact OE2-CB 3.49Å; E191-S567 PolarHBondContact OE2-OG 2.86Å; E191-I571 HydrophobicContact CB-CD1 4.41Å; E191-I571 HydrophobicContact CG-CD1 3.86Å |
| 192 | I | 93.4 | Very high | 91 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 174.1 | -69.5 | 157.9 | 0 | 0 | 0 | 110.5 | L98 P152 L155 Q188 L189 R190 N194 R195 L196 | L98-I192 HydrophobicContact CD2-CG2 4.11Å; P152-I192 HydrophobicContact CB-CD1 4.33Å; L155-I192 HydrophobicContact CB-CD1 4.41Å; L155-I192 HydrophobicContact CD2-CD1 3.77Å; L155-I192 HydrophobicContact CD2-CG1 4.22Å; L155-I192 HydrophobicContact CD2-CG2 4.21Å; L155-I192 HydrophobicContact CG-CD1 4.2Å; L155-I192 HydrophobicContact CG-CG1 4.48Å; Q188-I192 VanDerWaalsContact O-CD1 3.3Å; Q188-I192 WeakPolarHBondContact O-CD1 3.45Å; Q188-I192 WeakPolarHBondContact O-CG1 3.49Å; Q188-I192 PolarHBondContact O-N 3.39Å; L189-I192 PolarHBondContact O-N 3.41Å; R190-I192 PolarHBondContact O-N 3.19Å; I192-N194 VanDerWaalsContact C-N 3.31Å; I192-N194 PolarHBondContact O-N 3.27Å; I192-R195 PolarHBondContact O-N 3.48Å; I192-R195 VanDerWaalsContact O-N 3.08Å; I192-L196 HydrophobicContact CG2-CD1 4.01Å; I192-L196 WeakPolarHBondContact O-CG 3.38Å; I192-L196 PolarHBondContact O-N 3.48Å |
| 193 | L | 91.7 | Very high | 91.7 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 177 | -76.4 | -177.6 | 0 | 0 | 0 | 112.4 | F174 L189 R190 R195 L196 F216 | F174-L193 HydrophobicContact CE2-CD2 4.12Å; F174-L193 HydrophobicContact CZ-CD2 3.76Å; F174-L193 HydrophobicContact CZ-CG 4.32Å; L189-L193 WeakPolarHBondContact O-CG 3.41Å; L189-L193 PolarHBondContact O-N 2.93Å; R190-L193 PolarHBondContact O-N 2.96Å; L193-R195 PolarHBondContact O-N 3.5Å; L193-R195 VanDerWaalsContact O-N 3.17Å; L193-L196 HydrophobicContact CD2-CD1 4.18Å; L193-L196 PolarHBondContact O-N 3.15Å; L193-L196 VanDerWaalsContact O-N 3.13Å; L193-F216 HydrophobicContact CD1-CD2 4.14Å; L193-F216 HydrophobicContact CD1-CE1 4.35Å; L193-F216 HydrophobicContact CD1-CE2 3.29Å; L193-F216 HydrophobicContact CD1-CZ 3.43Å; L193-F216 VanDerWaalsContact CD1-CZ 3.43Å; L193-F216 HydrophobicContact CG-CE2 4.2Å; L193-F216 HydrophobicContact CG-CZ 4.09Å |
| 194 | N | 91.2 | Very high | 92.3 | Very high | 107 Ų | 107 | 46.4 Ų | 46.4 | 57% | 0.572 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64.5 | -18.5 | 178.2 | -69.7 | -17.3 | 0 | 0 | 0 | 113.7 | R190 E191 I192 | R190-N194 VanDerWaalsContact O-CG 3.29Å; R190-N194 PolarHBondContact O-N 3.29Å; R190-N194 PolarHBondContact O-ND2 3.17Å; E191-N194 PolarHBondContact O-N 2.72Å; I192-N194 VanDerWaalsContact C-N 3.31Å; I192-N194 PolarHBondContact O-N 3.27Å |
| 195 | R | 92.1 | Very high | 92.7 | Very high | 43 Ų | 43 | 44 Ų | 44 | 16% | 0.162 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -97.2 | -10.5 | 178.4 | -66 | 178.3 | -179.8 | -79.6 | -11.9 | 113.2 | V159 L166 E191 I192 L193 E566 | V159-R195 VanDerWaalsContact CG1-CD 3.47Å; L166-R195 HydrophobicContact CD1-CB 4.45Å; E191-R195 WeakPolarHBondContact O-CG 3.36Å; E191-R195 IonicContact OE1-CZ 3.29Å; E191-R195 IonicContact OE1-NE 3.37Å; E191-R195 PolarHBondContact OE1-NE 2.84Å; E191-R195 VanDerWaalsContact OE1-NE 3.09Å; E191-R195 IonicContact OE1-NH2 3.91Å; E191-R195 PolarHBondContact OE1-NH2 3.27Å; I192-R195 PolarHBondContact O-N 3.48Å; I192-R195 VanDerWaalsContact O-N 3.08Å; L193-R195 PolarHBondContact O-N 3.5Å; L193-R195 VanDerWaalsContact O-N 3.17Å; R195-E566 IonicContact CZ-OE2 3.95Å; R195-E566 IonicContact NH1-OE2 3.16Å; R195-E566 PolarHBondContact NH1-OE2 3.47Å; R195-E566 IonicContact NH2-OE2 2.76Å |
| 196 | L | 93.7 | Very high | 92.8 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -86 | 150.1 | 176.9 | -72.1 | 165.1 | 0 | 0 | 0 | 110.3 | L98 L166 V169 V172 I192 L193 | L98-L196 HydrophobicContact CD2-CD1 4.27Å; L98-L196 HydrophobicContact CD2-CD2 4.19Å; L166-L196 HydrophobicContact CB-CD2 3.91Å; L166-L196 HydrophobicContact CD1-CD2 4.24Å; V169-L196 HydrophobicContact CB-CD2 3.64Å; V169-L196 HydrophobicContact CG1-CD2 3.73Å; V169-L196 HydrophobicContact CG2-CD2 4.01Å; V172-L196 HydrophobicContact CG1-CD1 4.31Å; V172-L196 HydrophobicContact CG2-CD1 3.99Å; V172-L196 HydrophobicContact CG2-CD2 4.16Å; I192-L196 HydrophobicContact CG2-CD1 4.01Å; I192-L196 WeakPolarHBondContact O-CG 3.38Å; I192-L196 PolarHBondContact O-N 3.48Å; L193-L196 HydrophobicContact CD2-CD1 4.18Å; L193-L196 PolarHBondContact O-N 3.15Å; L193-L196 VanDerWaalsContact O-N 3.13Å |
| 197 | P | 92.9 | Very high | 92.4 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 21% | 0.208 | 21% | 0.208 | C | C | . | . | trans | -66.1 | 146.4 | 177.2 | 29.8 | -36 | 0 | 0 | 0 | 110.8 | L166 K167 V169 R200 | L166-P197 VanDerWaalsContact O-CD 3.29Å; L166-P197 WeakPolarHBondContact O-CD 3.42Å; K167-P197 WeakPolarHBondContact O-CG 3.4Å; V169-P197 WeakPolarHBondContact O-CG 3.32Å; P197-R200 HydrophobicContact CG-CB 4.45Å; P197-R200 WeakPolarHBondContact O-CD 3.29Å; P197-R200 WeakPolarHBondContact O-CG 3.29Å; P197-R200 PolarHBondContact O-NH1 3.07Å | ||
| 198 | G | 88 | Confident | 91.9 | Very high | 66 Ų | 66 | 34 Ų | 34 | 68% | 0.68 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -65.8 | -37.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | R200 | G198-R200 PolarHBondContact O-N 2.97Š|
| 199 | D | 91.8 | Very high | 91.6 | Very high | 157 Ų | 157 | 35.3 Ų | 35.3 | 84% | 0.84 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -83.6 | 91.3 | 173.9 | -175.3 | 25 | 0 | 0 | 0 | 110.1 | ||
| 200 | R | 94.7 | Very high | 91.3 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 14% | 0.143 | 21% | 0.206 | C | C | . | . | trans | -154 | 154.4 | 179.9 | 64.2 | 178.3 | -173.5 | -92 | -11.5 | 109.8 | P197 G198 T202 G220 | P197-R200 HydrophobicContact CG-CB 4.45Å; P197-R200 WeakPolarHBondContact O-CD 3.29Å; P197-R200 WeakPolarHBondContact O-CG 3.29Å; P197-R200 PolarHBondContact O-NH1 3.07Å; G198-R200 PolarHBondContact O-N 2.97Å; R200-T202 PolarHBondContact NE-OG1 2.96Å; R200-G220 PolarHBondContact NH2-O 2.93Å; R200-G220 VanDerWaalsContact NH2-O 3.12Å | ||
| 201 | Q | 97 | Very high | 91.2 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.1 | 167 | -172.2 | 176.6 | 31.7 | 0 | 0 | 110.1 | I58 G61 K62 D63 A170 Y171 V172 L203 | I58-Q201 PolarHBondContact O-NE2 3.02Å; G61-Q201 VanDerWaalsContact C-NE2 3.28Å; K62-Q201 PolarHBondContact O-NE2 2.95Å; D63-Q201 WeakPolarHBondContact OD1-CA 3.13Å; A170-Q201 PolarHBondContact O-N 3.14Å; Y171-Q201 HydrophobicContact CD2-CB 4.42Å; Y171-Q201 VanDerWaalsContact CD2-OE1 3.29Å; Y171-Q201 VanDerWaalsContact CE2-OE1 3.23Å; V172-Q201 PolarHBondContact N-O 3.22Å; Q201-L203 HydrophobicContact CG-CD2 4.05Å |
| 202 | T | 97.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.8 | -179.6 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | D63 V64 V172 F174 R200 L221 | D63-T202 WeakPolarHBondContact CA-O 3.37Å; D63-T202 WeakPolarHBondContact CB-O 3.49Å; D63-T202 PolarHBondContact OD1-N 3.24Å; V64-T202 PolarHBondContact N-O 3.3Å; V172-T202 HydrophobicContact CB-CG2 4.44Å; V172-T202 CarbonylContact O-C 3.5Å; V172-T202 WeakPolarHBondContact O-CA 3.41Å; F174-T202 HydrophobicContact CD2-CG2 4.09Å; F174-T202 HydrophobicContact CE2-CG2 3.77Å; R200-T202 PolarHBondContact NE-OG1 2.96Å; T202-L221 HydrophobicContact CG2-CD1 3.51Å; T202-L221 HydrophobicContact CG2-CG 3.82Å |
| 203 | L | 97.8 | Very high | 91 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.8 | -177.3 | -48 | -177.7 | 0 | 0 | 0 | 111.4 | I58 V64 F78 Y171 V172 V173 F174 Q201 F205 | I58-L203 HydrophobicContact CB-CD1 4.48Å; I58-L203 HydrophobicContact CD1-CD1 3.77Å; I58-L203 HydrophobicContact CG1-CD1 3.92Å; I58-L203 HydrophobicContact CG1-CD2 3.92Å; I58-L203 HydrophobicContact CG2-CD1 3.67Å; I58-L203 HydrophobicContact CG2-CD2 4.17Å; V64-L203 HydrophobicContact CB-CD2 3.95Å; V64-L203 HydrophobicContact CG2-CD2 4.26Å; V64-L203 CarbonylContact O-C 3.56Å; V64-L203 WeakPolarHBondContact O-CA 3.38Å; F78-L203 HydrophobicContact CB-CD1 4.1Å; Y171-L203 HydrophobicContact CE1-CD1 4.04Å; Y171-L203 HydrophobicContact CE2-CD1 3.99Å; Y171-L203 VanDerWaalsContact CZ-CD1 3.42Å; Y171-L203 WeakPolarHBondContact OH-CD1 3.44Å; V172-L203 PolarHBondContact O-N 2.83Å; V173-L203 CarbonylContact C-O 3.55Å; V173-L203 WeakPolarHBondContact CA-O 3.2Å; V173-L203 HydrophobicContact CG2-CB 4.34Å; V173-L203 HydrophobicContact CG2-CD1 4.16Å; F174-L203 PolarHBondContact N-O 2.94Å; Q201-L203 HydrophobicContact CG-CD2 4.05Å; L203-F205 HydrophobicContact CB-CD2 4.24Å; L203-F205 HydrophobicContact CB-CE2 3.93Å; L203-F205 HydrophobicContact CD1-CE2 4.2Å |
| 204 | L | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 116.2 | 173.4 | -61.1 | -178.4 | 0 | 0 | 0 | 110 | V64 V65 A66 F174 A177 L213 F216 A217 L221 | V64-L204 PolarHBondContact O-N 3.12Å; V65-L204 CarbonylContact C-O 3.52Å; V65-L204 WeakPolarHBondContact CA-O 3.37Å; V65-L204 HydrophobicContact CB-CB 4.5Å; V65-L204 HydrophobicContact CG1-CB 4.27Å; V65-L204 HydrophobicContact CG2-CB 4.17Å; V65-L204 HydrophobicContact CG2-CD1 4.05Å; V65-L204 HydrophobicContact CG2-CG 4.39Å; A66-L204 PolarHBondContact N-O 3.42Å; F174-L204 HydrophobicContact CB-CD2 3.54Å; F174-L204 HydrophobicContact CD2-CD2 3.37Å; F174-L204 HydrophobicContact CE2-CD2 4.32Å; F174-L204 HydrophobicContact CG-CD2 3.72Å; A177-L204 HydrophobicContact CB-CD2 4.43Å; L204-L213 HydrophobicContact CD1-CD1 4.16Å; L204-F216 HydrophobicContact CD1-CD1 4.32Å; L204-F216 HydrophobicContact CD2-CD1 4.46Å; L204-F216 HydrophobicContact CD2-CE1 4.06Å; L204-A217 HydrophobicContact CD1-CB 3.6Å; L204-L221 HydrophobicContact CD1-CD1 4.07Å; L204-L221 HydrophobicContact CD1-CD2 3.99Å; L204-L221 HydrophobicContact CG-CD1 4.21Å; L204-L221 HydrophobicContact CG-CD2 3.95Å |
| 205 | F | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.3 | 173.8 | -80.4 | -96.3 | 0 | 0 | 0 | 109.9 | A54 I58 A66 K74 A77 F78 V173 F174 E176 A177 L203 | A54-F205 HydrophobicContact CB-CZ 4.47Å; I58-F205 HydrophobicContact CD1-CE2 4.36Å; I58-F205 HydrophobicContact CD1-CZ 4Å; A66-F205 HydrophobicContact CB-CD1 3.57Å; A66-F205 HydrophobicContact CB-CE1 3.44Å; A66-F205 VanDerWaalsContact CB-CE1 3.44Å; A66-F205 HydrophobicContact CB-CE2 4.36Å; A66-F205 HydrophobicContact CB-CG 4.14Å; A66-F205 HydrophobicContact CB-CZ 3.88Å; A66-F205 WeakPolarHBondContact O-CA 3.19Å; K74-F205 HydrophobicContact CB-CD1 3.8Å; K74-F205 HydrophobicContact CB-CE1 4.36Å; K74-F205 HydrophobicContact CD-CB 4.31Å; K74-F205 HydrophobicContact CD-CD1 3.93Å; K74-F205 HydrophobicContact CG-CD1 3.86Å; K74-F205 HydrophobicContact CG-CE1 4.48Å; A77-F205 HydrophobicContact CB-CE1 3.98Å; A77-F205 HydrophobicContact CB-CZ 4.22Å; F78-F205 HydrophobicContact CB-CD2 4.16Å; F78-F205 HydrophobicContact CB-CE2 3.53Å; F78-F205 HydrophobicContact CB-CZ 3.86Å; F78-F205 HydrophobicContact CD1-CD1 4.24Å; F78-F205 AromaticContact CD1-CD2 3.67Å; F78-F205 HydrophobicContact CD1-CD2 3.67Å; F78-F205 HydrophobicContact CD1-CE1 4.34Å; F78-F205 AromaticContact CD1-CE2 3.82Å; F78-F205 HydrophobicContact CD1-CE2 3.82Å; F78-F205 AromaticContact CD1-CG 3.88Å; F78-F205 HydrophobicContact CD1-CG 3.88Å; F78-F205 HydrophobicContact CD1-CZ 4.13Å; F78-F205 HydrophobicContact CE1-CD2 4.49Å; F78-F205 HydrophobicContact CE1-CG 4.43Å; F78-F205 HydrophobicContact CG-CD2 4.32Å; F78-F205 HydrophobicContact CG-CE2 4.14Å; V173-F205 HydrophobicContact CG1-CD2 4.17Å; F174-F205 PolarHBondContact O-N 2.89Å; E176-F205 WeakPolarHBondContact CA-O 3.49Å; E176-F205 PolarHBondContact N-O 3.2Å; A177-F205 PolarHBondContact N-O 3.29Å; L203-F205 HydrophobicContact CB-CD2 4.24Å; L203-F205 HydrophobicContact CB-CE2 3.93Å; L203-F205 HydrophobicContact CD1-CE2 4.2Å |
| 206 | S | 90.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 162.6 | -178 | -169.4 | 0 | 0 | 0 | 0 | 112.9 | A66 M67 S68 K74 D178 T208 | A66-S206 PolarHBondContact O-N 2.98Å; M67-S206 WeakPolarHBondContact CA-O 3.22Å; S68-S206 PolarHBondContact N-O 3.46Å; K74-S206 PolarHBondContact NZ-O 3.04Å; D178-S206 WeakPolarHBondContact CB-OG 3.45Å; D178-S206 PolarHBondContact N-OG 3.25Å; D178-S206 PolarHBondContact OD1-OG 3.06Å; D178-S206 PolarHBondContact OD2-OG 3.22Å; S206-T208 WeakPolarHBondContact CB-O 3.32Å; S206-T208 PolarHBondContact OG-N 2.79Å; S206-T208 PolarHBondContact OG-O 3.28Å |
| 207 | A | 82.2 | Confident | 90.8 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 12% | 0.116 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -83.2 | -33.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S68 V231 | S68-A207 WeakPolarHBondContact O-CA 3.45Å; A207-V231 VanDerWaalsContact O-CG1 3.24Å; A207-V231 WeakPolarHBondContact O-CG1 3.49Å |
| 208 | T | 78.3 | Confident | 90.6 | Very high | 31 Ų | 31 | 47.1 Ų | 47.1 | 19% | 0.19 | 25% | 0.254 | C | S | . | . | trans | -138.5 | 163.8 | -177.2 | 61.3 | 0 | 0 | 0 | 0 | 111.7 | D178 S206 P210 K350 | D178-T208 PolarHBondContact OD2-N 3.12Å; D178-T208 PolarHBondContact OD2-OG1 3.19Å; S206-T208 WeakPolarHBondContact CB-O 3.32Å; S206-T208 PolarHBondContact OG-N 2.79Å; S206-T208 PolarHBondContact OG-O 3.28Å; T208-P210 WeakPolarHBondContact O-CD 3.48Å; T208-K350 HydrophobicContact CG2-CD 4.41Å; T208-K350 PolarHBondContact OG1-NZ 3.18Å | ||
| 209 | L | 85.7 | Confident | 90.6 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 30% | 0.304 | 26% | 0.258 | S | S | . | . | trans | -125.3 | 80.8 | -179.2 | -173.7 | 63.7 | 0 | 0 | 0 | 110 | V65 M67 L213 V214 L226 | V65-L209 HydrophobicContact CG1-CD1 4.27Å; M67-L209 HydrophobicContact CE-CD2 4.37Å; M67-L209 HydrophobicContact CG-CB 4.45Å; M67-L209 HydrophobicContact SD-CB 3.34Å; M67-L209 WeakPolarHBondContact SD-CB 3.37Å; M67-L209 HydrophobicContact SD-CD2 4.05Å; M67-L209 HydrophobicContact SD-CG 4.3Å; L209-L213 HydrophobicContact CD1-CB 4.14Å; L209-L213 HydrophobicContact CD1-CD2 3.78Å; L209-L213 HydrophobicContact CD1-CG 3.77Å; L209-V214 HydrophobicContact CD1-CG2 3.96Å; L209-V214 HydrophobicContact CD2-CG2 4Å; L209-V214 HydrophobicContact CG-CG2 3.57Å; L209-L226 HydrophobicContact CD2-CD1 4.13Å | ||
| 210 | P | 85.9 | Confident | 90.4 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 31% | 0.305 | 22% | 0.224 | S | C | . | . | trans | -68.2 | 160 | 173 | 30.3 | -35 | 0 | 0 | 0 | 111.2 | D178 T208 S212 L213 V214 | D178-P210 HydrophobicContact CB-CG 4.45Å; T208-P210 WeakPolarHBondContact O-CD 3.48Å; P210-S212 VanDerWaalsContact C-N 3.33Å; P210-S212 PolarHBondContact O-N 3.37Å; P210-L213 HydrophobicContact CG-CB 3.88Å; P210-L213 WeakPolarHBondContact O-CB 3.5Å; P210-L213 PolarHBondContact O-N 2.76Å; P210-V214 PolarHBondContact O-N 3.19Å; P210-V214 VanDerWaalsContact O-N 3.09Å | ||
| 211 | R | 89.2 | Confident | 90.2 | Very high | 219 Ų | 219 | 40.4 Ų | 40.4 | 83% | 0.826 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -52.8 | -45.6 | -178.7 | -68.9 | -175.1 | -178.4 | -178.9 | -0.5 | 113.1 | L213 V214 D215 | R211-L213 PolarHBondContact O-N 2.93Å; R211-V214 WeakPolarHBondContact O-CA 3.23Å; R211-V214 VanDerWaalsContact O-CB 3.3Å; R211-V214 WeakPolarHBondContact O-CB 3.21Å; R211-V214 PolarHBondContact O-N 2.96Å; R211-D215 PolarHBondContact O-N 3.2Å |
| 212 | S | 89.5 | Confident | 90 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.8 | -33.7 | 177.1 | 54.2 | 0 | 0 | 0 | 0 | 114.1 | P210 F216 | P210-S212 VanDerWaalsContact C-N 3.33Å; P210-S212 PolarHBondContact O-N 3.37Å; S212-F216 WeakPolarHBondContact O-CB 3.36Å; S212-F216 PolarHBondContact O-N 3Å; S212-F216 VanDerWaalsContact O-N 3.1Å |
| 213 | L | 90.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -77.5 | -30.9 | 175.2 | -176.3 | 63 | 0 | 0 | 0 | 111.8 | A177 F181 L204 L209 P210 R211 F216 A217 | A177-L213 HydrophobicContact CB-CD1 3.73Å; A177-L213 HydrophobicContact CB-CD2 3.89Å; F181-L213 HydrophobicContact CD2-CD1 3.93Å; F181-L213 HydrophobicContact CE2-CD1 3.54Å; F181-L213 HydrophobicContact CZ-CD1 4.31Å; L204-L213 HydrophobicContact CD1-CD1 4.16Å; L209-L213 HydrophobicContact CD1-CB 4.14Å; L209-L213 HydrophobicContact CD1-CD2 3.78Å; L209-L213 HydrophobicContact CD1-CG 3.77Å; P210-L213 HydrophobicContact CG-CB 3.88Å; P210-L213 WeakPolarHBondContact O-CB 3.5Å; P210-L213 PolarHBondContact O-N 2.76Å; R211-L213 PolarHBondContact O-N 2.93Å; L213-F216 HydrophobicContact CD1-CD1 4.23Å; L213-A217 VanDerWaalsContact O-CB 3.28Å; L213-A217 WeakPolarHBondContact O-CB 3.47Å; L213-A217 PolarHBondContact O-N 2.75Å |
| 214 | V | 91.3 | Very high | 89.5 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 171.3 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | L209 P210 R211 F216 A217 Q218 | L209-V214 HydrophobicContact CD1-CG2 3.96Å; L209-V214 HydrophobicContact CD2-CG2 4Å; L209-V214 HydrophobicContact CG-CG2 3.57Å; P210-V214 PolarHBondContact O-N 3.19Å; P210-V214 VanDerWaalsContact O-N 3.09Å; R211-V214 WeakPolarHBondContact O-CA 3.23Å; R211-V214 VanDerWaalsContact O-CB 3.3Å; R211-V214 WeakPolarHBondContact O-CB 3.21Å; R211-V214 PolarHBondContact O-N 2.96Å; V214-F216 VanDerWaalsContact C-N 3.29Å; V214-F216 PolarHBondContact O-N 2.88Å; V214-A217 WeakPolarHBondContact O-CB 3.43Å; V214-A217 PolarHBondContact O-N 3.14Å; V214-Q218 HydrophobicContact CG1-CG 4.38Å; V214-Q218 WeakPolarHBondContact O-CG 3.24Å; V214-Q218 PolarHBondContact O-N 3.37Å |
| 215 | D | 90.8 | Very high | 89.4 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 180 | -55.6 | -25.7 | 0 | 0 | 0 | 110.5 | R211 Q218 A219 | R211-D215 PolarHBondContact O-N 3.2Å; D215-Q218 PolarHBondContact O-N 2.81Å; D215-A219 WeakPolarHBondContact O-CB 3.45Å; D215-A219 PolarHBondContact O-N 3.26Å |
| 216 | F | 91.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 4% | 0.044 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.9 | -42 | 173.1 | 179.5 | -99.3 | 0 | 0 | 0 | 113 | F174 F181 L189 L193 L204 S212 L213 V214 A219 G220 | F174-F216 HydrophobicContact CD2-CE1 4.36Å; F174-F216 HydrophobicContact CE1-CZ 4.18Å; F174-F216 HydrophobicContact CE2-CE1 4.21Å; F174-F216 HydrophobicContact CE2-CZ 4.23Å; F174-F216 HydrophobicContact CZ-CE1 4.36Å; F174-F216 AromaticContact CZ-CZ 3.95Å; F174-F216 HydrophobicContact CZ-CZ 3.95Å; F181-F216 HydrophobicContact CE1-CB 4.01Å; F181-F216 HydrophobicContact CE1-CD2 4.42Å; F181-F216 HydrophobicContact CE1-CG 4.33Å; F181-F216 HydrophobicContact CE2-CB 4.31Å; F181-F216 HydrophobicContact CE2-CD1 4.17Å; F181-F216 HydrophobicContact CE2-CG 4.11Å; F181-F216 HydrophobicContact CZ-CB 3.44Å; F181-F216 VanDerWaalsContact CZ-CB 3.44Å; F181-F216 AromaticContact CZ-CD1 3.91Å; F181-F216 HydrophobicContact CZ-CD1 3.91Å; F181-F216 AromaticContact CZ-CD2 3.61Å; F181-F216 HydrophobicContact CZ-CD2 3.61Å; F181-F216 HydrophobicContact CZ-CE2 4.24Å; F181-F216 AromaticContact CZ-CG 3.39Å; F181-F216 HydrophobicContact CZ-CG 3.39Å; L189-F216 HydrophobicContact CB-CE2 3.89Å; L189-F216 HydrophobicContact CB-CZ 4.12Å; L189-F216 HydrophobicContact CD1-CZ 4.44Å; L193-F216 HydrophobicContact CD1-CD2 4.14Å; L193-F216 HydrophobicContact CD1-CE1 4.35Å; L193-F216 HydrophobicContact CD1-CE2 3.29Å; L193-F216 HydrophobicContact CD1-CZ 3.43Å; L193-F216 VanDerWaalsContact CD1-CZ 3.43Å; L193-F216 HydrophobicContact CG-CE2 4.2Å; L193-F216 HydrophobicContact CG-CZ 4.09Å; L204-F216 HydrophobicContact CD1-CD1 4.32Å; L204-F216 HydrophobicContact CD2-CD1 4.46Å; L204-F216 HydrophobicContact CD2-CE1 4.06Å; S212-F216 WeakPolarHBondContact O-CB 3.36Å; S212-F216 PolarHBondContact O-N 3Å; S212-F216 VanDerWaalsContact O-N 3.1Å; L213-F216 HydrophobicContact CD1-CD1 4.23Å; V214-F216 VanDerWaalsContact C-N 3.29Å; V214-F216 PolarHBondContact O-N 2.88Å; F216-A219 PolarHBondContact O-N 3.41Å; F216-G220 PolarHBondContact O-N 3.09Å |
| 217 | A | 91.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V65 L204 L213 V214 A219 G220 L221 | V65-A217 HydrophobicContact CG2-CB 4.34Å; L204-A217 HydrophobicContact CD1-CB 3.6Å; L213-A217 VanDerWaalsContact O-CB 3.28Å; L213-A217 WeakPolarHBondContact O-CB 3.47Å; L213-A217 PolarHBondContact O-N 2.75Å; V214-A217 WeakPolarHBondContact O-CB 3.43Å; V214-A217 PolarHBondContact O-N 3.14Å; A217-A219 VanDerWaalsContact C-N 3.34Å; A217-A219 PolarHBondContact O-N 3.47Å; A217-G220 PolarHBondContact O-N 2.97Å; A217-L221 WeakPolarHBondContact O-CB 3.47Å; A217-L221 PolarHBondContact O-N 3.37Å |
| 218 | Q | 89 | Confident | 89.5 | Confident | 144 Ų | 144 | 69.2 Ų | 69.2 | 67% | 0.673 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.7 | -35.3 | 178.2 | -72.4 | 177.9 | -19.2 | 0 | 0 | 112.7 | V214 D215 | V214-Q218 HydrophobicContact CG1-CG 4.38Å; V214-Q218 WeakPolarHBondContact O-CG 3.24Å; V214-Q218 PolarHBondContact O-N 3.37Å; D215-Q218 PolarHBondContact O-N 2.81Å |
| 219 | A | 87.7 | Confident | 89.5 | Confident | 92 Ų | 92 | 69 Ų | 69 | 76% | 0.76 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -81.7 | -26.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | D215 F216 A217 | D215-A219 WeakPolarHBondContact O-CB 3.45Å; D215-A219 PolarHBondContact O-N 3.26Å; F216-A219 PolarHBondContact O-N 3.41Å; A217-A219 VanDerWaalsContact C-N 3.34Å; A217-A219 PolarHBondContact O-N 3.47Å |
| 220 | G | 86.4 | Confident | 88.3 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 13% | 0.134 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -110.7 | -15.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | R200 F216 A217 | R200-G220 PolarHBondContact NH2-O 2.93Å; R200-G220 VanDerWaalsContact NH2-O 3.12Å; F216-G220 PolarHBondContact O-N 3.09Å; A217-G220 PolarHBondContact O-N 2.97Å |
| 221 | L | 91.6 | Very high | 86.8 | Confident | 14 Ų | 14 | 72.6 Ų | 72.6 | 7% | 0.073 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -116.8 | 152 | -176.7 | -76 | 60.1 | 0 | 0 | 0 | 111.1 | D63 V65 T202 L204 A217 P224 | D63-L221 HydrophobicContact CB-CB 4.15Å; D63-L221 HydrophobicContact CB-CD2 4.22Å; D63-L221 HydrophobicContact CB-CG 4.25Å; D63-L221 VanDerWaalsContact OD2-CA 3.24Å; D63-L221 WeakPolarHBondContact OD2-CA 3Å; D63-L221 VanDerWaalsContact OD2-CB 3.28Å; D63-L221 WeakPolarHBondContact OD2-CB 3.28Å; V65-L221 HydrophobicContact CG2-CD2 3.81Å; T202-L221 HydrophobicContact CG2-CD1 3.51Å; T202-L221 HydrophobicContact CG2-CG 3.82Å; L204-L221 HydrophobicContact CD1-CD1 4.07Å; L204-L221 HydrophobicContact CD1-CD2 3.99Å; L204-L221 HydrophobicContact CG-CD1 4.21Å; L204-L221 HydrophobicContact CG-CD2 3.95Å; A217-L221 WeakPolarHBondContact O-CB 3.47Å; A217-L221 PolarHBondContact O-N 3.37Å; L221-P224 HydrophobicContact CB-CB 4.06Å; L221-P224 HydrophobicContact CB-CG 4.08Å; L221-P224 HydrophobicContact CD2-CB 3.77Å; L221-P224 HydrophobicContact CD2-CG 4.37Å |
| 222 | S | 92.3 | Very high | 84.8 | Confident | 85 Ų | 85 | 65.5 Ų | 65.5 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -101.2 | 111.5 | 178.1 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | D63 | D63-S222 PolarHBondContact OD2-N 2.98Š|
| 223 | E | 91.4 | Very high | 83 | Confident | 186 Ų | 186 | 65 Ų | 65 | 87% | 0.869 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 42.9 | 58.5 | 179.7 | -62.8 | -172.6 | 169.2 | 0 | 0 | 114.8 | T225 | E223-T225 PolarHBondContact O-N 3.24Š|
| 224 | P | 93.7 | Very high | 81.6 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 34% | 0.338 | 38% | 0.383 | S | S | . | . | trans | -70.2 | 134.9 | -170.3 | 28.2 | -35.5 | 0 | 0 | 0 | 113.2 | D63 V65 L221 | D63-P224 HydrophobicContact CB-CB 4.11Å; D63-P224 WeakPolarHBondContact O-CA 3.39Å; V65-P224 HydrophobicContact CG2-CB 4.04Å; L221-P224 HydrophobicContact CB-CB 4.06Å; L221-P224 HydrophobicContact CB-CG 4.08Å; L221-P224 HydrophobicContact CD2-CB 3.77Å; L221-P224 HydrophobicContact CD2-CG 4.37Å | ||
| 225 | T | 94.2 | Very high | 80.7 | Confident | 41 Ų | 41 | 69.1 Ų | 69.1 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 121.4 | 171.6 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | L57 D63 V64 V65 E223 V227 | L57-T225 HydrophobicContact CD1-CG2 3.92Å; L57-T225 HydrophobicContact CD2-CG2 4.42Å; D63-T225 PolarHBondContact O-N 3.08Å; V64-T225 WeakPolarHBondContact CA-O 3.46Å; V65-T225 PolarHBondContact N-O 2.55Å; E223-T225 PolarHBondContact O-N 3.24Å; T225-V227 PolarHBondContact O-N 2.87Å |
| 226 | L | 92.5 | Very high | 79.9 | Confident | 98 Ų | 98 | 66.7 Ų | 66.7 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 113 | 177.5 | -173.3 | 66.1 | 0 | 0 | 0 | 111.3 | V65 M67 L209 | V65-L226 HydrophobicContact CB-CD1 3.8Å; V65-L226 HydrophobicContact CG1-CD1 3.68Å; M67-L226 HydrophobicContact CE-CD1 3.93Å; M67-L226 HydrophobicContact CE-CD2 4.32Å; M67-L226 HydrophobicContact CE-CG 4.35Å; L209-L226 HydrophobicContact CD2-CD1 4.13Å |
| 227 | V | 91.6 | Very high | 79.1 | Confident | 9 Ų | 9 | 73.1 Ų | 73.1 | 6% | 0.055 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 99.5 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | I50 K53 L57 V64 V65 A66 M67 T225 | I50-V227 HydrophobicContact CD1-CG1 4Å; K53-V227 HydrophobicContact CB-CG1 3.87Å; K53-V227 HydrophobicContact CD-CG1 4.26Å; L57-V227 HydrophobicContact CD1-CG2 3.37Å; V64-V227 HydrophobicContact CG1-CB 4.46Å; V64-V227 HydrophobicContact CG1-CG2 3.88Å; V65-V227 PolarHBondContact O-N 3.16Å; A66-V227 WeakPolarHBondContact CA-O 3.42Å; M67-V227 PolarHBondContact N-O 3.29Å; T225-V227 PolarHBondContact O-N 2.87Å |
| 228 | R | 85.2 | Confident | 78.6 | Confident | 174 Ų | 174 | 77.9 Ų | 77.9 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 117.1 | 169.9 | -173 | 169.1 | -176.3 | 155.9 | -4.2 | 109.3 | M67 | M67-R228 HydrophobicContact CE-CB 3.79Å; M67-R228 HydrophobicContact CE-CG 3.69Å |
| 229 | L | 77.5 | Confident | 78.3 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | trans | -91.7 | 157.5 | 156.5 | -67.2 | -179.5 | 0 | 0 | 0 | 108.4 | P49 I50 K53 M67 V231 | P49-L229 HydrophobicContact CB-CD1 3.95Å; P49-L229 HydrophobicContact CB-CD2 4.36Å; I50-L229 HydrophobicContact CB-CD1 3.55Å; I50-L229 HydrophobicContact CD1-CD1 3.77Å; I50-L229 HydrophobicContact CD1-CG 4.11Å; I50-L229 HydrophobicContact CG1-CD1 4.23Å; K53-L229 HydrophobicContact CD-CD2 3.72Å; M67-L229 PolarHBondContact O-N 3.46Å; L229-V231 VanDerWaalsContact C-N 3.31Å; L229-V231 VanDerWaalsContact O-CG2 3.29Å; L229-V231 WeakPolarHBondContact O-CG2 3.47Å; L229-V231 PolarHBondContact O-N 3.13Å | ||
| 230 | D | 60.5 | Low | 78.2 | Confident | 136 Ų | 136 | 71.9 Ų | 71.9 | 73% | 0.727 | 38% | 0.378 | S | S | * | . | trans | -52.2 | 101 | 172.6 | -67 | -30.3 | 0 | 0 | 0 | 108.7 | D232 | D230-D232 HydrophobicContact CB-CB 4.31Å; D230-D232 PolarHBondContact O-N 3.1Å | ||
| 231 | V | 54.6 | Low | 78.2 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | trans | -81.4 | 23.7 | 165 | -160 | 0 | 0 | 0 | 0 | 108.2 | M67 A207 L229 S233 | M67-V231 HydrophobicContact CB-CG2 4.2Å; A207-V231 VanDerWaalsContact O-CG1 3.24Å; A207-V231 WeakPolarHBondContact O-CG1 3.49Å; L229-V231 VanDerWaalsContact C-N 3.31Å; L229-V231 VanDerWaalsContact O-CG2 3.29Å; L229-V231 WeakPolarHBondContact O-CG2 3.47Å; L229-V231 PolarHBondContact O-N 3.13Å; V231-S233 PolarHBondContact O-N 3.1Å | ||
| 232 | D | 48.7 | Very low | 78.1 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | trans | -42 | 123.3 | 171.1 | -80.1 | 1.5 | 0 | 0 | 0 | 106.1 | D230 K234 | D230-D232 HydrophobicContact CB-CB 4.31Å; D230-D232 PolarHBondContact O-N 3.1Å; D232-K234 HydrophobicContact CB-CB 4.16Å; D232-K234 HydrophobicContact CB-CD 3.75Å; D232-K234 HydrophobicContact CB-CG 3.87Å; D232-K234 PolarHBondContact O-N 2.95Å; D232-K234 VanDerWaalsContact OD2-CE 3.31Å; D232-K234 WeakPolarHBondContact OD2-CE 3.39Å; D232-K234 IonicContact OD2-NZ 2.83Å; D232-K234 PolarHBondContact OD2-NZ 3.39Å | ||
| 233 | S | 51.2 | Low | 77.9 | Confident | 32 Ų | 32 | 72 Ų | 72 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | trans | -58.1 | 10.7 | 176.9 | 47 | 0 | 0 | 0 | 0 | 112.6 | V231 L235 F386 L387 | V231-S233 PolarHBondContact O-N 3.1Å; S233-L235 PolarHBondContact O-N 2.87Å; S233-F386 VanDerWaalsContact CB-CE1 3.47Å; S233-F386 WeakPolarHBondContact CB-O 3.33Å; S233-F386 PolarHBondContact OG-O 3.02Å; S233-L387 WeakPolarHBondContact O-CD2 3.35Å | ||
| 234 | K | 60.4 | Low | 77.7 | Confident | 127 Ų | 127 | 65.5 Ų | 65.5 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | trans | -54.7 | 101.9 | 171.5 | -72.4 | 172 | -176.5 | 159.1 | 0 | 110 | R69 D232 | R69-K234 PolarHBondContact NH1-O 3.45Å; D232-K234 HydrophobicContact CB-CB 4.16Å; D232-K234 HydrophobicContact CB-CD 3.75Å; D232-K234 HydrophobicContact CB-CG 3.87Å; D232-K234 PolarHBondContact O-N 2.95Å; D232-K234 VanDerWaalsContact OD2-CE 3.31Å; D232-K234 WeakPolarHBondContact OD2-CE 3.39Å; D232-K234 IonicContact OD2-NZ 2.83Å; D232-K234 PolarHBondContact OD2-NZ 3.39Å | ||
| 235 | L | 72.6 | Confident | 77.2 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | trans | -52.1 | 152.7 | 153.8 | -65.6 | 171.8 | 0 | 0 | 0 | 109 | S233 D237 L239 L241 F352 V353 V356 L387 | S233-L235 PolarHBondContact O-N 2.87Å; L235-D237 PolarHBondContact O-N 2.89Å; L235-L239 HydrophobicContact CB-CD2 4.22Å; L235-L239 HydrophobicContact CD2-CD2 4.06Å; L235-L241 HydrophobicContact CD1-CD1 3.4Å; L235-L241 HydrophobicContact CD1-CD2 4.16Å; L235-L241 HydrophobicContact CD1-CG 4.29Å; L235-F352 HydrophobicContact CD1-CE1 4.03Å; L235-V353 HydrophobicContact CD2-CG1 4.4Å; L235-V353 HydrophobicContact CD2-CG2 4.17Å; L235-V356 HydrophobicContact CD2-CG2 3.43Å; L235-V356 VanDerWaalsContact CD2-CG2 3.43Å; L235-L387 HydrophobicContact CD1-CD1 3.81Å; L235-L387 HydrophobicContact CD1-CD2 3.99Å; L235-L387 HydrophobicContact CG-CD2 4.02Å | ||
| 236 | S | 73.7 | Confident | 76.6 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 26% | 0.259 | 33% | 0.327 | S | S | . | . | trans | -56.8 | 136 | 176 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | K238 L239 A360 | S236-K238 PolarHBondContact O-N 3.26Å; S236-K238 PolarHBondContact OG-N 3.05Å; S236-L239 WeakPolarHBondContact O-CB 3.35Å; S236-L239 PolarHBondContact O-N 2.94Å; S236-A360 PolarHBondContact OG-O 3.07Å | ||
| 237 | D | 75.1 | Confident | 75.9 | Confident | 146 Ų | 146 | 64.7 Ų | 64.7 | 78% | 0.781 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.8 | 176.9 | -58.7 | -41.9 | 0 | 0 | 0 | 111.9 | L235 L239 | L235-D237 PolarHBondContact O-N 2.89Å; D237-L239 VanDerWaalsContact C-N 3.26Å; D237-L239 PolarHBondContact O-N 3.46Å |
| 238 | K | 79.7 | Confident | 75.5 | Confident | 107 Ų | 107 | 66 Ų | 66 | 47% | 0.465 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 2.1 | 172.4 | -62.1 | -173.7 | 170.7 | -175.6 | 0 | 113.9 | S236 A360 G363 T365 G366 | S236-K238 PolarHBondContact O-N 3.26Å; S236-K238 PolarHBondContact OG-N 3.05Å; K238-A360 HydrophobicContact CB-CB 4.36Å; K238-G363 WeakPolarHBondContact CD-O 3.19Å; K238-G363 WeakPolarHBondContact CE-O 3.46Å; K238-G363 PolarHBondContact NZ-O 3.44Å; K238-T365 HydrophobicContact CB-CG2 4.35Å; K238-G366 PolarHBondContact O-N 3.39Å |
| 239 | L | 84 | Confident | 75.2 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 111.9 | 177.2 | 176.8 | 57.9 | 0 | 0 | 0 | 110.3 | L235 S236 D237 L241 V356 V359 A360 G366 A368 | L235-L239 HydrophobicContact CB-CD2 4.22Å; L235-L239 HydrophobicContact CD2-CD2 4.06Å; S236-L239 WeakPolarHBondContact O-CB 3.35Å; S236-L239 PolarHBondContact O-N 2.94Å; D237-L239 VanDerWaalsContact C-N 3.26Å; D237-L239 PolarHBondContact O-N 3.46Å; L239-L241 HydrophobicContact CD1-CD2 4.42Å; L239-L241 HydrophobicContact CD2-CD2 3.74Å; L239-L241 HydrophobicContact CG-CD2 3.75Å; L239-L241 HydrophobicContact CG-CG 4.47Å; L239-V356 HydrophobicContact CD2-CB 3.93Å; L239-V356 HydrophobicContact CD2-CG2 3.7Å; L239-V359 HydrophobicContact CD1-CB 4.41Å; L239-V359 HydrophobicContact CD1-CG2 3.34Å; L239-V359 HydrophobicContact CD2-CG2 4.44Å; L239-V359 HydrophobicContact CG-CG2 4.49Å; L239-A360 HydrophobicContact CB-CB 4.08Å; L239-G366 WeakPolarHBondContact CA-O 3.28Å; L239-G366 WeakPolarHBondContact CD1-O 3.35Å; L239-A368 HydrophobicContact CD1-CB 3.96Å |
| 240 | T | 85.8 | Confident | 75.5 | Confident | 95 Ų | 95 | 61 Ų | 61 | 58% | 0.583 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 127.3 | 170.5 | -53.6 | 0 | 0 | 0 | 0 | 109.7 | G366 Q367 A368 | T240-G366 PolarHBondContact N-O 2.74Å; T240-Q367 CarbonylContact O-C 3.51Å; T240-Q367 WeakPolarHBondContact O-CA 3.33Å; T240-A368 PolarHBondContact O-N 2.99Å |
| 241 | L | 86.6 | Confident | 76.8 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.9 | 176.5 | -58.3 | 177.8 | 0 | 0 | 0 | 110 | L235 L239 F352 A368 | L235-L241 HydrophobicContact CD1-CD1 3.4Å; L235-L241 HydrophobicContact CD1-CD2 4.16Å; L235-L241 HydrophobicContact CD1-CG 4.29Å; L239-L241 HydrophobicContact CD1-CD2 4.42Å; L239-L241 HydrophobicContact CD2-CD2 3.74Å; L239-L241 HydrophobicContact CG-CD2 3.75Å; L239-L241 HydrophobicContact CG-CG 4.47Å; L241-F352 HydrophobicContact CD2-CE1 4.26Å; L241-F352 HydrophobicContact CD2-CZ 4.11Å; L241-A368 WeakPolarHBondContact CA-O 3.39Å; L241-A368 HydrophobicContact CD2-CB 3.89Å |
| 242 | A | 88 | Confident | 78.5 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 136.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A368 I369 S370 | A242-A368 PolarHBondContact N-O 2.67Å; A242-I369 HydrophobicContact CB-CG1 4.33Å; A242-I369 CarbonylContact O-C 3.59Å; A242-I369 WeakPolarHBondContact O-CA 3.42Å; A242-S370 PolarHBondContact O-N 3.21Å |
| 243 | H | 88.8 | Confident | 80.3 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 17% | 0.167 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 117 | 177.3 | -58.9 | -67 | 0 | 0 | 0 | 108.6 | S370 I372 Y384 | H243-S370 WeakPolarHBondContact CA-O 3.4Å; H243-I372 HydrophobicContact CB-CD1 3.85Å; H243-Y384 AromaticContact CD2-CE2 3.95Å; H243-Y384 AromaticContact CD2-CZ 3.98Å; H243-Y384 PolarHBondContact CD2-OH 3.19Å; H243-Y384 AromaticContact NE2-CE2 3.44Å; H243-Y384 WeakPolarHBondContact NE2-CE2 3.47Å; H243-Y384 AromaticContact NE2-CZ 3.61Å; H243-Y384 PolarHBondContact NE2-OH 2.97Å |
| 244 | I | 86.8 | Confident | 81.9 | Confident | 49 Ų | 49 | 50 Ų | 50 | 25% | 0.251 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 118.8 | -178.9 | -61 | 164.3 | 0 | 0 | 0 | 108 | V254 L258 I369 S370 I372 | I244-V254 HydrophobicContact CB-CG1 4.4Å; I244-V254 HydrophobicContact CD1-CG1 4.24Å; I244-V254 HydrophobicContact CG2-CG1 3.79Å; I244-L258 HydrophobicContact CD1-CD1 3.81Å; I244-L258 HydrophobicContact CD1-CD2 3.71Å; I244-L258 HydrophobicContact CD1-CG 4.17Å; I244-I369 HydrophobicContact CD1-CG2 3.76Å; I244-I369 HydrophobicContact CG1-CG2 4.48Å; I244-S370 PolarHBondContact N-O 3.38Å; I244-I372 PolarHBondContact O-N 3.41Å |
| 245 | F | 83 | Confident | 83.4 | Confident | 34 Ų | 34 | 44 Ų | 44 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.4 | 176.3 | -75 | -77.3 | 0 | 0 | 0 | 110.8 | I372 Y377 L380 F393 L444 | F245-I372 WeakPolarHBondContact CA-O 3.27Å; F245-I372 HydrophobicContact CD1-CB 4.09Å; F245-I372 HydrophobicContact CD1-CG2 4.05Å; F245-I372 HydrophobicContact CE1-CB 3.96Å; F245-I372 HydrophobicContact CE1-CG2 3.59Å; F245-I372 HydrophobicContact CZ-CD1 4.43Å; F245-I372 HydrophobicContact CZ-CG2 4.41Å; F245-Y377 AromaticContact CE1-CD2 3.28Å; F245-Y377 HydrophobicContact CE1-CD2 3.28Å; F245-Y377 AromaticContact CE1-CE2 3.8Å; F245-Y377 HydrophobicContact CE1-CE2 3.8Å; F245-Y377 HydrophobicContact CE1-CG 4.17Å; F245-Y377 AromaticContact CZ-CD2 3.4Å; F245-Y377 HydrophobicContact CZ-CD2 3.4Å; F245-Y377 VanDerWaalsContact CZ-CD2 3.4Å; F245-Y377 AromaticContact CZ-CE2 3.45Å; F245-Y377 HydrophobicContact CZ-CE2 3.45Å; F245-Y377 VanDerWaalsContact CZ-CE2 3.45Å; F245-L380 HydrophobicContact CE1-CD2 4.37Å; F245-L380 HydrophobicContact CE2-CD2 4.22Å; F245-L380 HydrophobicContact CZ-CD2 3.49Å; F245-L380 VanDerWaalsContact CZ-CD2 3.49Å; F245-F393 HydrophobicContact CE2-CE1 4.41Å; F245-L444 HydrophobicContact CD1-CD2 3.57Å; F245-L444 HydrophobicContact CE1-CD2 3.75Å; F245-L444 HydrophobicContact CG-CD2 4.08Å; F245-L444 HydrophobicContact CZ-CD2 4.39Å |
| 246 | C | 81.2 | Confident | 84.1 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 8% | 0.081 | 23% | 0.232 | C | C | . | . | trans | -152.7 | 172.5 | 174.6 | 66.8 | 0 | 0 | 0 | 0 | 111.4 | Q250 V254 I371 I372 S373 L449 | C246-Q250 HydrophobicContact CB-CB 4.13Å; C246-V254 HydrophobicContact CB-CG2 3.9Å; C246-I371 WeakPolarHBondContact SG-CG2 3.44Å; C246-I372 PolarHBondContact N-O 2.69Å; C246-S373 VanDerWaalsContact O-CA 3.3Å; C246-S373 WeakPolarHBondContact O-CA 3.34Å; C246-L449 HydrophobicContact CB-CD1 4.08Å | ||
| 247 | R | 79.5 | Confident | 84.6 | Confident | 127 Ų | 127 | 42.3 Ų | 42.3 | 48% | 0.479 | 22% | 0.22 | S | C | . | . | trans | -74.3 | 158.7 | 170.4 | -63.7 | 170.8 | 42.1 | 153.9 | -4.7 | 111.3 | D249 Q250 K251 | R247-D249 VanDerWaalsContact C-N 3.27Å; R247-D249 WeakPolarHBondContact CB-OD1 3.29Å; R247-D249 IonicContact CZ-OD1 3.61Å; R247-D249 IonicContact CZ-OD2 3.46Å; R247-D249 IonicContact NE-OD1 3.36Å; R247-D249 PolarHBondContact NE-OD1 3.06Å; R247-D249 IonicContact NE-OD2 2.94Å; R247-D249 IonicContact NH2-OD1 3.38Å; R247-D249 PolarHBondContact NH2-OD1 3.08Å; R247-D249 IonicContact NH2-OD2 3.41Å; R247-D249 PolarHBondContact NH2-OD2 2.83Å; R247-D249 PolarHBondContact O-N 3.35Å; R247-Q250 HydrophobicContact CB-CB 4.41Å; R247-Q250 HydrophobicContact CB-CG 4.12Å; R247-Q250 VanDerWaalsContact N-OE1 3.1Å; R247-Q250 PolarHBondContact O-N 3.32Å; R247-K251 PolarHBondContact O-N 3.38Å | ||
| 248 | Q | 82.1 | Confident | 85.1 | Confident | 37 Ų | 37 | 35.7 Ų | 35.7 | 17% | 0.173 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -59.2 | -38.2 | -178.8 | -170.5 | 66.5 | 11.9 | 0 | 0 | 112.8 | Q250 K251 S373 M420 | Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.38Å; Q248-K251 PolarHBondContact O-N 3.26Å; Q248-K251 VanDerWaalsContact OE1-CE 3.26Å; Q248-S373 PolarHBondContact OE1-OG 3.27Å; Q248-M420 HydrophobicContact CG-SD 4.31Å |
| 249 | D | 79.5 | Confident | 85.4 | Confident | 64 Ų | 64 | 30.9 Ų | 30.9 | 34% | 0.342 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -71.8 | -21.3 | 176.5 | 54.7 | -34.1 | 0 | 0 | 0 | 113.4 | R247 | R247-D249 VanDerWaalsContact C-N 3.27Å; R247-D249 WeakPolarHBondContact CB-OD1 3.29Å; R247-D249 IonicContact CZ-OD1 3.61Å; R247-D249 IonicContact CZ-OD2 3.46Å; R247-D249 IonicContact NE-OD1 3.36Å; R247-D249 PolarHBondContact NE-OD1 3.06Å; R247-D249 IonicContact NE-OD2 2.94Å; R247-D249 IonicContact NH2-OD1 3.38Å; R247-D249 PolarHBondContact NH2-OD1 3.08Å; R247-D249 IonicContact NH2-OD2 3.41Å; R247-D249 PolarHBondContact NH2-OD2 2.83Å; R247-D249 PolarHBondContact O-N 3.35Å |
| 250 | Q | 83.3 | Confident | 85.2 | Confident | 31 Ų | 31 | 35.4 Ų | 35.4 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -89.6 | -10.4 | 178.6 | -66.4 | 174 | -27.7 | 0 | 0 | 113.3 | C246 R247 Q248 L252 A253 V254 L449 | C246-Q250 HydrophobicContact CB-CB 4.13Å; R247-Q250 HydrophobicContact CB-CB 4.41Å; R247-Q250 HydrophobicContact CB-CG 4.12Å; R247-Q250 VanDerWaalsContact N-OE1 3.1Å; R247-Q250 PolarHBondContact O-N 3.32Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.38Å; Q250-L252 PolarHBondContact O-N 3.03Å; Q250-A253 WeakPolarHBondContact O-CB 3.45Å; Q250-A253 PolarHBondContact O-N 3.46Å; Q250-A253 VanDerWaalsContact O-N 3.07Å; Q250-V254 PolarHBondContact O-N 3.22Å; Q250-L449 PolarHBondContact NE2-O 3.22Å |
| 251 | K | 88.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55 | -39.9 | -176.4 | -74 | -166.1 | 162 | -151.3 | 0 | 113.5 | R247 Q248 V254 L255 Y343 I371 E376 | R247-K251 PolarHBondContact O-N 3.38Å; Q248-K251 PolarHBondContact O-N 3.26Å; Q248-K251 VanDerWaalsContact OE1-CE 3.26Å; K251-V254 PolarHBondContact O-N 3.32Å; K251-L255 PolarHBondContact O-N 3.46Å; K251-Y343 HydrophobicContact CB-CE2 3.75Å; K251-Y343 HydrophobicContact CD-CE1 4.5Å; K251-Y343 PolarHBondContact NZ-O 2.97Å; K251-I371 HydrophobicContact CB-CG2 4.21Å; K251-I371 HydrophobicContact CD-CG2 4.42Å; K251-I371 HydrophobicContact CG-CG2 3.86Å; K251-I371 PolarHBondContact NZ-O 3.16Å; K251-I371 VanDerWaalsContact NZ-O 3.16Å; K251-E376 IonicContact NZ-OE1 3.39Å; K251-E376 PolarHBondContact NZ-OE1 3.04Å; K251-E376 IonicContact NZ-OE2 3.28Å; K251-E376 PolarHBondContact NZ-OE2 3.09Å |
| 252 | L | 90.1 | Very high | 82.8 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 12% | 0.115 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 178.8 | -145.1 | -17.7 | 0 | 0 | 0 | 110.8 | Q250 V254 L255 L256 Y283 L284 V287 | Q250-L252 PolarHBondContact O-N 3.03Å; L252-V254 PolarHBondContact O-N 3.33Å; L252-L255 PolarHBondContact O-N 3.33Å; L252-L256 HydrophobicContact CD1-CD1 3.96Å; L252-L256 HydrophobicContact CD1-CG 4.07Å; L252-L256 WeakPolarHBondContact O-CG 3.41Å; L252-L256 PolarHBondContact O-N 3.5Å; L252-Y283 HydrophobicContact CD2-CE1 4.47Å; L252-Y283 VanDerWaalsContact CD2-OH 3.27Å; L252-Y283 WeakPolarHBondContact CD2-OH 3.18Å; L252-Y283 HydrophobicContact CG-CE1 4.3Å; L252-L284 HydrophobicContact CD1-CD2 3.86Å; L252-L284 HydrophobicContact CG-CD2 4.47Å; L252-V287 HydrophobicContact CD1-CG1 4.07Å; L252-V287 HydrophobicContact CD2-CG1 4.3Å |
| 253 | A | 85.3 | Confident | 81.6 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q250 L256 G257 L408 | Q250-A253 WeakPolarHBondContact O-CB 3.45Å; Q250-A253 PolarHBondContact O-N 3.46Å; Q250-A253 VanDerWaalsContact O-N 3.07Å; A253-L256 PolarHBondContact O-N 2.97Å; A253-G257 PolarHBondContact O-N 3.05Å; A253-L408 HydrophobicContact CB-CD1 3.45Å; A253-L408 VanDerWaalsContact CB-CD1 3.45Å |
| 254 | V | 86.3 | Confident | 80.5 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 176.1 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | I244 C246 Q250 K251 L252 L256 G257 L258 I371 L404 | I244-V254 HydrophobicContact CB-CG1 4.4Å; I244-V254 HydrophobicContact CD1-CG1 4.24Å; I244-V254 HydrophobicContact CG2-CG1 3.79Å; C246-V254 HydrophobicContact CB-CG2 3.9Å; Q250-V254 PolarHBondContact O-N 3.22Å; K251-V254 PolarHBondContact O-N 3.32Å; L252-V254 PolarHBondContact O-N 3.33Å; V254-L256 VanDerWaalsContact C-N 3.34Å; V254-L256 PolarHBondContact O-N 2.71Å; V254-G257 PolarHBondContact O-N 3.06Å; V254-L258 HydrophobicContact CG1-CD1 4Å; V254-L258 HydrophobicContact CG1-CG 4.38Å; V254-L258 WeakPolarHBondContact O-CB 3.39Å; V254-L258 WeakPolarHBondContact O-CG 3.47Å; V254-L258 PolarHBondContact O-N 2.93Å; V254-I371 HydrophobicContact CB-CD1 4.34Å; V254-I371 HydrophobicContact CB-CG2 4.26Å; V254-I371 HydrophobicContact CG1-CD1 3.93Å; V254-I371 HydrophobicContact CG1-CG1 4Å; V254-I371 HydrophobicContact CG1-CG2 4.07Å; V254-L404 HydrophobicContact CG2-CD2 4.28Å |
| 255 | L | 90.7 | Very high | 79.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 177.9 | 177.2 | 64.5 | 0 | 0 | 0 | 111.6 | K251 L252 L258 L259 I273 L284 I341 Y343 I371 | K251-L255 PolarHBondContact O-N 3.46Å; L252-L255 PolarHBondContact O-N 3.33Å; L255-L258 WeakPolarHBondContact O-CB 2.99Å; L255-L258 PolarHBondContact O-N 2.93Å; L255-L259 HydrophobicContact CD1-CD1 4.17Å; L255-L259 HydrophobicContact CD1-CG 4.29Å; L255-L259 HydrophobicContact CG-CD1 4.09Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.12Å; L255-L259 PolarHBondContact O-N 2.72Å; L255-I273 HydrophobicContact CD1-CD1 4Å; L255-I273 HydrophobicContact CD2-CD1 4.37Å; L255-L284 HydrophobicContact CD2-CD1 4Å; L255-L284 HydrophobicContact CD2-CD2 4.08Å; L255-I341 HydrophobicContact CD1-CD1 4.03Å; L255-I341 HydrophobicContact CD1-CG2 3.97Å; L255-Y343 HydrophobicContact CB-CD2 4.11Å; L255-Y343 HydrophobicContact CB-CE2 4.25Å; L255-Y343 HydrophobicContact CD2-CD2 3.8Å; L255-Y343 HydrophobicContact CD2-CE2 4.16Å; L255-Y343 HydrophobicContact CG-CD2 4.41Å; L255-I371 HydrophobicContact CB-CD1 3.88Å; L255-I371 HydrophobicContact CD1-CD1 4.34Å |
| 256 | L | 88.7 | Confident | 78.5 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | -178.9 | -65.3 | 173.4 | 0 | 0 | 0 | 111.6 | L252 A253 V254 L258 L259 E260 V287 L288 L291 F293 L408 | L252-L256 HydrophobicContact CD1-CD1 3.96Å; L252-L256 HydrophobicContact CD1-CG 4.07Å; L252-L256 WeakPolarHBondContact O-CG 3.41Å; L252-L256 PolarHBondContact O-N 3.5Å; A253-L256 PolarHBondContact O-N 2.97Å; V254-L256 VanDerWaalsContact C-N 3.34Å; V254-L256 PolarHBondContact O-N 2.71Å; L256-L258 VanDerWaalsContact C-N 3.28Å; L256-L258 PolarHBondContact O-N 2.98Å; L256-L259 PolarHBondContact O-N 2.8Å; L256-L259 VanDerWaalsContact O-N 3.15Å; L256-E260 WeakPolarHBondContact O-CB 3.11Å; L256-E260 PolarHBondContact O-N 3.45Å; L256-V287 HydrophobicContact CD1-CG1 4.47Å; L256-L288 HydrophobicContact CD2-CD2 3.87Å; L256-L291 HydrophobicContact CD1-CD1 3.59Å; L256-L291 HydrophobicContact CD2-CD1 3.41Å; L256-L291 VanDerWaalsContact CD2-CD1 3.41Å; L256-L291 HydrophobicContact CG-CD1 4.11Å; L256-F293 HydrophobicContact CD2-CE2 4.13Å; L256-L408 HydrophobicContact CD1-CD2 3.58Å |
| 257 | G | 83.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | A253 V254 K261 | A253-G257 PolarHBondContact O-N 3.05Å; V254-G257 PolarHBondContact O-N 3.06Å; G257-K261 WeakPolarHBondContact O-CB 3.23Å; G257-K261 PolarHBondContact O-N 3.36Å |
| 258 | L | 85.4 | Confident | 77.5 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 173.6 | -73.3 | 171.2 | 0 | 0 | 0 | 112.4 | I244 V254 L255 L256 C262 I264 I369 I371 | I244-L258 HydrophobicContact CD1-CD1 3.81Å; I244-L258 HydrophobicContact CD1-CD2 3.71Å; I244-L258 HydrophobicContact CD1-CG 4.17Å; V254-L258 HydrophobicContact CG1-CD1 4Å; V254-L258 HydrophobicContact CG1-CG 4.38Å; V254-L258 WeakPolarHBondContact O-CB 3.39Å; V254-L258 WeakPolarHBondContact O-CG 3.47Å; V254-L258 PolarHBondContact O-N 2.93Å; L255-L258 WeakPolarHBondContact O-CB 2.99Å; L255-L258 PolarHBondContact O-N 2.93Å; L256-L258 VanDerWaalsContact C-N 3.28Å; L256-L258 PolarHBondContact O-N 2.98Å; L258-C262 WeakPolarHBondContact O-CB 3.47Å; L258-I264 HydrophobicContact CB-CD1 3.76Å; L258-I264 HydrophobicContact CD2-CD1 4.13Å; L258-I264 WeakPolarHBondContact O-CD1 3.21Å; L258-I264 WeakPolarHBondContact O-CG1 3.46Å; L258-I369 HydrophobicContact CD1-CG2 3.84Å; L258-I369 HydrophobicContact CD2-CD1 4.37Å; L258-I371 HydrophobicContact CD1-CD1 4.11Å; L258-I371 HydrophobicContact CD1-CG1 4.24Å |
| 259 | L | 86.8 | Confident | 77.6 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.9 | -32.2 | -177.3 | -68.3 | 175.1 | 0 | 0 | 0 | 112.9 | L255 L256 I265 T271 I273 L288 F293 I321 I341 | L255-L259 HydrophobicContact CD1-CD1 4.17Å; L255-L259 HydrophobicContact CD1-CG 4.29Å; L255-L259 HydrophobicContact CG-CD1 4.09Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.12Å; L255-L259 PolarHBondContact O-N 2.72Å; L256-L259 PolarHBondContact O-N 2.8Å; L256-L259 VanDerWaalsContact O-N 3.15Å; L259-I265 HydrophobicContact CB-CD1 4.06Å; L259-I265 HydrophobicContact CD2-CD1 3.99Å; L259-I265 HydrophobicContact CD2-CG1 4.15Å; L259-T271 HydrophobicContact CD2-CG2 4.38Å; L259-I273 HydrophobicContact CD1-CD1 4.32Å; L259-L288 HydrophobicContact CD1-CD2 3.57Å; L259-F293 HydrophobicContact CB-CE1 3.98Å; L259-F293 HydrophobicContact CB-CZ 4.04Å; L259-I321 HydrophobicContact CD1-CD1 3.91Å; L259-I321 HydrophobicContact CD2-CD1 4.06Å; L259-I341 HydrophobicContact CD2-CD1 4Å |
| 260 | E | 79.2 | Confident | 78.1 | Confident | 110 Ų | 110 | 47.3 Ų | 47.3 | 51% | 0.514 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -95.8 | -44.6 | -174.5 | -168.6 | 174.2 | 160.2 | 0 | 0 | 113.8 | L256 F293 F406 | L256-E260 WeakPolarHBondContact O-CB 3.11Å; L256-E260 PolarHBondContact O-N 3.45Å; E260-F293 HydrophobicContact CB-CZ 4.49Å; E260-F406 HydrophobicContact CB-CZ 4.02Å; E260-F406 VanDerWaalsContact CD-CE1 3.48Å; E260-F406 HydrophobicContact CG-CZ 4.06Å; E260-F406 WeakPolarHBondContact OE2-CE1 3.23Å; E260-F406 WeakPolarHBondContact OE2-CZ 3.33Å |
| 261 | K | 64.9 | Low | 78.6 | Confident | 81 Ų | 81 | 45.9 Ų | 45.9 | 35% | 0.352 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -95.8 | -24.5 | -170.4 | -70.9 | -176.6 | 173.3 | 167.9 | 0 | 115.4 | G257 D263 S402 R405 F406 | G257-K261 WeakPolarHBondContact O-CB 3.23Å; G257-K261 PolarHBondContact O-N 3.36Å; K261-D263 VanDerWaalsContact C-N 3.27Å; K261-D263 PolarHBondContact O-N 2.86Å; K261-S402 WeakPolarHBondContact CD-O 3.38Å; K261-S402 PolarHBondContact NZ-O 3.22Å; K261-R405 PolarHBondContact NZ-O 3.41Å; K261-F406 HydrophobicContact CD-CE2 3.8Å; K261-F406 HydrophobicContact CD-CZ 4.33Å; K261-F406 VanDerWaalsContact CE-CE2 3.48Å; K261-F406 HydrophobicContact CG-CE2 4.03Å; K261-F406 HydrophobicContact CG-CZ 4.18Å |
| 262 | C | 57.9 | Low | 78.8 | Confident | 57 Ų | 57 | 45.9 Ų | 45.9 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -90.9 | 12.4 | -175.5 | -66.6 | 0 | 0 | 0 | 0 | 112.8 | L258 I264 | L258-C262 WeakPolarHBondContact O-CB 3.47Å; C262-I264 HydrophobicContact CB-CD1 4Å; C262-I264 HydrophobicContact CB-CG1 3.7Å; C262-I264 PolarHBondContact O-N 2.7Å |
| 263 | D | 61.9 | Low | 79 | Confident | 118 Ų | 118 | 44.8 Ų | 44.8 | 63% | 0.631 | 23% | 0.23 | S | C | * | . | trans | 43.3 | 33.1 | -172.2 | -71.8 | -32.9 | 0 | 0 | 0 | 112.9 | K261 I265 Q266 | K261-D263 VanDerWaalsContact C-N 3.27Å; K261-D263 PolarHBondContact O-N 2.86Å; D263-I265 PolarHBondContact O-N 3.32Å; D263-Q266 VanDerWaalsContact O-CG 3.32Å; D263-Q266 WeakPolarHBondContact O-CG 3.4Å | ||
| 264 | I | 64.7 | Low | 79.5 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -62 | -30.8 | -178.9 | -71.1 | -179.9 | 0 | 0 | 0 | 110.1 | L258 C262 T269 T271 T339 I369 | L258-I264 HydrophobicContact CB-CD1 3.76Å; L258-I264 HydrophobicContact CD2-CD1 4.13Å; L258-I264 WeakPolarHBondContact O-CD1 3.21Å; L258-I264 WeakPolarHBondContact O-CG1 3.46Å; C262-I264 HydrophobicContact CB-CD1 4Å; C262-I264 HydrophobicContact CB-CG1 3.7Å; C262-I264 PolarHBondContact O-N 2.7Å; I264-T269 PolarHBondContact O-OG1 2.92Å; I264-T271 HydrophobicContact CG2-CG2 4.49Å; I264-T339 HydrophobicContact CG2-CG2 3.68Å; I264-I369 HydrophobicContact CD1-CD1 3.54Å | ||
| 265 | I | 62.1 | Low | 79.8 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -98.3 | 82 | 176.2 | -47.3 | 173 | 0 | 0 | 0 | 108.3 | L259 D263 F293 K320 I321 | L259-I265 HydrophobicContact CB-CD1 4.06Å; L259-I265 HydrophobicContact CD2-CD1 3.99Å; L259-I265 HydrophobicContact CD2-CG1 4.15Å; D263-I265 PolarHBondContact O-N 3.32Å; I265-F293 HydrophobicContact CD1-CD1 3.68Å; I265-F293 HydrophobicContact CD1-CE1 3.75Å; I265-K320 HydrophobicContact CG2-CB 4.04Å; I265-K320 HydrophobicContact CG2-CG 4.44Å; I265-I321 HydrophobicContact CD1-CD1 3.75Å; I265-I321 HydrophobicContact CD1-CG1 4.17Å |
| 266 | Q | 66.2 | Low | 79.7 | Confident | 112 Ų | 112 | 45.3 Ų | 45.3 | 52% | 0.523 | 24% | 0.235 | S | C | . | . | trans | -79.9 | 156.9 | 163.8 | -56.8 | 176.9 | -14.7 | 0 | 0 | 109.9 | D263 N268 T269 | D263-Q266 VanDerWaalsContact O-CG 3.32Å; D263-Q266 WeakPolarHBondContact O-CG 3.4Å; Q266-N268 PolarHBondContact O-N 2.97Å; Q266-T269 HydrophobicContact CB-CG2 3.86Å; Q266-T269 HydrophobicContact CG-CG2 4.41Å; Q266-T269 PolarHBondContact N-OG1 2.82Å; Q266-T269 PolarHBondContact O-N 3.14Å; Q266-T269 PolarHBondContact O-OG1 2.83Å | ||
| 267 | E | 66.7 | Low | 79.6 | Confident | 170 Ų | 170 | 45.8 Ų | 45.8 | 79% | 0.794 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | -32.8 | -175.8 | -69.4 | -172.4 | 161.1 | 0 | 0 | 113.9 | K320 | E267-K320 WeakPolarHBondContact O-CE 3.48Å; E267-K320 PolarHBondContact O-NZ 3.08Å |
| 268 | N | 72.7 | Confident | 79.8 | Confident | 157 Ų | 157 | 50.1 Ų | 50.1 | 84% | 0.84 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 17 | -178.2 | -76.1 | -16.6 | 0 | 0 | 0 | 115.1 | Q266 | Q266-N268 PolarHBondContact O-N 2.97Š|
| 269 | T | 85.3 | Confident | 79.8 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | trans | -109.4 | 147.7 | -179.8 | 62 | 0 | 0 | 0 | 0 | 112.4 | I264 Q266 H338 | I264-T269 PolarHBondContact O-OG1 2.92Å; Q266-T269 HydrophobicContact CB-CG2 3.86Å; Q266-T269 HydrophobicContact CG-CG2 4.41Å; Q266-T269 PolarHBondContact N-OG1 2.82Å; Q266-T269 PolarHBondContact O-N 3.14Å; Q266-T269 PolarHBondContact O-OG1 2.83Å; T269-H338 HydrophobicContact CG2-CB 3.94Å | ||
| 270 | L | 90.4 | Very high | 80 | Confident | 25 Ų | 25 | 52.4 Ų | 52.4 | 13% | 0.131 | 27% | 0.267 | C | S | . | . | trans | -115 | 133.1 | 176 | -64.9 | 179.6 | 0 | 0 | 0 | 109.6 | F314 K320 P335 L337 H338 T339 | L270-F314 HydrophobicContact CB-CE1 4.41Å; L270-F314 HydrophobicContact CB-CE2 4.12Å; L270-F314 HydrophobicContact CB-CZ 3.73Å; L270-F314 HydrophobicContact CD1-CE1 4.24Å; L270-F314 HydrophobicContact CD1-CZ 4.3Å; L270-F314 HydrophobicContact CD2-CD2 4.39Å; L270-F314 HydrophobicContact CD2-CE2 4.06Å; L270-F314 HydrophobicContact CD2-CZ 4.36Å; L270-F314 HydrophobicContact CG-CZ 4.35Å; L270-K320 HydrophobicContact CD2-CD 4.35Å; L270-P335 HydrophobicContact CD1-CB 4.25Å; L270-P335 HydrophobicContact CD1-CG 3.48Å; L270-P335 VanDerWaalsContact CD1-CG 3.48Å; L270-L337 HydrophobicContact CB-CD2 3.7Å; L270-H338 PolarHBondContact O-N 3.38Å; L270-T339 PolarHBondContact O-N 2.89Å | ||
| 271 | T | 92.2 | Very high | 80.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.7 | -179 | -65.3 | 0 | 0 | 0 | 0 | 111 | L259 I264 I273 K320 I321 L322 T339 I341 | L259-T271 HydrophobicContact CD2-CG2 4.38Å; I264-T271 HydrophobicContact CG2-CG2 4.49Å; T271-I273 HydrophobicContact CG2-CG1 4.24Å; T271-K320 PolarHBondContact N-O 2.93Å; T271-I321 WeakPolarHBondContact O-CA 3.21Å; T271-L322 PolarHBondContact O-N 3.47Å; T271-T339 WeakPolarHBondContact CA-O 3.4Å; T271-T339 HydrophobicContact CG2-CG2 4.3Å; T271-I341 HydrophobicContact CG2-CD1 3.88Å; T271-I341 HydrophobicContact CG2-CG1 4.1Å |
| 272 | L | 93.5 | Very high | 81.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.8 | 176.1 | -176 | 70.7 | 0 | 0 | 0 | 110.3 | F274 L322 V324 I334 L337 T339 V340 I341 | L272-F274 HydrophobicContact CD2-CD2 4.36Å; L272-F274 HydrophobicContact CD2-CE1 4.44Å; L272-F274 HydrophobicContact CD2-CE2 3.4Å; L272-F274 VanDerWaalsContact CD2-CE2 3.4Å; L272-F274 HydrophobicContact CD2-CZ 3.45Å; L272-F274 VanDerWaalsContact CD2-CZ 3.45Å; L272-F274 HydrophobicContact CG-CD2 4.37Å; L272-F274 HydrophobicContact CG-CE2 3.86Å; L272-F274 HydrophobicContact CG-CZ 4.18Å; L272-L322 WeakPolarHBondContact CA-O 3.39Å; L272-L322 HydrophobicContact CD1-CB 3.85Å; L272-L322 HydrophobicContact CD1-CD2 3.66Å; L272-L322 HydrophobicContact CD1-CG 3.76Å; L272-L322 WeakPolarHBondContact CD1-O 3.45Å; L272-V324 HydrophobicContact CD1-CB 4.43Å; L272-V324 HydrophobicContact CD1-CG1 3.66Å; L272-V324 HydrophobicContact CD1-CG2 3.8Å; L272-V324 HydrophobicContact CG-CG2 4.18Å; L272-I334 HydrophobicContact CD1-CD1 4.3Å; L272-I334 HydrophobicContact CD2-CD1 4.16Å; L272-L337 HydrophobicContact CB-CD1 3.35Å; L272-L337 HydrophobicContact CD2-CD1 3.62Å; L272-L337 HydrophobicContact CG-CD1 4.08Å; L272-T339 PolarHBondContact N-O 3.3Å; L272-T339 VanDerWaalsContact N-O 3.07Å; L272-V340 HydrophobicContact CB-CG2 4.25Å; L272-V340 CarbonylContact O-C 3.52Å; L272-V340 WeakPolarHBondContact O-CA 3.45Å; L272-I341 PolarHBondContact O-N 3.24Å |
| 273 | I | 95 | Very high | 83.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.6 | -179.7 | -55.6 | 175.1 | 0 | 0 | 0 | 109.1 | L255 L259 T271 L284 L288 I321 L322 V323 V324 I341 | L255-I273 HydrophobicContact CD1-CD1 4Å; L255-I273 HydrophobicContact CD2-CD1 4.37Å; L259-I273 HydrophobicContact CD1-CD1 4.32Å; T271-I273 HydrophobicContact CG2-CG1 4.24Å; I273-L284 HydrophobicContact CG2-CD1 4.42Å; I273-L288 HydrophobicContact CD1-CD1 4.26Å; I273-I321 HydrophobicContact CD1-CG2 3.43Å; I273-I321 VanDerWaalsContact CD1-CG2 3.43Å; I273-I321 HydrophobicContact CG1-CG2 3.98Å; I273-L322 PolarHBondContact N-O 3.5Å; I273-V323 HydrophobicContact CB-CG2 4.42Å; I273-V323 HydrophobicContact CD1-CG2 4.38Å; I273-V323 CarbonylContact O-C 3.58Å; I273-V323 WeakPolarHBondContact O-CA 3.23Å; I273-V324 PolarHBondContact O-N 2.85Å; I273-I341 CarbonylContact C-O 3.49Å; I273-I341 WeakPolarHBondContact CA-O 3.46Å; I273-I341 HydrophobicContact CG1-CB 4.24Å; I273-I341 HydrophobicContact CG1-CD1 4.45Å |
| 274 | F | 95.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.2 | 177.6 | -76.4 | -83.9 | 0 | 0 | 0 | 112.8 | L272 V324 S329 V340 I341 Y343 H344 R355 | L272-F274 HydrophobicContact CD2-CD2 4.36Å; L272-F274 HydrophobicContact CD2-CE1 4.44Å; L272-F274 HydrophobicContact CD2-CE2 3.4Å; L272-F274 VanDerWaalsContact CD2-CE2 3.4Å; L272-F274 HydrophobicContact CD2-CZ 3.45Å; L272-F274 VanDerWaalsContact CD2-CZ 3.45Å; L272-F274 HydrophobicContact CG-CD2 4.37Å; L272-F274 HydrophobicContact CG-CE2 3.86Å; L272-F274 HydrophobicContact CG-CZ 4.18Å; F274-V324 WeakPolarHBondContact CA-O 3.44Å; F274-V324 HydrophobicContact CD1-CG2 3.51Å; F274-V324 HydrophobicContact CE1-CG2 3.5Å; F274-V324 HydrophobicContact CG-CG2 4.14Å; F274-V324 HydrophobicContact CZ-CG2 4.14Å; F274-S329 WeakPolarHBondContact CE1-OG 3.41Å; F274-V340 HydrophobicContact CD2-CG1 3.81Å; F274-V340 HydrophobicContact CE2-CG1 3.76Å; F274-I341 PolarHBondContact N-O 3.47Å; F274-Y343 WeakPolarHBondContact O-CB 3.37Å; F274-Y343 PolarHBondContact O-N 3.45Å; F274-Y343 VanDerWaalsContact O-N 3.07Å; F274-H344 PolarHBondContact O-N 3.21Å; F274-R355 HydrophobicContact CD1-CG 3.81Å; F274-R355 HydrophobicContact CD2-CB 3.91Å; F274-R355 HydrophobicContact CD2-CG 3.9Å; F274-R355 HydrophobicContact CE1-CB 4.36Å; F274-R355 HydrophobicContact CE1-CG 3.71Å; F274-R355 HydrophobicContact CE2-CB 3.56Å; F274-R355 HydrophobicContact CE2-CG 3.79Å; F274-R355 HydrophobicContact CG-CB 4.43Å; F274-R355 HydrophobicContact CG-CG 3.91Å; F274-R355 HydrophobicContact CZ-CB 3.82Å; F274-R355 HydrophobicContact CZ-CG 3.69Å |
| 275 | C | 92.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 150.7 | 173.7 | -69.1 | 0 | 0 | 0 | 0 | 111.3 | F280 V281 L284 V324 T325 | C275-F280 HydrophobicContact CB-CB 4.24Å; C275-V281 HydrophobicContact CB-CG2 3.67Å; C275-L284 WeakPolarHBondContact SG-CD1 3.45Å; C275-V324 PolarHBondContact N-O 2.79Å; C275-T325 WeakPolarHBondContact O-CA 3.27Å |
| 276 | A | 88.4 | Confident | 87.5 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 33% | 0.331 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -73.1 | -42.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | H344 Y423 | A276-H344 HydrophobicContact CB-CB 4.01Å; A276-H344 PolarHBondContact N-ND1 3.39Å; A276-Y423 HydrophobicContact CB-CD2 3.56Å; A276-Y423 HydrophobicContact CB-CE2 3.42Å; A276-Y423 VanDerWaalsContact CB-CE2 3.42Å |
| 277 | T | 87.8 | Confident | 88.6 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 9% | 0.092 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -120.2 | 154 | -172 | 73 | 0 | 0 | 0 | 0 | 112.4 | H279 F280 V281 Y423 S426 | T277-H279 PolarHBondContact O-N 2.85Å; T277-F280 PolarHBondContact O-N 2.84Å; T277-F280 PolarHBondContact OG1-N 3.47Å; T277-V281 PolarHBondContact O-N 3.33Å; T277-V281 VanDerWaalsContact O-N 3.16Å; T277-Y423 HydrophobicContact CG2-CD2 4.38Å; T277-S426 VanDerWaalsContact CG2-OG 3.31Å; T277-S426 WeakPolarHBondContact CG2-OG 3.41Å |
| 278 | K | 86.9 | Confident | 89.8 | Confident | 90 Ų | 90 | 28.5 Ų | 28.5 | 39% | 0.391 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -58.6 | -36.8 | 174.6 | 70.3 | 176 | -172.7 | 171.6 | 0 | 112.6 | F280 V281 E282 Y299 | K278-F280 VanDerWaalsContact C-N 3.32Å; K278-F280 PolarHBondContact O-N 2.99Å; K278-V281 WeakPolarHBondContact O-CB 3.42Å; K278-V281 PolarHBondContact O-N 2.76Å; K278-V281 VanDerWaalsContact O-N 3.1Å; K278-E282 WeakPolarHBondContact O-CG 3.11Å; K278-E282 PolarHBondContact O-N 3.03Å; K278-Y299 HydrophobicContact CB-CD1 4.21Å; K278-Y299 HydrophobicContact CB-CD2 4.2Å; K278-Y299 HydrophobicContact CB-CG 3.91Å |
| 279 | H | 86.2 | Confident | 90.6 | Very high | 60 Ų | 60 | 25.9 Ų | 25.9 | 28% | 0.278 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -63.7 | -40.2 | -179.1 | -63 | -65.7 | 0 | 0 | 0 | 111.2 | T277 E282 Y283 S419 | T277-H279 PolarHBondContact O-N 2.85Å; H279-E282 PolarHBondContact O-N 3.3Å; H279-Y283 VanDerWaalsContact O-CB 3.31Å; H279-Y283 WeakPolarHBondContact O-CB 3.23Å; H279-Y283 PolarHBondContact O-N 2.86Å; H279-S419 PolarHBondContact O-OG 2.92Å |
| 280 | F | 89.6 | Confident | 90.8 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.2 | -32.8 | 173.7 | -96.6 | -70.8 | 0 | 0 | 0 | 113.6 | C275 T277 K278 Y283 L284 Y343 H344 F416 S419 M420 Y423 | C275-F280 HydrophobicContact CB-CB 4.24Å; T277-F280 PolarHBondContact O-N 2.84Å; T277-F280 PolarHBondContact OG1-N 3.47Å; K278-F280 VanDerWaalsContact C-N 3.32Å; K278-F280 PolarHBondContact O-N 2.99Å; F280-Y283 HydrophobicContact CD1-CD1 4.03Å; F280-Y283 HydrophobicContact CE1-CD1 4.21Å; F280-L284 WeakPolarHBondContact O-CB 3.4Å; F280-L284 WeakPolarHBondContact O-CG 3.42Å; F280-L284 PolarHBondContact O-N 3.2Å; F280-Y343 HydrophobicContact CD1-CE1 4.15Å; F280-Y343 HydrophobicContact CE1-CE1 4.21Å; F280-H344 AromaticContact CD1-CE1 3.81Å; F280-H344 AromaticContact CD2-CE1 3.61Å; F280-H344 AromaticContact CE2-CE1 3.99Å; F280-H344 AromaticContact CE2-NE2 4Å; F280-H344 AromaticContact CG-CE1 3.51Å; F280-F416 HydrophobicContact CE1-CD2 4.45Å; F280-F416 HydrophobicContact CE1-CE2 4.16Å; F280-F416 HydrophobicContact CZ-CE2 4.48Å; F280-S419 WeakPolarHBondContact CE2-O 3.12Å; F280-M420 HydrophobicContact CE2-CG 4.37Å; F280-M420 HydrophobicContact CZ-CB 4.45Å; F280-M420 HydrophobicContact CZ-CG 3.72Å; F280-Y423 HydrophobicContact CE2-CG 4.23Å |
| 281 | V | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -47.8 | 173.1 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | C275 T277 K278 Y285 Y297 Y299 V323 T325 | C275-V281 HydrophobicContact CB-CG2 3.67Å; T277-V281 PolarHBondContact O-N 3.33Å; T277-V281 VanDerWaalsContact O-N 3.16Å; K278-V281 WeakPolarHBondContact O-CB 3.42Å; K278-V281 PolarHBondContact O-N 2.76Å; K278-V281 VanDerWaalsContact O-N 3.1Å; V281-Y285 VanDerWaalsContact O-CB 3.28Å; V281-Y285 WeakPolarHBondContact O-CB 3.39Å; V281-Y285 PolarHBondContact O-N 3.12Å; V281-Y297 HydrophobicContact CG1-CD2 4.2Å; V281-Y297 HydrophobicContact CG1-CG 4.27Å; V281-Y299 HydrophobicContact CG1-CD1 4.17Å; V281-V323 HydrophobicContact CB-CG1 4.33Å; V281-V323 HydrophobicContact CG1-CB 4.36Å; V281-V323 HydrophobicContact CG1-CG1 4.12Å; V281-V323 HydrophobicContact CG2-CG1 4.21Å; V281-T325 HydrophobicContact CG2-CG2 3.61Å |
| 282 | E | 90.9 | Very high | 90.4 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 28% | 0.28 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.9 | -47.3 | 177.6 | -69.7 | 170 | 166 | 0 | 0 | 111.4 | K278 H279 L284 Y285 E286 Y299 | K278-E282 WeakPolarHBondContact O-CG 3.11Å; K278-E282 PolarHBondContact O-N 3.03Å; H279-E282 PolarHBondContact O-N 3.3Å; E282-L284 PolarHBondContact O-N 2.84Å; E282-Y285 WeakPolarHBondContact O-CB 3.19Å; E282-Y285 PolarHBondContact O-N 3.42Å; E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3Å; E282-Y299 HydrophobicContact CG-CE1 3.85Å; E282-Y299 VanDerWaalsContact OE1-CE1 3.29Å; E282-Y299 WeakPolarHBondContact OE1-CE1 3.24Å; E282-Y299 VanDerWaalsContact OE1-CZ 3.22Å; E282-Y299 PolarHBondContact OE1-OH 2.96Å |
| 283 | Y | 89.6 | Confident | 90.3 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.9 | -50.8 | 176.8 | 168.7 | -104.7 | 0 | 0 | 0 | 112.5 | L252 H279 F280 Y285 E286 V287 I413 F416 | L252-Y283 HydrophobicContact CD2-CE1 4.47Å; L252-Y283 VanDerWaalsContact CD2-OH 3.27Å; L252-Y283 WeakPolarHBondContact CD2-OH 3.18Å; L252-Y283 HydrophobicContact CG-CE1 4.3Å; H279-Y283 VanDerWaalsContact O-CB 3.31Å; H279-Y283 WeakPolarHBondContact O-CB 3.23Å; H279-Y283 PolarHBondContact O-N 2.86Å; F280-Y283 HydrophobicContact CD1-CD1 4.03Å; F280-Y283 HydrophobicContact CE1-CD1 4.21Å; Y283-Y285 VanDerWaalsContact C-N 3.29Å; Y283-Y285 PolarHBondContact O-N 2.99Å; Y283-E286 PolarHBondContact O-N 3Å; Y283-V287 HydrophobicContact CD2-CG2 4.26Å; Y283-V287 HydrophobicContact CE1-CG2 4.18Å; Y283-V287 HydrophobicContact CE2-CG2 3.74Å; Y283-V287 WeakPolarHBondContact O-CG2 3.49Å; Y283-V287 PolarHBondContact O-N 3.47Å; Y283-I413 HydrophobicContact CD2-CB 4.2Å; Y283-I413 HydrophobicContact CD2-CD1 4.41Å; Y283-I413 HydrophobicContact CE2-CB 3.98Å; Y283-I413 HydrophobicContact CE2-CD1 4.25Å; Y283-I413 HydrophobicContact CE2-CG1 4.27Å; Y283-F416 HydrophobicContact CD1-CD2 4.05Å; Y283-F416 HydrophobicContact CD2-CB 4.15Å; Y283-F416 HydrophobicContact CD2-CD2 4.4Å; Y283-F416 AromaticContact CE1-CD2 3.42Å; Y283-F416 HydrophobicContact CE1-CD2 3.42Å; Y283-F416 VanDerWaalsContact CE1-CD2 3.42Å; Y283-F416 AromaticContact CE1-CE2 3.89Å; Y283-F416 HydrophobicContact CE1-CE2 3.89Å; Y283-F416 HydrophobicContact CE1-CG 4.46Å; Y283-F416 HydrophobicContact CE2-CB 3.64Å; Y283-F416 AromaticContact CE2-CD2 3.82Å; Y283-F416 HydrophobicContact CE2-CD2 3.82Å; Y283-F416 HydrophobicContact CE2-CG 4.12Å; Y283-F416 HydrophobicContact CG-CD2 4.5Å; Y283-F416 AromaticContact CZ-CD2 3.28Å; Y283-F416 AromaticContact CZ-CG 3.92Å; Y283-F416 WeakPolarHBondContact OH-CD2 3.43Å |
| 284 | L | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -37.2 | 179.4 | -74.4 | -172.3 | 0 | 0 | 0 | 111.7 | L252 L255 I273 C275 F280 E282 V287 L288 V323 Y343 | L252-L284 HydrophobicContact CD1-CD2 3.86Å; L252-L284 HydrophobicContact CG-CD2 4.47Å; L255-L284 HydrophobicContact CD2-CD1 4Å; L255-L284 HydrophobicContact CD2-CD2 4.08Å; I273-L284 HydrophobicContact CG2-CD1 4.42Å; C275-L284 WeakPolarHBondContact SG-CD1 3.45Å; F280-L284 WeakPolarHBondContact O-CB 3.4Å; F280-L284 WeakPolarHBondContact O-CG 3.42Å; F280-L284 PolarHBondContact O-N 3.2Å; E282-L284 PolarHBondContact O-N 2.84Å; L284-V287 PolarHBondContact O-N 2.89Å; L284-L288 VanDerWaalsContact O-CB 3.32Å; L284-L288 WeakPolarHBondContact O-CB 3.29Å; L284-L288 WeakPolarHBondContact O-CG 3.24Å; L284-L288 PolarHBondContact O-N 2.96Å; L284-V323 HydrophobicContact CB-CG1 4.28Å; L284-V323 HydrophobicContact CD1-CG1 4.33Å; L284-Y343 HydrophobicContact CD1-CD1 4.11Å; L284-Y343 HydrophobicContact CD1-CD2 4.1Å; L284-Y343 HydrophobicContact CD1-CE1 4.41Å; L284-Y343 HydrophobicContact CD1-CE2 4.37Å; L284-Y343 HydrophobicContact CD1-CG 3.95Å; L284-Y343 HydrophobicContact CD2-CE2 4.21Å |
| 285 | Y | 93.4 | Very high | 90.1 | Very high | 53 Ų | 53 | 52.3 Ų | 52.3 | 21% | 0.208 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 175.2 | 172.9 | -100.5 | 0 | 0 | 0 | 111.6 | V281 E282 Y283 V287 L288 Q289 C295 Y297 | V281-Y285 VanDerWaalsContact O-CB 3.28Å; V281-Y285 WeakPolarHBondContact O-CB 3.39Å; V281-Y285 PolarHBondContact O-N 3.12Å; E282-Y285 WeakPolarHBondContact O-CB 3.19Å; E282-Y285 PolarHBondContact O-N 3.42Å; Y283-Y285 VanDerWaalsContact C-N 3.29Å; Y283-Y285 PolarHBondContact O-N 2.99Å; Y285-V287 PolarHBondContact O-N 3.33Å; Y285-L288 PolarHBondContact O-N 3.36Å; Y285-Q289 VanDerWaalsContact CZ-OE1 3.22Å; Y285-Q289 VanDerWaalsContact O-CB 3.23Å; Y285-Q289 WeakPolarHBondContact O-CB 3.36Å; Y285-Q289 PolarHBondContact O-N 3.48Å; Y285-Q289 PolarHBondContact OH-OE1 3.04Å; Y285-Q289 VanDerWaalsContact OH-OE1 3.12Å; Y285-C295 HydrophobicContact CD2-CB 4.48Å; Y285-C295 VanDerWaalsContact CD2-SG 3.53Å; Y285-C295 WeakPolarHBondContact CE2-O 3.36Å; Y285-Y297 AromaticContact CD1-CD1 3.69Å; Y285-Y297 HydrophobicContact CD1-CD1 3.69Å; Y285-Y297 AromaticContact CD1-CE1 3.78Å; Y285-Y297 HydrophobicContact CD1-CE1 3.78Å; Y285-Y297 AromaticContact CD2-CD1 3.48Å; Y285-Y297 HydrophobicContact CD2-CD1 3.48Å; Y285-Y297 VanDerWaalsContact CD2-CD1 3.48Å; Y285-Y297 HydrophobicContact CD2-CE1 4.26Å; Y285-Y297 HydrophobicContact CD2-CG 4.35Å; Y285-Y297 AromaticContact CE1-CD1 3.94Å; Y285-Y297 HydrophobicContact CE1-CD1 3.94Å; Y285-Y297 AromaticContact CE1-CE1 3.73Å; Y285-Y297 HydrophobicContact CE1-CE1 3.73Å; Y285-Y297 AromaticContact CE2-CD1 3.72Å; Y285-Y297 HydrophobicContact CE2-CD1 3.72Å; Y285-Y297 HydrophobicContact CE2-CE1 4.19Å; Y285-Y297 AromaticContact CG-CD1 3.45Å; Y285-Y297 HydrophobicContact CG-CD1 3.45Å; Y285-Y297 VanDerWaalsContact CG-CD1 3.45Å; Y285-Y297 HydrophobicContact CG-CE1 4.05Å; Y285-Y297 HydrophobicContact CG-CG 4.23Å; Y285-Y297 AromaticContact CZ-CD1 3.95Å; Y285-Y297 AromaticContact CZ-CE1 3.94Å |
| 286 | E | 90.7 | Very high | 90.2 | Very high | 66 Ų | 66 | 52.5 Ų | 52.5 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 176.5 | -71.3 | 177.9 | 169.5 | 0 | 0 | 112.2 | E282 Y283 R290 I413 | E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3Å; Y283-E286 PolarHBondContact O-N 3Å; E286-R290 VanDerWaalsContact O-CG 3.31Å; E286-R290 WeakPolarHBondContact O-CG 3.23Å; E286-R290 PolarHBondContact O-N 3.34Å; E286-R290 VanDerWaalsContact O-N 3.09Å; E286-I413 HydrophobicContact CB-CD1 3.83Å; E286-I413 VanDerWaalsContact OE2-CG2 3.3Å; E286-I413 WeakPolarHBondContact OE2-CG2 3.13Å |
| 287 | V | 90 | Very high | 90.5 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -50.9 | 176.6 | 175 | 0 | 0 | 0 | 0 | 111.1 | L252 L256 Y283 L284 Y285 Q289 R290 L291 I413 | L252-V287 HydrophobicContact CD1-CG1 4.07Å; L252-V287 HydrophobicContact CD2-CG1 4.3Å; L256-V287 HydrophobicContact CD1-CG1 4.47Å; Y283-V287 HydrophobicContact CD2-CG2 4.26Å; Y283-V287 HydrophobicContact CE1-CG2 4.18Å; Y283-V287 HydrophobicContact CE2-CG2 3.74Å; Y283-V287 WeakPolarHBondContact O-CG2 3.49Å; Y283-V287 PolarHBondContact O-N 3.47Å; L284-V287 PolarHBondContact O-N 2.89Å; Y285-V287 PolarHBondContact O-N 3.33Å; V287-Q289 VanDerWaalsContact C-N 3.33Å; V287-Q289 PolarHBondContact O-N 3.43Å; V287-R290 PolarHBondContact O-N 2.96Å; V287-L291 HydrophobicContact CG1-CD1 4.01Å; V287-L291 WeakPolarHBondContact O-CG 3.28Å; V287-L291 PolarHBondContact O-N 2.74Å; V287-I413 HydrophobicContact CG2-CD1 3.54Å; V287-I413 HydrophobicContact CG2-CG1 4.43Å |
| 288 | L | 91.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -39.3 | -178.4 | -71.2 | 174.7 | 0 | 0 | 0 | 111.8 | L256 L259 I273 L284 Y285 L291 K292 F293 C295 I321 V323 | L256-L288 HydrophobicContact CD2-CD2 3.87Å; L259-L288 HydrophobicContact CD1-CD2 3.57Å; I273-L288 HydrophobicContact CD1-CD1 4.26Å; L284-L288 VanDerWaalsContact O-CB 3.32Å; L284-L288 WeakPolarHBondContact O-CB 3.29Å; L284-L288 WeakPolarHBondContact O-CG 3.24Å; L284-L288 PolarHBondContact O-N 2.96Å; Y285-L288 PolarHBondContact O-N 3.36Å; L288-L291 CarbonylContact O-C 3.53Å; L288-L291 PolarHBondContact O-N 3.46Å; L288-K292 PolarHBondContact O-N 2.93Å; L288-F293 HydrophobicContact CB-CB 4.16Å; L288-F293 HydrophobicContact CB-CD2 4.48Å; L288-F293 HydrophobicContact CD2-CB 4.35Å; L288-F293 HydrophobicContact CD2-CD2 3.66Å; L288-F293 HydrophobicContact CD2-CE2 4.24Å; L288-F293 HydrophobicContact CD2-CG 4.14Å; L288-F293 WeakPolarHBondContact O-CB 3.39Å; L288-F293 PolarHBondContact O-N 3.46Å; L288-C295 HydrophobicContact CB-CB 4.29Å; L288-C295 VanDerWaalsContact CB-SG 3.56Å; L288-C295 HydrophobicContact CD1-CB 4.24Å; L288-I321 HydrophobicContact CD1-CD1 4.48Å; L288-I321 HydrophobicContact CD1-CG2 4.16Å; L288-V323 HydrophobicContact CD1-CG2 3.9Å |
| 289 | Q | 90 | Very high | 90.8 | Very high | 103 Ų | 103 | 49.8 Ų | 49.8 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.1 | -38.5 | 177.5 | -170.7 | 178.4 | -1.7 | 0 | 0 | 111.9 | Y285 V287 L291 K292 | Y285-Q289 VanDerWaalsContact CZ-OE1 3.22Å; Y285-Q289 VanDerWaalsContact O-CB 3.23Å; Y285-Q289 WeakPolarHBondContact O-CB 3.36Å; Y285-Q289 PolarHBondContact O-N 3.48Å; Y285-Q289 PolarHBondContact OH-OE1 3.04Å; Y285-Q289 VanDerWaalsContact OH-OE1 3.12Å; V287-Q289 VanDerWaalsContact C-N 3.33Å; V287-Q289 PolarHBondContact O-N 3.43Å; Q289-L291 VanDerWaalsContact C-N 3.33Å; Q289-K292 PolarHBondContact O-N 3.5Å; Q289-K292 VanDerWaalsContact O-N 3.12Å |
| 290 | R | 88.1 | Confident | 90.6 | Very high | 134 Ų | 134 | 50.3 Ų | 50.3 | 51% | 0.506 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 173.8 | -75.4 | 178.6 | -175.5 | -165.1 | 3.1 | 112 | E286 V287 K292 | E286-R290 VanDerWaalsContact O-CG 3.31Å; E286-R290 WeakPolarHBondContact O-CG 3.23Å; E286-R290 PolarHBondContact O-N 3.34Å; E286-R290 VanDerWaalsContact O-N 3.09Å; V287-R290 PolarHBondContact O-N 2.96Å; R290-K292 PolarHBondContact O-N 3.33Å |
| 291 | L | 87.9 | Confident | 90.2 | Very high | 75 Ų | 75 | 54.1 Ų | 54.1 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 13.1 | 174.3 | -63.2 | 174.4 | 0 | 0 | 0 | 113.4 | L256 V287 L288 Q289 F293 | L256-L291 HydrophobicContact CD1-CD1 3.59Å; L256-L291 HydrophobicContact CD2-CD1 3.41Å; L256-L291 VanDerWaalsContact CD2-CD1 3.41Å; L256-L291 HydrophobicContact CG-CD1 4.11Å; V287-L291 HydrophobicContact CG1-CD1 4.01Å; V287-L291 WeakPolarHBondContact O-CG 3.28Å; V287-L291 PolarHBondContact O-N 2.74Å; L288-L291 CarbonylContact O-C 3.53Å; L288-L291 PolarHBondContact O-N 3.46Å; Q289-L291 VanDerWaalsContact C-N 3.33Å; L291-F293 HydrophobicContact CB-CD2 3.73Å; L291-F293 HydrophobicContact CB-CE2 3.81Å; L291-F293 HydrophobicContact CD1-CE2 4.32Å; L291-F293 PolarHBondContact O-N 3.02Å; L291-F293 VanDerWaalsContact O-N 3.14Å |
| 292 | K | 88 | Confident | 89.7 | Confident | 184 Ų | 184 | 55.2 Ų | 55.2 | 80% | 0.8 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 17.1 | 175.2 | -52 | -60.1 | -170 | 179.8 | 0 | 115.1 | L288 Q289 R290 | L288-K292 PolarHBondContact O-N 2.93Å; Q289-K292 PolarHBondContact O-N 3.5Å; Q289-K292 VanDerWaalsContact O-N 3.12Å; R290-K292 PolarHBondContact O-N 3.33Å |
| 293 | F | 90.7 | Very high | 89.3 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 17% | 0.171 | 28% | 0.277 | C | S | . | . | trans | -69.8 | 133.5 | 169.6 | -69.8 | -76.4 | 0 | 0 | 0 | 110.5 | L256 L259 E260 I265 L288 L291 C295 I321 | L256-F293 HydrophobicContact CD2-CE2 4.13Å; L259-F293 HydrophobicContact CB-CE1 3.98Å; L259-F293 HydrophobicContact CB-CZ 4.04Å; E260-F293 HydrophobicContact CB-CZ 4.49Å; I265-F293 HydrophobicContact CD1-CD1 3.68Å; I265-F293 HydrophobicContact CD1-CE1 3.75Å; L288-F293 HydrophobicContact CB-CB 4.16Å; L288-F293 HydrophobicContact CB-CD2 4.48Å; L288-F293 HydrophobicContact CD2-CB 4.35Å; L288-F293 HydrophobicContact CD2-CD2 3.66Å; L288-F293 HydrophobicContact CD2-CE2 4.24Å; L288-F293 HydrophobicContact CD2-CG 4.14Å; L288-F293 WeakPolarHBondContact O-CB 3.39Å; L288-F293 PolarHBondContact O-N 3.46Å; L291-F293 HydrophobicContact CB-CD2 3.73Å; L291-F293 HydrophobicContact CB-CE2 3.81Å; L291-F293 HydrophobicContact CD1-CE2 4.32Å; L291-F293 PolarHBondContact O-N 3.02Å; L291-F293 VanDerWaalsContact O-N 3.14Å; F293-C295 VanDerWaalsContact C-N 3.33Å; F293-C295 PolarHBondContact O-N 3Å; F293-I321 HydrophobicContact CB-CD1 4.01Å; F293-I321 HydrophobicContact CD1-CD1 4.11Å; F293-I321 HydrophobicContact CG-CD1 4.22Å | ||
| 294 | K | 91.8 | Very high | 88.7 | Confident | 147 Ų | 147 | 59 Ų | 59 | 64% | 0.639 | 29% | 0.29 | S | S | * | . | trans | -73.3 | 85.9 | 172.6 | -66.2 | -177 | -177.8 | 176.6 | 0 | 109.8 | A319 K320 I321 | K294-A319 CarbonylContact O-C 3.55Å; K294-A319 WeakPolarHBondContact O-CA 3.38Å; K294-K320 PolarHBondContact O-N 3.43Å; K294-I321 PolarHBondContact O-N 3.5Å; K294-I321 VanDerWaalsContact O-N 3.14Å | ||
| 295 | C | 93.6 | Very high | 88.2 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 10% | 0.101 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 158.6 | -179.6 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | Y285 L288 F293 I321 | Y285-C295 HydrophobicContact CD2-CB 4.48Å; Y285-C295 VanDerWaalsContact CD2-SG 3.53Å; Y285-C295 WeakPolarHBondContact CE2-O 3.36Å; L288-C295 HydrophobicContact CB-CB 4.29Å; L288-C295 VanDerWaalsContact CB-SG 3.56Å; L288-C295 HydrophobicContact CD1-CB 4.24Å; F293-C295 VanDerWaalsContact C-N 3.33Å; F293-C295 PolarHBondContact O-N 3Å; C295-I321 CarbonylContact C-O 3.48Å; C295-I321 VanDerWaalsContact CA-O 3.24Å; C295-I321 WeakPolarHBondContact CA-O 3.28Å; C295-I321 HydrophobicContact CB-CB 3.85Å; C295-I321 HydrophobicContact CB-CG2 4.13Å |
| 296 | T | 95.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 172.1 | 165.4 | -167.1 | 0 | 0 | 0 | 0 | 109 | N310 F314 A319 I321 L322 V323 | T296-N310 WeakPolarHBondContact CG2-O 3.33Å; T296-N310 VanDerWaalsContact OG1-CB 3.29Å; T296-N310 WeakPolarHBondContact OG1-CB 3.43Å; T296-N310 PolarHBondContact OG1-OD1 3.4Å; T296-F314 HydrophobicContact CG2-CB 3.94Å; T296-A319 HydrophobicContact CG2-CB 3.76Å; T296-I321 PolarHBondContact N-O 3.44Å; T296-L322 HydrophobicContact CG2-CB 4.5Å; T296-L322 HydrophobicContact CG2-CD1 3.48Å; T296-L322 VanDerWaalsContact CG2-CD1 3.48Å; T296-L322 WeakPolarHBondContact O-CA 3.28Å; T296-V323 PolarHBondContact O-N 3.49Å |
| 297 | Y | 94.8 | Very high | 87.7 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 158.1 | -171.8 | 68 | -90.1 | 0 | 0 | 0 | 113.5 | V281 Y285 Y299 M302 N310 V323 | V281-Y297 HydrophobicContact CG1-CD2 4.2Å; V281-Y297 HydrophobicContact CG1-CG 4.27Å; Y285-Y297 AromaticContact CD1-CD1 3.69Å; Y285-Y297 HydrophobicContact CD1-CD1 3.69Å; Y285-Y297 AromaticContact CD1-CE1 3.78Å; Y285-Y297 HydrophobicContact CD1-CE1 3.78Å; Y285-Y297 AromaticContact CD2-CD1 3.48Å; Y285-Y297 HydrophobicContact CD2-CD1 3.48Å; Y285-Y297 VanDerWaalsContact CD2-CD1 3.48Å; Y285-Y297 HydrophobicContact CD2-CE1 4.26Å; Y285-Y297 HydrophobicContact CD2-CG 4.35Å; Y285-Y297 AromaticContact CE1-CD1 3.94Å; Y285-Y297 HydrophobicContact CE1-CD1 3.94Å; Y285-Y297 AromaticContact CE1-CE1 3.73Å; Y285-Y297 HydrophobicContact CE1-CE1 3.73Å; Y285-Y297 AromaticContact CE2-CD1 3.72Å; Y285-Y297 HydrophobicContact CE2-CD1 3.72Å; Y285-Y297 HydrophobicContact CE2-CE1 4.19Å; Y285-Y297 AromaticContact CG-CD1 3.45Å; Y285-Y297 HydrophobicContact CG-CD1 3.45Å; Y285-Y297 VanDerWaalsContact CG-CD1 3.45Å; Y285-Y297 HydrophobicContact CG-CE1 4.05Å; Y285-Y297 HydrophobicContact CG-CG 4.23Å; Y285-Y297 AromaticContact CZ-CD1 3.95Å; Y285-Y297 AromaticContact CZ-CE1 3.94Å; Y297-Y299 AromaticContact CD2-CD1 3.94Å; Y297-Y299 HydrophobicContact CD2-CD1 3.94Å; Y297-Y299 AromaticContact CD2-CE1 3.75Å; Y297-Y299 HydrophobicContact CD2-CE1 3.75Å; Y297-Y299 HydrophobicContact CE2-CD1 4.21Å; Y297-Y299 AromaticContact CE2-CE1 3.56Å; Y297-Y299 HydrophobicContact CE2-CE1 3.56Å; Y297-M302 HydrophobicContact CD2-CE 4.18Å; Y297-M302 HydrophobicContact CD2-SD 3.95Å; Y297-M302 HydrophobicContact CE2-CE 3.67Å; Y297-M302 HydrophobicContact CE2-SD 3.88Å; Y297-N310 PolarHBondContact O-ND2 3.26Å; Y297-V323 CarbonylContact C-O 3.42Å; Y297-V323 WeakPolarHBondContact CA-O 3.49Å |
| 298 | L | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 123.8 | -179.5 | -163.3 | 68 | 0 | 0 | 0 | 114.1 | M302 R307 V311 L322 V323 V324 T325 A328 V332 | L298-M302 HydrophobicContact CD1-SD 3.93Å; L298-R307 HydrophobicContact CD1-CB 3.85Å; L298-R307 HydrophobicContact CD1-CG 3.51Å; L298-R307 VanDerWaalsContact CD2-NH1 3.27Å; L298-V311 HydrophobicContact CD1-CG2 4.3Å; L298-V311 HydrophobicContact CD2-CG2 3.89Å; L298-L322 HydrophobicContact CB-CD1 4.25Å; L298-V323 PolarHBondContact N-O 3.4Å; L298-V324 HydrophobicContact CB-CB 4.46Å; L298-V324 HydrophobicContact CB-CG1 3.86Å; L298-V324 VanDerWaalsContact O-CA 3.29Å; L298-V324 WeakPolarHBondContact O-CA 3.22Å; L298-T325 PolarHBondContact O-N 2.74Å; L298-T325 VanDerWaalsContact O-N 3.13Å; L298-A328 HydrophobicContact CD2-CB 4.44Å; L298-A328 WeakPolarHBondContact CD2-O 3.41Å; L298-A328 HydrophobicContact CG-CB 4.09Å; L298-A328 WeakPolarHBondContact O-CB 3.24Å; L298-V332 HydrophobicContact CD2-CG1 4.47Å; L298-V332 HydrophobicContact CD2-CG2 3.75Å |
| 299 | Y | 89.1 | Confident | 87.4 | Confident | 32 Ų | 32 | 73.4 Ų | 73.4 | 13% | 0.125 | 36% | 0.36 | C | S | . | . | trans | -135.4 | 172.5 | 169.3 | 56.2 | -101.1 | 0 | 0 | 0 | 111.5 | K278 V281 E282 Y297 S301 M302 A328 | K278-Y299 HydrophobicContact CB-CD1 4.21Å; K278-Y299 HydrophobicContact CB-CD2 4.2Å; K278-Y299 HydrophobicContact CB-CG 3.91Å; V281-Y299 HydrophobicContact CG1-CD1 4.17Å; E282-Y299 HydrophobicContact CG-CE1 3.85Å; E282-Y299 VanDerWaalsContact OE1-CE1 3.29Å; E282-Y299 WeakPolarHBondContact OE1-CE1 3.24Å; E282-Y299 VanDerWaalsContact OE1-CZ 3.22Å; E282-Y299 PolarHBondContact OE1-OH 2.96Å; Y297-Y299 AromaticContact CD2-CD1 3.94Å; Y297-Y299 HydrophobicContact CD2-CD1 3.94Å; Y297-Y299 AromaticContact CD2-CE1 3.75Å; Y297-Y299 HydrophobicContact CD2-CE1 3.75Å; Y297-Y299 HydrophobicContact CE2-CD1 4.21Å; Y297-Y299 AromaticContact CE2-CE1 3.56Å; Y297-Y299 HydrophobicContact CE2-CE1 3.56Å; Y299-S301 WeakPolarHBondContact CD2-OG 3.43Å; Y299-S301 VanDerWaalsContact CE2-OG 3.27Å; Y299-S301 WeakPolarHBondContact CE2-OG 3.22Å; Y299-M302 HydrophobicContact CD1-CG 4.03Å; Y299-M302 HydrophobicContact CD1-SD 4.04Å; Y299-M302 HydrophobicContact CD2-CB 4.46Å; Y299-M302 HydrophobicContact CD2-CG 3.41Å; Y299-M302 VanDerWaalsContact CD2-CG 3.41Å; Y299-M302 HydrophobicContact CD2-SD 4.41Å; Y299-M302 HydrophobicContact CE1-CG 3.96Å; Y299-M302 HydrophobicContact CE1-SD 4.16Å; Y299-M302 HydrophobicContact CE2-CB 4.32Å; Y299-M302 HydrophobicContact CE2-CG 3.27Å; Y299-M302 HydrophobicContact CE2-SD 4.46Å; Y299-M302 HydrophobicContact CG-CG 3.79Å; Y299-M302 HydrophobicContact CG-SD 4.19Å; Y299-M302 PolarHBondContact N-SD 3.42Å; Y299-M302 VanDerWaalsContact N-SD 3.36Å; Y299-M302 WeakPolarHBondContact O-CG 3.17Å; Y299-A328 VanDerWaalsContact C-CB 3.41Å | ||
| 300 | S | 81.5 | Confident | 87.5 | Confident | 71 Ų | 71 | 69.2 Ų | 69.2 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -34.1 | -168.7 | 52.2 | 0 | 0 | 0 | 0 | 115 | M302 | S300-M302 PolarHBondContact O-N 2.97Š|
| 301 | S | 80.1 | Confident | 87.5 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 57% | 0.566 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 9.2 | 179.3 | 63.7 | 0 | 0 | 0 | 0 | 114 | Y299 | Y299-S301 WeakPolarHBondContact CD2-OG 3.43Å; Y299-S301 VanDerWaalsContact CE2-OG 3.27Å; Y299-S301 WeakPolarHBondContact CE2-OG 3.22Å |
| 302 | M | 82.4 | Confident | 87.6 | Confident | 23 Ų | 23 | 62.6 Ų | 62.6 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -71 | 148.9 | 175 | -66.5 | -173.9 | 68 | 0 | 0 | 110.6 | Y297 L298 Y299 S300 A306 R307 N310 | Y297-M302 HydrophobicContact CD2-CE 4.18Å; Y297-M302 HydrophobicContact CD2-SD 3.95Å; Y297-M302 HydrophobicContact CE2-CE 3.67Å; Y297-M302 HydrophobicContact CE2-SD 3.88Å; L298-M302 HydrophobicContact CD1-SD 3.93Å; Y299-M302 HydrophobicContact CD1-CG 4.03Å; Y299-M302 HydrophobicContact CD1-SD 4.04Å; Y299-M302 HydrophobicContact CD2-CB 4.46Å; Y299-M302 HydrophobicContact CD2-CG 3.41Å; Y299-M302 VanDerWaalsContact CD2-CG 3.41Å; Y299-M302 HydrophobicContact CD2-SD 4.41Å; Y299-M302 HydrophobicContact CE1-CG 3.96Å; Y299-M302 HydrophobicContact CE1-SD 4.16Å; Y299-M302 HydrophobicContact CE2-CB 4.32Å; Y299-M302 HydrophobicContact CE2-CG 3.27Å; Y299-M302 HydrophobicContact CE2-SD 4.46Å; Y299-M302 HydrophobicContact CG-CG 3.79Å; Y299-M302 HydrophobicContact CG-SD 4.19Å; Y299-M302 PolarHBondContact N-SD 3.42Å; Y299-M302 VanDerWaalsContact N-SD 3.36Å; Y299-M302 WeakPolarHBondContact O-CG 3.17Å; S300-M302 PolarHBondContact O-N 2.97Å; M302-A306 HydrophobicContact CE-CB 4.26Å; M302-R307 HydrophobicContact CB-CB 4.42Å; M302-N310 WeakPolarHBondContact CE-ND2 3.46Å |
| 303 | D | 81.9 | Confident | 87.8 | Confident | 105 Ų | 105 | 57.5 Ų | 57.5 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | trans | -58.3 | 145.1 | 168.2 | 179.9 | 68.8 | 0 | 0 | 0 | 111.1 | E305 A306 R307 | D303-E305 VanDerWaalsContact C-N 3.3Å; D303-E305 PolarHBondContact O-N 3.15Å; D303-E305 WeakPolarHBondContact OD2-CA 3.45Å; D303-E305 WeakPolarHBondContact OD2-CB 3.49Å; D303-E305 PolarHBondContact OD2-N 3.1Å; D303-A306 HydrophobicContact CB-CB 4.19Å; D303-A306 PolarHBondContact O-N 3.12Å; D303-A306 PolarHBondContact OD2-N 2.77Å; D303-R307 VanDerWaalsContact O-CB 3.22Å; D303-R307 WeakPolarHBondContact O-CB 3.44Å; D303-R307 PolarHBondContact O-N 3.18Å | ||
| 304 | A | 77.2 | Confident | 87.8 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.6 | -35.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R308 | A304-R308 WeakPolarHBondContact O-CB 3.3Å; A304-R308 PolarHBondContact O-N 3.32Å |
| 305 | E | 82.9 | Confident | 87.7 | Confident | 132 Ų | 132 | 55.5 Ų | 55.5 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -70.7 | -46.5 | 176.7 | -171.5 | 176.1 | -167.3 | 0 | 0 | 110.9 | D303 R307 R308 L309 | D303-E305 VanDerWaalsContact C-N 3.3Å; D303-E305 PolarHBondContact O-N 3.15Å; D303-E305 WeakPolarHBondContact OD2-CA 3.45Å; D303-E305 WeakPolarHBondContact OD2-CB 3.49Å; D303-E305 PolarHBondContact OD2-N 3.1Å; E305-R307 VanDerWaalsContact C-N 3.32Å; E305-R307 PolarHBondContact O-N 2.94Å; E305-R308 WeakPolarHBondContact O-CB 3.2Å; E305-R308 PolarHBondContact O-N 2.98Å; E305-L309 WeakPolarHBondContact O-CB 3.45Å; E305-L309 PolarHBondContact O-N 3.03Å |
| 306 | A | 86.5 | Confident | 87.4 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | M302 D303 L309 N310 | M302-A306 HydrophobicContact CE-CB 4.26Å; D303-A306 HydrophobicContact CB-CB 4.19Å; D303-A306 PolarHBondContact O-N 3.12Å; D303-A306 PolarHBondContact OD2-N 2.77Å; A306-L309 PolarHBondContact O-N 3.13Å; A306-N310 PolarHBondContact O-N 2.69Å |
| 307 | R | 86.2 | Confident | 87.1 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 173.4 | 167.9 | 159.6 | -177.9 | 93.2 | 3.7 | 111.4 | E105 L298 M302 D303 E305 L309 N310 V311 A328 | E105-R307 IonicContact OE1-CZ 3.16Å; E105-R307 VanDerWaalsContact OE1-CZ 3.28Å; E105-R307 IonicContact OE1-NE 2.68Å; E105-R307 PolarHBondContact OE1-NE 2.82Å; E105-R307 IonicContact OE1-NH2 2.67Å; E105-R307 PolarHBondContact OE1-NH2 2.94Å; E105-R307 VanDerWaalsContact OE1-NH2 3.09Å; L298-R307 HydrophobicContact CD1-CB 3.85Å; L298-R307 HydrophobicContact CD1-CG 3.51Å; L298-R307 VanDerWaalsContact CD2-NH1 3.27Å; M302-R307 HydrophobicContact CB-CB 4.42Å; D303-R307 VanDerWaalsContact O-CB 3.22Å; D303-R307 WeakPolarHBondContact O-CB 3.44Å; D303-R307 PolarHBondContact O-N 3.18Å; E305-R307 VanDerWaalsContact C-N 3.32Å; E305-R307 PolarHBondContact O-N 2.94Å; R307-L309 PolarHBondContact O-N 2.79Å; R307-N310 PolarHBondContact O-N 3.04Å; R307-V311 WeakPolarHBondContact O-CB 3.44Å; R307-V311 VanDerWaalsContact O-CG2 3.23Å; R307-V311 WeakPolarHBondContact O-CG2 3.39Å; R307-V311 PolarHBondContact O-N 3.14Å; R307-V311 VanDerWaalsContact O-N 3.08Å; R307-A328 VanDerWaalsContact CZ-O 3.28Å; R307-A328 PolarHBondContact NH1-O 3.38Å; R307-A328 PolarHBondContact NH2-O 3.37Å |
| 308 | R | 84.4 | Confident | 86.8 | Confident | 158 Ų | 158 | 64.1 Ų | 64.1 | 60% | 0.596 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.4 | -43.2 | 176.1 | -174.6 | 179.1 | 70.2 | 159.2 | 0.1 | 111.7 | A304 E305 N312 | A304-R308 WeakPolarHBondContact O-CB 3.3Å; A304-R308 PolarHBondContact O-N 3.32Å; E305-R308 WeakPolarHBondContact O-CB 3.2Å; E305-R308 PolarHBondContact O-N 2.98Å; R308-N312 WeakPolarHBondContact O-CB 3.47Å; R308-N312 PolarHBondContact O-N 2.7Å; R308-N312 PolarHBondContact O-ND2 2.86Å |
| 309 | L | 90.3 | Very high | 86.8 | Confident | 87 Ų | 87 | 64.3 Ų | 64.3 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 179.4 | -175.7 | 69.1 | 0 | 0 | 0 | 111.4 | E305 A306 R307 V311 N312 K313 | E305-L309 WeakPolarHBondContact O-CB 3.45Å; E305-L309 PolarHBondContact O-N 3.03Å; A306-L309 PolarHBondContact O-N 3.13Å; R307-L309 PolarHBondContact O-N 2.79Å; L309-V311 PolarHBondContact O-N 3.21Å; L309-N312 PolarHBondContact O-N 3.44Å; L309-K313 WeakPolarHBondContact O-CG 3.46Å; L309-K313 PolarHBondContact O-N 3.01Å |
| 310 | N | 91.9 | Very high | 86.9 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 9% | 0.086 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.7 | -41.1 | -179.3 | -77.4 | 0.6 | 0 | 0 | 0 | 112.6 | T296 Y297 M302 A306 R307 N312 K313 F314 | T296-N310 WeakPolarHBondContact CG2-O 3.33Å; T296-N310 VanDerWaalsContact OG1-CB 3.29Å; T296-N310 WeakPolarHBondContact OG1-CB 3.43Å; T296-N310 PolarHBondContact OG1-OD1 3.4Å; Y297-N310 PolarHBondContact O-ND2 3.26Å; M302-N310 WeakPolarHBondContact CE-ND2 3.46Å; A306-N310 PolarHBondContact O-N 2.69Å; R307-N310 PolarHBondContact O-N 3.04Å; N310-N312 VanDerWaalsContact C-N 3.3Å; N310-N312 PolarHBondContact O-N 2.84Å; N310-K313 PolarHBondContact O-N 3.43Å; N310-F314 PolarHBondContact O-N 3.34Å; N310-F314 VanDerWaalsContact O-N 3.13Å |
| 311 | V | 89.3 | Confident | 87.5 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 111 | L298 R307 L309 F314 R315 V332 | L298-V311 HydrophobicContact CD1-CG2 4.3Å; L298-V311 HydrophobicContact CD2-CG2 3.89Å; R307-V311 WeakPolarHBondContact O-CB 3.44Å; R307-V311 VanDerWaalsContact O-CG2 3.23Å; R307-V311 WeakPolarHBondContact O-CG2 3.39Å; R307-V311 PolarHBondContact O-N 3.14Å; R307-V311 VanDerWaalsContact O-N 3.08Å; L309-V311 PolarHBondContact O-N 3.21Å; V311-F314 PolarHBondContact O-N 2.94Å; V311-R315 WeakPolarHBondContact O-CB 3.06Å; V311-R315 PolarHBondContact O-N 3.36Å; V311-V332 HydrophobicContact CB-CG1 4.21Å; V311-V332 HydrophobicContact CG1-CG1 3.58Å; V311-V332 HydrophobicContact CG2-CG1 3.49Å; V311-V332 VanDerWaalsContact CG2-CG1 3.49Å |
| 312 | N | 89.2 | Confident | 88.1 | Confident | 50 Ų | 50 | 58 Ų | 58 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 177.6 | -75.9 | -20.6 | 0 | 0 | 0 | 112.7 | R308 L309 N310 F314 R315 R316 | R308-N312 WeakPolarHBondContact O-CB 3.47Å; R308-N312 PolarHBondContact O-N 2.7Å; R308-N312 PolarHBondContact O-ND2 2.86Å; L309-N312 PolarHBondContact O-N 3.44Å; N310-N312 VanDerWaalsContact C-N 3.3Å; N310-N312 PolarHBondContact O-N 2.84Å; N312-F314 VanDerWaalsContact C-N 3.29Å; N312-F314 PolarHBondContact O-N 3.33Å; N312-R315 PolarHBondContact O-N 2.87Å; N312-R316 WeakPolarHBondContact O-CG 3.23Å; N312-R316 PolarHBondContact O-N 3.26Å |
| 313 | K | 92.1 | Very high | 88.8 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.8 | -44.6 | 172.9 | -71.2 | -179.4 | 175.8 | 179.5 | 0 | 111.2 | L309 N310 G317 E318 A319 | L309-K313 WeakPolarHBondContact O-CG 3.46Å; L309-K313 PolarHBondContact O-N 3.01Å; N310-K313 PolarHBondContact O-N 3.43Å; K313-G317 PolarHBondContact O-N 3.42Å; K313-E318 HydrophobicContact CB-CB 4.47Å; K313-E318 WeakPolarHBondContact CG-OE2 3.49Å; K313-E318 WeakPolarHBondContact O-CB 3.22Å; K313-E318 PolarHBondContact O-N 3.13Å; K313-A319 PolarHBondContact O-N 2.94Å; K313-A319 VanDerWaalsContact O-N 3.17Å |
| 314 | F | 91.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67 | -44.1 | 176.4 | -176.2 | -110.4 | 0 | 0 | 0 | 112.5 | L270 T296 N310 V311 N312 R316 G317 A319 L322 I334 P335 L337 | L270-F314 HydrophobicContact CB-CE1 4.41Å; L270-F314 HydrophobicContact CB-CE2 4.12Å; L270-F314 HydrophobicContact CB-CZ 3.73Å; L270-F314 HydrophobicContact CD1-CE1 4.24Å; L270-F314 HydrophobicContact CD1-CZ 4.3Å; L270-F314 HydrophobicContact CD2-CD2 4.39Å; L270-F314 HydrophobicContact CD2-CE2 4.06Å; L270-F314 HydrophobicContact CD2-CZ 4.36Å; L270-F314 HydrophobicContact CG-CZ 4.35Å; T296-F314 HydrophobicContact CG2-CB 3.94Å; N310-F314 PolarHBondContact O-N 3.34Å; N310-F314 VanDerWaalsContact O-N 3.13Å; V311-F314 PolarHBondContact O-N 2.94Å; N312-F314 VanDerWaalsContact C-N 3.29Å; N312-F314 PolarHBondContact O-N 3.33Å; F314-R316 PolarHBondContact O-N 3.29Å; F314-G317 PolarHBondContact O-N 3.31Å; F314-A319 VanDerWaalsContact CD2-O 3.24Å; F314-A319 WeakPolarHBondContact CD2-O 3.2Å; F314-L322 HydrophobicContact CB-CB 4.41Å; F314-L322 HydrophobicContact CB-CD2 4.48Å; F314-L322 HydrophobicContact CD1-CB 4.04Å; F314-L322 HydrophobicContact CD1-CD2 3.75Å; F314-L322 HydrophobicContact CD1-CG 4.45Å; F314-L322 HydrophobicContact CD2-CB 3.44Å; F314-L322 VanDerWaalsContact CD2-CB 3.44Å; F314-L322 HydrophobicContact CD2-CG 4.49Å; F314-L322 HydrophobicContact CE1-CB 4.07Å; F314-L322 HydrophobicContact CE1-CD2 4.04Å; F314-L322 HydrophobicContact CE2-CB 3.46Å; F314-L322 VanDerWaalsContact CE2-CB 3.46Å; F314-L322 HydrophobicContact CG-CB 3.7Å; F314-L322 HydrophobicContact CG-CD2 4.05Å; F314-L322 HydrophobicContact CG-CG 4.32Å; F314-L322 HydrophobicContact CZ-CB 3.76Å; F314-I334 HydrophobicContact CD1-CG2 4.41Å; F314-I334 HydrophobicContact CE1-CG2 3.79Å; F314-P335 HydrophobicContact CD1-CG 4.38Å; F314-P335 HydrophobicContact CE1-CG 4.22Å; F314-L337 HydrophobicContact CE1-CD2 3.67Å; F314-L337 HydrophobicContact CZ-CD2 3.54Å |
| 315 | R | 88.5 | Confident | 90 | Very high | 142 Ų | 142 | 50.6 Ų | 50.6 | 54% | 0.536 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.3 | -36.8 | -179.6 | -179.8 | 179.8 | 152.1 | -160.2 | -9 | 113.2 | V311 N312 G317 | V311-R315 WeakPolarHBondContact O-CB 3.06Å; V311-R315 PolarHBondContact O-N 3.36Å; N312-R315 PolarHBondContact O-N 2.87Å; R315-G317 PolarHBondContact O-N 3.34Å |
| 316 | R | 88.1 | Confident | 90 | Very high | 142 Ų | 142 | 45.5 Ų | 45.5 | 54% | 0.536 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -3.9 | 174.3 | -67.9 | -168.8 | -57.4 | -100.4 | -3.8 | 113 | N312 F314 E318 | N312-R316 WeakPolarHBondContact O-CG 3.23Å; N312-R316 PolarHBondContact O-N 3.26Å; F314-R316 PolarHBondContact O-N 3.29Å; R316-E318 HydrophobicContact CB-CG 4.18Å; R316-E318 IonicContact CZ-OE1 2.83Å; R316-E318 IonicContact CZ-OE2 3.09Å; R316-E318 IonicContact NE-OE1 2.64Å; R316-E318 PolarHBondContact NE-OE1 3.17Å; R316-E318 IonicContact NE-OE2 3.67Å; R316-E318 IonicContact NH2-OE1 3.67Å; R316-E318 PolarHBondContact NH2-OE1 2.86Å; R316-E318 IonicContact NH2-OE2 3.55Å; R316-E318 PolarHBondContact NH2-OE2 3.35Å; R316-E318 PolarHBondContact O-N 2.87Å |
| 317 | G | 87.5 | Confident | 89.3 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 19% | 0.186 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 10.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K313 F314 R315 A319 K320 | K313-G317 PolarHBondContact O-N 3.42Å; F314-G317 PolarHBondContact O-N 3.31Å; R315-G317 PolarHBondContact O-N 3.34Å; G317-A319 VanDerWaalsContact C-N 3.29Å; G317-K320 WeakPolarHBondContact O-CE 3.34Å |
| 318 | E | 89.8 | Confident | 88.5 | Confident | 96 Ų | 96 | 46.9 Ų | 46.9 | 45% | 0.449 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -64.2 | -39.3 | 172.6 | -65.5 | 171.6 | -169.4 | 0 | 0 | 110.5 | K313 R316 | K313-E318 HydrophobicContact CB-CB 4.47Å; K313-E318 WeakPolarHBondContact CG-OE2 3.49Å; K313-E318 WeakPolarHBondContact O-CB 3.22Å; K313-E318 PolarHBondContact O-N 3.13Å; R316-E318 HydrophobicContact CB-CG 4.18Å; R316-E318 IonicContact CZ-OE1 2.83Å; R316-E318 IonicContact CZ-OE2 3.09Å; R316-E318 IonicContact NE-OE1 2.64Å; R316-E318 PolarHBondContact NE-OE1 3.17Å; R316-E318 IonicContact NE-OE2 3.67Å; R316-E318 IonicContact NH2-OE1 3.67Å; R316-E318 PolarHBondContact NH2-OE1 2.86Å; R316-E318 IonicContact NH2-OE2 3.55Å; R316-E318 PolarHBondContact NH2-OE2 3.35Å; R316-E318 PolarHBondContact O-N 2.87Å |
| 319 | A | 91.5 | Very high | 87.8 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | trans | -106.5 | 125.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | K294 T296 K313 F314 G317 | K294-A319 CarbonylContact O-C 3.55Å; K294-A319 WeakPolarHBondContact O-CA 3.38Å; T296-A319 HydrophobicContact CG2-CB 3.76Å; K313-A319 PolarHBondContact O-N 2.94Å; K313-A319 VanDerWaalsContact O-N 3.17Å; F314-A319 VanDerWaalsContact CD2-O 3.24Å; F314-A319 WeakPolarHBondContact CD2-O 3.2Å; G317-A319 VanDerWaalsContact C-N 3.29Å | ||
| 320 | K | 91.1 | Very high | 86.7 | Confident | 49 Ų | 49 | 38 Ų | 38 | 21% | 0.213 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -87.5 | -21.7 | 178.3 | -60.3 | -65 | 177.6 | 176.5 | 0 | 112.6 | I265 E267 L270 T271 K294 G317 | I265-K320 HydrophobicContact CG2-CB 4.04Å; I265-K320 HydrophobicContact CG2-CG 4.44Å; E267-K320 WeakPolarHBondContact O-CE 3.48Å; E267-K320 PolarHBondContact O-NZ 3.08Å; L270-K320 HydrophobicContact CD2-CD 4.35Å; T271-K320 PolarHBondContact N-O 2.93Å; K294-K320 PolarHBondContact O-N 3.43Å; G317-K320 WeakPolarHBondContact O-CE 3.34Å |
| 321 | I | 93.8 | Very high | 85.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.6 | 178.3 | -59.5 | 171.7 | 0 | 0 | 0 | 109.5 | L259 I265 T271 I273 L288 F293 K294 C295 T296 V323 | L259-I321 HydrophobicContact CD1-CD1 3.91Å; L259-I321 HydrophobicContact CD2-CD1 4.06Å; I265-I321 HydrophobicContact CD1-CD1 3.75Å; I265-I321 HydrophobicContact CD1-CG1 4.17Å; T271-I321 WeakPolarHBondContact O-CA 3.21Å; I273-I321 HydrophobicContact CD1-CG2 3.43Å; I273-I321 VanDerWaalsContact CD1-CG2 3.43Å; I273-I321 HydrophobicContact CG1-CG2 3.98Å; L288-I321 HydrophobicContact CD1-CD1 4.48Å; L288-I321 HydrophobicContact CD1-CG2 4.16Å; F293-I321 HydrophobicContact CB-CD1 4.01Å; F293-I321 HydrophobicContact CD1-CD1 4.11Å; F293-I321 HydrophobicContact CG-CD1 4.22Å; K294-I321 PolarHBondContact O-N 3.5Å; K294-I321 VanDerWaalsContact O-N 3.14Å; C295-I321 CarbonylContact C-O 3.48Å; C295-I321 VanDerWaalsContact CA-O 3.24Å; C295-I321 WeakPolarHBondContact CA-O 3.28Å; C295-I321 HydrophobicContact CB-CB 3.85Å; C295-I321 HydrophobicContact CB-CG2 4.13Å; T296-I321 PolarHBondContact N-O 3.44Å; I321-V323 HydrophobicContact CG2-CG2 4.07Å |
| 322 | L | 94.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117.8 | 168.9 | 178 | 64.8 | 0 | 0 | 0 | 109.4 | T271 L272 I273 T296 L298 F314 V324 I334 | T271-L322 PolarHBondContact O-N 3.47Å; L272-L322 WeakPolarHBondContact CA-O 3.39Å; L272-L322 HydrophobicContact CD1-CB 3.85Å; L272-L322 HydrophobicContact CD1-CD2 3.66Å; L272-L322 HydrophobicContact CD1-CG 3.76Å; L272-L322 WeakPolarHBondContact CD1-O 3.45Å; I273-L322 PolarHBondContact N-O 3.5Å; T296-L322 HydrophobicContact CG2-CB 4.5Å; T296-L322 HydrophobicContact CG2-CD1 3.48Å; T296-L322 VanDerWaalsContact CG2-CD1 3.48Å; T296-L322 WeakPolarHBondContact O-CA 3.28Å; L298-L322 HydrophobicContact CB-CD1 4.25Å; F314-L322 HydrophobicContact CB-CB 4.41Å; F314-L322 HydrophobicContact CB-CD2 4.48Å; F314-L322 HydrophobicContact CD1-CB 4.04Å; F314-L322 HydrophobicContact CD1-CD2 3.75Å; F314-L322 HydrophobicContact CD1-CG 4.45Å; F314-L322 HydrophobicContact CD2-CB 3.44Å; F314-L322 VanDerWaalsContact CD2-CB 3.44Å; F314-L322 HydrophobicContact CD2-CG 4.49Å; F314-L322 HydrophobicContact CE1-CB 4.07Å; F314-L322 HydrophobicContact CE1-CD2 4.04Å; F314-L322 HydrophobicContact CE2-CB 3.46Å; F314-L322 VanDerWaalsContact CE2-CB 3.46Å; F314-L322 HydrophobicContact CG-CB 3.7Å; F314-L322 HydrophobicContact CG-CD2 4.05Å; F314-L322 HydrophobicContact CG-CG 4.32Å; F314-L322 HydrophobicContact CZ-CB 3.76Å; L322-V324 HydrophobicContact CD1-CG1 4.01Å; L322-V324 HydrophobicContact CD2-CG1 3.8Å; L322-V324 HydrophobicContact CG-CG1 3.45Å; L322-V324 VanDerWaalsContact CG-CG1 3.45Å; L322-I334 HydrophobicContact CD2-CD1 4.33Å |
| 323 | V | 95.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 120 | 177 | -169.8 | 0 | 0 | 0 | 0 | 109.3 | I273 V281 L284 L288 T296 Y297 L298 I321 | I273-V323 HydrophobicContact CB-CG2 4.42Å; I273-V323 HydrophobicContact CD1-CG2 4.38Å; I273-V323 CarbonylContact O-C 3.58Å; I273-V323 WeakPolarHBondContact O-CA 3.23Å; V281-V323 HydrophobicContact CB-CG1 4.33Å; V281-V323 HydrophobicContact CG1-CB 4.36Å; V281-V323 HydrophobicContact CG1-CG1 4.12Å; V281-V323 HydrophobicContact CG2-CG1 4.21Å; L284-V323 HydrophobicContact CB-CG1 4.28Å; L284-V323 HydrophobicContact CD1-CG1 4.33Å; L288-V323 HydrophobicContact CD1-CG2 3.9Å; T296-V323 PolarHBondContact O-N 3.49Å; Y297-V323 CarbonylContact C-O 3.42Å; Y297-V323 WeakPolarHBondContact CA-O 3.49Å; L298-V323 PolarHBondContact N-O 3.4Å; I321-V323 HydrophobicContact CG2-CG2 4.07Å |
| 324 | V | 93.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 153.7 | -170.4 | -51.8 | 0 | 0 | 0 | 0 | 113.9 | L272 I273 F274 C275 L298 L322 | L272-V324 HydrophobicContact CD1-CB 4.43Å; L272-V324 HydrophobicContact CD1-CG1 3.66Å; L272-V324 HydrophobicContact CD1-CG2 3.8Å; L272-V324 HydrophobicContact CG-CG2 4.18Å; I273-V324 PolarHBondContact O-N 2.85Å; F274-V324 WeakPolarHBondContact CA-O 3.44Å; F274-V324 HydrophobicContact CD1-CG2 3.51Å; F274-V324 HydrophobicContact CE1-CG2 3.5Å; F274-V324 HydrophobicContact CG-CG2 4.14Å; F274-V324 HydrophobicContact CZ-CG2 4.14Å; C275-V324 PolarHBondContact N-O 2.79Å; L298-V324 HydrophobicContact CB-CB 4.46Å; L298-V324 HydrophobicContact CB-CG1 3.86Å; L298-V324 VanDerWaalsContact O-CA 3.29Å; L298-V324 WeakPolarHBondContact O-CA 3.22Å; L322-V324 HydrophobicContact CD1-CG1 4.01Å; L322-V324 HydrophobicContact CD2-CG1 3.8Å; L322-V324 HydrophobicContact CG-CG1 3.45Å; L322-V324 VanDerWaalsContact CG-CG1 3.45Å |
| 325 | T | 91.1 | Very high | 81.5 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 7% | 0.067 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 156.7 | 158.2 | 67.1 | 0 | 0 | 0 | 0 | 111.6 | C275 V281 L298 L327 A328 S329 | C275-T325 WeakPolarHBondContact O-CA 3.27Å; V281-T325 HydrophobicContact CG2-CG2 3.61Å; L298-T325 PolarHBondContact O-N 2.74Å; L298-T325 VanDerWaalsContact O-N 3.13Å; T325-L327 VanDerWaalsContact C-N 3.34Å; T325-L327 PolarHBondContact O-N 2.81Å; T325-A328 PolarHBondContact O-N 2.85Å; T325-A328 VanDerWaalsContact O-N 3.14Å; T325-A328 VanDerWaalsContact OG1-CB 3.23Å; T325-A328 WeakPolarHBondContact OG1-CB 3.38Å; T325-A328 PolarHBondContact OG1-N 2.94Å; T325-S329 PolarHBondContact O-N 2.88Å |
| 326 | D | 83.4 | Confident | 81 | Confident | 24 Ų | 24 | 36.6 Ų | 36.6 | 13% | 0.128 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -52 | -51.9 | 176.6 | -74.5 | -66.5 | 0 | 0 | 0 | 112.9 | A328 S329 R330 L351 R355 | D326-A328 PolarHBondContact O-N 3.33Å; D326-S329 PolarHBondContact O-N 3.09Å; D326-S329 PolarHBondContact O-OG 3.37Å; D326-R330 WeakPolarHBondContact O-CG 3.21Å; D326-L351 HydrophobicContact CB-CD1 4.11Å; D326-L351 HydrophobicContact CB-CD2 4.41Å; D326-L351 WeakPolarHBondContact OD1-CD1 3.43Å; D326-L351 WeakPolarHBondContact OD1-CG 3.42Å; D326-R355 IonicContact OD1-CZ 3.51Å; D326-R355 IonicContact OD1-NE 2.78Å; D326-R355 PolarHBondContact OD1-NE 3.48Å; D326-R355 IonicContact OD1-NH2 2.64Å; D326-R355 PolarHBondContact OD1-NH2 2.78Å; D326-R355 IonicContact OD2-CZ 2.78Å; D326-R355 IonicContact OD2-NE 3.65Å; D326-R355 IonicContact OD2-NH2 3.11Å; D326-R355 PolarHBondContact OD2-NH2 3.05Å |
| 327 | L | 70.8 | Confident | 80.9 | Confident | 86 Ų | 86 | 30.2 Ų | 30.2 | 45% | 0.45 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59 | -39 | -178.2 | -178.3 | 59.5 | 0 | 0 | 0 | 110.9 | T325 | T325-L327 VanDerWaalsContact C-N 3.34Å; T325-L327 PolarHBondContact O-N 2.81Å |
| 328 | A | 70.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -78.1 | -25.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L298 Y299 R307 T325 D326 R330 V332 | L298-A328 HydrophobicContact CD2-CB 4.44Å; L298-A328 WeakPolarHBondContact CD2-O 3.41Å; L298-A328 HydrophobicContact CG-CB 4.09Å; L298-A328 WeakPolarHBondContact O-CB 3.24Å; Y299-A328 VanDerWaalsContact C-CB 3.41Å; R307-A328 VanDerWaalsContact CZ-O 3.28Å; R307-A328 PolarHBondContact NH1-O 3.38Å; R307-A328 PolarHBondContact NH2-O 3.37Å; T325-A328 PolarHBondContact O-N 2.85Å; T325-A328 VanDerWaalsContact O-N 3.14Å; T325-A328 VanDerWaalsContact OG1-CB 3.23Å; T325-A328 WeakPolarHBondContact OG1-CB 3.38Å; T325-A328 PolarHBondContact OG1-N 2.94Å; D326-A328 PolarHBondContact O-N 3.33Å; A328-R330 VanDerWaalsContact C-N 3.27Å; A328-R330 PolarHBondContact O-N 3.09Å; A328-V332 WeakPolarHBondContact O-CG2 3.21Å |
| 329 | S | 68.7 | Low | 81 | Confident | 11 Ų | 11 | 28 Ų | 28 | 8% | 0.077 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -75.9 | -12.6 | 176.4 | 75 | 0 | 0 | 0 | 0 | 114.2 | F274 T325 D326 R358 | F274-S329 WeakPolarHBondContact CE1-OG 3.41Å; T325-S329 PolarHBondContact O-N 2.88Å; D326-S329 PolarHBondContact O-N 3.09Å; D326-S329 PolarHBondContact O-OG 3.37Å; S329-R358 PolarHBondContact O-NH2 2.97Å |
| 330 | R | 68.5 | Low | 81 | Confident | 47 Ų | 47 | 27.7 Ų | 27.7 | 18% | 0.177 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -77.5 | 139.8 | -177.9 | -69 | 177.5 | -174.5 | -178.4 | 0.4 | 111.1 | D326 A328 V332 | D326-R330 WeakPolarHBondContact O-CG 3.21Å; A328-R330 VanDerWaalsContact C-N 3.27Å; A328-R330 PolarHBondContact O-N 3.09Å; R330-V332 PolarHBondContact O-N 2.83Å |
| 331 | G | 59.5 | Low | 81.1 | Confident | 10 Ų | 10 | 25.4 Ų | 25.4 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 63.6 | -7.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | E105 D333 | E105-G331 CarbonylContact C-O 3.56Å; E105-G331 WeakPolarHBondContact CB-O 3.38Å; G331-D333 PolarHBondContact O-N 3.42Å |
| 332 | V | 66.9 | Low | 81.2 | Confident | 9 Ų | 9 | 25.3 Ų | 25.3 | 6% | 0.055 | 13% | 0.129 | C | C | . | . | trans | -70.9 | 127.6 | 171.9 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | L298 V311 A328 R330 I334 | L298-V332 HydrophobicContact CD2-CG1 4.47Å; L298-V332 HydrophobicContact CD2-CG2 3.75Å; V311-V332 HydrophobicContact CB-CG1 4.21Å; V311-V332 HydrophobicContact CG1-CG1 3.58Å; V311-V332 HydrophobicContact CG2-CG1 3.49Å; V311-V332 VanDerWaalsContact CG2-CG1 3.49Å; A328-V332 WeakPolarHBondContact O-CG2 3.21Å; R330-V332 PolarHBondContact O-N 2.83Å; V332-I334 HydrophobicContact CB-CD1 4.38Å; V332-I334 HydrophobicContact CB-CG1 3.93Å; V332-I334 HydrophobicContact CG1-CD1 4.43Å; V332-I334 HydrophobicContact CG1-CG1 3.66Å; V332-I334 PolarHBondContact O-N 2.86Å | ||
| 333 | D | 68 | Low | 81.2 | Confident | 72 Ų | 72 | 25.5 Ų | 25.5 | 39% | 0.385 | 13% | 0.13 | S | C | . | . | trans | -72 | 76.6 | 171.4 | -170.5 | 21.4 | 0 | 0 | 0 | 109.4 | K112 G331 | K112-D333 IonicContact NZ-OD2 2.66Å; G331-D333 PolarHBondContact O-N 3.42Å | ||
| 334 | I | 76.3 | Confident | 81.1 | Confident | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.062 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -82.2 | 128.5 | 175.6 | -56.6 | 178.9 | 0 | 0 | 0 | 107.5 | L272 F314 L322 V332 L337 | L272-I334 HydrophobicContact CD1-CD1 4.3Å; L272-I334 HydrophobicContact CD2-CD1 4.16Å; F314-I334 HydrophobicContact CD1-CG2 4.41Å; F314-I334 HydrophobicContact CE1-CG2 3.79Å; L322-I334 HydrophobicContact CD2-CD1 4.33Å; V332-I334 HydrophobicContact CB-CD1 4.38Å; V332-I334 HydrophobicContact CB-CG1 3.93Å; V332-I334 HydrophobicContact CG1-CD1 4.43Å; V332-I334 HydrophobicContact CG1-CG1 3.66Å; V332-I334 PolarHBondContact O-N 2.86Å; I334-L337 HydrophobicContact CG2-CD1 4.18Å; I334-L337 HydrophobicContact CG2-CD2 4Å; I334-L337 HydrophobicContact CG2-CG 4.22Å |
| 335 | P | 74.2 | Confident | 81.1 | Confident | 38 Ų | 38 | 25.8 Ų | 25.8 | 25% | 0.247 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 166.5 | 176.2 | 28.1 | -36.8 | 0 | 0 | 0 | 111.5 | L270 F314 L337 | L270-P335 HydrophobicContact CD1-CB 4.25Å; L270-P335 HydrophobicContact CD1-CG 3.48Å; L270-P335 VanDerWaalsContact CD1-CG 3.48Å; F314-P335 HydrophobicContact CD1-CG 4.38Å; F314-P335 HydrophobicContact CE1-CG 4.22Å; P335-L337 WeakPolarHBondContact O-CG 3.46Å; P335-L337 PolarHBondContact O-N 3.12Å |
| 336 | F | 78.1 | Confident | 81 | Confident | 136 Ų | 136 | 25.3 Ų | 25.3 | 60% | 0.596 | 13% | 0.128 | S | C | * | . | P | Polyproline II helix | trans | -60 | 131.6 | 174 | -58.5 | -58.4 | 0 | 0 | 0 | 110.3 | R361 | F336-R361 HydrophobicContact CD1-CB 3.62Å; F336-R361 HydrophobicContact CD1-CG 4.19Å; F336-R361 HydrophobicContact CE1-CB 3.53Å; F336-R361 HydrophobicContact CE1-CG 4.14Å |
| 337 | L | 85.7 | Confident | 81.2 | Confident | 9 Ų | 9 | 25.3 Ų | 25.3 | 5% | 0.047 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -104.8 | 151 | -176.1 | -57.2 | 173.1 | 0 | 0 | 0 | 109.7 | L270 L272 F314 I334 P335 V340 R358 V359 | L270-L337 HydrophobicContact CB-CD2 3.7Å; L272-L337 HydrophobicContact CB-CD1 3.35Å; L272-L337 HydrophobicContact CD2-CD1 3.62Å; L272-L337 HydrophobicContact CG-CD1 4.08Å; F314-L337 HydrophobicContact CE1-CD2 3.67Å; F314-L337 HydrophobicContact CZ-CD2 3.54Å; I334-L337 HydrophobicContact CG2-CD1 4.18Å; I334-L337 HydrophobicContact CG2-CD2 4Å; I334-L337 HydrophobicContact CG2-CG 4.22Å; P335-L337 WeakPolarHBondContact O-CG 3.46Å; P335-L337 PolarHBondContact O-N 3.12Å; L337-V340 HydrophobicContact CD1-CG2 3.85Å; L337-R358 HydrophobicContact CD1-CB 3.99Å; L337-V359 HydrophobicContact CB-CG1 3.76Å; L337-V359 WeakPolarHBondContact O-CG1 3.37Å |
| 338 | H | 87.8 | Confident | 81.8 | Confident | 66 Ų | 66 | 26.7 Ų | 26.7 | 31% | 0.306 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -84.8 | -43.8 | 167.5 | -177.1 | -96 | 0 | 0 | 0 | 110.6 | T269 L270 G366 Q367 | T269-H338 HydrophobicContact CG2-CB 3.94Å; L270-H338 PolarHBondContact O-N 3.38Å; H338-G366 WeakPolarHBondContact O-CA 3.21Å; H338-Q367 PolarHBondContact O-N 3.44Å |
| 339 | T | 90.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.7 | -172.5 | -50.7 | 0 | 0 | 0 | 0 | 112 | I264 L270 T271 L272 I341 Q367 I369 | I264-T339 HydrophobicContact CG2-CG2 3.68Å; L270-T339 PolarHBondContact O-N 2.89Å; T271-T339 WeakPolarHBondContact CA-O 3.4Å; T271-T339 HydrophobicContact CG2-CG2 4.3Å; L272-T339 PolarHBondContact N-O 3.3Å; L272-T339 VanDerWaalsContact N-O 3.07Å; T339-I341 HydrophobicContact CG2-CD1 4.49Å; T339-I341 HydrophobicContact CG2-CG1 3.96Å; T339-Q367 WeakPolarHBondContact CA-O 3.32Å; T339-Q367 HydrophobicContact CG2-CG 3.91Å; T339-Q367 PolarHBondContact OG1-NE2 2.92Å; T339-I369 HydrophobicContact CG2-CD1 4.34Å |
| 340 | V | 91.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.9 | 166.2 | 165.4 | 0 | 0 | 0 | 0 | 108.9 | L272 F274 L337 V356 V359 Q367 A368 I369 | L272-V340 HydrophobicContact CB-CG2 4.25Å; L272-V340 CarbonylContact O-C 3.52Å; L272-V340 WeakPolarHBondContact O-CA 3.45Å; F274-V340 HydrophobicContact CD2-CG1 3.81Å; F274-V340 HydrophobicContact CE2-CG1 3.76Å; L337-V340 HydrophobicContact CD1-CG2 3.85Å; V340-V356 HydrophobicContact CG1-CG1 4.43Å; V340-V359 HydrophobicContact CB-CG1 4.17Å; V340-V359 HydrophobicContact CG2-CG1 3.52Å; V340-V359 HydrophobicContact CG2-CG2 4.47Å; V340-Q367 PolarHBondContact N-O 3.37Å; V340-A368 CarbonylContact O-C 3.48Å; V340-A368 VanDerWaalsContact O-CA 3.29Å; V340-A368 WeakPolarHBondContact O-CA 3.41Å; V340-I369 PolarHBondContact O-N 2.62Å |
| 341 | I | 94.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.5 | 176.6 | -54.3 | -179.4 | 0 | 0 | 0 | 109.3 | L255 L259 T271 L272 I273 F274 T339 Y343 I369 I371 | L255-I341 HydrophobicContact CD1-CD1 4.03Å; L255-I341 HydrophobicContact CD1-CG2 3.97Å; L259-I341 HydrophobicContact CD2-CD1 4Å; T271-I341 HydrophobicContact CG2-CD1 3.88Å; T271-I341 HydrophobicContact CG2-CG1 4.1Å; L272-I341 PolarHBondContact O-N 3.24Å; I273-I341 CarbonylContact C-O 3.49Å; I273-I341 WeakPolarHBondContact CA-O 3.46Å; I273-I341 HydrophobicContact CG1-CB 4.24Å; I273-I341 HydrophobicContact CG1-CD1 4.45Å; F274-I341 PolarHBondContact N-O 3.47Å; T339-I341 HydrophobicContact CG2-CD1 4.49Å; T339-I341 HydrophobicContact CG2-CG1 3.96Å; I341-Y343 PolarHBondContact O-N 3.44Å; I341-I369 CarbonylContact C-O 3.58Å; I341-I369 VanDerWaalsContact CA-O 3.27Å; I341-I369 WeakPolarHBondContact CA-O 3.32Å; I341-I371 HydrophobicContact CG2-CD1 4.3Å; I341-I371 HydrophobicContact CG2-CG1 4.5Å |
| 342 | N | 95.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 95.8 | 167.7 | -62 | -60.7 | 0 | 0 | 0 | 108.7 | F352 R355 I369 S370 I371 | N342-F352 WeakPolarHBondContact ND2-CE2 3.5Å; N342-R355 WeakPolarHBondContact OD1-CD 3.07Å; N342-R355 PolarHBondContact OD1-NH1 2.98Å; N342-I369 PolarHBondContact N-O 3.19Å; N342-S370 PolarHBondContact ND2-OG 3.15Å; N342-S370 VanDerWaalsContact ND2-OG 3.08Å; N342-I371 PolarHBondContact O-N 3.34Å |
| 343 | Y | 95.3 | Very high | 85.4 | Confident | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -68.6 | -40.9 | 174.8 | 179.4 | -91.8 | 0 | 0 | 0 | 111.1 | K251 L255 F274 F280 L284 I341 I371 | K251-Y343 HydrophobicContact CB-CE2 3.75Å; K251-Y343 HydrophobicContact CD-CE1 4.5Å; K251-Y343 PolarHBondContact NZ-O 2.97Å; L255-Y343 HydrophobicContact CB-CD2 4.11Å; L255-Y343 HydrophobicContact CB-CE2 4.25Å; L255-Y343 HydrophobicContact CD2-CD2 3.8Å; L255-Y343 HydrophobicContact CD2-CE2 4.16Å; L255-Y343 HydrophobicContact CG-CD2 4.41Å; F274-Y343 WeakPolarHBondContact O-CB 3.37Å; F274-Y343 PolarHBondContact O-N 3.45Å; F274-Y343 VanDerWaalsContact O-N 3.07Å; F280-Y343 HydrophobicContact CD1-CE1 4.15Å; F280-Y343 HydrophobicContact CE1-CE1 4.21Å; L284-Y343 HydrophobicContact CD1-CD1 4.11Å; L284-Y343 HydrophobicContact CD1-CD2 4.1Å; L284-Y343 HydrophobicContact CD1-CE1 4.41Å; L284-Y343 HydrophobicContact CD1-CE2 4.37Å; L284-Y343 HydrophobicContact CD1-CG 3.95Å; L284-Y343 HydrophobicContact CD2-CE2 4.21Å; I341-Y343 PolarHBondContact O-N 3.44Å; Y343-I371 HydrophobicContact CD2-CD1 4.25Å |
| 344 | H | 93.4 | Very high | 86 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -108.9 | 125.2 | 165.3 | -65.3 | 109.2 | 0 | 0 | 0 | 108.9 | F274 A276 F280 R355 E376 Y423 | F274-H344 PolarHBondContact O-N 3.21Å; A276-H344 HydrophobicContact CB-CB 4.01Å; A276-H344 PolarHBondContact N-ND1 3.39Å; F280-H344 AromaticContact CD1-CE1 3.81Å; F280-H344 AromaticContact CD2-CE1 3.61Å; F280-H344 AromaticContact CE2-CE1 3.99Å; F280-H344 AromaticContact CE2-NE2 4Å; F280-H344 AromaticContact CG-CE1 3.51Å; H344-R355 PolarHBondContact O-NH1 3.27Å; H344-E376 IonicContact CD2-OE1 2.83Å; H344-Y423 HydrophobicContact CB-CE2 4.31Å; H344-Y423 AromaticContact CD2-CE1 3.54Å; H344-Y423 AromaticContact CD2-CE2 3.69Å; H344-Y423 AromaticContact CD2-CZ 3.35Å; H344-Y423 AromaticContact CG-CE2 3.98Å; H344-Y423 AromaticContact NE2-CD1 3.92Å; H344-Y423 AromaticContact NE2-CE1 3.92Å |
| 345 | F | 92.4 | Very high | 86.5 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 2% | 0.022 | 14% | 0.139 | C | C | . | . | trans | -65.3 | 135.6 | 178.5 | -161.8 | -91.2 | 0 | 0 | 0 | 111.2 | F352 I372 E376 Y379 L380 L383 | F345-F352 AromaticContact CE2-CD2 3.92Å; F345-F352 HydrophobicContact CE2-CD2 3.92Å; F345-F352 AromaticContact CE2-CE2 3.87Å; F345-F352 HydrophobicContact CE2-CE2 3.87Å; F345-F352 AromaticContact CZ-CD2 3.93Å; F345-F352 HydrophobicContact CZ-CD2 3.93Å; F345-F352 HydrophobicContact CZ-CE2 4.23Å; F345-I372 HydrophobicContact CD2-CD1 3.74Å; F345-I372 HydrophobicContact CD2-CG1 3.82Å; F345-I372 HydrophobicContact CE2-CD1 3.93Å; F345-I372 HydrophobicContact CE2-CG1 4.5Å; F345-I372 HydrophobicContact CG-CG1 4.42Å; F345-E376 HydrophobicContact CB-CB 4.03Å; F345-E376 HydrophobicContact CB-CG 4.38Å; F345-E376 WeakPolarHBondContact CB-OE2 3.39Å; F345-E376 PolarHBondContact N-OE2 2.93Å; F345-E376 VanDerWaalsContact N-OE2 3.11Å; F345-Y379 VanDerWaalsContact CD1-CB 3.46Å; F345-Y379 HydrophobicContact CD1-CD2 4.49Å; F345-Y379 HydrophobicContact CD1-CG 4.45Å; F345-Y379 WeakPolarHBondContact CE1-O 3.43Å; F345-L380 HydrophobicContact CE1-CB 4.41Å; F345-L380 HydrophobicContact CE2-CD1 3.65Å; F345-L380 HydrophobicContact CZ-CB 4.22Å; F345-L380 HydrophobicContact CZ-CD1 3.57Å; F345-L383 HydrophobicContact CE1-CB 4.44Å; F345-L383 HydrophobicContact CE2-CD2 4.41Å; F345-L383 HydrophobicContact CZ-CB 4.17Å; F345-L383 HydrophobicContact CZ-CD2 3.68Å | ||
| 346 | P | 90 | Very high | 87.1 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.013 | 13% | 0.127 | C | C | . | . | trans | -69.2 | 134.4 | 179.6 | 27.4 | -32.7 | 0 | 0 | 0 | 111.3 | K348 L351 F352 | P346-K348 VanDerWaalsContact C-N 3.3Å; P346-K348 PolarHBondContact O-N 2.97Å; P346-L351 HydrophobicContact CB-CB 3.97Å; P346-L351 HydrophobicContact CB-CD2 3.83Å; P346-L351 HydrophobicContact CB-CG 3.93Å; P346-F352 HydrophobicContact CG-CB 3.59Å; P346-F352 HydrophobicContact CG-CD2 3.83Å; P346-F352 HydrophobicContact CG-CG 4.22Å | ||
| 347 | A | 86.7 | Confident | 87.1 | Confident | 24 Ų | 24 | 20.4 Ų | 20.4 | 20% | 0.198 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -69.1 | -23 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y379 P428 | A347-Y379 HydrophobicContact CB-CD1 3.99Å; A347-Y379 HydrophobicContact CB-CD2 4.44Å; A347-Y379 HydrophobicContact CB-CE1 3.57Å; A347-Y379 HydrophobicContact CB-CE2 4.08Å; A347-Y379 HydrophobicContact CB-CG 4.39Å; A347-Y379 WeakPolarHBondContact O-CD1 3.34Å; A347-P428 HydrophobicContact CB-CB 4.45Å; A347-P428 HydrophobicContact CB-CG 3.21Å |
| 348 | K | 83.1 | Confident | 86.7 | Confident | 115 Ų | 115 | 22 Ų | 22 | 50% | 0.5 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -111.5 | 132 | 178.6 | -64.9 | -175.4 | -174.6 | 178.5 | 0 | 109.8 | E182 P346 K350 L351 F352 | E182-K348 IonicContact OE1-NZ 2.74Å; E182-K348 PolarHBondContact OE1-NZ 3.05Å; P346-K348 VanDerWaalsContact C-N 3.3Å; P346-K348 PolarHBondContact O-N 2.97Å; K348-K350 VanDerWaalsContact C-N 3.25Å; K348-K350 PolarHBondContact O-N 3.45Å; K348-L351 HydrophobicContact CB-CB 4.29Å; K348-L351 VanDerWaalsContact O-CB 3.29Å; K348-L351 WeakPolarHBondContact O-CB 3.38Å; K348-L351 PolarHBondContact O-N 3.5Å; K348-F352 PolarHBondContact O-N 2.72Å |
| 349 | P | 83 | Confident | 86.2 | Confident | 23 Ų | 23 | 19 Ų | 19 | 15% | 0.149 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -53.6 | -39.4 | 176.4 | -31.4 | 37.9 | 0 | 0 | 0 | 114.1 | L351 F352 V353 D382 L383 F386 | P349-L351 VanDerWaalsContact C-N 3.27Å; P349-L351 PolarHBondContact O-N 3.48Å; P349-F352 VanDerWaalsContact O-CB 3.26Å; P349-F352 WeakPolarHBondContact O-CB 3.32Å; P349-F352 PolarHBondContact O-N 2.53Å; P349-F352 VanDerWaalsContact O-N 3.15Å; P349-V353 PolarHBondContact O-N 3.06Å; P349-V353 VanDerWaalsContact O-N 3.17Å; P349-D382 HydrophobicContact CG-CB 3.97Å; P349-D382 VanDerWaalsContact CG-O 3.31Å; P349-D382 WeakPolarHBondContact CG-O 3.3Å; P349-L383 HydrophobicContact CB-CB 4.48Å; P349-L383 HydrophobicContact CB-CD1 3.97Å; P349-F386 HydrophobicContact CB-CB 3.51Å; P349-F386 HydrophobicContact CB-CD1 3.57Å; P349-F386 HydrophobicContact CB-CD2 4.24Å; P349-F386 HydrophobicContact CB-CE1 4.37Å; P349-F386 HydrophobicContact CB-CG 3.49Å; P349-F386 VanDerWaalsContact CB-CG 3.49Å; P349-F386 HydrophobicContact CG-CB 3.86Å; P349-F386 HydrophobicContact CG-CG 4.27Å |
| 350 | K | 75.5 | Confident | 85.3 | Confident | 82 Ų | 82 | 19.5 Ų | 19.5 | 36% | 0.357 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -56.1 | -44.9 | 175.6 | -64.5 | -174.4 | -178.5 | -176.2 | 0 | 111.4 | T208 K348 F352 V353 H354 F386 | T208-K350 HydrophobicContact CG2-CD 4.41Å; T208-K350 PolarHBondContact OG1-NZ 3.18Å; K348-K350 VanDerWaalsContact C-N 3.25Å; K348-K350 PolarHBondContact O-N 3.45Å; K350-F352 VanDerWaalsContact C-N 3.29Å; K350-F352 PolarHBondContact O-N 3.29Å; K350-V353 PolarHBondContact O-N 3.23Å; K350-V353 VanDerWaalsContact O-N 3.15Å; K350-H354 PolarHBondContact O-CD2 3.24Å; K350-H354 PolarHBondContact O-N 3.06Å; K350-F386 HydrophobicContact CG-CE2 4.46Å; K350-F386 HydrophobicContact CG-CZ 4.26Å |
| 351 | L | 83 | Confident | 84.2 | Confident | 26 Ų | 26 | 22.7 Ų | 22.7 | 14% | 0.136 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -38.4 | -178.7 | -170.9 | 64.4 | 0 | 0 | 0 | 110.9 | D326 P346 K348 P349 H354 R355 | D326-L351 HydrophobicContact CB-CD1 4.11Å; D326-L351 HydrophobicContact CB-CD2 4.41Å; D326-L351 WeakPolarHBondContact OD1-CD1 3.43Å; D326-L351 WeakPolarHBondContact OD1-CG 3.42Å; P346-L351 HydrophobicContact CB-CB 3.97Å; P346-L351 HydrophobicContact CB-CD2 3.83Å; P346-L351 HydrophobicContact CB-CG 3.93Å; K348-L351 HydrophobicContact CB-CB 4.29Å; K348-L351 VanDerWaalsContact O-CB 3.29Å; K348-L351 WeakPolarHBondContact O-CB 3.38Å; K348-L351 PolarHBondContact O-N 3.5Å; P349-L351 VanDerWaalsContact C-N 3.27Å; P349-L351 PolarHBondContact O-N 3.48Å; L351-H354 WeakPolarHBondContact O-CB 3.35Å; L351-H354 PolarHBondContact O-N 2.89Å; L351-R355 WeakPolarHBondContact O-CG 3.48Å; L351-R355 PolarHBondContact O-N 2.93Å |
| 352 | F | 87.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.4 | -52.9 | 170.4 | -175.2 | -92 | 0 | 0 | 0 | 112 | L235 L241 N342 F345 P346 K348 P349 K350 H354 R355 V356 L383 | L235-F352 HydrophobicContact CD1-CE1 4.03Å; L241-F352 HydrophobicContact CD2-CE1 4.26Å; L241-F352 HydrophobicContact CD2-CZ 4.11Å; N342-F352 WeakPolarHBondContact ND2-CE2 3.5Å; F345-F352 AromaticContact CE2-CD2 3.92Å; F345-F352 HydrophobicContact CE2-CD2 3.92Å; F345-F352 AromaticContact CE2-CE2 3.87Å; F345-F352 HydrophobicContact CE2-CE2 3.87Å; F345-F352 AromaticContact CZ-CD2 3.93Å; F345-F352 HydrophobicContact CZ-CD2 3.93Å; F345-F352 HydrophobicContact CZ-CE2 4.23Å; P346-F352 HydrophobicContact CG-CB 3.59Å; P346-F352 HydrophobicContact CG-CD2 3.83Å; P346-F352 HydrophobicContact CG-CG 4.22Å; K348-F352 PolarHBondContact O-N 2.72Å; P349-F352 VanDerWaalsContact O-CB 3.26Å; P349-F352 WeakPolarHBondContact O-CB 3.32Å; P349-F352 PolarHBondContact O-N 2.53Å; P349-F352 VanDerWaalsContact O-N 3.15Å; K350-F352 VanDerWaalsContact C-N 3.29Å; K350-F352 PolarHBondContact O-N 3.29Å; F352-H354 PolarHBondContact O-N 3.25Å; F352-R355 WeakPolarHBondContact O-CB 3.45Å; F352-R355 PolarHBondContact O-N 3Å; F352-V356 HydrophobicContact CD1-CG1 4.19Å; F352-V356 HydrophobicContact CD1-CG2 3.99Å; F352-V356 HydrophobicContact CD2-CG1 4.38Å; F352-V356 HydrophobicContact CE1-CB 4.43Å; F352-V356 HydrophobicContact CE1-CG1 3.79Å; F352-V356 HydrophobicContact CE1-CG2 3.79Å; F352-V356 HydrophobicContact CE2-CG1 4.01Å; F352-V356 HydrophobicContact CG-CG1 4.46Å; F352-V356 HydrophobicContact CZ-CG1 3.7Å; F352-V356 WeakPolarHBondContact O-CG2 3.31Å; F352-V356 PolarHBondContact O-N 2.83Å; F352-L383 HydrophobicContact CB-CD1 3.91Å; F352-L383 HydrophobicContact CB-CD2 4.32Å; F352-L383 HydrophobicContact CD1-CD1 3.66Å; F352-L383 HydrophobicContact CD1-CD2 3.51Å; F352-L383 HydrophobicContact CD1-CG 4.26Å; F352-L383 HydrophobicContact CD2-CD2 3.8Å; F352-L383 HydrophobicContact CE1-CD1 4.41Å; F352-L383 HydrophobicContact CE1-CD2 3.61Å; F352-L383 HydrophobicContact CE2-CD2 3.89Å; F352-L383 HydrophobicContact CG-CD1 3.92Å; F352-L383 HydrophobicContact CG-CD2 3.61Å; F352-L383 HydrophobicContact CG-CG 4.41Å; F352-L383 HydrophobicContact CZ-CD2 3.79Å |
| 353 | V | 82.6 | Confident | 81.4 | Confident | 16 Ų | 16 | 29.5 Ų | 29.5 | 10% | 0.097 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.6 | -34.3 | 179.4 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | L235 P349 K350 G357 F386 | L235-V353 HydrophobicContact CD2-CG1 4.4Å; L235-V353 HydrophobicContact CD2-CG2 4.17Å; P349-V353 PolarHBondContact O-N 3.06Å; P349-V353 VanDerWaalsContact O-N 3.17Å; K350-V353 PolarHBondContact O-N 3.23Å; K350-V353 VanDerWaalsContact O-N 3.15Å; V353-G357 VanDerWaalsContact O-CA 3.25Å; V353-G357 WeakPolarHBondContact O-CA 3.43Å; V353-G357 PolarHBondContact O-N 3.04Å; V353-F386 HydrophobicContact CG2-CE1 4.14Å |
| 354 | H | 78.7 | Confident | 80.5 | Confident | 45 Ų | 45 | 32.6 Ų | 32.6 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.7 | -42.7 | 173.7 | -74.4 | -79.3 | 0 | 0 | 0 | 112.9 | T70 R179 K350 L351 F352 | T70-H354 WeakPolarHBondContact CG2-ND1 3.44Å; R179-H354 PolarHBondContact NH2-CD2 3.4Å; R179-H354 PolarHBondContact NH2-NE2 3.45Å; K350-H354 PolarHBondContact O-CD2 3.24Å; K350-H354 PolarHBondContact O-N 3.06Å; L351-H354 WeakPolarHBondContact O-CB 3.35Å; L351-H354 PolarHBondContact O-N 2.89Å; F352-H354 PolarHBondContact O-N 3.25Å |
| 355 | R | 88 | Confident | 79.9 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -53.4 | 178.3 | -69.9 | -175 | -178.9 | -174.7 | 1.5 | 111.3 | F274 D326 N342 H344 L351 F352 G357 R358 | F274-R355 HydrophobicContact CD1-CG 3.81Å; F274-R355 HydrophobicContact CD2-CB 3.91Å; F274-R355 HydrophobicContact CD2-CG 3.9Å; F274-R355 HydrophobicContact CE1-CB 4.36Å; F274-R355 HydrophobicContact CE1-CG 3.71Å; F274-R355 HydrophobicContact CE2-CB 3.56Å; F274-R355 HydrophobicContact CE2-CG 3.79Å; F274-R355 HydrophobicContact CG-CB 4.43Å; F274-R355 HydrophobicContact CG-CG 3.91Å; F274-R355 HydrophobicContact CZ-CB 3.82Å; F274-R355 HydrophobicContact CZ-CG 3.69Å; D326-R355 IonicContact OD1-CZ 3.51Å; D326-R355 IonicContact OD1-NE 2.78Å; D326-R355 PolarHBondContact OD1-NE 3.48Å; D326-R355 IonicContact OD1-NH2 2.64Å; D326-R355 PolarHBondContact OD1-NH2 2.78Å; D326-R355 IonicContact OD2-CZ 2.78Å; D326-R355 IonicContact OD2-NE 3.65Å; D326-R355 IonicContact OD2-NH2 3.11Å; D326-R355 PolarHBondContact OD2-NH2 3.05Å; N342-R355 WeakPolarHBondContact OD1-CD 3.07Å; N342-R355 PolarHBondContact OD1-NH1 2.98Å; H344-R355 PolarHBondContact O-NH1 3.27Å; L351-R355 WeakPolarHBondContact O-CG 3.48Å; L351-R355 PolarHBondContact O-N 2.93Å; F352-R355 WeakPolarHBondContact O-CB 3.45Å; F352-R355 PolarHBondContact O-N 3Å; R355-G357 VanDerWaalsContact C-N 3.3Å; R355-G357 PolarHBondContact O-N 3.01Å; R355-R358 WeakPolarHBondContact O-CG 3.41Å |
| 356 | V | 85.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.5 | -15.3 | -178.1 | -49 | 0 | 0 | 0 | 0 | 112.3 | L235 L239 V340 F352 R358 V359 A368 | L235-V356 HydrophobicContact CD2-CG2 3.43Å; L235-V356 VanDerWaalsContact CD2-CG2 3.43Å; L239-V356 HydrophobicContact CD2-CB 3.93Å; L239-V356 HydrophobicContact CD2-CG2 3.7Å; V340-V356 HydrophobicContact CG1-CG1 4.43Å; F352-V356 HydrophobicContact CD1-CG1 4.19Å; F352-V356 HydrophobicContact CD1-CG2 3.99Å; F352-V356 HydrophobicContact CD2-CG1 4.38Å; F352-V356 HydrophobicContact CE1-CB 4.43Å; F352-V356 HydrophobicContact CE1-CG1 3.79Å; F352-V356 HydrophobicContact CE1-CG2 3.79Å; F352-V356 HydrophobicContact CE2-CG1 4.01Å; F352-V356 HydrophobicContact CG-CG1 4.46Å; F352-V356 HydrophobicContact CZ-CG1 3.7Å; F352-V356 WeakPolarHBondContact O-CG2 3.31Å; F352-V356 PolarHBondContact O-N 2.83Å; V356-R358 PolarHBondContact O-N 2.81Å; V356-V359 HydrophobicContact CB-CG2 4.49Å; V356-V359 WeakPolarHBondContact O-CG2 3.49Å; V356-V359 PolarHBondContact O-N 3.29Å; V356-V359 VanDerWaalsContact O-N 3.15Å; V356-A368 HydrophobicContact CB-CB 3.84Å; V356-A368 HydrophobicContact CG1-CB 3.42Å; V356-A368 VanDerWaalsContact CG1-CB 3.42Å |
| 357 | G | 78.6 | Confident | 79.5 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 1.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V353 R355 R361 | V353-G357 VanDerWaalsContact O-CA 3.25Å; V353-G357 WeakPolarHBondContact O-CA 3.43Å; V353-G357 PolarHBondContact O-N 3.04Å; R355-G357 VanDerWaalsContact C-N 3.3Å; R355-G357 PolarHBondContact O-N 3.01Å; G357-R361 PolarHBondContact O-NE 2.92Å; G357-R361 PolarHBondContact O-NH2 3.12Å |
| 358 | R | 76.6 | Confident | 79.6 | Confident | 41 Ų | 41 | 38.3 Ų | 38.3 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -19.1 | 173.4 | -60.3 | -63.8 | -177.9 | 170.4 | 4 | 113.5 | S329 L337 R355 V356 | S329-R358 PolarHBondContact O-NH2 2.97Å; L337-R358 HydrophobicContact CD1-CB 3.99Å; R355-R358 WeakPolarHBondContact O-CG 3.41Å; V356-R358 PolarHBondContact O-N 2.81Å |
| 359 | V | 78.9 | Confident | 80 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -100 | 167.1 | 175.3 | -67.9 | 0 | 0 | 0 | 0 | 110.4 | L239 L337 V340 V356 R361 | L239-V359 HydrophobicContact CD1-CB 4.41Å; L239-V359 HydrophobicContact CD1-CG2 3.34Å; L239-V359 HydrophobicContact CD2-CG2 4.44Å; L239-V359 HydrophobicContact CG-CG2 4.49Å; L337-V359 HydrophobicContact CB-CG1 3.76Å; L337-V359 WeakPolarHBondContact O-CG1 3.37Å; V340-V359 HydrophobicContact CB-CG1 4.17Å; V340-V359 HydrophobicContact CG2-CG1 3.52Å; V340-V359 HydrophobicContact CG2-CG2 4.47Å; V356-V359 HydrophobicContact CB-CG2 4.49Å; V356-V359 WeakPolarHBondContact O-CG2 3.49Å; V356-V359 PolarHBondContact O-N 3.29Å; V356-V359 VanDerWaalsContact O-N 3.15Å; V359-R361 VanDerWaalsContact C-N 3.31Å; V359-R361 PolarHBondContact O-N 3.13Å |
| 360 | A | 71.2 | Confident | 80.5 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 52.9 | 42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S236 K238 L239 S364 | S236-A360 PolarHBondContact OG-O 3.07Å; K238-A360 HydrophobicContact CB-CB 4.36Å; L239-A360 HydrophobicContact CB-CB 4.08Å; A360-S364 CarbonylContact C-O 3.52Å; A360-S364 WeakPolarHBondContact CA-O 3.44Å |
| 361 | R | 68.7 | Low | 81.2 | Confident | 66 Ų | 66 | 28.2 Ų | 28.2 | 25% | 0.249 | 18% | 0.176 | C | C | . | . | trans | -94.1 | 156.2 | 176.3 | -70 | -168.6 | 175 | -172.6 | 1.1 | 111.2 | F336 G357 V359 G363 S364 | F336-R361 HydrophobicContact CD1-CB 3.62Å; F336-R361 HydrophobicContact CD1-CG 4.19Å; F336-R361 HydrophobicContact CE1-CB 3.53Å; F336-R361 HydrophobicContact CE1-CG 4.14Å; G357-R361 PolarHBondContact O-NE 2.92Å; G357-R361 PolarHBondContact O-NH2 3.12Å; V359-R361 VanDerWaalsContact C-N 3.31Å; V359-R361 PolarHBondContact O-N 3.13Å; R361-G363 PolarHBondContact O-N 2.98Å; R361-S364 WeakPolarHBondContact O-CB 3.46Å; R361-S364 PolarHBondContact O-N 2.96Å | ||
| 362 | A | 64.5 | Low | 81.5 | Confident | 100 Ų | 100 | 27 Ų | 27 | 83% | 0.826 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 28.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 363 | G | 65.9 | Low | 81.4 | Confident | 44 Ų | 44 | 27 Ų | 27 | 45% | 0.454 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -3.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | K238 R361 | K238-G363 WeakPolarHBondContact CD-O 3.19Å; K238-G363 WeakPolarHBondContact CE-O 3.46Å; K238-G363 PolarHBondContact NZ-O 3.44Å; R361-G363 PolarHBondContact O-N 2.98Å |
| 364 | S | 75.6 | Confident | 81.5 | Confident | 68 Ų | 68 | 30.5 Ų | 30.5 | 48% | 0.476 | 20% | 0.195 | S | C | . | . | trans | -69.9 | 154.4 | 171.7 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | A360 R361 | A360-S364 CarbonylContact C-O 3.52Å; A360-S364 WeakPolarHBondContact CA-O 3.44Å; R361-S364 WeakPolarHBondContact O-CB 3.46Å; R361-S364 PolarHBondContact O-N 2.96Å | ||
| 365 | T | 82.4 | Confident | 81.7 | Confident | 96 Ų | 96 | 33.7 Ų | 33.7 | 59% | 0.589 | 21% | 0.21 | S | C | * | . | trans | -81 | 162.8 | 167.2 | 51.4 | 0 | 0 | 0 | 0 | 110.5 | K238 | K238-T365 HydrophobicContact CB-CG2 4.35Š| ||
| 366 | G | 85.4 | Confident | 81.7 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 166.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K238 L239 T240 H338 | K238-G366 PolarHBondContact O-N 3.39Å; L239-G366 WeakPolarHBondContact CA-O 3.28Å; L239-G366 WeakPolarHBondContact CD1-O 3.35Å; T240-G366 PolarHBondContact N-O 2.74Å; H338-G366 WeakPolarHBondContact O-CA 3.21Å |
| 367 | Q | 86.8 | Confident | 81.7 | Confident | 52 Ų | 52 | 33.4 Ų | 33.4 | 24% | 0.243 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 140.3 | -177.6 | 57.1 | 178.5 | -12.3 | 0 | 0 | 111.7 | T240 H338 T339 V340 | T240-Q367 CarbonylContact O-C 3.51Å; T240-Q367 WeakPolarHBondContact O-CA 3.33Å; H338-Q367 PolarHBondContact O-N 3.44Å; T339-Q367 WeakPolarHBondContact CA-O 3.32Å; T339-Q367 HydrophobicContact CG2-CG 3.91Å; T339-Q367 PolarHBondContact OG1-NE2 2.92Å; V340-Q367 PolarHBondContact N-O 3.37Å |
| 368 | A | 90.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 114.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L239 T240 L241 A242 V340 V356 | L239-A368 HydrophobicContact CD1-CB 3.96Å; T240-A368 PolarHBondContact O-N 2.99Å; L241-A368 WeakPolarHBondContact CA-O 3.39Å; L241-A368 HydrophobicContact CD2-CB 3.89Å; A242-A368 PolarHBondContact N-O 2.67Å; V340-A368 CarbonylContact O-C 3.48Å; V340-A368 VanDerWaalsContact O-CA 3.29Å; V340-A368 WeakPolarHBondContact O-CA 3.41Å; V356-A368 HydrophobicContact CB-CB 3.84Å; V356-A368 HydrophobicContact CG1-CB 3.42Å; V356-A368 VanDerWaalsContact CG1-CB 3.42Å |
| 369 | I | 91 | Very high | 82.6 | Confident | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.9 | -178.6 | -54.9 | 171.2 | 0 | 0 | 0 | 108.2 | A242 I244 L258 I264 T339 V340 I341 N342 | A242-I369 HydrophobicContact CB-CG1 4.33Å; A242-I369 CarbonylContact O-C 3.59Å; A242-I369 WeakPolarHBondContact O-CA 3.42Å; I244-I369 HydrophobicContact CD1-CG2 3.76Å; I244-I369 HydrophobicContact CG1-CG2 4.48Å; L258-I369 HydrophobicContact CD1-CG2 3.84Å; L258-I369 HydrophobicContact CD2-CD1 4.37Å; I264-I369 HydrophobicContact CD1-CD1 3.54Å; T339-I369 HydrophobicContact CG2-CD1 4.34Å; V340-I369 PolarHBondContact O-N 2.62Å; I341-I369 CarbonylContact C-O 3.58Å; I341-I369 VanDerWaalsContact CA-O 3.27Å; I341-I369 WeakPolarHBondContact CA-O 3.32Å; N342-I369 PolarHBondContact N-O 3.19Å |
| 370 | S | 92.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127 | 177.6 | -51 | 0 | 0 | 0 | 0 | 110.8 | A242 H243 I244 N342 | A242-S370 PolarHBondContact O-N 3.21Å; H243-S370 WeakPolarHBondContact CA-O 3.4Å; I244-S370 PolarHBondContact N-O 3.38Å; N342-S370 PolarHBondContact ND2-OG 3.15Å; N342-S370 VanDerWaalsContact ND2-OG 3.08Å |
| 371 | I | 92 | Very high | 83.7 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.2 | 176.3 | -52.1 | 175.9 | 0 | 0 | 0 | 107.4 | C246 K251 V254 L255 L258 I341 N342 Y343 | C246-I371 WeakPolarHBondContact SG-CG2 3.44Å; K251-I371 HydrophobicContact CB-CG2 4.21Å; K251-I371 HydrophobicContact CD-CG2 4.42Å; K251-I371 HydrophobicContact CG-CG2 3.86Å; K251-I371 PolarHBondContact NZ-O 3.16Å; K251-I371 VanDerWaalsContact NZ-O 3.16Å; V254-I371 HydrophobicContact CB-CD1 4.34Å; V254-I371 HydrophobicContact CB-CG2 4.26Å; V254-I371 HydrophobicContact CG1-CD1 3.93Å; V254-I371 HydrophobicContact CG1-CG1 4Å; V254-I371 HydrophobicContact CG1-CG2 4.07Å; L255-I371 HydrophobicContact CB-CD1 3.88Å; L255-I371 HydrophobicContact CD1-CD1 4.34Å; L258-I371 HydrophobicContact CD1-CD1 4.11Å; L258-I371 HydrophobicContact CD1-CG1 4.24Å; I341-I371 HydrophobicContact CG2-CD1 4.3Å; I341-I371 HydrophobicContact CG2-CG1 4.5Å; N342-I371 PolarHBondContact O-N 3.34Å; Y343-I371 HydrophobicContact CD2-CD1 4.25Å |
| 372 | I | 88.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.5 | -166.3 | -54.9 | -179.4 | 0 | 0 | 0 | 109.1 | H243 I244 F245 C246 F345 E376 L380 | H243-I372 HydrophobicContact CB-CD1 3.85Å; I244-I372 PolarHBondContact O-N 3.41Å; F245-I372 WeakPolarHBondContact CA-O 3.27Å; F245-I372 HydrophobicContact CD1-CB 4.09Å; F245-I372 HydrophobicContact CD1-CG2 4.05Å; F245-I372 HydrophobicContact CE1-CB 3.96Å; F245-I372 HydrophobicContact CE1-CG2 3.59Å; F245-I372 HydrophobicContact CZ-CD1 4.43Å; F245-I372 HydrophobicContact CZ-CG2 4.41Å; C246-I372 PolarHBondContact N-O 2.69Å; F345-I372 HydrophobicContact CD2-CD1 3.74Å; F345-I372 HydrophobicContact CD2-CG1 3.82Å; F345-I372 HydrophobicContact CE2-CD1 3.93Å; F345-I372 HydrophobicContact CE2-CG1 4.5Å; F345-I372 HydrophobicContact CG-CG1 4.42Å; I372-E376 HydrophobicContact CG2-CB 4Å; I372-L380 HydrophobicContact CD1-CB 4.17Å; I372-L380 HydrophobicContact CD1-CD1 3.7Å; I372-L380 HydrophobicContact CD1-CD2 3.67Å; I372-L380 HydrophobicContact CD1-CG 4.06Å |
| 373 | S | 86.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | trans | -93.5 | 166.6 | 169.2 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | C246 Q248 E375 E376 Y377 | C246-S373 VanDerWaalsContact O-CA 3.3Å; C246-S373 WeakPolarHBondContact O-CA 3.34Å; Q248-S373 PolarHBondContact OE1-OG 3.27Å; S373-E375 PolarHBondContact O-N 3.33Å; S373-E376 PolarHBondContact O-N 2.88Å; S373-Y377 PolarHBondContact O-N 3.34Å; S373-Y377 VanDerWaalsContact O-N 3.14Å | ||
| 374 | S | 84.1 | Confident | 86.3 | Confident | 90 Ų | 90 | 23.9 Ų | 23.9 | 63% | 0.629 | 14% | 0.137 | S | C | * | . | G | 310 helix | trans | -50.5 | -40.8 | 177.7 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | E376 Y377 | S374-E376 VanDerWaalsContact C-N 3.31Å; S374-E376 PolarHBondContact O-N 2.94Å; S374-Y377 WeakPolarHBondContact O-CB 3.19Å; S374-Y377 PolarHBondContact O-N 2.92Å |
| 375 | E | 83.1 | Confident | 86.4 | Confident | 111 Ų | 111 | 26.2 Ų | 26.2 | 52% | 0.519 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -75.6 | -17.5 | 179.6 | -49.2 | 179.8 | 176.1 | 0 | 0 | 114.2 | S373 K427 | S373-E375 PolarHBondContact O-N 3.33Å; E375-K427 VanDerWaalsContact C-NZ 3.31Å; E375-K427 PolarHBondContact O-NZ 3.46Å; E375-K427 IonicContact OE2-NZ 3.09Å; E375-K427 PolarHBondContact OE2-NZ 3.41Å; E375-K427 VanDerWaalsContact OE2-NZ 3.11Å |
| 376 | E | 87.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -95.2 | -10.4 | 178.6 | -70.9 | 174.7 | -172.9 | 0 | 0 | 112 | K251 H344 F345 I372 S373 S374 A378 Y379 L380 Y423 | K251-E376 IonicContact NZ-OE1 3.39Å; K251-E376 PolarHBondContact NZ-OE1 3.04Å; K251-E376 IonicContact NZ-OE2 3.28Å; K251-E376 PolarHBondContact NZ-OE2 3.09Å; H344-E376 IonicContact CD2-OE1 2.83Å; F345-E376 HydrophobicContact CB-CB 4.03Å; F345-E376 HydrophobicContact CB-CG 4.38Å; F345-E376 WeakPolarHBondContact CB-OE2 3.39Å; F345-E376 PolarHBondContact N-OE2 2.93Å; F345-E376 VanDerWaalsContact N-OE2 3.11Å; I372-E376 HydrophobicContact CG2-CB 4Å; S373-E376 PolarHBondContact O-N 2.88Å; S374-E376 VanDerWaalsContact C-N 3.31Å; S374-E376 PolarHBondContact O-N 2.94Å; E376-A378 VanDerWaalsContact C-N 3.27Å; E376-A378 PolarHBondContact O-N 2.96Å; E376-Y379 HydrophobicContact CB-CD2 4.19Å; E376-Y379 HydrophobicContact CG-CD2 4.33Å; E376-Y379 HydrophobicContact CG-CE2 4.46Å; E376-Y379 WeakPolarHBondContact O-CB 3.22Å; E376-Y379 PolarHBondContact O-N 2.78Å; E376-L380 PolarHBondContact O-N 2.65Å; E376-Y423 PolarHBondContact OE1-OH 3.4Å |
| 377 | Y | 86.7 | Confident | 85.9 | Confident | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.2 | -37 | -177.4 | -178.5 | -117.5 | 0 | 0 | 0 | 113.5 | F245 S373 S374 Y379 L380 L381 L391 A438 E441 L444 | F245-Y377 AromaticContact CE1-CD2 3.28Å; F245-Y377 HydrophobicContact CE1-CD2 3.28Å; F245-Y377 AromaticContact CE1-CE2 3.8Å; F245-Y377 HydrophobicContact CE1-CE2 3.8Å; F245-Y377 HydrophobicContact CE1-CG 4.17Å; F245-Y377 AromaticContact CZ-CD2 3.4Å; F245-Y377 HydrophobicContact CZ-CD2 3.4Å; F245-Y377 VanDerWaalsContact CZ-CD2 3.4Å; F245-Y377 AromaticContact CZ-CE2 3.45Å; F245-Y377 HydrophobicContact CZ-CE2 3.45Å; F245-Y377 VanDerWaalsContact CZ-CE2 3.45Å; S373-Y377 PolarHBondContact O-N 3.34Å; S373-Y377 VanDerWaalsContact O-N 3.14Å; S374-Y377 WeakPolarHBondContact O-CB 3.19Å; S374-Y377 PolarHBondContact O-N 2.92Å; Y377-Y379 PolarHBondContact O-N 2.83Å; Y377-L380 HydrophobicContact CD2-CB 4.3Å; Y377-L380 HydrophobicContact CD2-CD2 4.01Å; Y377-L380 HydrophobicContact CE2-CD2 3.95Å; Y377-L380 WeakPolarHBondContact O-CA 3.27Å; Y377-L380 VanDerWaalsContact O-CB 3.27Å; Y377-L380 WeakPolarHBondContact O-CB 3.42Å; Y377-L380 PolarHBondContact O-N 2.68Å; Y377-L381 HydrophobicContact CD1-CD1 3.99Å; Y377-L381 HydrophobicContact CD1-CG 4.21Å; Y377-L381 HydrophobicContact CE1-CD1 3.62Å; Y377-L381 HydrophobicContact CE1-CD2 3.95Å; Y377-L381 HydrophobicContact CE1-CG 3.79Å; Y377-L381 HydrophobicContact CE2-CD2 4.39Å; Y377-L381 HydrophobicContact CE2-CG 4.5Å; Y377-L381 PolarHBondContact O-N 2.81Å; Y377-L381 VanDerWaalsContact O-N 3.07Å; Y377-L391 HydrophobicContact CE2-CD2 3.92Å; Y377-A438 HydrophobicContact CD1-CB 3.63Å; Y377-A438 HydrophobicContact CE1-CB 4.31Å; Y377-E441 HydrophobicContact CE1-CB 4.16Å; Y377-E441 HydrophobicContact CE1-CG 4.21Å; Y377-E441 WeakPolarHBondContact CE1-OE2 3.48Å; Y377-E441 PolarHBondContact OH-OE1 3.26Å; Y377-E441 PolarHBondContact OH-OE2 3.47Å; Y377-L444 HydrophobicContact CD1-CD1 3.07Å; Y377-L444 HydrophobicContact CD1-CG 4.5Å; Y377-L444 HydrophobicContact CD2-CD1 3.85Å; Y377-L444 HydrophobicContact CD2-CD2 4.48Å; Y377-L444 HydrophobicContact CE1-CD1 3.23Å; Y377-L444 HydrophobicContact CE1-CG 4.48Å; Y377-L444 HydrophobicContact CE2-CD1 3.93Å; Y377-L444 HydrophobicContact CG-CD1 3.37Å |
| 378 | A | 85.9 | Confident | 85.3 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58 | -35.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E376 L380 L381 D382 C430 S434 A438 | E376-A378 VanDerWaalsContact C-N 3.27Å; E376-A378 PolarHBondContact O-N 2.96Å; A378-L380 VanDerWaalsContact C-N 3.32Å; A378-L380 PolarHBondContact O-N 3.39Å; A378-L381 WeakPolarHBondContact O-CB 3.42Å; A378-L381 PolarHBondContact O-N 3.1Å; A378-D382 PolarHBondContact O-N 2.89Å; A378-C430 HydrophobicContact CB-CB 3.82Å; A378-S434 WeakPolarHBondContact O-CB 3.45Å; A378-A438 HydrophobicContact CB-CB 4.15Å |
| 379 | Y | 88.9 | Confident | 84.6 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.1 | -32.3 | 174.8 | -55.9 | -44.9 | 0 | 0 | 0 | 113 | F345 A347 E376 Y377 D382 L383 K427 P428 C430 | F345-Y379 VanDerWaalsContact CD1-CB 3.46Å; F345-Y379 HydrophobicContact CD1-CD2 4.49Å; F345-Y379 HydrophobicContact CD1-CG 4.45Å; F345-Y379 WeakPolarHBondContact CE1-O 3.43Å; A347-Y379 HydrophobicContact CB-CD1 3.99Å; A347-Y379 HydrophobicContact CB-CD2 4.44Å; A347-Y379 HydrophobicContact CB-CE1 3.57Å; A347-Y379 HydrophobicContact CB-CE2 4.08Å; A347-Y379 HydrophobicContact CB-CG 4.39Å; A347-Y379 WeakPolarHBondContact O-CD1 3.34Å; E376-Y379 HydrophobicContact CB-CD2 4.19Å; E376-Y379 HydrophobicContact CG-CD2 4.33Å; E376-Y379 HydrophobicContact CG-CE2 4.46Å; E376-Y379 WeakPolarHBondContact O-CB 3.22Å; E376-Y379 PolarHBondContact O-N 2.78Å; Y377-Y379 PolarHBondContact O-N 2.83Å; Y379-D382 PolarHBondContact O-N 3.4Å; Y379-L383 PolarHBondContact O-N 3Å; Y379-K427 VanDerWaalsContact CE2-CE 3.41Å; Y379-K427 HydrophobicContact CE2-CG 4.43Å; Y379-K427 WeakPolarHBondContact OH-CE 3.36Å; Y379-K427 WeakPolarHBondContact OH-CG 3.06Å; Y379-P428 PolarHBondContact OH-O 3.35Å; Y379-C430 HydrophobicContact CD1-CB 4.37Å; Y379-C430 HydrophobicContact CE1-CB 4.01Å; Y379-C430 WeakPolarHBondContact CE1-SG 3.3Å |
| 380 | L | 87.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 174.2 | -175.1 | 70.4 | 0 | 0 | 0 | 110.7 | F245 F345 I372 E376 Y377 A378 D382 L383 Y384 L391 | F245-L380 HydrophobicContact CE1-CD2 4.37Å; F245-L380 HydrophobicContact CE2-CD2 4.22Å; F245-L380 HydrophobicContact CZ-CD2 3.49Å; F245-L380 VanDerWaalsContact CZ-CD2 3.49Å; F345-L380 HydrophobicContact CE1-CB 4.41Å; F345-L380 HydrophobicContact CE2-CD1 3.65Å; F345-L380 HydrophobicContact CZ-CB 4.22Å; F345-L380 HydrophobicContact CZ-CD1 3.57Å; I372-L380 HydrophobicContact CD1-CB 4.17Å; I372-L380 HydrophobicContact CD1-CD1 3.7Å; I372-L380 HydrophobicContact CD1-CD2 3.67Å; I372-L380 HydrophobicContact CD1-CG 4.06Å; E376-L380 PolarHBondContact O-N 2.65Å; Y377-L380 HydrophobicContact CD2-CB 4.3Å; Y377-L380 HydrophobicContact CD2-CD2 4.01Å; Y377-L380 HydrophobicContact CE2-CD2 3.95Å; Y377-L380 WeakPolarHBondContact O-CA 3.27Å; Y377-L380 VanDerWaalsContact O-CB 3.27Å; Y377-L380 WeakPolarHBondContact O-CB 3.42Å; Y377-L380 PolarHBondContact O-N 2.68Å; A378-L380 VanDerWaalsContact C-N 3.32Å; A378-L380 PolarHBondContact O-N 3.39Å; L380-D382 VanDerWaalsContact C-N 3.35Å; L380-L383 HydrophobicContact CD1-CD2 4.41Å; L380-L383 WeakPolarHBondContact O-CB 3.26Å; L380-L383 PolarHBondContact O-N 3.38Å; L380-L383 VanDerWaalsContact O-N 3.12Å; L380-Y384 HydrophobicContact CD1-CD2 3.9Å; L380-Y384 HydrophobicContact CD1-CE2 3.63Å; L380-Y384 HydrophobicContact CG-CD2 4.03Å; L380-Y384 HydrophobicContact CG-CE2 4.11Å; L380-Y384 WeakPolarHBondContact O-CD2 3.5Å; L380-Y384 PolarHBondContact O-N 3.21Å; L380-L391 HydrophobicContact CD2-CD1 3.93Å; L380-L391 HydrophobicContact CD2-CD2 4.01Å |
| 381 | L | 84.6 | Confident | 83 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 175.1 | -65.7 | 177.2 | 0 | 0 | 0 | 111.3 | Y377 A378 L383 Y384 L385 R437 A438 | Y377-L381 HydrophobicContact CD1-CD1 3.99Å; Y377-L381 HydrophobicContact CD1-CG 4.21Å; Y377-L381 HydrophobicContact CE1-CD1 3.62Å; Y377-L381 HydrophobicContact CE1-CD2 3.95Å; Y377-L381 HydrophobicContact CE1-CG 3.79Å; Y377-L381 HydrophobicContact CE2-CD2 4.39Å; Y377-L381 HydrophobicContact CE2-CG 4.5Å; Y377-L381 PolarHBondContact O-N 2.81Å; Y377-L381 VanDerWaalsContact O-N 3.07Å; A378-L381 WeakPolarHBondContact O-CB 3.42Å; A378-L381 PolarHBondContact O-N 3.1Å; L381-L383 PolarHBondContact O-N 3.46Å; L381-Y384 PolarHBondContact O-N 2.83Å; L381-L385 WeakPolarHBondContact O-CB 3.46Å; L381-L385 PolarHBondContact O-N 2.96Å; L381-R437 HydrophobicContact CD1-CB 3.9Å; L381-R437 HydrophobicContact CD1-CG 3.78Å; L381-A438 HydrophobicContact CD1-CB 4.11Å |
| 382 | D | 84.1 | Confident | 82 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.9 | -39 | 173.7 | -71 | -30 | 0 | 0 | 0 | 111.5 | P349 A378 Y379 L380 F386 S431 S434 | P349-D382 HydrophobicContact CG-CB 3.97Å; P349-D382 VanDerWaalsContact CG-O 3.31Å; P349-D382 WeakPolarHBondContact CG-O 3.3Å; A378-D382 PolarHBondContact O-N 2.89Å; Y379-D382 PolarHBondContact O-N 3.4Å; L380-D382 VanDerWaalsContact C-N 3.35Å; D382-F386 VanDerWaalsContact O-CB 3.31Å; D382-F386 WeakPolarHBondContact O-CB 3.26Å; D382-F386 PolarHBondContact O-N 3.31Å; D382-S431 PolarHBondContact OD1-OG 3.21Å; D382-S431 PolarHBondContact OD2-OG 3.29Å; D382-S434 WeakPolarHBondContact OD1-CB 3.39Å; D382-S434 PolarHBondContact OD1-OG 3.29Å |
| 383 | L | 85.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -51.1 | 176.6 | 174 | 67.9 | 0 | 0 | 0 | 111.7 | F345 P349 F352 Y379 L380 L381 L385 F386 L387 | F345-L383 HydrophobicContact CE1-CB 4.44Å; F345-L383 HydrophobicContact CE2-CD2 4.41Å; F345-L383 HydrophobicContact CZ-CB 4.17Å; F345-L383 HydrophobicContact CZ-CD2 3.68Å; P349-L383 HydrophobicContact CB-CB 4.48Å; P349-L383 HydrophobicContact CB-CD1 3.97Å; F352-L383 HydrophobicContact CB-CD1 3.91Å; F352-L383 HydrophobicContact CB-CD2 4.32Å; F352-L383 HydrophobicContact CD1-CD1 3.66Å; F352-L383 HydrophobicContact CD1-CD2 3.51Å; F352-L383 HydrophobicContact CD1-CG 4.26Å; F352-L383 HydrophobicContact CD2-CD2 3.8Å; F352-L383 HydrophobicContact CE1-CD1 4.41Å; F352-L383 HydrophobicContact CE1-CD2 3.61Å; F352-L383 HydrophobicContact CE2-CD2 3.89Å; F352-L383 HydrophobicContact CG-CD1 3.92Å; F352-L383 HydrophobicContact CG-CD2 3.61Å; F352-L383 HydrophobicContact CG-CG 4.41Å; F352-L383 HydrophobicContact CZ-CD2 3.79Å; Y379-L383 PolarHBondContact O-N 3Å; L380-L383 HydrophobicContact CD1-CD2 4.41Å; L380-L383 WeakPolarHBondContact O-CB 3.26Å; L380-L383 PolarHBondContact O-N 3.38Å; L380-L383 VanDerWaalsContact O-N 3.12Å; L381-L383 PolarHBondContact O-N 3.46Å; L383-L385 VanDerWaalsContact C-N 3.31Å; L383-L385 PolarHBondContact O-N 2.86Å; L383-F386 CarbonylContact O-C 3.57Å; L383-F386 WeakPolarHBondContact O-CA 3.47Å; L383-F386 WeakPolarHBondContact O-CB 3.45Å; L383-F386 PolarHBondContact O-N 3.31Å; L383-F386 VanDerWaalsContact O-N 3.1Å; L383-L387 HydrophobicContact CD1-CD1 3.9Å; L383-L387 HydrophobicContact CD1-CD2 4.35Å; L383-L387 HydrophobicContact CD1-CG 3.91Å; L383-L387 HydrophobicContact CD2-CD1 4.26Å; L383-L387 HydrophobicContact CG-CD1 3.8Å; L383-L387 HydrophobicContact CG-CG 4.18Å; L383-L387 VanDerWaalsContact O-CG 3.28Å; L383-L387 WeakPolarHBondContact O-CG 3.48Å; L383-L387 PolarHBondContact O-N 2.82Å |
| 384 | Y | 83.7 | Confident | 80.2 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 13% | 0.125 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.5 | -34.4 | -176.1 | -88 | -100.4 | 0 | 0 | 0 | 112.1 | H243 L380 L381 L387 G388 R389 L391 | H243-Y384 AromaticContact CD2-CE2 3.95Å; H243-Y384 AromaticContact CD2-CZ 3.98Å; H243-Y384 PolarHBondContact CD2-OH 3.19Å; H243-Y384 AromaticContact NE2-CE2 3.44Å; H243-Y384 WeakPolarHBondContact NE2-CE2 3.47Å; H243-Y384 AromaticContact NE2-CZ 3.61Å; H243-Y384 PolarHBondContact NE2-OH 2.97Å; L380-Y384 HydrophobicContact CD1-CD2 3.9Å; L380-Y384 HydrophobicContact CD1-CE2 3.63Å; L380-Y384 HydrophobicContact CG-CD2 4.03Å; L380-Y384 HydrophobicContact CG-CE2 4.11Å; L380-Y384 WeakPolarHBondContact O-CD2 3.5Å; L380-Y384 PolarHBondContact O-N 3.21Å; L381-Y384 PolarHBondContact O-N 2.83Å; Y384-L387 PolarHBondContact O-N 3.42Å; Y384-G388 PolarHBondContact O-N 2.83Å; Y384-R389 WeakPolarHBondContact CB-O 3.47Å; Y384-R389 HydrophobicContact CD1-CB 4.03Å; Y384-R389 WeakPolarHBondContact CD1-O 3.34Å; Y384-R389 HydrophobicContact CE1-CB 4.41Å; Y384-R389 PolarHBondContact O-N 2.8Å; Y384-R389 VanDerWaalsContact O-N 3.1Å; Y384-L391 HydrophobicContact CD1-CB 4.22Å; Y384-L391 HydrophobicContact CD1-CD1 4.38Å; Y384-L391 HydrophobicContact CD2-CD1 4.09Å; Y384-L391 HydrophobicContact CE1-CB 4.41Å; Y384-L391 HydrophobicContact CE1-CD1 3.96Å; Y384-L391 HydrophobicContact CE2-CD1 3.66Å; Y384-L391 HydrophobicContact CG-CB 4.44Å; Y384-L391 HydrophobicContact CG-CD1 4.44Å |
| 385 | L | 78.7 | Confident | 78.7 | Confident | 117 Ų | 117 | 56.4 Ų | 56.4 | 61% | 0.613 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.2 | -46.7 | 168.3 | -176.1 | 64.3 | 0 | 0 | 0 | 111.2 | L381 L383 L387 G388 | L381-L385 WeakPolarHBondContact O-CB 3.46Å; L381-L385 PolarHBondContact O-N 2.96Å; L383-L385 VanDerWaalsContact C-N 3.31Å; L383-L385 PolarHBondContact O-N 2.86Å; L385-L387 VanDerWaalsContact C-N 3.34Å; L385-L387 PolarHBondContact O-N 2.83Å; L385-G388 PolarHBondContact O-N 2.79Å |
| 386 | F | 77.4 | Confident | 77 | Confident | 79 Ų | 79 | 58.7 Ų | 58.7 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.7 | -33.2 | 177.2 | 176 | -97.8 | 0 | 0 | 0 | 113.8 | S233 P349 K350 V353 D382 L383 G388 | S233-F386 VanDerWaalsContact CB-CE1 3.47Å; S233-F386 WeakPolarHBondContact CB-O 3.33Å; S233-F386 PolarHBondContact OG-O 3.02Å; P349-F386 HydrophobicContact CB-CB 3.51Å; P349-F386 HydrophobicContact CB-CD1 3.57Å; P349-F386 HydrophobicContact CB-CD2 4.24Å; P349-F386 HydrophobicContact CB-CE1 4.37Å; P349-F386 HydrophobicContact CB-CG 3.49Å; P349-F386 VanDerWaalsContact CB-CG 3.49Å; P349-F386 HydrophobicContact CG-CB 3.86Å; P349-F386 HydrophobicContact CG-CG 4.27Å; K350-F386 HydrophobicContact CG-CE2 4.46Å; K350-F386 HydrophobicContact CG-CZ 4.26Å; V353-F386 HydrophobicContact CG2-CE1 4.14Å; D382-F386 VanDerWaalsContact O-CB 3.31Å; D382-F386 WeakPolarHBondContact O-CB 3.26Å; D382-F386 PolarHBondContact O-N 3.31Å; L383-F386 CarbonylContact O-C 3.57Å; L383-F386 WeakPolarHBondContact O-CA 3.47Å; L383-F386 WeakPolarHBondContact O-CB 3.45Å; L383-F386 PolarHBondContact O-N 3.31Å; L383-F386 VanDerWaalsContact O-N 3.1Å; F386-G388 VanDerWaalsContact C-N 3.3Å |
| 387 | L | 79.2 | Confident | 75 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -78.4 | -14.1 | 176.1 | -65.9 | 176.8 | 0 | 0 | 0 | 112.7 | S233 L235 L383 Y384 L385 R389 | S233-L387 WeakPolarHBondContact O-CD2 3.35Å; L235-L387 HydrophobicContact CD1-CD1 3.81Å; L235-L387 HydrophobicContact CD1-CD2 3.99Å; L235-L387 HydrophobicContact CG-CD2 4.02Å; L383-L387 HydrophobicContact CD1-CD1 3.9Å; L383-L387 HydrophobicContact CD1-CD2 4.35Å; L383-L387 HydrophobicContact CD1-CG 3.91Å; L383-L387 HydrophobicContact CD2-CD1 4.26Å; L383-L387 HydrophobicContact CG-CD1 3.8Å; L383-L387 HydrophobicContact CG-CG 4.18Å; L383-L387 VanDerWaalsContact O-CG 3.28Å; L383-L387 WeakPolarHBondContact O-CG 3.48Å; L383-L387 PolarHBondContact O-N 2.82Å; Y384-L387 PolarHBondContact O-N 3.42Å; L385-L387 VanDerWaalsContact C-N 3.34Å; L385-L387 PolarHBondContact O-N 2.83Å; L387-R389 HydrophobicContact CB-CB 4.32Å; L387-R389 HydrophobicContact CB-CG 4.18Å; L387-R389 PolarHBondContact O-N 3.32Å |
| 388 | G | 73.5 | Confident | 72.8 | Confident | 71 Ų | 71 | 68 Ų | 68 | 73% | 0.732 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 28.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y384 L385 F386 | Y384-G388 PolarHBondContact O-N 2.83Å; L385-G388 PolarHBondContact O-N 2.79Å; F386-G388 VanDerWaalsContact C-N 3.3Å |
| 389 | R | 76.9 | Confident | 70.7 | Confident | 99 Ų | 99 | 75.1 Ų | 75.1 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | trans | -116 | 148.9 | -178.3 | -66.1 | -177.8 | -177.8 | -171.6 | -3 | 109.9 | Y384 L387 | Y384-R389 WeakPolarHBondContact CB-O 3.47Å; Y384-R389 HydrophobicContact CD1-CB 4.03Å; Y384-R389 WeakPolarHBondContact CD1-O 3.34Å; Y384-R389 HydrophobicContact CE1-CB 4.41Å; Y384-R389 PolarHBondContact O-N 2.8Å; Y384-R389 VanDerWaalsContact O-N 3.1Å; L387-R389 HydrophobicContact CB-CB 4.32Å; L387-R389 HydrophobicContact CB-CG 4.18Å; L387-R389 PolarHBondContact O-N 3.32Å | ||
| 390 | S | 73.2 | Confident | 68.4 | Low | 107 Ų | 107 | 77.7 Ų | 77.7 | 75% | 0.748 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -87 | 141.4 | 171.1 | -64.7 | 0 | 0 | 0 | 0 | 111.1 | Q392 | S390-Q392 PolarHBondContact O-N 2.93Š|
| 391 | L | 75.9 | Confident | 65.9 | Low | 35 Ų | 35 | 86.4 Ų | 86.4 | 18% | 0.183 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 121.4 | 176.2 | -174.4 | 68.1 | 0 | 0 | 0 | 109.6 | Y377 L380 Y384 F393 | Y377-L391 HydrophobicContact CE2-CD2 3.92Å; L380-L391 HydrophobicContact CD2-CD1 3.93Å; L380-L391 HydrophobicContact CD2-CD2 4.01Å; Y384-L391 HydrophobicContact CD1-CB 4.22Å; Y384-L391 HydrophobicContact CD1-CD1 4.38Å; Y384-L391 HydrophobicContact CD2-CD1 4.09Å; Y384-L391 HydrophobicContact CE1-CB 4.41Å; Y384-L391 HydrophobicContact CE1-CD1 3.96Å; Y384-L391 HydrophobicContact CE2-CD1 3.66Å; Y384-L391 HydrophobicContact CG-CB 4.44Å; Y384-L391 HydrophobicContact CG-CD1 4.44Å; L391-F393 HydrophobicContact CD2-CE1 3.82Å; L391-F393 HydrophobicContact CD2-CE2 3.78Å; L391-F393 HydrophobicContact CD2-CZ 3.37Å; L391-F393 HydrophobicContact CG-CE2 4.1Å; L391-F393 HydrophobicContact CG-CZ 4.13Å |
| 392 | Q | 72 | Confident | 63.8 | Low | 180 Ų | 180 | 89.9 Ų | 89.9 | 84% | 0.841 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -98.5 | 125 | 174.5 | -65.2 | -177.1 | -3.2 | 0 | 0 | 109.4 | S390 | S390-Q392 PolarHBondContact O-N 2.93Š|
| 393 | F | 71.1 | Confident | 61.8 | Low | 57 Ų | 57 | 91.2 Ų | 91.2 | 25% | 0.25 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -97.6 | 125.5 | 176.2 | -64.4 | -91.6 | 0 | 0 | 0 | 109.2 | F245 L391 E441 | F245-F393 HydrophobicContact CE2-CE1 4.41Å; L391-F393 HydrophobicContact CD2-CE1 3.82Å; L391-F393 HydrophobicContact CD2-CE2 3.78Å; L391-F393 HydrophobicContact CD2-CZ 3.37Å; L391-F393 HydrophobicContact CG-CE2 4.1Å; L391-F393 HydrophobicContact CG-CZ 4.13Å; F393-E441 WeakPolarHBondContact CZ-OE1 3.16Å |
| 394 | S | 65.7 | Low | 59.7 | Low | 108 Ų | 108 | 92.7 Ų | 92.7 | 76% | 0.755 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 124.7 | 168.7 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 395 | T | 52.2 | Low | 57.4 | Low | 133 Ų | 133 | 101 Ų | 101 | 82% | 0.816 | 54% | 0.544 | S | S | * | . | trans | -88.8 | -12.3 | 177.6 | 48 | 0 | 0 | 0 | 0 | 113.3 | A397 | T395-A397 PolarHBondContact O-N 3.33Š| ||
| 396 | K | 47.9 | Very low | 55.6 | Low | 158 Ų | 158 | 97.5 Ų | 97.5 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | trans | -74.9 | 90.6 | -177.9 | -68.7 | -175.2 | 179.3 | -178 | 0 | 110.5 | T398 | K396-T398 PolarHBondContact O-N 3.44Š| ||
| 397 | A | 45.5 | Very low | 53.7 | Low | 74 Ų | 74 | 98 Ų | 98 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -66.9 | -4.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T395 E399 T400 | T395-A397 PolarHBondContact O-N 3.33Å; A397-E399 PolarHBondContact O-N 3.33Å; A397-T400 PolarHBondContact O-N 3.02Å; A397-T400 PolarHBondContact O-OG1 3.19Å |
| 398 | T | 39.5 | Very low | 51.8 | Low | 122 Ų | 122 | 99.3 Ų | 99.3 | 75% | 0.748 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -72.2 | -27.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K396 | K396-T398 PolarHBondContact O-N 3.44Š|
| 399 | E | 41.4 | Very low | 50.2 | Low | 156 Ų | 156 | 99.7 Ų | 99.7 | 73% | 0.729 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -98.7 | -6.7 | 178.6 | -73.2 | 173.4 | -174.4 | 0 | 0 | 113.6 | A397 S402 | A397-E399 PolarHBondContact O-N 3.33Å; E399-S402 PolarHBondContact O-OG 3.04Å |
| 400 | T | 41 | Very low | 48.4 | Very low | 57 Ų | 57 | 100 Ų | 100 | 35% | 0.35 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -77.4 | -24 | -175.7 | -20.9 | 0 | 0 | 0 | 0 | 112.8 | A397 S402 I403 L404 L449 | A397-T400 PolarHBondContact O-N 3.02Å; A397-T400 PolarHBondContact O-OG1 3.19Å; T400-S402 VanDerWaalsContact C-N 3.29Å; T400-S402 PolarHBondContact O-N 3.23Å; T400-I403 PolarHBondContact O-N 2.66Å; T400-L404 HydrophobicContact CG2-CD1 4.44Å; T400-L449 HydrophobicContact CG2-CD2 4.45Å |
| 401 | K | 35.8 | Very low | 47.1 | Very low | 182 Ų | 182 | 101.2 Ų | 101.2 | 79% | 0.791 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -28.9 | -178.6 | -74.2 | -174.4 | 178.9 | 178.9 | 0 | 113.2 | ||
| 402 | S | 39.5 | Very low | 45.7 | Very low | 81 Ų | 81 | 103.6 Ų | 103.6 | 57% | 0.566 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -78.9 | -36 | -179.6 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | K261 E399 T400 L404 | K261-S402 WeakPolarHBondContact CD-O 3.38Å; K261-S402 PolarHBondContact NZ-O 3.22Å; E399-S402 PolarHBondContact O-OG 3.04Å; T400-S402 VanDerWaalsContact C-N 3.29Å; T400-S402 PolarHBondContact O-N 3.23Å; S402-L404 VanDerWaalsContact C-N 3.28Å; S402-L404 PolarHBondContact O-N 2.84Å |
| 403 | I | 43.5 | Very low | 44.9 | Very low | 52 Ų | 52 | 95.5 Ų | 95.5 | 27% | 0.267 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -33.4 | -178.1 | -60.1 | 171.6 | 0 | 0 | 0 | 111.5 | T400 | T400-I403 PolarHBondContact O-N 2.66Å |
| 404 | L | 40.1 | Very low | 44.3 | Very low | 31 Ų | 31 | 98.1 Ų | 98.1 | 16% | 0.162 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 3.5 | -163.4 | -66.8 | 172.3 | 0 | 0 | 0 | 117.4 | V254 T400 S402 F406 L449 I452 | V254-L404 HydrophobicContact CG2-CD2 4.28Å; T400-L404 HydrophobicContact CG2-CD1 4.44Å; S402-L404 VanDerWaalsContact C-N 3.28Å; S402-L404 PolarHBondContact O-N 2.84Å; L404-F406 VanDerWaalsContact C-N 3.29Å; L404-F406 PolarHBondContact O-N 3.38Å; L404-L449 HydrophobicContact CD1-CD1 3.73Å; L404-L449 HydrophobicContact CD1-CD2 3.47Å; L404-L449 VanDerWaalsContact CD1-CD2 3.47Å; L404-L449 HydrophobicContact CD1-CG 4.14Å; L404-I452 HydrophobicContact CB-CD1 3.62Å; L404-I452 WeakPolarHBondContact O-CD1 3.41Å |
| 405 | R | 35.2 | Very low | 44.3 | Very low | 207 Ų | 207 | 96.3 Ų | 96.3 | 78% | 0.781 | 50% | 0.5 | S | S | * | . | trans | -69.7 | 86.8 | 167.9 | -82.6 | -173.1 | 176.9 | 148.6 | -1.8 | 110.7 | K261 | K261-R405 PolarHBondContact NZ-O 3.41Š| ||
| 406 | F | 40.6 | Very low | 45.2 | Very low | 44 Ų | 44 | 91 Ų | 91 | 19% | 0.193 | 47% | 0.465 | C | S | . | . | trans | -132.5 | 120 | 161.5 | -81.2 | -79.1 | 0 | 0 | 0 | 109.1 | E260 K261 L404 L408 | E260-F406 HydrophobicContact CB-CZ 4.02Å; E260-F406 VanDerWaalsContact CD-CE1 3.48Å; E260-F406 HydrophobicContact CG-CZ 4.06Å; E260-F406 WeakPolarHBondContact OE2-CE1 3.23Å; E260-F406 WeakPolarHBondContact OE2-CZ 3.33Å; K261-F406 HydrophobicContact CD-CE2 3.8Å; K261-F406 HydrophobicContact CD-CZ 4.33Å; K261-F406 VanDerWaalsContact CE-CE2 3.48Å; K261-F406 HydrophobicContact CG-CE2 4.03Å; K261-F406 HydrophobicContact CG-CZ 4.18Å; L404-F406 VanDerWaalsContact C-N 3.29Å; L404-F406 PolarHBondContact O-N 3.38Å; F406-L408 VanDerWaalsContact C-N 3.26Å; F406-L408 PolarHBondContact O-N 2.81Å; F406-L408 VanDerWaalsContact O-N 3.1Å | ||
| 407 | S | 37.8 | Very low | 46.3 | Very low | 88 Ų | 88 | 88.3 Ų | 88.3 | 62% | 0.615 | 46% | 0.458 | S | S | * | . | trans | -74.6 | 90.8 | 156.8 | -171.9 | 0 | 0 | 0 | 0 | 106.4 | H409 | S407-H409 VanDerWaalsContact C-N 3.26Å; S407-H409 PolarHBondContact O-N 2.69Å | ||
| 408 | L | 39.7 | Very low | 47.6 | Very low | 44 Ų | 44 | 89.1 Ų | 89.1 | 23% | 0.23 | 45% | 0.452 | C | S | . | . | trans | -71 | 97.6 | 160.3 | -76.9 | 169.9 | 0 | 0 | 0 | 105.6 | A253 L256 F406 F410 | A253-L408 HydrophobicContact CB-CD1 3.45Å; A253-L408 VanDerWaalsContact CB-CD1 3.45Å; L256-L408 HydrophobicContact CD1-CD2 3.58Å; F406-L408 VanDerWaalsContact C-N 3.26Å; F406-L408 PolarHBondContact O-N 2.81Å; F406-L408 VanDerWaalsContact O-N 3.1Å; L408-F410 VanDerWaalsContact C-N 3.26Å; L408-F410 PolarHBondContact O-N 3.13Å | ||
| 409 | H | 39.6 | Very low | 49.3 | Very low | 79 Ų | 79 | 83.5 Ų | 83.5 | 37% | 0.366 | 42% | 0.418 | S | S | . | . | trans | -52.2 | 111.1 | 146.4 | -85.6 | -65.2 | 0 | 0 | 0 | 104.7 | S407 F411 I459 | S407-H409 VanDerWaalsContact C-N 3.26Å; S407-H409 PolarHBondContact O-N 2.69Å; H409-F411 PolarHBondContact O-N 3.29Å; H409-I459 WeakPolarHBondContact CE1-CD1 3.41Å; H409-I459 WeakPolarHBondContact ND1-CD1 3.23Å | ||
| 410 | F | 39.9 | Very low | 50.8 | Low | 105 Ų | 105 | 79 Ų | 79 | 46% | 0.461 | 40% | 0.397 | S | S | . | . | trans | -57.1 | 94.1 | 174.1 | -113.3 | -87.4 | 0 | 0 | 0 | 106 | L408 V412 | L408-F410 VanDerWaalsContact C-N 3.26Å; L408-F410 PolarHBondContact O-N 3.13Å; F410-V412 HydrophobicContact CB-CG2 4.14Å; F410-V412 HydrophobicContact CD1-CG2 3.84Å; F410-V412 HydrophobicContact CG-CG2 4.42Å; F410-V412 PolarHBondContact O-N 3.17Å | ||
| 411 | F | 44.8 | Very low | 52.4 | Low | 132 Ų | 132 | 82.6 Ų | 82.6 | 58% | 0.579 | 41% | 0.408 | S | S | * | . | trans | -67.1 | 85.9 | 152.8 | -75.7 | -78.9 | 0 | 0 | 0 | 103.8 | H409 I413 | H409-F411 PolarHBondContact O-N 3.29Å; F411-I413 PolarHBondContact O-N 3.08Å | ||
| 412 | V | 46.9 | Very low | 54.2 | Low | 86 Ų | 86 | 77.7 Ų | 77.7 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | trans | -65 | 90.4 | 161.1 | -177 | 0 | 0 | 0 | 0 | 104.4 | F410 D414 | F410-V412 HydrophobicContact CB-CG2 4.14Å; F410-V412 HydrophobicContact CD1-CG2 3.84Å; F410-V412 HydrophobicContact CG-CG2 4.42Å; F410-V412 PolarHBondContact O-N 3.17Å; V412-D414 PolarHBondContact O-N 3.4Å | ||
| 413 | I | 55.6 | Low | 55.9 | Low | 10 Ų | 10 | 74.3 Ų | 74.3 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | trans | -68.2 | 126.2 | 159.6 | -53.7 | -172.9 | 0 | 0 | 0 | 104.5 | Y283 E286 V287 F411 N415 F416 | Y283-I413 HydrophobicContact CD2-CB 4.2Å; Y283-I413 HydrophobicContact CD2-CD1 4.41Å; Y283-I413 HydrophobicContact CE2-CB 3.98Å; Y283-I413 HydrophobicContact CE2-CD1 4.25Å; Y283-I413 HydrophobicContact CE2-CG1 4.27Å; E286-I413 HydrophobicContact CB-CD1 3.83Å; E286-I413 VanDerWaalsContact OE2-CG2 3.3Å; E286-I413 WeakPolarHBondContact OE2-CG2 3.13Å; V287-I413 HydrophobicContact CG2-CD1 3.54Å; V287-I413 HydrophobicContact CG2-CG1 4.43Å; F411-I413 PolarHBondContact O-N 3.08Å; I413-N415 HydrophobicContact CG2-CB 4.17Å; I413-N415 PolarHBondContact O-N 2.9Å; I413-F416 PolarHBondContact O-N 3.07Å | ||
| 414 | D | 59 | Low | 57.4 | Low | 111 Ų | 111 | 74.4 Ų | 74.4 | 59% | 0.594 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -25.4 | -176.7 | -64.1 | -40.6 | 0 | 0 | 0 | 113 | V412 F416 | V412-D414 PolarHBondContact O-N 3.4Å; D414-F416 PolarHBondContact O-N 2.82Å |
| 415 | N | 65.3 | Low | 58.9 | Low | 71 Ų | 71 | 82.6 Ų | 82.6 | 38% | 0.38 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -74.9 | -13.3 | 179.6 | -67 | -25 | 0 | 0 | 0 | 115.6 | I413 N418 S419 | I413-N415 HydrophobicContact CG2-CB 4.17Å; I413-N415 PolarHBondContact O-N 2.9Å; N415-N418 PolarHBondContact O-N 3.09Å; N415-S419 WeakPolarHBondContact O-CB 3.49Å; N415-S419 PolarHBondContact O-N 3.15Å; N415-S419 PolarHBondContact O-OG 2.99Å |
| 416 | F | 70.5 | Confident | 60.7 | Low | 21 Ų | 21 | 75.9 Ų | 75.9 | 9% | 0.092 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.1 | -49.9 | -175 | -179.4 | -118.1 | 0 | 0 | 0 | 112.7 | F280 Y283 I413 D414 N418 S419 M420 | F280-F416 HydrophobicContact CE1-CD2 4.45Å; F280-F416 HydrophobicContact CE1-CE2 4.16Å; F280-F416 HydrophobicContact CZ-CE2 4.48Å; Y283-F416 HydrophobicContact CD1-CD2 4.05Å; Y283-F416 HydrophobicContact CD2-CB 4.15Å; Y283-F416 HydrophobicContact CD2-CD2 4.4Å; Y283-F416 AromaticContact CE1-CD2 3.42Å; Y283-F416 HydrophobicContact CE1-CD2 3.42Å; Y283-F416 VanDerWaalsContact CE1-CD2 3.42Å; Y283-F416 AromaticContact CE1-CE2 3.89Å; Y283-F416 HydrophobicContact CE1-CE2 3.89Å; Y283-F416 HydrophobicContact CE1-CG 4.46Å; Y283-F416 HydrophobicContact CE2-CB 3.64Å; Y283-F416 AromaticContact CE2-CD2 3.82Å; Y283-F416 HydrophobicContact CE2-CD2 3.82Å; Y283-F416 HydrophobicContact CE2-CG 4.12Å; Y283-F416 HydrophobicContact CG-CD2 4.5Å; Y283-F416 AromaticContact CZ-CD2 3.28Å; Y283-F416 AromaticContact CZ-CG 3.92Å; Y283-F416 WeakPolarHBondContact OH-CD2 3.43Å; I413-F416 PolarHBondContact O-N 3.07Å; D414-F416 PolarHBondContact O-N 2.82Å; F416-N418 VanDerWaalsContact C-N 3.31Å; F416-N418 PolarHBondContact O-N 2.83Å; F416-S419 WeakPolarHBondContact O-CB 3.33Å; F416-S419 PolarHBondContact O-N 3.29Å; F416-S419 VanDerWaalsContact O-N 3.16Å; F416-M420 HydrophobicContact CD1-CE 4.11Å; F416-M420 HydrophobicContact CE1-CE 3.38Å; F416-M420 HydrophobicContact CE1-CG 4.42Å; F416-M420 HydrophobicContact CE1-SD 4.19Å; F416-M420 HydrophobicContact CE2-CG 4.21Å; F416-M420 HydrophobicContact CZ-CE 3.74Å; F416-M420 HydrophobicContact CZ-CG 4.04Å; F416-M420 HydrophobicContact CZ-SD 3.9Å; F416-M420 PolarHBondContact O-N 3.47Å |
| 417 | L | 71.1 | Confident | 62.2 | Low | 101 Ų | 101 | 75.8 Ų | 75.8 | 53% | 0.529 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | -178.8 | -70.3 | 174.2 | 0 | 0 | 0 | 111.6 | M420 K421 | L417-M420 HydrophobicContact CD2-CE 4.48Å; L417-M420 PolarHBondContact O-N 3.49Å; L417-K421 WeakPolarHBondContact O-CG 3.43Å; L417-K421 PolarHBondContact O-N 3.3Å |
| 418 | N | 74 | Confident | 63.8 | Low | 92 Ų | 92 | 75.1 Ų | 75.1 | 49% | 0.492 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 175.8 | -73.7 | -21.8 | 0 | 0 | 0 | 111.4 | N415 F416 K421 Q422 | N415-N418 PolarHBondContact O-N 3.09Å; F416-N418 VanDerWaalsContact C-N 3.31Å; F416-N418 PolarHBondContact O-N 2.83Å; N418-K421 PolarHBondContact O-N 3.33Å; N418-Q422 VanDerWaalsContact O-CG 3.29Å; N418-Q422 WeakPolarHBondContact O-CG 3.34Å; N418-Q422 PolarHBondContact O-N 2.95Å |
| 419 | S | 74.2 | Confident | 65.4 | Low | 3 Ų | 3 | 81.3 Ų | 81.3 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | H279 F280 N415 F416 Q422 Y423 | H279-S419 PolarHBondContact O-OG 2.92Å; F280-S419 WeakPolarHBondContact CE2-O 3.12Å; N415-S419 WeakPolarHBondContact O-CB 3.49Å; N415-S419 PolarHBondContact O-N 3.15Å; N415-S419 PolarHBondContact O-OG 2.99Å; F416-S419 WeakPolarHBondContact O-CB 3.33Å; F416-S419 PolarHBondContact O-N 3.29Å; F416-S419 VanDerWaalsContact O-N 3.16Å; S419-Q422 PolarHBondContact O-N 3.49Å; S419-Y423 PolarHBondContact O-N 2.87Å |
| 420 | M | 72.3 | Confident | 66.7 | Low | 61 Ų | 61 | 79.1 Ų | 79.1 | 30% | 0.3 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.4 | -89.6 | -148 | -64.8 | 0 | 0 | 112.8 | Q248 F280 F416 L417 Q422 Y423 G424 | Q248-M420 HydrophobicContact CG-SD 4.31Å; F280-M420 HydrophobicContact CE2-CG 4.37Å; F280-M420 HydrophobicContact CZ-CB 4.45Å; F280-M420 HydrophobicContact CZ-CG 3.72Å; F416-M420 HydrophobicContact CD1-CE 4.11Å; F416-M420 HydrophobicContact CE1-CE 3.38Å; F416-M420 HydrophobicContact CE1-CG 4.42Å; F416-M420 HydrophobicContact CE1-SD 4.19Å; F416-M420 HydrophobicContact CE2-CG 4.21Å; F416-M420 HydrophobicContact CZ-CE 3.74Å; F416-M420 HydrophobicContact CZ-CG 4.04Å; F416-M420 HydrophobicContact CZ-SD 3.9Å; F416-M420 PolarHBondContact O-N 3.47Å; L417-M420 HydrophobicContact CD2-CE 4.48Å; L417-M420 PolarHBondContact O-N 3.49Å; M420-Q422 VanDerWaalsContact C-N 3.26Å; M420-Q422 PolarHBondContact O-N 2.97Å; M420-Y423 PolarHBondContact O-N 3.34Å; M420-Y423 VanDerWaalsContact O-N 3.15Å; M420-G424 PolarHBondContact O-N 2.83Å |
| 421 | K | 74.9 | Confident | 68.2 | Low | 133 Ų | 133 | 76.2 Ų | 76.2 | 58% | 0.578 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57.3 | -40.7 | 176.7 | -74.6 | 176.4 | -177.7 | 178.2 | 0 | 111.7 | L417 N418 R425 | L417-K421 WeakPolarHBondContact O-CG 3.43Å; L417-K421 PolarHBondContact O-N 3.3Å; N418-K421 PolarHBondContact O-N 3.33Å; K421-R425 WeakPolarHBondContact O-CG 3.2Å; K421-R425 PolarHBondContact O-N 3.22Å |
| 422 | Q | 74.5 | Confident | 69.5 | Low | 79 Ų | 79 | 75 Ų | 75 | 37% | 0.369 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.5 | -36.6 | 177.8 | -68.1 | -66.4 | -6.3 | 0 | 0 | 112.6 | N418 S419 M420 R425 S426 | N418-Q422 VanDerWaalsContact O-CG 3.29Å; N418-Q422 WeakPolarHBondContact O-CG 3.34Å; N418-Q422 PolarHBondContact O-N 2.95Å; S419-Q422 PolarHBondContact O-N 3.49Å; M420-Q422 VanDerWaalsContact C-N 3.26Å; M420-Q422 PolarHBondContact O-N 2.97Å; Q422-R425 PolarHBondContact O-N 2.96Å; Q422-S426 WeakPolarHBondContact O-CB 3.06Å; Q422-S426 PolarHBondContact O-N 3.09Å; Q422-S426 VanDerWaalsContact O-N 3.11Å; Q422-S426 PolarHBondContact O-OG 2.93Å |
| 423 | Y | 74.7 | Confident | 70.8 | Confident | 11 Ų | 11 | 77.3 Ų | 77.3 | 4% | 0.043 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 174.5 | 178.6 | -121.4 | 0 | 0 | 0 | 111.7 | A276 T277 F280 H344 E376 S419 M420 R425 S426 K427 | A276-Y423 HydrophobicContact CB-CD2 3.56Å; A276-Y423 HydrophobicContact CB-CE2 3.42Å; A276-Y423 VanDerWaalsContact CB-CE2 3.42Å; T277-Y423 HydrophobicContact CG2-CD2 4.38Å; F280-Y423 HydrophobicContact CE2-CG 4.23Å; H344-Y423 HydrophobicContact CB-CE2 4.31Å; H344-Y423 AromaticContact CD2-CE1 3.54Å; H344-Y423 AromaticContact CD2-CE2 3.69Å; H344-Y423 AromaticContact CD2-CZ 3.35Å; H344-Y423 AromaticContact CG-CE2 3.98Å; H344-Y423 AromaticContact NE2-CD1 3.92Å; H344-Y423 AromaticContact NE2-CE1 3.92Å; E376-Y423 PolarHBondContact OE1-OH 3.4Å; S419-Y423 PolarHBondContact O-N 2.87Å; M420-Y423 PolarHBondContact O-N 3.34Å; M420-Y423 VanDerWaalsContact O-N 3.15Å; Y423-R425 PolarHBondContact O-N 3.49Å; Y423-S426 PolarHBondContact O-N 3.29Å; Y423-S426 VanDerWaalsContact O-N 3.14Å; Y423-S426 PolarHBondContact O-OG 3.03Å; Y423-K427 PolarHBondContact O-N 3.45Å; Y423-K427 VanDerWaalsContact O-N 3.12Å |
| 424 | G | 73.9 | Confident | 71.6 | Confident | 53 Ų | 53 | 77.2 Ų | 77.2 | 55% | 0.546 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58 | -37 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | M420 | M420-G424 PolarHBondContact O-N 2.83Å |
| 425 | R | 72.3 | Confident | 72.6 | Confident | 203 Ų | 203 | 73.6 Ų | 73.6 | 77% | 0.766 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -76 | -27.1 | 177.8 | -71.3 | 177.7 | 179.1 | 179.2 | -1.1 | 115.1 | K421 Q422 Y423 | K421-R425 WeakPolarHBondContact O-CG 3.2Å; K421-R425 PolarHBondContact O-N 3.22Å; Q422-R425 PolarHBondContact O-N 2.96Å; Y423-R425 PolarHBondContact O-N 3.49Å |
| 426 | S | 72.6 | Confident | 73.3 | Confident | 67 Ų | 67 | 79.2 Ų | 79.2 | 47% | 0.469 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -100.5 | -4.2 | -173.4 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | T277 Q422 Y423 | T277-S426 VanDerWaalsContact CG2-OG 3.31Å; T277-S426 WeakPolarHBondContact CG2-OG 3.41Å; Q422-S426 WeakPolarHBondContact O-CB 3.06Å; Q422-S426 PolarHBondContact O-N 3.09Å; Q422-S426 VanDerWaalsContact O-N 3.11Å; Q422-S426 PolarHBondContact O-OG 2.93Å; Y423-S426 PolarHBondContact O-N 3.29Å; Y423-S426 VanDerWaalsContact O-N 3.14Å; Y423-S426 PolarHBondContact O-OG 3.03Å |
| 427 | K | 73 | Confident | 73.5 | Confident | 42 Ų | 42 | 85 Ų | 85 | 18% | 0.183 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 125.8 | 179.1 | -168.2 | -175.8 | -172.4 | -173.7 | 0 | 110.1 | E375 Y379 Y423 | E375-K427 VanDerWaalsContact C-NZ 3.31Å; E375-K427 PolarHBondContact O-NZ 3.46Å; E375-K427 IonicContact OE2-NZ 3.09Å; E375-K427 PolarHBondContact OE2-NZ 3.41Å; E375-K427 VanDerWaalsContact OE2-NZ 3.11Å; Y379-K427 VanDerWaalsContact CE2-CE 3.41Å; Y379-K427 HydrophobicContact CE2-CG 4.43Å; Y379-K427 WeakPolarHBondContact OH-CE 3.36Å; Y379-K427 WeakPolarHBondContact OH-CG 3.06Å; Y423-K427 PolarHBondContact O-N 3.45Å; Y423-K427 VanDerWaalsContact O-N 3.12Å |
| 428 | P | 72.1 | Confident | 73.8 | Confident | 74 Ų | 74 | 81.1 Ų | 81.1 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 165.1 | 173.2 | 28.7 | -35.1 | 0 | 0 | 0 | 111.2 | A347 Y379 | A347-P428 HydrophobicContact CB-CB 4.45Å; A347-P428 HydrophobicContact CB-CG 3.21Å; Y379-P428 PolarHBondContact OH-O 3.35Å |
| 429 | L | 72.5 | Confident | 74 | Confident | 173 Ų | 173 | 84.6 Ų | 84.6 | 91% | 0.906 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 143.2 | 173.6 | -69.7 | 163.2 | 0 | 0 | 0 | 110.4 | ||
| 430 | C | 66.9 | Low | 74 | Confident | 33 Ų | 33 | 88.3 Ų | 88.3 | 22% | 0.223 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 161.2 | 172 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | A378 Y379 S435 | A378-C430 HydrophobicContact CB-CB 3.82Å; Y379-C430 HydrophobicContact CD1-CB 4.37Å; Y379-C430 HydrophobicContact CE1-CB 4.01Å; Y379-C430 WeakPolarHBondContact CE1-SG 3.3Å; C430-S435 VanDerWaalsContact CB-OG 3.31Å; C430-S435 WeakPolarHBondContact CB-OG 3.29Å |
| 431 | S | 70.4 | Confident | 74 | Confident | 45 Ų | 45 | 87.1 Ų | 87.1 | 32% | 0.315 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 143.6 | 169.5 | 72.7 | 0 | 0 | 0 | 0 | 110.4 | D382 E433 S434 S435 | D382-S431 PolarHBondContact OD1-OG 3.21Å; D382-S431 PolarHBondContact OD2-OG 3.29Å; S431-E433 VanDerWaalsContact C-N 3.31Å; S431-E433 PolarHBondContact O-N 3.17Å; S431-S434 WeakPolarHBondContact OG-CB 3.36Å; S431-S434 PolarHBondContact OG-N 3.36Å; S431-S434 PolarHBondContact OG-OG 3.1Å; S431-S435 VanDerWaalsContact O-CB 3.28Å; S431-S435 WeakPolarHBondContact O-CB 3.38Å; S431-S435 PolarHBondContact O-N 3.28Å; S431-S435 PolarHBondContact O-OG 3.32Å |
| 432 | S | 73.6 | Confident | 73.1 | Confident | 107 Ų | 107 | 85.3 Ų | 85.3 | 75% | 0.748 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | -178.5 | 52.9 | 0 | 0 | 0 | 0 | 111.7 | S435 R436 | S432-S435 PolarHBondContact O-N 3.42Å; S432-R436 PolarHBondContact O-N 3.37Å |
| 433 | E | 72.6 | Confident | 72.4 | Confident | 134 Ų | 134 | 88.8 Ų | 88.8 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.9 | -50.3 | 179 | -170.7 | 176 | -174.7 | 0 | 0 | 112.1 | S431 S435 R436 R437 | S431-E433 VanDerWaalsContact C-N 3.31Å; S431-E433 PolarHBondContact O-N 3.17Å; E433-S435 VanDerWaalsContact C-N 3.29Å; E433-S435 PolarHBondContact O-N 3.15Å; E433-R436 WeakPolarHBondContact O-CB 3.43Å; E433-R436 PolarHBondContact O-N 2.95Å; E433-R436 VanDerWaalsContact O-N 3.15Å; E433-R437 PolarHBondContact O-N 2.64Å |
| 434 | S | 74.3 | Confident | 71.6 | Confident | 7 Ų | 7 | 89.9 Ų | 89.9 | 5% | 0.049 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -68.4 | -30.3 | 177.6 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | A378 D382 S431 R437 A438 | A378-S434 WeakPolarHBondContact O-CB 3.45Å; D382-S434 WeakPolarHBondContact OD1-CB 3.39Å; D382-S434 PolarHBondContact OD1-OG 3.29Å; S431-S434 WeakPolarHBondContact OG-CB 3.36Å; S431-S434 PolarHBondContact OG-N 3.36Å; S431-S434 PolarHBondContact OG-OG 3.1Å; S434-R437 PolarHBondContact O-N 3.42Å; S434-A438 WeakPolarHBondContact O-CB 3.47Å; S434-A438 PolarHBondContact O-N 3.44Å |
| 435 | S | 79.1 | Confident | 70.7 | Confident | 35 Ų | 35 | 94.7 Ų | 94.7 | 25% | 0.245 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 171.2 | -60 | 0 | 0 | 0 | 0 | 111.8 | C430 S431 S432 E433 K439 | C430-S435 VanDerWaalsContact CB-OG 3.31Å; C430-S435 WeakPolarHBondContact CB-OG 3.29Å; S431-S435 VanDerWaalsContact O-CB 3.28Å; S431-S435 WeakPolarHBondContact O-CB 3.38Å; S431-S435 PolarHBondContact O-N 3.28Å; S431-S435 PolarHBondContact O-OG 3.32Å; S432-S435 PolarHBondContact O-N 3.42Å; E433-S435 VanDerWaalsContact C-N 3.29Å; E433-S435 PolarHBondContact O-N 3.15Å; S435-K439 VanDerWaalsContact O-CG 3.3Å; S435-K439 WeakPolarHBondContact O-CG 3.17Å; S435-K439 PolarHBondContact O-N 3.13Å; S435-K439 VanDerWaalsContact O-N 3.11Å |
| 436 | R | 79.7 | Confident | 69.7 | Low | 190 Ų | 190 | 91.5 Ų | 91.5 | 72% | 0.717 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.5 | -47.1 | 175.4 | -170.9 | 178.3 | 74.8 | 151.8 | 1.1 | 110.9 | S432 E433 K439 S440 | S432-R436 PolarHBondContact O-N 3.37Å; E433-R436 WeakPolarHBondContact O-CB 3.43Å; E433-R436 PolarHBondContact O-N 2.95Å; E433-R436 VanDerWaalsContact O-N 3.15Å; R436-K439 PolarHBondContact O-N 3.31Å; R436-S440 PolarHBondContact O-N 3.01Å; R436-S440 PolarHBondContact O-OG 3.26Å |
| 437 | R | 75.3 | Confident | 68.6 | Low | 141 Ų | 141 | 92.3 Ų | 92.3 | 53% | 0.532 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 178 | -174.2 | 174.2 | 172.1 | 170.6 | 2.4 | 112 | L381 E433 S434 K439 S440 E441 | L381-R437 HydrophobicContact CD1-CB 3.9Å; L381-R437 HydrophobicContact CD1-CG 3.78Å; E433-R437 PolarHBondContact O-N 2.64Å; S434-R437 PolarHBondContact O-N 3.42Å; R437-K439 VanDerWaalsContact C-N 3.3Å; R437-K439 PolarHBondContact O-N 3.2Å; R437-S440 WeakPolarHBondContact CA-OG 3.31Å; R437-S440 PolarHBondContact O-N 3.27Å; R437-S440 VanDerWaalsContact O-N 3.14Å; R437-S440 PolarHBondContact O-OG 2.89Å; R437-E441 PolarHBondContact O-N 3.38Å; R437-E441 VanDerWaalsContact O-N 3.13Å |
| 438 | A | 77.4 | Confident | 67.2 | Low | 20 Ų | 20 | 93.2 Ų | 93.2 | 17% | 0.165 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y377 A378 L381 S434 E441 | Y377-A438 HydrophobicContact CD1-CB 3.63Å; Y377-A438 HydrophobicContact CE1-CB 4.31Å; A378-A438 HydrophobicContact CB-CB 4.15Å; L381-A438 HydrophobicContact CD1-CB 4.11Å; S434-A438 WeakPolarHBondContact O-CB 3.47Å; S434-A438 PolarHBondContact O-N 3.44Å; A438-E441 PolarHBondContact O-N 3Å |
| 439 | K | 77.7 | Confident | 65.8 | Low | 165 Ų | 165 | 92 Ų | 92 | 72% | 0.717 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.7 | -33.5 | 176.8 | -73.4 | 174.5 | -178.1 | -177 | 0 | 113 | S435 R436 R437 E441 | S435-K439 VanDerWaalsContact O-CG 3.3Å; S435-K439 WeakPolarHBondContact O-CG 3.17Å; S435-K439 PolarHBondContact O-N 3.13Å; S435-K439 VanDerWaalsContact O-N 3.11Å; R436-K439 PolarHBondContact O-N 3.31Å; R437-K439 VanDerWaalsContact C-N 3.3Å; R437-K439 PolarHBondContact O-N 3.2Å; K439-E441 VanDerWaalsContact C-N 3.31Å |
| 440 | S | 74.8 | Confident | 63.8 | Low | 81 Ų | 81 | 91.8 Ų | 91.8 | 57% | 0.566 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -76 | -15.8 | 176.9 | 59 | 0 | 0 | 0 | 0 | 113.9 | R436 R437 T442 | R436-S440 PolarHBondContact O-N 3.01Å; R436-S440 PolarHBondContact O-OG 3.26Å; R437-S440 WeakPolarHBondContact CA-OG 3.31Å; R437-S440 PolarHBondContact O-N 3.27Å; R437-S440 VanDerWaalsContact O-N 3.14Å; R437-S440 PolarHBondContact O-OG 2.89Å; S440-T442 PolarHBondContact O-N 3.46Å |
| 441 | E | 71.7 | Confident | 62.2 | Low | 37 Ų | 37 | 93.6 Ų | 93.6 | 17% | 0.173 | 48% | 0.477 | C | S | . | . | trans | -80.6 | 91.9 | -173.3 | -162.8 | 131.5 | -172.1 | 0 | 0 | 112 | Y377 F393 R437 A438 K439 R443 L444 | Y377-E441 HydrophobicContact CE1-CB 4.16Å; Y377-E441 HydrophobicContact CE1-CG 4.21Å; Y377-E441 WeakPolarHBondContact CE1-OE2 3.48Å; Y377-E441 PolarHBondContact OH-OE1 3.26Å; Y377-E441 PolarHBondContact OH-OE2 3.47Å; F393-E441 WeakPolarHBondContact CZ-OE1 3.16Å; R437-E441 PolarHBondContact O-N 3.38Å; R437-E441 VanDerWaalsContact O-N 3.13Å; A438-E441 PolarHBondContact O-N 3Å; K439-E441 VanDerWaalsContact C-N 3.31Å; E441-R443 PolarHBondContact O-N 3.26Å; E441-L444 HydrophobicContact CB-CD1 4.37Å; E441-L444 HydrophobicContact CG-CD1 4.45Å; E441-L444 PolarHBondContact O-N 3.37Å | ||
| 442 | T | 56.1 | Low | 60.5 | Low | 94 Ų | 94 | 95.3 Ų | 95.3 | 58% | 0.577 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.3 | -29.5 | -175.5 | -22 | 0 | 0 | 0 | 0 | 113.5 | S440 L444 K445 | S440-T442 PolarHBondContact O-N 3.46Å; T442-L444 PolarHBondContact O-N 2.86Å; T442-L444 VanDerWaalsContact O-N 3.17Å; T442-K445 PolarHBondContact O-N 2.78Å; T442-K445 VanDerWaalsContact O-N 3.09Å |
| 443 | R | 60.3 | Low | 58.4 | Low | 153 Ų | 153 | 97.2 Ų | 97.2 | 58% | 0.577 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.5 | -33.4 | -178.9 | -72.3 | -178.4 | 169.1 | -175.4 | -3.2 | 112.5 | E441 L447 | E441-R443 PolarHBondContact O-N 3.26Å; R443-L447 VanDerWaalsContact O-CD1 3.25Å; R443-L447 WeakPolarHBondContact O-CD1 3.35Å; R443-L447 VanDerWaalsContact O-CG 3.22Å; R443-L447 WeakPolarHBondContact O-CG 2.99Å; R443-L447 PolarHBondContact O-N 2.88Å |
| 444 | L | 56.5 | Low | 56.4 | Low | 34 Ų | 34 | 93.1 Ų | 93.1 | 18% | 0.178 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -75.8 | -27.8 | -179.6 | -73.3 | 164.7 | 0 | 0 | 0 | 114 | F245 Y377 E441 T442 N446 L447 | F245-L444 HydrophobicContact CD1-CD2 3.57Å; F245-L444 HydrophobicContact CE1-CD2 3.75Å; F245-L444 HydrophobicContact CG-CD2 4.08Å; F245-L444 HydrophobicContact CZ-CD2 4.39Å; Y377-L444 HydrophobicContact CD1-CD1 3.07Å; Y377-L444 HydrophobicContact CD1-CG 4.5Å; Y377-L444 HydrophobicContact CD2-CD1 3.85Å; Y377-L444 HydrophobicContact CD2-CD2 4.48Å; Y377-L444 HydrophobicContact CE1-CD1 3.23Å; Y377-L444 HydrophobicContact CE1-CG 4.48Å; Y377-L444 HydrophobicContact CE2-CD1 3.93Å; Y377-L444 HydrophobicContact CG-CD1 3.37Å; E441-L444 HydrophobicContact CB-CD1 4.37Å; E441-L444 HydrophobicContact CG-CD1 4.45Å; E441-L444 PolarHBondContact O-N 3.37Å; T442-L444 PolarHBondContact O-N 2.86Å; T442-L444 VanDerWaalsContact O-N 3.17Å; L444-N446 PolarHBondContact O-N 3.17Å; L444-L447 HydrophobicContact CD2-CD1 4.27Å; L444-L447 PolarHBondContact O-N 3.37Å |
| 445 | K | 56 | Low | 54.3 | Low | 153 Ų | 153 | 100.7 Ų | 100.7 | 67% | 0.665 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.7 | -30.7 | 176.8 | -64.3 | -177.5 | -179.3 | 177.3 | 0 | 111.2 | T442 | T442-K445 PolarHBondContact O-N 2.78Å; T442-K445 VanDerWaalsContact O-N 3.09Å |
| 446 | N | 51.5 | Low | 52.2 | Low | 137 Ų | 137 | 104.7 Ų | 104.7 | 73% | 0.733 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -96.8 | -10.2 | -176.9 | -61.8 | -7.1 | 0 | 0 | 0 | 113.7 | L444 A448 | L444-N446 PolarHBondContact O-N 3.17Å; N446-A448 PolarHBondContact O-N 3.07Å |
| 447 | L | 49.8 | Very low | 49.9 | Very low | 83 Ų | 83 | 102.2 Ų | 102.2 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | trans | -83.1 | 18.7 | -179.1 | -84.2 | 162.5 | 0 | 0 | 0 | 113.4 | R443 L444 L449 | R443-L447 VanDerWaalsContact O-CD1 3.25Å; R443-L447 WeakPolarHBondContact O-CD1 3.35Å; R443-L447 VanDerWaalsContact O-CG 3.22Å; R443-L447 WeakPolarHBondContact O-CG 2.99Å; R443-L447 PolarHBondContact O-N 2.88Å; L444-L447 HydrophobicContact CD2-CD1 4.27Å; L444-L447 PolarHBondContact O-N 3.37Å; L447-L449 PolarHBondContact O-N 2.98Å | ||
| 448 | A | 42.8 | Very low | 47.8 | Very low | 62 Ų | 62 | 101.2 Ų | 101.2 | 51% | 0.512 | 53% | 0.53 | S | S | . | . | trans | -58.9 | 104.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | N446 H450 | N446-A448 PolarHBondContact O-N 3.07Å; A448-H450 PolarHBondContact O-N 2.83Å | ||
| 449 | L | 42.1 | Very low | 45.8 | Very low | 47 Ų | 47 | 105.4 Ų | 105.4 | 25% | 0.246 | 55% | 0.548 | C | S | . | . | trans | -46 | 114.6 | 159.9 | -76.2 | 166.2 | 0 | 0 | 0 | 105.1 | C246 Q250 T400 L404 L447 | C246-L449 HydrophobicContact CB-CD1 4.08Å; Q250-L449 PolarHBondContact NE2-O 3.22Å; T400-L449 HydrophobicContact CG2-CD2 4.45Å; L404-L449 HydrophobicContact CD1-CD1 3.73Å; L404-L449 HydrophobicContact CD1-CD2 3.47Å; L404-L449 VanDerWaalsContact CD1-CD2 3.47Å; L404-L449 HydrophobicContact CD1-CG 4.14Å; L447-L449 PolarHBondContact O-N 2.98Å | ||
| 450 | H | 32.5 | Very low | 43.4 | Very low | 169 Ų | 169 | 105.8 Ų | 105.8 | 78% | 0.782 | 55% | 0.545 | S | S | * | . | trans | -42.5 | 123.9 | 175.6 | -122.8 | -80.5 | 0 | 0 | 0 | 105.6 | A448 I452 | A448-H450 PolarHBondContact O-N 2.83Å; H450-I452 PolarHBondContact O-N 2.89Å | ||
| 451 | P | 33.3 | Very low | 41.4 | Very low | 72 Ų | 72 | 105.1 Ų | 105.1 | 47% | 0.468 | 54% | 0.541 | S | S | . | . | trans | -56.6 | 104.6 | 173.1 | 22.1 | -28.4 | 0 | 0 | 0 | 104.5 | N453 | P451-N453 PolarHBondContact O-N 3.25Š| ||
| 452 | I | 32.7 | Very low | 39.8 | Very low | 81 Ų | 81 | 112.2 Ų | 112.2 | 42% | 0.415 | 57% | 0.571 | S | S | . | * | trans | -48.8 | 131.4 | 159.5 | -66.9 | 170.9 | 0 | 0 | 0 | 102.9 | L404 H450 T454 | L404-I452 HydrophobicContact CB-CD1 3.62Å; L404-I452 WeakPolarHBondContact O-CD1 3.41Å; H450-I452 PolarHBondContact O-N 2.89Å; I452-T454 PolarHBondContact O-N 3.45Å; I452-T454 PolarHBondContact O-OG1 3.05Å | ||
| 453 | N | 29.5 | Very low | 38.8 | Very low | 147 Ų | 147 | 116.9 Ų | 116.9 | 79% | 0.786 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -61.7 | 67.9 | -176.5 | -72 | -23.7 | 0 | 0 | 0 | 110.8 | P451 F455 | P451-N453 PolarHBondContact O-N 3.25Å; N453-F455 VanDerWaalsContact C-N 3.26Å; N453-F455 PolarHBondContact O-N 3.11Å |
| 454 | T | 32.3 | Very low | 37.6 | Very low | 48 Ų | 48 | 116.8 Ų | 116.8 | 29% | 0.294 | 58% | 0.584 | S | S | . | * | trans | -94.4 | 19.1 | -177.6 | -31.9 | 0 | 0 | 0 | 0 | 110.9 | I452 | I452-T454 PolarHBondContact O-N 3.45Å; I452-T454 PolarHBondContact O-OG1 3.05Å | ||
| 455 | F | 28.9 | Very low | 36.8 | Very low | 165 Ų | 165 | 119.4 Ų | 119.4 | 72% | 0.724 | 60% | 0.598 | S | S | * | * | trans | -113.7 | 56.8 | 172.2 | -61.7 | -72.6 | 0 | 0 | 0 | 109.9 | N453 | N453-F455 VanDerWaalsContact C-N 3.26Å; N453-F455 PolarHBondContact O-N 3.11Å | ||
| 456 | T | 36.2 | Very low | 36.2 | Very low | 119 Ų | 119 | 116.3 Ų | 116.3 | 73% | 0.73 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -97.9 | -29.8 | 169.2 | 45.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 457 | E | 30.6 | Very low | 35.8 | Very low | 138 Ų | 138 | 112.4 Ų | 112.4 | 65% | 0.645 | 58% | 0.582 | S | S | * | * | trans | -142.8 | 114.6 | 177.2 | -71.2 | -172 | 159.9 | 0 | 0 | 113.9 | I459 | E457-I459 PolarHBondContact O-N 2.86Š| ||
| 458 | V | 32.4 | Very low | 35.3 | Very low | 121 Ų | 121 | 112.1 Ų | 112.1 | 73% | 0.733 | 59% | 0.588 | S | S | * | * | trans | -77.7 | 97.1 | 164.4 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | R460 | V458-R460 VanDerWaalsContact C-N 3.3Å; V458-R460 HydrophobicContact CG1-CG 3.73Å; V458-R460 PolarHBondContact O-N 2.85Å | ||
| 459 | I | 34.3 | Very low | 34.9 | Very low | 108 Ų | 108 | 113.5 Ų | 113.5 | 55% | 0.554 | 59% | 0.593 | S | S | * | * | trans | -73.7 | 91.1 | 165.9 | -57.9 | -175.6 | 0 | 0 | 0 | 107.4 | H409 E457 | H409-I459 WeakPolarHBondContact CE1-CD1 3.41Å; H409-I459 WeakPolarHBondContact ND1-CD1 3.23Å; E457-I459 PolarHBondContact O-N 2.86Å | ||
| 460 | R | 28.2 | Very low | 34.5 | Very low | 172 Ų | 172 | 121.6 Ų | 121.6 | 65% | 0.649 | 62% | 0.621 | S | S | * | * | trans | -69.2 | 137 | 166.2 | -67 | -172.4 | 179.1 | -177.7 | 0.2 | 108.4 | V458 K462 | V458-R460 VanDerWaalsContact C-N 3.3Å; V458-R460 HydrophobicContact CG1-CG 3.73Å; V458-R460 PolarHBondContact O-N 2.85Å; R460-K462 PolarHBondContact O-N 2.98Å | ||
| 461 | S | 31.4 | Very low | 34.4 | Very low | 68 Ų | 68 | 122 Ų | 122 | 48% | 0.476 | 62% | 0.623 | S | S | . | * | trans | -65.8 | 132.7 | 168.1 | 74.4 | 0 | 0 | 0 | 0 | 108.4 | F463 Y464 | S461-F463 PolarHBondContact O-N 3.47Å; S461-Y464 PolarHBondContact O-N 3.17Å | ||
| 462 | K | 37.8 | Very low | 34.3 | Very low | 186 Ų | 186 | 127.9 Ų | 127.9 | 81% | 0.809 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -10.2 | 177.7 | -73.4 | -175.4 | 175.2 | -179.1 | 0 | 113.9 | R460 Y464 | R460-K462 PolarHBondContact O-N 2.98Å; K462-Y464 VanDerWaalsContact C-N 3.27Å; K462-Y464 PolarHBondContact O-N 3.4Å |
| 463 | F | 36.4 | Very low | 34.1 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -23.9 | 173.6 | -97.9 | -85.4 | 0 | 0 | 0 | 113.5 | S461 | S461-F463 PolarHBondContact O-N 3.47Š|
| 464 | Y | 34.5 | Very low | 34.1 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 60% | 0.596 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -100.9 | -7.1 | 179.1 | -86.5 | -82.3 | 0 | 0 | 0 | 115.4 | S461 K462 S466 A467 | S461-Y464 PolarHBondContact O-N 3.17Å; K462-Y464 VanDerWaalsContact C-N 3.27Å; K462-Y464 PolarHBondContact O-N 3.4Å; Y464-S466 PolarHBondContact O-N 3.46Å; Y464-A467 HydrophobicContact CD1-CB 3.96Å; Y464-A467 PolarHBondContact O-N 3.25Å |
| 465 | D | 39.8 | Very low | 34 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 47% | 0.471 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -24 | 170.9 | -80.2 | -23.5 | 0 | 0 | 0 | 111.9 | A467 S468 | D465-A467 VanDerWaalsContact C-N 3.34Å; D465-A467 PolarHBondContact O-N 3.45Å; D465-S468 PolarHBondContact O-OG 2.89Å |
| 466 | S | 44 | Very low | 34 | Very low | 88 Ų | 88 | 145.7 Ų | 145.7 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -27.7 | 172.8 | -175.6 | 0 | 0 | 0 | 0 | 113.2 | Y464 | Y464-S466 PolarHBondContact O-N 3.46Š|
| 467 | A | 42.7 | Very low | 33.6 | Very low | 55 Ų | 55 | 144.6 Ų | 144.6 | 46% | 0.455 | 71% | 0.707 | S | S | . | * | G | 310 helix | trans | -80.5 | -26.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y464 D465 S469 | Y464-A467 HydrophobicContact CD1-CB 3.96Å; Y464-A467 PolarHBondContact O-N 3.25Å; D465-A467 VanDerWaalsContact C-N 3.34Å; D465-A467 PolarHBondContact O-N 3.45Å; A467-S469 VanDerWaalsContact C-N 3.28Å; A467-S469 PolarHBondContact O-N 3.49Å |
| 468 | S | 39.3 | Very low | 33.7 | Very low | 78 Ų | 78 | 144.2 Ų | 144.2 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | G | 310 helix | trans | -79.6 | -3.7 | 177.5 | 42.7 | 0 | 0 | 0 | 0 | 114.8 | D465 W470 | D465-S468 PolarHBondContact O-OG 2.89Å; S468-W470 VanDerWaalsContact C-N 3.28Å; S468-W470 PolarHBondContact O-N 3.02Å |
| 469 | S | 33.3 | Very low | 33.8 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -76.4 | -13 | 173.1 | 179.6 | 0 | 0 | 0 | 0 | 113.2 | A467 H471 | A467-S469 VanDerWaalsContact C-N 3.28Å; A467-S469 PolarHBondContact O-N 3.49Å; S469-H471 PolarHBondContact O-N 3.43Å |
| 470 | W | 33.8 | Very low | 33.8 | Very low | 218 Ų | 218 | 145.3 Ų | 145.3 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -76.3 | 3.3 | -170.8 | -79.2 | 41.4 | 0 | 0 | 0 | 115.5 | S468 | S468-W470 VanDerWaalsContact C-N 3.28Å; S468-W470 PolarHBondContact O-N 3.02Å |
| 471 | H | 32 | Very low | 34.1 | Very low | 177 Ų | 177 | 142 Ų | 142 | 82% | 0.819 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -124.6 | 62.6 | 172.8 | -66.8 | -54.9 | 0 | 0 | 0 | 112.1 | S469 | S469-H471 PolarHBondContact O-N 3.43Š|
| 472 | K | 31.5 | Very low | 34.7 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 176.7 | 96.9 | 145.2 | -100 | 161.6 | -174.9 | 179.2 | 0 | 111.5 | ||
| 473 | K | 28.4 | Very low | 34.9 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | 173 | 100.3 | 122.1 | -97 | 170.2 | 179.1 | 171.5 | 0 | 109.7 | K475 | K473-K475 PolarHBondContact O-N 2.99Š| |||
| 474 | K | 27.8 | Very low | 35.1 | Very low | 216 Ų | 216 | 139.6 Ų | 139.6 | 94% | 0.939 | 74% | 0.742 | S | S | * | * | trans | -67.4 | 107.8 | 152.4 | -81.6 | 177.8 | 172.4 | 175 | 0 | 107.3 | ||||
| 475 | K | 31.8 | Very low | 35.5 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | trans | -137 | 134.3 | 153.2 | -80.1 | -163.3 | 175.8 | -175.5 | 0 | 108.7 | K473 | K473-K475 PolarHBondContact O-N 2.99Š| ||
| 476 | K | 28.4 | Very low | 35.9 | Very low | 211 Ų | 211 | 137.4 Ų | 137.4 | 92% | 0.917 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 148.5 | -169.8 | -72.3 | 174.4 | 169.7 | 179.7 | 0 | 112.6 | ||
| 477 | A | 28.1 | Very low | 36.1 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 149.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 478 | P | 33 | Very low | 36 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 140.8 | 151.5 | 11.3 | 7.6 | 0 | 0 | 0 | 110.5 | ||
| 479 | A | 33.4 | Very low | 36.7 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -96.2 | 96.3 | -177 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 480 | D | 33.5 | Very low | 37.9 | Very low | 148 Ų | 148 | 152.8 Ų | 152.8 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -172.1 | 104.9 | 148.2 | -144.5 | -4.2 | 0 | 0 | 0 | 110.5 | ||||
| 481 | S | 34.6 | Very low | 38.9 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 170.9 | 70.9 | 163.2 | 38.5 | 0 | 0 | 0 | 0 | 109.7 | E483 | S481-E483 VanDerWaalsContact C-N 3.32Å; S481-E483 PolarHBondContact O-N 3.24Å | ||
| 482 | S | 43.8 | Very low | 40.3 | Very low | 105 Ų | 105 | 148 Ų | 148 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 3.6 | -176.2 | 41.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 483 | E | 42.7 | Very low | 41.6 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -13.5 | -176.5 | -67.8 | -175.1 | 166.3 | 0 | 0 | 114.9 | S481 | S481-E483 VanDerWaalsContact C-N 3.32Å; S481-E483 PolarHBondContact O-N 3.24Å |
| 484 | V | 41.8 | Very low | 43.3 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 61% | 0.606 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -96.4 | 0.7 | 177.5 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | D486 | V484-D486 PolarHBondContact O-N 2.72Š|
| 485 | A | 41.2 | Very low | 45.2 | Very low | 47 Ų | 47 | 130.2 Ų | 130.2 | 39% | 0.388 | 72% | 0.724 | S | S | . | * | G | 310 helix | trans | -72.5 | -22.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E487 Y488 F489 | A485-E487 VanDerWaalsContact C-N 3.31Å; A485-E487 PolarHBondContact O-N 2.95Å; A485-Y488 PolarHBondContact O-N 2.75Å; A485-F489 WeakPolarHBondContact O-CB 3.43Å; A485-F489 PolarHBondContact O-N 2.76Å |
| 486 | D | 48.6 | Very low | 46.6 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -72.1 | -21.2 | -176.7 | -76 | -14.3 | 0 | 0 | 0 | 113.7 | V484 | V484-D486 PolarHBondContact O-N 2.72Š|
| 487 | E | 48.8 | Very low | 48.4 | Very low | 168 Ų | 168 | 119.1 Ų | 119.1 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -79.5 | -18.4 | 175.3 | -72.4 | -167.2 | 161.3 | 0 | 0 | 113.3 | A485 | A485-E487 VanDerWaalsContact C-N 3.31Å; A485-E487 PolarHBondContact O-N 2.95Å |
| 488 | Y | 40.4 | Very low | 49.7 | Very low | 195 Ų | 195 | 121.5 Ų | 121.5 | 77% | 0.765 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | -9.9 | -176.7 | -67.3 | -84.1 | 0 | 0 | 0 | 114.1 | A485 V490 | A485-Y488 PolarHBondContact O-N 2.75Å; Y488-V490 PolarHBondContact O-N 2.96Å |
| 489 | F | 53.8 | Low | 51 | Low | 140 Ų | 140 | 118.5 Ų | 118.5 | 61% | 0.614 | 66% | 0.66 | S | S | * | * | trans | -88 | 103.9 | 177.4 | -173.5 | -107.5 | 0 | 0 | 0 | 110.4 | A485 P491 | A485-F489 WeakPolarHBondContact O-CB 3.43Å; A485-F489 PolarHBondContact O-N 2.76Å; F489-P491 HydrophobicContact CE1-CB 4.2Å; F489-P491 WeakPolarHBondContact O-CD 3.36Å | ||
| 490 | V | 58 | Low | 51.8 | Low | 131 Ų | 131 | 119.8 Ų | 119.8 | 79% | 0.794 | 65% | 0.648 | S | S | * | * | trans | -79.4 | 107.8 | 168.3 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | Y488 | Y488-V490 PolarHBondContact O-N 2.96Š| ||
| 491 | P | 55.8 | Low | 52.6 | Low | 67 Ų | 67 | 118.3 Ų | 118.3 | 44% | 0.435 | 64% | 0.636 | S | S | . | * | trans | -62.7 | 147.2 | 178.9 | 26.5 | -34.2 | 0 | 0 | 0 | 110.3 | F489 A493 | F489-P491 HydrophobicContact CE1-CB 4.2Å; F489-P491 WeakPolarHBondContact O-CD 3.36Å; P491-A493 WeakPolarHBondContact CG-O 3.48Å; P491-A493 PolarHBondContact O-N 3.04Å | ||
| 492 | F | 60.8 | Low | 53.2 | Low | 226 Ų | 226 | 116.6 Ų | 116.6 | 99% | 0.991 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -60.6 | -20.4 | -177.5 | -157.8 | -92.2 | 0 | 0 | 0 | 113.1 | ||
| 493 | A | 58.1 | Low | 53.3 | Low | 44 Ų | 44 | 120.6 Ų | 120.6 | 36% | 0.364 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -124.8 | 135.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | P491 L497 | P491-A493 WeakPolarHBondContact CG-O 3.48Å; P491-A493 PolarHBondContact O-N 3.04Å; A493-L497 HydrophobicContact CB-CD2 3.92Å |
| 494 | P | 66.1 | Low | 53.3 | Low | 88 Ų | 88 | 118.2 Ų | 118.2 | 57% | 0.571 | 63% | 0.626 | S | S | * | * | trans | -62.1 | 142.4 | 172 | 24.5 | -30.3 | 0 | 0 | 0 | 110.1 | D496 L497 | P494-D496 PolarHBondContact O-N 2.87Å; P494-L497 HydrophobicContact CG-CB 4.35Å; P494-L497 VanDerWaalsContact O-CB 3.27Å; P494-L497 WeakPolarHBondContact O-CB 3.29Å; P494-L497 PolarHBondContact O-N 3.33Å | ||
| 495 | S | 65.7 | Low | 53.1 | Low | 103 Ų | 103 | 118 Ų | 118 | 72% | 0.72 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -29.6 | 179.2 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | L497 | S495-L497 VanDerWaalsContact C-N 3.32Å; S495-L497 PolarHBondContact O-N 2.9Å |
| 496 | D | 62.8 | Low | 52.6 | Low | 99 Ų | 99 | 125.1 Ų | 125.1 | 53% | 0.529 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.4 | 8.4 | -176.2 | -59.2 | -11 | 0 | 0 | 0 | 113.3 | P494 H498 S499 E500 | P494-D496 PolarHBondContact O-N 2.87Å; D496-H498 VanDerWaalsContact C-N 3.25Å; D496-H498 PolarHBondContact O-N 3.12Å; D496-S499 WeakPolarHBondContact O-CA 3.4Å; D496-S499 WeakPolarHBondContact O-CB 3.41Å; D496-S499 PolarHBondContact O-N 2.89Å; D496-S499 PolarHBondContact O-OG 3.35Å; D496-E500 PolarHBondContact O-N 2.88Å |
| 497 | L | 66.4 | Low | 52.2 | Low | 71 Ų | 71 | 124.3 Ų | 124.3 | 37% | 0.372 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -56.5 | -38.8 | -179.1 | -173.1 | 69.2 | 0 | 0 | 0 | 112.2 | A493 P494 S495 S499 E500 Q501 | A493-L497 HydrophobicContact CB-CD2 3.92Å; P494-L497 HydrophobicContact CG-CB 4.35Å; P494-L497 VanDerWaalsContact O-CB 3.27Å; P494-L497 WeakPolarHBondContact O-CB 3.29Å; P494-L497 PolarHBondContact O-N 3.33Å; S495-L497 VanDerWaalsContact C-N 3.32Å; S495-L497 PolarHBondContact O-N 2.9Å; L497-S499 VanDerWaalsContact C-N 3.33Å; L497-E500 PolarHBondContact O-N 3.27Å; L497-Q501 WeakPolarHBondContact O-CG 3.43Å; L497-Q501 PolarHBondContact O-N 2.94Å |
| 498 | H | 54 | Low | 51.4 | Low | 147 Ų | 147 | 123.2 Ų | 123.2 | 68% | 0.681 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.2 | -34.2 | 175.7 | -61 | 103 | 0 | 0 | 0 | 112.4 | D496 Q501 G502 | D496-H498 VanDerWaalsContact C-N 3.25Å; D496-H498 PolarHBondContact O-N 3.12Å; H498-Q501 PolarHBondContact O-N 3.38Å; H498-G502 PolarHBondContact O-N 2.87Å |
| 499 | S | 61.5 | Low | 50.8 | Low | 66 Ų | 66 | 121.8 Ų | 121.8 | 46% | 0.462 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -65.9 | -41.6 | 175.9 | -39.6 | 0 | 0 | 0 | 0 | 111 | D496 L497 G502 Y503 | D496-S499 WeakPolarHBondContact O-CA 3.4Å; D496-S499 WeakPolarHBondContact O-CB 3.41Å; D496-S499 PolarHBondContact O-N 2.89Å; D496-S499 PolarHBondContact O-OG 3.35Å; L497-S499 VanDerWaalsContact C-N 3.33Å; S499-G502 PolarHBondContact O-N 3.33Å; S499-Y503 WeakPolarHBondContact O-CD2 3.31Å |
| 500 | E | 49.4 | Very low | 49.8 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.6 | -37 | 177.2 | -73.9 | -78.8 | 158.9 | 0 | 0 | 112.3 | D496 L497 G502 Y503 | D496-E500 PolarHBondContact O-N 2.88Å; L497-E500 PolarHBondContact O-N 3.27Å; E500-G502 PolarHBondContact O-N 3.49Å; E500-Y503 PolarHBondContact O-N 2.87Å; E500-Y503 VanDerWaalsContact O-N 3.08Å |
| 501 | Q | 51.3 | Low | 48.9 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 54% | 0.542 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -58.8 | -35.5 | 173.7 | -78.6 | 174.4 | -12.4 | 0 | 0 | 112.2 | L497 H498 Y503 M504 | L497-Q501 WeakPolarHBondContact O-CG 3.43Å; L497-Q501 PolarHBondContact O-N 2.94Å; H498-Q501 PolarHBondContact O-N 3.38Å; Q501-Y503 VanDerWaalsContact C-N 3.26Å; Q501-Y503 PolarHBondContact O-N 3.2Å; Q501-M504 PolarHBondContact O-N 3.38Å |
| 502 | G | 45.5 | Very low | 47.9 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -17.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H498 S499 E500 | H498-G502 PolarHBondContact O-N 2.87Å; S499-G502 PolarHBondContact O-N 3.33Å; E500-G502 PolarHBondContact O-N 3.49Å |
| 503 | Y | 46.4 | Very low | 46.8 | Very low | 189 Ų | 189 | 123.6 Ų | 123.6 | 74% | 0.741 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -4.6 | 176.9 | -72.7 | -74 | 0 | 0 | 0 | 113.7 | S499 E500 Q501 | S499-Y503 WeakPolarHBondContact O-CD2 3.31Å; E500-Y503 PolarHBondContact O-N 2.87Å; E500-Y503 VanDerWaalsContact O-N 3.08Å; Q501-Y503 VanDerWaalsContact C-N 3.26Å; Q501-Y503 PolarHBondContact O-N 3.2Å |
| 504 | M | 42.3 | Very low | 46.2 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -79.8 | 126.5 | 171.9 | -58.8 | -136.6 | 91.3 | 0 | 0 | 108.8 | Q501 F506 | Q501-M504 PolarHBondContact O-N 3.38Å; M504-F506 PolarHBondContact O-N 3.48Å |
| 505 | P | 38.4 | Very low | 45.2 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 61% | 0.61 | 69% | 0.689 | S | S | * | * | trans | -59.8 | 130.1 | -178.5 | 26.1 | -32.6 | 0 | 0 | 0 | 109 | V507 | P505-V507 PolarHBondContact O-N 2.88Š| ||
| 506 | F | 31.6 | Very low | 44.6 | Very low | 198 Ų | 198 | 132 Ų | 132 | 87% | 0.868 | 69% | 0.691 | S | S | * | * | trans | -44.9 | 94.4 | 179.4 | -136.9 | -99 | 0 | 0 | 0 | 111.3 | M504 | M504-F506 PolarHBondContact O-N 3.48Š| ||
| 507 | V | 39 | Very low | 44.2 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | trans | -119.7 | 104.5 | 163.1 | -76.7 | 0 | 0 | 0 | 0 | 106.6 | P505 | P505-V507 PolarHBondContact O-N 2.88Š| ||
| 508 | N | 32.2 | Very low | 43.8 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | trans | 26.4 | 101 | 171.6 | -72 | -16.2 | 0 | 0 | 0 | 118.5 | S510 | N508-S510 PolarHBondContact O-N 3.48Š| ||
| 509 | L | 27.5 | Very low | 44.1 | Very low | 166 Ų | 166 | 127 Ų | 127 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | -6.1 | 89.9 | 141.6 | -158 | 81.4 | 0 | 0 | 0 | 115.6 | ||||
| 510 | S | 32.7 | Very low | 44.1 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 77% | 0.769 | 68% | 0.682 | S | S | * | * | trans | -153.9 | 138.4 | 150.6 | 51.2 | 0 | 0 | 0 | 0 | 108.9 | N508 D512 | N508-S510 PolarHBondContact O-N 3.48Å; S510-D512 PolarHBondContact O-N 3.31Å | ||
| 511 | V | 40.3 | Very low | 44.7 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | trans | -84.3 | 5.7 | -150.1 | 164.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 512 | D | 34 | Very low | 45.1 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | trans | -114.2 | 104.2 | -172.1 | -77.8 | -46.2 | 0 | 0 | 0 | 115.8 | S510 | S510-D512 PolarHBondContact O-N 3.31Š| ||
| 513 | R | 37.4 | Very low | 45.9 | Very low | 219 Ų | 219 | 124.4 Ų | 124.4 | 83% | 0.826 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 37.5 | 99.5 | 138.1 | -62.1 | 178.8 | 177.5 | -173.7 | -0.5 | 116.8 | S515 | R513-S515 WeakPolarHBondContact O-CA 3.42Å; R513-S515 WeakPolarHBondContact O-CB 3.11Å; R513-S515 PolarHBondContact O-N 3.08Å |
| 514 | N | 45.7 | Very low | 46.9 | Very low | 175 Ų | 175 | 119 Ų | 119 | 94% | 0.936 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 26.8 | 27.7 | 144.8 | -75 | 16.7 | 0 | 0 | 0 | 119.7 | ||
| 515 | S | 46 | Very low | 47.7 | Very low | 63 Ų | 63 | 116.7 Ų | 116.7 | 44% | 0.441 | 66% | 0.658 | S | S | . | * | trans | -80.4 | 137 | -166.9 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | R513 A517 A518 | R513-S515 WeakPolarHBondContact O-CA 3.42Å; R513-S515 WeakPolarHBondContact O-CB 3.11Å; R513-S515 PolarHBondContact O-N 3.08Å; S515-A517 PolarHBondContact O-N 3.24Å; S515-A517 PolarHBondContact OG-N 3.39Å; S515-A518 PolarHBondContact O-N 3.32Å | ||
| 516 | F | 53.2 | Low | 48.7 | Very low | 173 Ų | 173 | 117.2 Ų | 117.2 | 76% | 0.759 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -37.8 | -31.3 | 165.3 | 173.1 | -99.7 | 0 | 0 | 0 | 112.7 | A518 T519 A520 | F516-A518 PolarHBondContact O-N 3.31Å; F516-T519 CarbonylContact O-C 3.57Å; F516-T519 WeakPolarHBondContact O-CB 3.12Å; F516-T519 PolarHBondContact O-N 2.95Å; F516-T519 VanDerWaalsContact O-N 3.13Å; F516-A520 HydrophobicContact CE1-CB 4.31Å; F516-A520 WeakPolarHBondContact O-CB 3.49Å; F516-A520 PolarHBondContact O-N 3.47Å |
| 517 | A | 53.8 | Low | 50 | Low | 54 Ų | 54 | 116.8 Ų | 116.8 | 45% | 0.446 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -51.8 | -47.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S515 T519 A520 E521 | S515-A517 PolarHBondContact O-N 3.24Å; S515-A517 PolarHBondContact OG-N 3.39Å; A517-T519 VanDerWaalsContact C-N 3.3Å; A517-T519 PolarHBondContact O-N 3Å; A517-A520 WeakPolarHBondContact O-CB 3.38Å; A517-A520 PolarHBondContact O-N 3.37Å; A517-E521 PolarHBondContact O-N 2.93Å |
| 518 | A | 57.7 | Low | 50.9 | Low | 64 Ų | 64 | 117.9 Ų | 117.9 | 53% | 0.529 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -69.3 | -31.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S515 F516 S522 | S515-A518 PolarHBondContact O-N 3.32Å; F516-A518 PolarHBondContact O-N 3.31Å; A518-S522 PolarHBondContact O-N 2.94Å |
| 519 | T | 60.6 | Low | 51.9 | Low | 94 Ų | 94 | 114.9 Ų | 114.9 | 58% | 0.577 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.6 | -39.6 | 173.3 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | F516 A517 S522 A523 | F516-T519 CarbonylContact O-C 3.57Å; F516-T519 WeakPolarHBondContact O-CB 3.12Å; F516-T519 PolarHBondContact O-N 2.95Å; F516-T519 VanDerWaalsContact O-N 3.13Å; A517-T519 VanDerWaalsContact C-N 3.3Å; A517-T519 PolarHBondContact O-N 3Å; T519-S522 PolarHBondContact O-N 3.09Å; T519-S522 PolarHBondContact O-OG 3.11Å; T519-A523 WeakPolarHBondContact O-CB 3.32Å; T519-A523 PolarHBondContact O-N 3.43Å; T519-A523 VanDerWaalsContact O-N 3.1Å |
| 520 | A | 60.8 | Low | 53.3 | Low | 36 Ų | 36 | 114.7 Ų | 114.7 | 30% | 0.298 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.3 | -46.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F516 A517 S522 A523 V524 | F516-A520 HydrophobicContact CE1-CB 4.31Å; F516-A520 WeakPolarHBondContact O-CB 3.49Å; F516-A520 PolarHBondContact O-N 3.47Å; A517-A520 WeakPolarHBondContact O-CB 3.38Å; A517-A520 PolarHBondContact O-N 3.37Å; A520-S522 VanDerWaalsContact C-N 3.3Å; A520-S522 PolarHBondContact O-N 2.95Å; A520-A523 CarbonylContact O-C 3.49Å; A520-A523 WeakPolarHBondContact O-CA 3.47Å; A520-A523 PolarHBondContact O-N 3.37Å; A520-V524 WeakPolarHBondContact O-CG2 3.45Å; A520-V524 PolarHBondContact O-N 3.2Å |
| 521 | E | 62.8 | Low | 54.5 | Low | 152 Ų | 152 | 114.9 Ų | 114.9 | 71% | 0.71 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -56 | -44 | 173.2 | -84.4 | -174.5 | 159.3 | 0 | 0 | 111.8 | A517 A523 V524 | A517-E521 PolarHBondContact O-N 2.93Å; E521-A523 PolarHBondContact O-N 3.45Å; E521-V524 PolarHBondContact O-N 3.46Å |
| 522 | S | 59.7 | Low | 55.4 | Low | 74 Ų | 74 | 111.2 Ų | 111.2 | 52% | 0.517 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.5 | -22.6 | 177.5 | 77.7 | 0 | 0 | 0 | 0 | 113.9 | A518 T519 A520 | A518-S522 PolarHBondContact O-N 2.94Å; T519-S522 PolarHBondContact O-N 3.09Å; T519-S522 PolarHBondContact O-OG 3.11Å; A520-S522 VanDerWaalsContact C-N 3.3Å; A520-S522 PolarHBondContact O-N 2.95Å |
| 523 | A | 62.8 | Low | 56.6 | Low | 66 Ų | 66 | 113 Ų | 113 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -93.1 | -8.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T519 A520 E521 V525 | T519-A523 WeakPolarHBondContact O-CB 3.32Å; T519-A523 PolarHBondContact O-N 3.43Å; T519-A523 VanDerWaalsContact O-N 3.1Å; A520-A523 CarbonylContact O-C 3.49Å; A520-A523 WeakPolarHBondContact O-CA 3.47Å; A520-A523 PolarHBondContact O-N 3.37Å; E521-A523 PolarHBondContact O-N 3.45Å; A523-V525 PolarHBondContact O-N 3.34Å |
| 524 | V | 66.6 | Low | 57.6 | Low | 76 Ų | 76 | 106.3 Ų | 106.3 | 46% | 0.461 | 60% | 0.596 | S | S | . | * | trans | -60.7 | 121.9 | 170.3 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | A520 E521 R538 | A520-V524 WeakPolarHBondContact O-CG2 3.45Å; A520-V524 PolarHBondContact O-N 3.2Å; E521-V524 PolarHBondContact O-N 3.46Å; V524-R538 PolarHBondContact O-NH2 3.06Å | ||
| 525 | V | 59.7 | Low | 58.2 | Low | 89 Ų | 89 | 103.4 Ų | 103.4 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | trans | -98 | 100.2 | 173.7 | 179.2 | 0 | 0 | 0 | 0 | 106 | A523 F527 | A523-V525 PolarHBondContact O-N 3.34Å; V525-F527 HydrophobicContact CG1-CE1 4.21Å; V525-F527 HydrophobicContact CG1-CE2 4.38Å; V525-F527 HydrophobicContact CG1-CZ 4.15Å; V525-F527 WeakPolarHBondContact O-CD2 3.32Å; V525-F527 PolarHBondContact O-N 2.85Å | ||
| 526 | D | 59.4 | Low | 58.7 | Low | 105 Ų | 105 | 109.3 Ų | 109.3 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | trans | -75.5 | 119.3 | 168.5 | -90.4 | -32 | 0 | 0 | 0 | 108.8 | L528 | D526-L528 PolarHBondContact O-N 3.49Š| ||
| 527 | F | 58.7 | Low | 58.9 | Low | 189 Ų | 189 | 103.6 Ų | 103.6 | 83% | 0.829 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 3 | 179.5 | -67.9 | -83.8 | 0 | 0 | 0 | 113.2 | V525 | V525-F527 HydrophobicContact CG1-CE1 4.21Å; V525-F527 HydrophobicContact CG1-CE2 4.38Å; V525-F527 HydrophobicContact CG1-CZ 4.15Å; V525-F527 WeakPolarHBondContact O-CD2 3.32Å; V525-F527 PolarHBondContact O-N 2.85Å |
| 528 | L | 57.8 | Low | 59.1 | Low | 154 Ų | 154 | 105.6 Ų | 105.6 | 81% | 0.806 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -0.2 | -175.8 | -65 | 175.9 | 0 | 0 | 0 | 114.1 | D526 D530 | D526-L528 PolarHBondContact O-N 3.49Å; L528-D530 PolarHBondContact O-N 3.3Å; L528-D530 VanDerWaalsContact O-N 3.1Å |
| 529 | D | 52.4 | Low | 59.2 | Low | 82 Ų | 82 | 107.8 Ų | 107.8 | 44% | 0.439 | 58% | 0.576 | S | S | . | * | trans | -78.7 | 93.1 | 176.7 | -88.4 | -17 | 0 | 0 | 0 | 110.6 | D531 | D529-D531 PolarHBondContact O-N 2.95Š| ||
| 530 | D | 56.9 | Low | 59.2 | Low | 162 Ų | 162 | 109.3 Ų | 109.3 | 87% | 0.866 | 58% | 0.58 | S | S | * | * | trans | -76 | -0.1 | 177.2 | -93.7 | -21.5 | 0 | 0 | 0 | 114.2 | L528 | L528-D530 PolarHBondContact O-N 3.3Å; L528-D530 VanDerWaalsContact O-N 3.1Å | ||
| 531 | D | 59 | Low | 59.3 | Low | 113 Ų | 113 | 114.1 Ų | 114.1 | 60% | 0.604 | 59% | 0.591 | S | S | * | * | trans | -92.6 | 107 | 178.6 | -88.5 | -35.2 | 0 | 0 | 0 | 112.6 | D529 K533 D534 | D529-D531 PolarHBondContact O-N 2.95Å; D531-K533 PolarHBondContact O-N 2.92Å; D531-D534 PolarHBondContact O-N 3.02Å | ||
| 532 | A | 59.6 | Low | 59.8 | Low | 59 Ų | 59 | 113 Ų | 113 | 49% | 0.488 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -54.5 | -14 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | R536 | A532-R536 WeakPolarHBondContact O-CG 3.28Å; A532-R536 PolarHBondContact O-N 3.44Å |
| 533 | K | 59.1 | Low | 60.2 | Low | 174 Ų | 174 | 116.9 Ų | 116.9 | 76% | 0.757 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.2 | -38.3 | 176.6 | -135.3 | 176.8 | -174.4 | 178.2 | 0 | 111.8 | D531 R536 A537 | D531-K533 PolarHBondContact O-N 2.92Å; K533-R536 PolarHBondContact O-N 3.33Å; K533-A537 PolarHBondContact O-N 3.28Å |
| 534 | D | 58.3 | Low | 60.9 | Low | 78 Ų | 78 | 119.6 Ų | 119.6 | 42% | 0.417 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -79.4 | -30.5 | -176.6 | -70.5 | -37 | 0 | 0 | 0 | 112.5 | D531 A537 R538 | D531-D534 PolarHBondContact O-N 3.02Å; D534-A537 PolarHBondContact O-N 2.86Å; D534-R538 PolarHBondContact O-N 2.99Å |
| 535 | I | 58.6 | Low | 61.2 | Low | 114 Ų | 114 | 118.4 Ų | 118.4 | 59% | 0.585 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.4 | -44.9 | 169.6 | -59 | 175.8 | 0 | 0 | 0 | 110.7 | A537 R538 D539 | I535-A537 VanDerWaalsContact C-N 3.34Å; I535-A537 PolarHBondContact O-N 3.25Å; I535-R538 WeakPolarHBondContact O-CB 3.48Å; I535-R538 PolarHBondContact O-N 2.88Å; I535-D539 PolarHBondContact O-N 3.45Å; I535-D539 VanDerWaalsContact O-N 3.16Å |
| 536 | R | 55.4 | Low | 61.5 | Low | 188 Ų | 188 | 124.3 Ų | 124.3 | 71% | 0.709 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.2 | -33.3 | 176.7 | -72.8 | 178 | -177.6 | 163.8 | 3.6 | 112.8 | A532 K533 D539 N540 | A532-R536 WeakPolarHBondContact O-CG 3.28Å; A532-R536 PolarHBondContact O-N 3.44Å; K533-R536 PolarHBondContact O-N 3.33Å; R536-D539 PolarHBondContact O-N 3.03Å; R536-N540 PolarHBondContact O-N 3.41Å |
| 537 | A | 58.3 | Low | 62 | Low | 52 Ų | 52 | 128.8 Ų | 128.8 | 43% | 0.43 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.6 | -33.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | K533 D534 I535 | K533-A537 PolarHBondContact O-N 3.28Å; D534-A537 PolarHBondContact O-N 2.86Å; I535-A537 VanDerWaalsContact C-N 3.34Å; I535-A537 PolarHBondContact O-N 3.25Å |
| 538 | R | 56.8 | Low | 62.2 | Low | 97 Ų | 97 | 126 Ų | 126 | 37% | 0.366 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.3 | -46.1 | 170.5 | -98.3 | -175.1 | 169.3 | 106.9 | -6.6 | 112.4 | V524 D534 I535 N540 R541 | V524-R538 PolarHBondContact O-NH2 3.06Å; D534-R538 PolarHBondContact O-N 2.99Å; I535-R538 WeakPolarHBondContact O-CB 3.48Å; I535-R538 PolarHBondContact O-N 2.88Å; R538-N540 VanDerWaalsContact C-N 3.27Å; R538-N540 PolarHBondContact O-N 3.12Å; R538-R541 VanDerWaalsContact CG-NH2 3.29Å; R538-R541 WeakPolarHBondContact O-CB 3.47Å; R538-R541 WeakPolarHBondContact O-CG 3.33Å; R538-R541 PolarHBondContact O-N 2.93Å |
| 539 | D | 60.1 | Low | 62.8 | Low | 109 Ų | 109 | 126.4 Ų | 126.4 | 58% | 0.583 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.4 | -23.1 | -174.2 | -156.7 | 29 | 0 | 0 | 0 | 113.6 | I535 R536 S554 | I535-D539 PolarHBondContact O-N 3.45Å; I535-D539 VanDerWaalsContact O-N 3.16Å; R536-D539 PolarHBondContact O-N 3.03Å; D539-S554 PolarHBondContact O-OG 3.46Å; D539-S554 PolarHBondContact OD1-OG 2.86Å |
| 540 | N | 60.8 | Low | 63.8 | Low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 6.2 | 175.2 | -84.3 | -18.2 | 0 | 0 | 0 | 114.7 | R536 R538 M542 | R536-N540 PolarHBondContact O-N 3.41Å; R538-N540 VanDerWaalsContact C-N 3.27Å; R538-N540 PolarHBondContact O-N 3.12Å; N540-M542 PolarHBondContact O-N 3.34Å |
| 541 | R | 63.7 | Low | 64.7 | Low | 138 Ų | 138 | 129.1 Ų | 129.1 | 52% | 0.521 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 128.4 | 177.5 | -69.8 | -177.7 | -152.4 | -160.1 | 8.3 | 110.9 | R538 | R538-R541 VanDerWaalsContact CG-NH2 3.29Å; R538-R541 WeakPolarHBondContact O-CB 3.47Å; R538-R541 WeakPolarHBondContact O-CG 3.33Å; R538-R541 PolarHBondContact O-N 2.93Å |
| 542 | M | 71.7 | Confident | 65.1 | Low | 128 Ų | 128 | 124.8 Ų | 124.8 | 63% | 0.631 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 128 | 174.7 | -64.6 | -119 | -131.7 | 0 | 0 | 110.8 | N540 Y551 V552 | N540-M542 PolarHBondContact O-N 3.34Å; M542-Y551 HydrophobicContact CB-CD1 3.94Å; M542-Y551 HydrophobicContact CB-CG 4.29Å; M542-V552 CarbonylContact C-O 3.55Å; M542-V552 WeakPolarHBondContact CA-O 3.32Å |
| 543 | K | 69.5 | Low | 65.3 | Low | 155 Ų | 155 | 123.5 Ų | 123.5 | 67% | 0.674 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 130.6 | 175.1 | -179.1 | 174.8 | -179.2 | 174.5 | 0 | 110.1 | D545 Y551 V552 | K543-D545 PolarHBondContact O-N 3.3Å; K543-Y551 CarbonylContact O-C 3.56Å; K543-Y551 VanDerWaalsContact O-CA 3.32Å; K543-Y551 WeakPolarHBondContact O-CA 3.24Å; K543-V552 PolarHBondContact N-O 2.88Å; K543-V552 VanDerWaalsContact O-CG2 3.32Å; K543-V552 WeakPolarHBondContact O-CG2 3.33Å; K543-V552 PolarHBondContact O-N 3.32Å |
| 544 | W | 76.3 | Confident | 65.4 | Low | 123 Ų | 123 | 119.2 Ų | 119.2 | 47% | 0.466 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 116.7 | 170.1 | -179.3 | -105.2 | 0 | 0 | 0 | 110.3 | K549 Y551 | W544-K549 HydrophobicContact CH2-CB 4.39Å; W544-K549 WeakPolarHBondContact CH2-O 3.37Å; W544-K549 HydrophobicContact CZ2-CB 4.13Å; W544-Y551 HydrophobicContact CB-CD1 4.26Å; W544-Y551 HydrophobicContact CB-CE1 4.07Å; W544-Y551 HydrophobicContact CE3-CD1 4.3Å; W544-Y551 AromaticContact CE3-CD2 3.62Å; W544-Y551 HydrophobicContact CE3-CD2 3.62Å; W544-Y551 HydrophobicContact CE3-CE1 4.28Å; W544-Y551 AromaticContact CE3-CE2 3.59Å; W544-Y551 HydrophobicContact CE3-CE2 3.59Å; W544-Y551 AromaticContact CE3-CG 3.98Å; W544-Y551 HydrophobicContact CE3-CG 3.98Å; W544-Y551 AromaticContact CE3-CZ 3.94Å; W544-Y551 AromaticContact CZ3-CD2 3.88Å; W544-Y551 HydrophobicContact CZ3-CD2 3.88Å; W544-Y551 AromaticContact CZ3-CE2 3.87Å; W544-Y551 HydrophobicContact CZ3-CE2 3.87Å |
| 545 | D | 73.5 | Confident | 65.2 | Low | 52 Ų | 52 | 120.1 Ų | 120.1 | 28% | 0.278 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.9 | 104 | 176.1 | -171.5 | 0.2 | 0 | 0 | 0 | 110 | K543 K547 R548 K549 R550 V552 | K543-D545 PolarHBondContact O-N 3.3Å; D545-K547 PolarHBondContact O-N 2.85Å; D545-R548 HydrophobicContact CB-CB 4.3Å; D545-R548 CarbonylContact O-C 3.55Å; D545-R548 PolarHBondContact O-N 3.16Å; D545-R548 WeakPolarHBondContact OD2-CD 3.26Å; D545-K549 PolarHBondContact O-N 3.27Å; D545-R550 PolarHBondContact N-O 3.49Å; D545-V552 HydrophobicContact CB-CG2 3.46Å; D545-V552 VanDerWaalsContact CB-CG2 3.46Å |
| 546 | R | 67.1 | Low | 64.8 | Low | 213 Ų | 213 | 116.8 Ų | 116.8 | 80% | 0.804 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32 | -174.4 | -74 | -179.9 | 158.2 | -176.7 | -5.7 | 113.2 | ||
| 547 | K | 69.6 | Low | 64.5 | Low | 199 Ų | 199 | 115.1 Ų | 115.1 | 87% | 0.865 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -33.5 | -180 | -166.4 | 173.4 | -176.7 | 176.8 | 0 | 111.9 | D545 | D545-K547 PolarHBondContact O-N 2.85Š|
| 548 | R | 62.4 | Low | 64.1 | Low | 131 Ų | 131 | 118.4 Ų | 118.4 | 49% | 0.494 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | -13.1 | -179.5 | -71.6 | -178.1 | 154.7 | 170.1 | -9.6 | 113.6 | D545 R550 | D545-R548 HydrophobicContact CB-CB 4.3Å; D545-R548 CarbonylContact O-C 3.55Å; D545-R548 PolarHBondContact O-N 3.16Å; D545-R548 WeakPolarHBondContact OD2-CD 3.26Å; R548-R550 PolarHBondContact O-N 3.28Å |
| 549 | K | 69.4 | Low | 63.9 | Low | 162 Ų | 162 | 123 Ų | 123 | 70% | 0.704 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.6 | 39.9 | -174.5 | -59.6 | -173.3 | 177.4 | -172.5 | 0 | 112.6 | W544 D545 | W544-K549 HydrophobicContact CH2-CB 4.39Å; W544-K549 WeakPolarHBondContact CH2-O 3.37Å; W544-K549 HydrophobicContact CZ2-CB 4.13Å; D545-K549 PolarHBondContact O-N 3.27Å |
| 550 | R | 74.9 | Confident | 63.8 | Low | 174 Ų | 174 | 121.4 Ų | 121.4 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -149.9 | 158.2 | -179.5 | -66.4 | -174 | -179.8 | 179.3 | -1.5 | 110.8 | D545 R548 | D545-R550 PolarHBondContact N-O 3.49Å; R548-R550 PolarHBondContact O-N 3.28Å |
| 551 | Y | 74 | Confident | 64.5 | Low | 127 Ų | 127 | 123.8 Ų | 123.8 | 50% | 0.498 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76 | 133.2 | 171.7 | -76.3 | -78.1 | 0 | 0 | 0 | 111.2 | M542 K543 W544 | M542-Y551 HydrophobicContact CB-CD1 3.94Å; M542-Y551 HydrophobicContact CB-CG 4.29Å; K543-Y551 CarbonylContact O-C 3.56Å; K543-Y551 VanDerWaalsContact O-CA 3.32Å; K543-Y551 WeakPolarHBondContact O-CA 3.24Å; W544-Y551 HydrophobicContact CB-CD1 4.26Å; W544-Y551 HydrophobicContact CB-CE1 4.07Å; W544-Y551 HydrophobicContact CE3-CD1 4.3Å; W544-Y551 AromaticContact CE3-CD2 3.62Å; W544-Y551 HydrophobicContact CE3-CD2 3.62Å; W544-Y551 HydrophobicContact CE3-CE1 4.28Å; W544-Y551 AromaticContact CE3-CE2 3.59Å; W544-Y551 HydrophobicContact CE3-CE2 3.59Å; W544-Y551 AromaticContact CE3-CG 3.98Å; W544-Y551 HydrophobicContact CE3-CG 3.98Å; W544-Y551 AromaticContact CE3-CZ 3.94Å; W544-Y551 AromaticContact CZ3-CD2 3.88Å; W544-Y551 HydrophobicContact CZ3-CD2 3.88Å; W544-Y551 AromaticContact CZ3-CE2 3.87Å; W544-Y551 HydrophobicContact CZ3-CE2 3.87Å |
| 552 | V | 68.5 | Low | 65.4 | Low | 21 Ų | 21 | 123.4 Ų | 123.4 | 13% | 0.127 | 58% | 0.579 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.4 | 176.6 | -92.6 | 0 | 0 | 0 | 0 | 110.3 | M542 K543 D545 | M542-V552 CarbonylContact C-O 3.55Å; M542-V552 WeakPolarHBondContact CA-O 3.32Å; K543-V552 PolarHBondContact N-O 2.88Å; K543-V552 VanDerWaalsContact O-CG2 3.32Å; K543-V552 WeakPolarHBondContact O-CG2 3.33Å; K543-V552 PolarHBondContact O-N 3.32Å; D545-V552 HydrophobicContact CB-CG2 3.46Å; D545-V552 VanDerWaalsContact CB-CG2 3.46Å |
| 553 | G | 63.7 | Low | 65.9 | Low | 33 Ų | 33 | 120 Ų | 120 | 34% | 0.34 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.2 | 169.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | S555 G556 | G553-S555 PolarHBondContact O-N 3.35Å; G553-S555 VanDerWaalsContact O-N 3.13Å; G553-G556 PolarHBondContact O-N 3.04Å |
| 554 | S | 60.1 | Low | 66.4 | Low | 83 Ų | 83 | 119 Ų | 119 | 58% | 0.58 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.4 | -39.3 | 178.7 | 36.2 | 0 | 0 | 0 | 0 | 114.3 | D539 G556 | D539-S554 PolarHBondContact O-OG 3.46Å; D539-S554 PolarHBondContact OD1-OG 2.86Å; S554-G556 VanDerWaalsContact C-N 3.34Å; S554-G556 PolarHBondContact O-N 3.23Å |
| 555 | S | 54.7 | Low | 66.5 | Low | 97 Ų | 97 | 114 Ų | 114 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 1.2 | -177.4 | -155.5 | 0 | 0 | 0 | 0 | 115.3 | G553 E557 | G553-S555 PolarHBondContact O-N 3.35Å; G553-S555 VanDerWaalsContact O-N 3.13Å; S555-E557 PolarHBondContact O-N 3.45Å |
| 556 | G | 50.9 | Low | 66.6 | Low | 44 Ų | 44 | 118.5 Ų | 118.5 | 45% | 0.454 | 56% | 0.561 | S | S | . | * | trans | 65.1 | -13.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | G553 S554 | G553-G556 PolarHBondContact O-N 3.04Å; S554-G556 VanDerWaalsContact C-N 3.34Å; S554-G556 PolarHBondContact O-N 3.23Å | ||
| 557 | E | 47.8 | Very low | 66.8 | Low | 153 Ų | 153 | 110.9 Ų | 110.9 | 72% | 0.715 | 54% | 0.54 | S | S | * | . | trans | -79.5 | 126.4 | 174.7 | -68.1 | -173 | 166.6 | 0 | 0 | 110.4 | S555 K559 | S555-E557 PolarHBondContact O-N 3.45Å; E557-K559 PolarHBondContact O-N 3.18Å; E557-K559 VanDerWaalsContact O-N 3.1Å | ||
| 558 | E | 51.6 | Low | 67.1 | Low | 122 Ų | 122 | 102.9 Ų | 102.9 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | trans | -63.4 | 111.5 | 172.8 | -154 | 166.1 | -159.4 | 0 | 0 | 106.9 | T560 | E558-T560 HydrophobicContact CB-CG2 4.45Å; E558-T560 PolarHBondContact O-N 3.39Å | ||
| 559 | K | 51.5 | Low | 67.9 | Low | 194 Ų | 194 | 99.5 Ų | 99.5 | 84% | 0.843 | 51% | 0.508 | S | S | * | . | trans | -65 | 78.8 | 165.2 | -73.7 | -175.1 | -177.6 | 175.9 | 0 | 106.9 | E557 K561 | E557-K559 PolarHBondContact O-N 3.18Å; E557-K559 VanDerWaalsContact O-N 3.1Å; K559-K561 PolarHBondContact O-N 3.44Å | ||
| 560 | T | 58.1 | Low | 68.4 | Low | 74 Ų | 74 | 99.5 Ų | 99.5 | 45% | 0.454 | 50% | 0.504 | S | S | . | . | trans | -57.1 | 110.5 | 171.9 | 54.8 | 0 | 0 | 0 | 0 | 105.4 | E558 K562 | E558-T560 HydrophobicContact CB-CG2 4.45Å; E558-T560 PolarHBondContact O-N 3.39Å; T560-K562 WeakPolarHBondContact O-CG 3.09Å; T560-K562 PolarHBondContact O-N 2.96Å | ||
| 561 | K | 76.5 | Confident | 68.6 | Low | 177 Ų | 177 | 92.3 Ų | 92.3 | 77% | 0.77 | 48% | 0.478 | S | S | * | . | trans | -51.2 | 121.5 | 178.5 | -66.8 | 179.1 | 179.6 | -179.8 | 0 | 106.8 | K559 A573 | K559-K561 PolarHBondContact O-N 3.44Å; K561-A573 HydrophobicContact CB-CB 3.89Å; K561-A573 WeakPolarHBondContact O-CA 3.34Å; K561-A573 WeakPolarHBondContact O-CB 3.29Å; K561-A573 PolarHBondContact O-N 2.89Å | ||
| 562 | K | 81.9 | Confident | 68.9 | Low | 130 Ų | 130 | 88.4 Ų | 88.4 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 148 | 177.2 | -60.8 | -170.7 | -176.9 | -179.9 | 0 | 108.9 | T560 W570 I571 | T560-K562 WeakPolarHBondContact O-CG 3.09Å; T560-K562 PolarHBondContact O-N 2.96Å; K562-W570 HydrophobicContact CB-CB 4.45Å; K562-W570 HydrophobicContact CB-CE3 3.75Å; K562-W570 HydrophobicContact CB-CZ3 4.44Å; K562-W570 HydrophobicContact CD-CB 4.04Å; K562-I571 CarbonylContact C-O 3.49Å; K562-I571 VanDerWaalsContact CA-O 3.23Å; K562-I571 WeakPolarHBondContact CA-O 3.43Å |
| 563 | I | 82.1 | Confident | 69.4 | Low | 56 Ų | 56 | 88.8 Ų | 88.8 | 29% | 0.287 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.3 | 173.5 | -61.7 | 175.7 | 0 | 0 | 0 | 106.6 | I571 A573 K576 | I563-I571 PolarHBondContact N-O 3.49Å; I563-I571 PolarHBondContact O-N 3.4Å; I563-A573 HydrophobicContact CD1-CB 3.83Å; I563-A573 HydrophobicContact CG1-CB 3.86Å; I563-K576 HydrophobicContact CD1-CB 3.48Å; I563-K576 VanDerWaalsContact CD1-CB 3.48Å; I563-K576 HydrophobicContact CD1-CD 3.99Å; I563-K576 HydrophobicContact CD1-CG 4.34Å |
| 564 | K | 80.7 | Confident | 70.1 | Confident | 133 Ų | 133 | 91 Ų | 91 | 58% | 0.578 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 121.5 | 169.8 | -168.5 | 175 | -178.9 | 179.8 | 0 | 108.3 | W570 | K564-W570 HydrophobicContact CB-CD2 4.4Å; K564-W570 HydrophobicContact CB-CE3 4.15Å; K564-W570 HydrophobicContact CB-CH2 4.24Å; K564-W570 HydrophobicContact CB-CZ2 4.45Å; K564-W570 HydrophobicContact CB-CZ3 4.08Å; K564-W570 HydrophobicContact CD-CZ2 4.33Å |
| 565 | T | 77 | Confident | 71.1 | Confident | 19 Ų | 19 | 88.9 Ų | 88.9 | 12% | 0.117 | 47% | 0.465 | C | S | . | . | trans | -75.5 | 169.5 | 174.4 | 53 | 0 | 0 | 0 | 0 | 111.2 | I160 E191 S567 G568 V569 I571 | I160-T565 HydrophobicContact CD1-CG2 4.4Å; E191-T565 WeakPolarHBondContact OE1-CB 3.31Å; T565-S567 PolarHBondContact O-N 3.45Å; T565-S567 PolarHBondContact OG1-OG 3.45Å; T565-G568 WeakPolarHBondContact O-CA 3.38Å; T565-G568 PolarHBondContact O-N 3.42Å; T565-V569 PolarHBondContact N-O 3.28Å; T565-V569 PolarHBondContact OG1-N 2.88Å; T565-V569 PolarHBondContact OG1-O 3.33Å; T565-I571 HydrophobicContact CG2-CB 4.4Å; T565-I571 HydrophobicContact CG2-CD1 3.46Å; T565-I571 VanDerWaalsContact CG2-CD1 3.46Å; T565-I571 HydrophobicContact CG2-CG1 3.85Å | ||
| 566 | E | 75.6 | Confident | 72.3 | Confident | 147 Ų | 147 | 89.7 Ų | 89.7 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.9 | 174 | -63.7 | 164.5 | 158.1 | 0 | 0 | 112.6 | R195 G568 | R195-E566 IonicContact CZ-OE2 3.95Å; R195-E566 IonicContact NH1-OE2 3.16Å; R195-E566 PolarHBondContact NH1-OE2 3.47Å; R195-E566 IonicContact NH2-OE2 2.76Å; E566-G568 PolarHBondContact O-N 3.24Å |
| 567 | S | 71.9 | Confident | 73.8 | Confident | 52 Ų | 52 | 89.9 Ų | 89.9 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -7.6 | 173 | 61.5 | 0 | 0 | 0 | 0 | 113.7 | E191 T565 | E191-S567 VanDerWaalsContact CD-OG 3.27Å; E191-S567 PolarHBondContact OE1-OG 3.27Å; E191-S567 WeakPolarHBondContact OE2-CB 3.49Å; E191-S567 PolarHBondContact OE2-OG 2.86Å; T565-S567 PolarHBondContact O-N 3.45Å; T565-S567 PolarHBondContact OG1-OG 3.45Å |
| 568 | G | 76 | Confident | 75.5 | Confident | 31 Ų | 31 | 86.1 Ų | 86.1 | 32% | 0.32 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 86.4 | -2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T565 E566 | T565-G568 WeakPolarHBondContact O-CA 3.38Å; T565-G568 PolarHBondContact O-N 3.42Å; E566-G568 PolarHBondContact O-N 3.24Å |
| 569 | V | 79.5 | Confident | 77.1 | Confident | 61 Ų | 61 | 85.6 Ų | 85.6 | 37% | 0.37 | 43% | 0.431 | S | S | . | . | trans | -76.1 | 140.3 | 179.6 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | T565 I571 | T565-V569 PolarHBondContact N-O 3.28Å; T565-V569 PolarHBondContact OG1-N 2.88Å; T565-V569 PolarHBondContact OG1-O 3.33Å; V569-I571 HydrophobicContact CG1-CG1 4.1Å | ||
| 570 | W | 79 | Confident | 78.7 | Confident | 162 Ų | 162 | 77.7 Ų | 77.7 | 61% | 0.614 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 111.4 | 177.5 | -70.1 | 98.2 | 0 | 0 | 0 | 111.2 | K562 K564 | K562-W570 HydrophobicContact CB-CB 4.45Å; K562-W570 HydrophobicContact CB-CE3 3.75Å; K562-W570 HydrophobicContact CB-CZ3 4.44Å; K562-W570 HydrophobicContact CD-CB 4.04Å; K564-W570 HydrophobicContact CB-CD2 4.4Å; K564-W570 HydrophobicContact CB-CE3 4.15Å; K564-W570 HydrophobicContact CB-CH2 4.24Å; K564-W570 HydrophobicContact CB-CZ2 4.45Å; K564-W570 HydrophobicContact CB-CZ3 4.08Å; K564-W570 HydrophobicContact CD-CZ2 4.33Å |
| 571 | I | 80 | Confident | 80.1 | Confident | 22 Ų | 22 | 79.8 Ų | 79.8 | 11% | 0.113 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 155 | -179 | -53.7 | -172.5 | 0 | 0 | 0 | 109.9 | L156 I160 E191 K562 I563 T565 V569 A573 Y575 | L156-I571 HydrophobicContact CD2-CD1 4.04Å; I160-I571 HydrophobicContact CD1-CD1 4.32Å; E191-I571 HydrophobicContact CB-CD1 4.41Å; E191-I571 HydrophobicContact CG-CD1 3.86Å; K562-I571 CarbonylContact C-O 3.49Å; K562-I571 VanDerWaalsContact CA-O 3.23Å; K562-I571 WeakPolarHBondContact CA-O 3.43Å; I563-I571 PolarHBondContact N-O 3.49Å; I563-I571 PolarHBondContact O-N 3.4Å; T565-I571 HydrophobicContact CG2-CB 4.4Å; T565-I571 HydrophobicContact CG2-CD1 3.46Å; T565-I571 VanDerWaalsContact CG2-CD1 3.46Å; T565-I571 HydrophobicContact CG2-CG1 3.85Å; V569-I571 HydrophobicContact CG1-CG1 4.1Å; I571-A573 PolarHBondContact O-N 2.91Å; I571-Y575 HydrophobicContact CG2-CD2 3.43Å; I571-Y575 VanDerWaalsContact CG2-CD2 3.43Å; I571-Y575 HydrophobicContact CG2-CE2 3.67Å; I571-Y575 HydrophobicContact CG2-CG 3.96Å |
| 572 | S | 80.4 | Confident | 80.7 | Confident | 45 Ų | 45 | 74 Ų | 74 | 32% | 0.315 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 137.6 | 173.8 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | S574 Y575 | S572-S574 WeakPolarHBondContact CB-OG 3.31Å; S572-S574 PolarHBondContact O-N 2.9Å; S572-S574 WeakPolarHBondContact OG-CB 3.4Å; S572-S574 PolarHBondContact OG-N 2.93Å; S572-S574 PolarHBondContact OG-OG 3.49Å; S572-Y575 WeakPolarHBondContact O-CD2 3.44Å; S572-Y575 PolarHBondContact O-N 3.36Å |
| 573 | A | 77.7 | Confident | 80.9 | Confident | 30 Ų | 30 | 68.8 Ų | 68.8 | 25% | 0.248 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -61.7 | -14.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K561 I563 I571 Y575 K576 | K561-A573 HydrophobicContact CB-CB 3.89Å; K561-A573 WeakPolarHBondContact O-CA 3.34Å; K561-A573 WeakPolarHBondContact O-CB 3.29Å; K561-A573 PolarHBondContact O-N 2.89Å; I563-A573 HydrophobicContact CD1-CB 3.83Å; I563-A573 HydrophobicContact CG1-CB 3.86Å; I571-A573 PolarHBondContact O-N 2.91Å; A573-Y575 PolarHBondContact O-N 2.88Å; A573-K576 PolarHBondContact O-N 3Å |
| 574 | S | 79.6 | Confident | 81.1 | Confident | 79 Ų | 79 | 70 Ų | 70 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -58.1 | -19.5 | 174.5 | 62.8 | 0 | 0 | 0 | 0 | 114 | S572 | S572-S574 WeakPolarHBondContact CB-OG 3.31Å; S572-S574 PolarHBondContact O-N 2.9Å; S572-S574 WeakPolarHBondContact OG-CB 3.4Å; S572-S574 PolarHBondContact OG-N 2.93Å; S572-S574 PolarHBondContact OG-OG 3.49Å |
| 575 | Y | 80.5 | Confident | 81.4 | Confident | 39 Ų | 39 | 71 Ų | 71 | 15% | 0.153 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -80.4 | -12.8 | 177.9 | -74.5 | -97.5 | 0 | 0 | 0 | 113.9 | L156 H157 I160 I571 S572 A573 | L156-Y575 HydrophobicContact CB-CE1 4.14Å; L156-Y575 HydrophobicContact CD2-CD1 4.46Å; L156-Y575 HydrophobicContact CD2-CE1 4.02Å; L156-Y575 HydrophobicContact CG-CD1 4.19Å; L156-Y575 HydrophobicContact CG-CE1 4.04Å; H157-Y575 HydrophobicContact CB-CD1 3.75Å; H157-Y575 HydrophobicContact CB-CE1 4.1Å; H157-Y575 PolarHBondContact CD2-O 2.86Å; H157-Y575 VanDerWaalsContact CD2-O 3.22Å; I160-Y575 HydrophobicContact CD1-CD1 4.25Å; I160-Y575 HydrophobicContact CD1-CG 4.36Å; I571-Y575 HydrophobicContact CG2-CD2 3.43Å; I571-Y575 VanDerWaalsContact CG2-CD2 3.43Å; I571-Y575 HydrophobicContact CG2-CE2 3.67Å; I571-Y575 HydrophobicContact CG2-CG 3.96Å; S572-Y575 WeakPolarHBondContact O-CD2 3.44Å; S572-Y575 PolarHBondContact O-N 3.36Å; A573-Y575 PolarHBondContact O-N 2.88Å |
| 576 | K | 80.6 | Confident | 81.7 | Confident | 113 Ų | 113 | 76.9 Ų | 76.9 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | trans | -124.9 | 88 | 179.2 | -164.5 | 177.2 | -173.5 | 172.4 | 0 | 109.8 | I160 I563 A573 | I160-K576 HydrophobicContact CG2-CB 4.4Å; I563-K576 HydrophobicContact CD1-CB 3.48Å; I563-K576 VanDerWaalsContact CD1-CB 3.48Å; I563-K576 HydrophobicContact CD1-CD 3.99Å; I563-K576 HydrophobicContact CD1-CG 4.34Å; A573-K576 PolarHBondContact O-N 3Å | ||
| 577 | S | 81.5 | Confident | 82 | Confident | 48 Ų | 48 | 74.1 Ų | 74.1 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | trans | -104.5 | -1.7 | -174.1 | 61.6 | 0 | 0 | 0 | 0 | 114.2 | E161 K579 | E161-S577 WeakPolarHBondContact OE2-CA 3.49Å; E161-S577 PolarHBondContact OE2-N 3.37Å; E161-S577 PolarHBondContact OE2-OG 3.4Å; S577-K579 PolarHBondContact O-N 2.87Å; S577-K579 VanDerWaalsContact OG-CD 3.3Å; S577-K579 WeakPolarHBondContact OG-CD 3.4Å; S577-K579 VanDerWaalsContact OG-CG 3.26Å; S577-K579 WeakPolarHBondContact OG-CG 3.34Å | ||
| 578 | D | 83.7 | Confident | 82 | Confident | 75 Ų | 75 | 79.5 Ų | 79.5 | 40% | 0.401 | 40% | 0.399 | S | S | . | . | trans | 55.1 | 16.3 | -175.2 | -68.6 | -55 | 0 | 0 | 0 | 114.3 | E161 Y580 K581 A582 | E161-D578 WeakPolarHBondContact OE1-CA 3.41Å; E161-D578 PolarHBondContact OE1-N 2.77Å; E161-D578 PolarHBondContact OE2-N 2.67Å; D578-Y580 VanDerWaalsContact C-N 3.27Å; D578-Y580 PolarHBondContact O-N 3.44Å; D578-K581 HydrophobicContact CB-CD 4.42Å; D578-K581 PolarHBondContact O-N 2.91Å; D578-K581 WeakPolarHBondContact OD1-CD 3.49Å; D578-K581 WeakPolarHBondContact OD1-CE 3.49Å; D578-K581 IonicContact OD1-NZ 3.55Å; D578-K581 PolarHBondContact OD1-NZ 3.28Å; D578-A582 PolarHBondContact O-N 2.89Å | ||
| 579 | K | 84.7 | Confident | 81.1 | Confident | 111 Ų | 111 | 81.9 Ų | 81.9 | 48% | 0.483 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.8 | -35.8 | 174.4 | -75.1 | 177.8 | -173 | 177.3 | 0 | 112.5 | F138 E161 S577 A582 W583 | F138-K579 HydrophobicContact CE2-CB 4.43Å; E161-K579 PolarHBondContact OE1-N 2.98Å; S577-K579 PolarHBondContact O-N 2.87Å; S577-K579 VanDerWaalsContact OG-CD 3.3Å; S577-K579 WeakPolarHBondContact OG-CD 3.4Å; S577-K579 VanDerWaalsContact OG-CG 3.26Å; S577-K579 WeakPolarHBondContact OG-CG 3.34Å; K579-A582 PolarHBondContact O-N 3.48Å; K579-W583 VanDerWaalsContact O-CB 3.31Å; K579-W583 WeakPolarHBondContact O-CB 3.37Å; K579-W583 PolarHBondContact O-N 2.67Å |
| 580 | Y | 86 | Confident | 79.6 | Confident | 28 Ų | 28 | 80.9 Ų | 80.9 | 11% | 0.11 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 178.3 | 175.9 | -118.6 | 0 | 0 | 0 | 111.7 | F138 H142 E161 M162 D578 W583 R584 | F138-Y580 HydrophobicContact CB-CD2 4.27Å; F138-Y580 HydrophobicContact CB-CE2 4.46Å; F138-Y580 HydrophobicContact CD1-CD2 4.16Å; F138-Y580 AromaticContact CD2-CD2 3.91Å; F138-Y580 HydrophobicContact CD2-CD2 3.91Å; F138-Y580 HydrophobicContact CE1-CD2 4.41Å; F138-Y580 HydrophobicContact CE2-CD2 4.21Å; F138-Y580 AromaticContact CG-CD2 3.87Å; F138-Y580 HydrophobicContact CG-CD2 3.87Å; F138-Y580 HydrophobicContact CG-CE2 4.49Å; F138-Y580 HydrophobicContact CZ-CD2 4.43Å; H142-Y580 PolarHBondContact CE1-OH 3.32Å; H142-Y580 AromaticContact NE2-CE2 3.75Å; H142-Y580 AromaticContact NE2-CZ 3.74Å; H142-Y580 PolarHBondContact NE2-OH 3.01Å; E161-Y580 PolarHBondContact OE1-N 2.67Å; M162-Y580 HydrophobicContact CB-CD1 4.21Å; M162-Y580 HydrophobicContact CB-CE1 4.19Å; M162-Y580 HydrophobicContact CB-CG 4.4Å; M162-Y580 HydrophobicContact CE-CD2 4.29Å; M162-Y580 HydrophobicContact CE-CE2 3.63Å; M162-Y580 HydrophobicContact CG-CD1 4.08Å; M162-Y580 HydrophobicContact CG-CD2 3.69Å; M162-Y580 HydrophobicContact CG-CE1 4.26Å; M162-Y580 HydrophobicContact CG-CE2 3.92Å; M162-Y580 HydrophobicContact CG-CG 3.77Å; M162-Y580 HydrophobicContact SD-CD2 4.43Å; M162-Y580 HydrophobicContact SD-CE2 4.34Å; D578-Y580 VanDerWaalsContact C-N 3.27Å; D578-Y580 PolarHBondContact O-N 3.44Å; Y580-W583 AromaticContact CD2-CE3 3.82Å; Y580-W583 HydrophobicContact CD2-CE3 3.82Å; Y580-W583 HydrophobicContact CD2-CZ3 4.3Å; Y580-W583 AromaticContact CE2-CE3 3.72Å; Y580-W583 HydrophobicContact CE2-CE3 3.72Å; Y580-W583 AromaticContact CE2-CZ3 3.76Å; Y580-W583 HydrophobicContact CE2-CZ3 3.76Å; Y580-W583 PolarHBondContact O-N 2.66Å; Y580-R584 HydrophobicContact CD2-CG 4.37Å; Y580-R584 HydrophobicContact CE1-CG 4.22Å; Y580-R584 HydrophobicContact CE2-CG 3.94Å; Y580-R584 WeakPolarHBondContact O-CG 3.36Å; Y580-R584 PolarHBondContact O-N 3.36Å |
| 581 | K | 88 | Confident | 78 | Confident | 117 Ų | 117 | 76.9 Ų | 76.9 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 173.7 | -67.5 | 179.7 | -172.7 | 154.5 | 0 | 111.1 | D578 W583 R584 Q585 | D578-K581 HydrophobicContact CB-CD 4.42Å; D578-K581 PolarHBondContact O-N 2.91Å; D578-K581 WeakPolarHBondContact OD1-CD 3.49Å; D578-K581 WeakPolarHBondContact OD1-CE 3.49Å; D578-K581 IonicContact OD1-NZ 3.55Å; D578-K581 PolarHBondContact OD1-NZ 3.28Å; K581-W583 VanDerWaalsContact C-N 3.33Å; K581-W583 PolarHBondContact O-N 3.46Å; K581-R584 PolarHBondContact O-N 2.86Å; K581-Q585 WeakPolarHBondContact O-CB 3.43Å; K581-Q585 WeakPolarHBondContact O-CG 3.34Å; K581-Q585 PolarHBondContact O-N 2.82Å |
| 582 | A | 87.6 | Confident | 75.9 | Confident | 55 Ų | 55 | 82 Ų | 82 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | D578 K579 Q585 K586 | D578-A582 PolarHBondContact O-N 2.89Å; K579-A582 PolarHBondContact O-N 3.48Å; A582-Q585 PolarHBondContact O-N 3.33Å; A582-K586 WeakPolarHBondContact O-CB 3.43Å; A582-K586 PolarHBondContact O-N 2.72Å |
| 583 | W | 86.3 | Confident | 73.7 | Confident | 22 Ų | 22 | 86.5 Ų | 86.5 | 8% | 0.083 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64 | -45.4 | 175.9 | 179.4 | 78.7 | 0 | 0 | 0 | 112.4 | E135 F138 A139 H142 K579 Y580 K581 Q585 K586 L587 | E135-W583 HydrophobicContact CG-CG 4.38Å; F138-W583 HydrophobicContact CB-CD2 3.94Å; F138-W583 HydrophobicContact CB-CE3 3.84Å; F138-W583 HydrophobicContact CB-CH2 3.95Å; F138-W583 HydrophobicContact CB-CZ2 4.03Å; F138-W583 HydrophobicContact CB-CZ3 3.86Å; F138-W583 HydrophobicContact CD2-CB 4.06Å; F138-W583 AromaticContact CD2-CD2 3.97Å; F138-W583 HydrophobicContact CD2-CD2 3.97Å; F138-W583 HydrophobicContact CD2-CE3 4.2Å; F138-W583 AromaticContact CD2-CG 3.93Å; F138-W583 HydrophobicContact CD2-CG 3.93Å; F138-W583 HydrophobicContact CE2-CB 4.43Å; F138-W583 HydrophobicContact CG-CD2 4.45Å; F138-W583 HydrophobicContact CG-CE3 4.41Å; A139-W583 HydrophobicContact CB-CH2 4.49Å; A139-W583 HydrophobicContact CB-CZ2 3.89Å; H142-W583 AromaticContact CD2-CH2 3.77Å; H142-W583 AromaticContact CD2-CZ3 3.68Å; H142-W583 AromaticContact NE2-CZ3 3.87Å; K579-W583 VanDerWaalsContact O-CB 3.31Å; K579-W583 WeakPolarHBondContact O-CB 3.37Å; K579-W583 PolarHBondContact O-N 2.67Å; Y580-W583 AromaticContact CD2-CE3 3.82Å; Y580-W583 HydrophobicContact CD2-CE3 3.82Å; Y580-W583 HydrophobicContact CD2-CZ3 4.3Å; Y580-W583 AromaticContact CE2-CE3 3.72Å; Y580-W583 HydrophobicContact CE2-CE3 3.72Å; Y580-W583 AromaticContact CE2-CZ3 3.76Å; Y580-W583 HydrophobicContact CE2-CZ3 3.76Å; Y580-W583 PolarHBondContact O-N 2.66Å; K581-W583 VanDerWaalsContact C-N 3.33Å; K581-W583 PolarHBondContact O-N 3.46Å; W583-Q585 VanDerWaalsContact C-N 3.33Å; W583-Q585 PolarHBondContact O-N 3.19Å; W583-K586 PolarHBondContact O-N 2.88Å; W583-L587 HydrophobicContact CD2-CD1 3.98Å; W583-L587 HydrophobicContact CE3-CD1 4.36Å; W583-L587 HydrophobicContact CH2-CD1 3.72Å; W583-L587 HydrophobicContact CZ2-CD1 3.26Å; W583-L587 HydrophobicContact CZ3-CD1 4.23Å; W583-L587 PolarHBondContact O-N 3.3Å; W583-L587 VanDerWaalsContact O-N 3.08Å |
| 584 | R | 86.8 | Confident | 71.5 | Confident | 81 Ų | 81 | 95.4 Ų | 95.4 | 31% | 0.306 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 173.8 | -75.9 | -169.6 | 73.3 | -172.5 | 5.6 | 112.2 | Y580 K581 L587 K588 M589 E593 | Y580-R584 HydrophobicContact CD2-CG 4.37Å; Y580-R584 HydrophobicContact CE1-CG 4.22Å; Y580-R584 HydrophobicContact CE2-CG 3.94Å; Y580-R584 WeakPolarHBondContact O-CG 3.36Å; Y580-R584 PolarHBondContact O-N 3.36Å; K581-R584 PolarHBondContact O-N 2.86Å; R584-L587 PolarHBondContact O-N 3.31Å; R584-K588 PolarHBondContact O-N 2.98Å; R584-K588 VanDerWaalsContact O-N 3.12Å; R584-M589 PolarHBondContact O-N 3Å; R584-E593 IonicContact NH2-OE2 2.67Å; R584-E593 PolarHBondContact NH2-OE2 2.88Å |
| 585 | Q | 87 | Confident | 69.1 | Low | 154 Ų | 154 | 95.8 Ų | 95.8 | 72% | 0.72 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 177.6 | -74.8 | 176.9 | -1.5 | 0 | 0 | 111.8 | K581 A582 W583 L587 K588 | K581-Q585 WeakPolarHBondContact O-CB 3.43Å; K581-Q585 WeakPolarHBondContact O-CG 3.34Å; K581-Q585 PolarHBondContact O-N 2.82Å; A582-Q585 PolarHBondContact O-N 3.33Å; W583-Q585 VanDerWaalsContact C-N 3.33Å; W583-Q585 PolarHBondContact O-N 3.19Å; Q585-L587 VanDerWaalsContact C-N 3.31Å; Q585-L587 PolarHBondContact O-N 3.4Å; Q585-K588 PolarHBondContact O-N 3.35Å; Q585-K588 VanDerWaalsContact O-N 3.11Å |
| 586 | K | 84.5 | Confident | 66.8 | Low | 142 Ų | 142 | 101.2 Ų | 101.2 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.7 | -40.6 | 176.8 | -175 | -177.7 | 175.4 | -171.4 | 0 | 112 | E135 A582 W583 K588 | E135-K586 IonicContact OE1-NZ 2.72Å; E135-K586 IonicContact OE2-NZ 3.48Å; E135-K586 PolarHBondContact OE2-NZ 3.4Å; E135-K586 VanDerWaalsContact OE2-NZ 3.16Å; A582-K586 WeakPolarHBondContact O-CB 3.43Å; A582-K586 PolarHBondContact O-N 2.72Å; W583-K586 PolarHBondContact O-N 2.88Å; K586-K588 VanDerWaalsContact C-N 3.33Å |
| 587 | L | 80.9 | Confident | 64.4 | Low | 90 Ų | 90 | 99.4 Ų | 99.4 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6 | 177.1 | -69.7 | 177 | 0 | 0 | 0 | 114.3 | W583 R584 Q585 M589 | W583-L587 HydrophobicContact CD2-CD1 3.98Å; W583-L587 HydrophobicContact CE3-CD1 4.36Å; W583-L587 HydrophobicContact CH2-CD1 3.72Å; W583-L587 HydrophobicContact CZ2-CD1 3.26Å; W583-L587 HydrophobicContact CZ3-CD1 4.23Å; W583-L587 PolarHBondContact O-N 3.3Å; W583-L587 VanDerWaalsContact O-N 3.08Å; R584-L587 PolarHBondContact O-N 3.31Å; Q585-L587 VanDerWaalsContact C-N 3.31Å; Q585-L587 PolarHBondContact O-N 3.4Å; L587-M589 HydrophobicContact CB-CG 3.73Å; L587-M589 HydrophobicContact CD1-CG 4.39Å; L587-M589 PolarHBondContact O-N 3.45Å; L587-M589 VanDerWaalsContact O-N 3.1Å |
| 588 | K | 72.7 | Confident | 61.9 | Low | 165 Ų | 165 | 103.7 Ų | 103.7 | 72% | 0.717 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 24.8 | -173.3 | -57.5 | -179.4 | -179.6 | 177.6 | 0 | 114.3 | R584 Q585 K586 G590 A591 | R584-K588 PolarHBondContact O-N 2.98Å; R584-K588 VanDerWaalsContact O-N 3.12Å; Q585-K588 PolarHBondContact O-N 3.35Å; Q585-K588 VanDerWaalsContact O-N 3.11Å; K586-K588 VanDerWaalsContact C-N 3.33Å; K588-G590 PolarHBondContact O-N 2.75Å; K588-G590 VanDerWaalsContact O-N 3.09Å; K588-A591 PolarHBondContact O-N 2.9Å |
| 589 | M | 55.7 | Low | 59.1 | Low | 80 Ų | 80 | 106.2 Ų | 106.2 | 39% | 0.394 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -59.8 | -25 | -178.3 | -69.8 | -66.2 | -74.3 | 0 | 0 | 113.1 | R584 L587 A591 L592 | R584-M589 PolarHBondContact O-N 3Å; L587-M589 HydrophobicContact CB-CG 3.73Å; L587-M589 HydrophobicContact CD1-CG 4.39Å; L587-M589 PolarHBondContact O-N 3.45Å; L587-M589 VanDerWaalsContact O-N 3.1Å; M589-A591 PolarHBondContact O-N 3.49Å; M589-L592 PolarHBondContact O-N 3.37Å |
| 590 | G | 48.4 | Very low | 56.2 | Low | 41 Ų | 41 | 104.2 Ų | 104.2 | 42% | 0.423 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -69.9 | -11.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K588 | K588-G590 PolarHBondContact O-N 2.75Å; K588-G590 VanDerWaalsContact O-N 3.09Å |
| 591 | A | 45.1 | Very low | 53.2 | Low | 78 Ų | 78 | 106.4 Ų | 106.4 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -85.6 | -21.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K588 M589 | K588-A591 PolarHBondContact O-N 2.9Å; M589-A591 PolarHBondContact O-N 3.49Å |
| 592 | L | 36.7 | Very low | 50.3 | Low | 129 Ų | 129 | 109.7 Ų | 109.7 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -27.8 | -176.6 | -159.3 | 69.6 | 0 | 0 | 0 | 112.7 | M589 R594 S595 | M589-L592 PolarHBondContact O-N 3.37Å; L592-R594 PolarHBondContact O-N 2.64Å; L592-S595 PolarHBondContact O-OG 3.28Å |
| 593 | E | 33.6 | Very low | 47.3 | Very low | 140 Ų | 140 | 114.9 Ų | 114.9 | 65% | 0.654 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -2.5 | 176.4 | -70.5 | 177 | 162 | 0 | 0 | 113.8 | R584 | R584-E593 IonicContact NH2-OE2 2.67Å; R584-E593 PolarHBondContact NH2-OE2 2.88Å |
| 594 | R | 31.9 | Very low | 44.7 | Very low | 216 Ų | 216 | 123.4 Ų | 123.4 | 82% | 0.815 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 7.2 | 179.8 | -76 | -170.3 | -177.3 | -169.8 | -0.4 | 114.8 | L592 | L592-R594 PolarHBondContact O-N 2.64Š|
| 595 | S | 30.1 | Very low | 41.7 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -81 | -16.6 | 174.9 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | L592 | L592-S595 PolarHBondContact O-OG 3.28Š|
| 596 | D | 30.9 | Very low | 39 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -113.9 | 60 | -178.7 | -59.5 | -22.1 | 0 | 0 | 0 | 111 | ||
| 597 | A | 30.6 | Very low | 36.3 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 63% | 0.628 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -149.6 | 97 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 598 | V | 29.6 | Very low | 33.7 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | 71.1 | 100.7 | 152.6 | -170.9 | 0 | 0 | 0 | 0 | 116.9 | G600 | V598-G600 PolarHBondContact O-N 3.06Š| ||
| 599 | S | 24.3 | Very low | 31.7 | Very low | 128 Ų | 128 | 137 Ų | 137 | 90% | 0.895 | 74% | 0.744 | S | S | * | * | trans | -44.1 | 118.8 | 147.1 | 179 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 600 | G | 23.3 | Very low | 30.3 | Very low | 70 Ų | 70 | 143.9 Ų | 143.9 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 163.2 | 88.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V598 | V598-G600 PolarHBondContact O-N 3.06Š| ||
| 601 | G | 23.7 | Very low | 29.3 | Very low | 73 Ų | 73 | 147.2 Ų | 147.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | 92.4 | 113.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 602 | Q | 26.8 | Very low | 28.6 | Very low | 187 Ų | 187 | 154.3 Ų | 154.3 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 74.9 | 89.1 | 143.1 | -61.6 | -178.7 | -6.5 | 0 | 0 | 118.7 | K604 | Q602-K604 PolarHBondContact O-N 3.13Š| ||
| 603 | D | 24.9 | Very low | 28 | Very low | 164 Ų | 164 | 157.2 Ų | 157.2 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | 26.1 | 86.3 | 122 | -118 | -18.1 | 0 | 0 | 0 | 117.1 | |||||
| 604 | K | 30.6 | Very low | 27.5 | Very low | 200 Ų | 200 | 158.8 Ų | 158.8 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -125.8 | 76.7 | 154.1 | -75.9 | -173.9 | -178.5 | 172.8 | 0 | 109.5 | Q602 L606 | Q602-K604 PolarHBondContact O-N 3.13Å; K604-L606 PolarHBondContact O-N 3.49Å | ||
| 605 | R | 25.8 | Very low | 27.4 | Very low | 234 Ų | 234 | 152.5 Ų | 152.5 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | 19.7 | 88.6 | 146.1 | -147.6 | 171 | -179.1 | 169.3 | 0.4 | 113.3 | K607 | R605-K607 PolarHBondContact O-N 3.14Š| ||
| 606 | L | 29.7 | Very low | 27.1 | Very low | 166 Ų | 166 | 154.5 Ų | 154.5 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -49.8 | 100.3 | 170.3 | -79 | 131.3 | 0 | 0 | 0 | 109.9 | K604 L608 | K604-L606 PolarHBondContact O-N 3.49Å; L606-L608 PolarHBondContact O-N 3.35Å | ||
| 607 | K | 26.9 | Very low | 26.8 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -71 | 81.6 | 160.4 | -79.8 | -176.8 | 179.8 | 174.6 | 0 | 107.3 | R605 F609 | R605-K607 PolarHBondContact O-N 3.14Å; K607-F609 VanDerWaalsContact C-N 3.27Å; K607-F609 PolarHBondContact O-N 3.43Å | ||
| 608 | L | 27.6 | Very low | 26.5 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -54.4 | 94.5 | 162.4 | -167 | 73.7 | 0 | 0 | 0 | 106.9 | L606 R610 | L606-L608 PolarHBondContact O-N 3.35Å; L608-R610 PolarHBondContact O-N 3.16Å | ||
| 609 | F | 29.4 | Very low | 26.1 | Very low | 175 Ų | 175 | 155.3 Ų | 155.3 | 77% | 0.768 | 83% | 0.827 | S | S | * | * | trans | -67.1 | 93.1 | 171.8 | -100.9 | -84.7 | 0 | 0 | 0 | 107.3 | K607 S611 | K607-F609 VanDerWaalsContact C-N 3.27Å; K607-F609 PolarHBondContact O-N 3.43Å; F609-S611 PolarHBondContact O-N 2.85Å | ||
| 610 | R | 26.4 | Very low | 26.2 | Very low | 226 Ų | 226 | 156.7 Ų | 156.7 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -40.9 | 123.3 | 168.7 | -121 | 173.5 | 163.1 | 170.8 | -5.6 | 109.2 | L608 R612 | L608-R610 PolarHBondContact O-N 3.16Å; R610-R612 PolarHBondContact O-N 3.48Å | ||
| 611 | S | 27.4 | Very low | 26.9 | Very low | 111 Ų | 111 | 158.3 Ų | 158.3 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -38.2 | 111.8 | 163.7 | 177 | 0 | 0 | 0 | 0 | 109.7 | F609 K613 | F609-S611 PolarHBondContact O-N 2.85Å; S611-K613 PolarHBondContact O-N 2.98Å | ||
| 612 | R | 29.9 | Very low | 26.9 | Very low | 226 Ų | 226 | 163.1 Ų | 163.1 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -72.8 | 86.9 | 170.7 | -92.6 | -174.6 | -93.9 | -157.3 | -5.4 | 107.7 | R610 | R610-R612 PolarHBondContact O-N 3.48Š| ||
| 613 | K | 24.3 | Very low | 26.8 | Very low | 191 Ų | 191 | 159.6 Ų | 159.6 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | -52 | 137.1 | 156.3 | -106.9 | 178.3 | 176.3 | 178.9 | 0 | 109.1 | S611 A615 | S611-K613 PolarHBondContact O-N 2.98Å; K613-A615 PolarHBondContact O-N 3.34Å | ||
| 614 | L | 24.4 | Very low | 27 | Very low | 172 Ų | 172 | 156.1 Ų | 156.1 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -31 | 121.4 | 157.5 | -104.5 | 64.5 | 0 | 0 | 0 | 112.3 | ||||
| 615 | A | 29.5 | Very low | 26.7 | Very low | 85 Ų | 85 | 151.4 Ų | 151.4 | 70% | 0.702 | 82% | 0.817 | S | S | * | * | trans | -138.2 | 96.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | K613 | K613-A615 PolarHBondContact O-N 3.34Š| ||
| 616 | T | 22.4 | Very low | 26.7 | Very low | 128 Ų | 128 | 146 Ų | 146 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | 52.2 | 100.7 | 96.6 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 617 | A | 25.4 | Very low | 26.3 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | 27 | 111.5 | 136.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 618 | G | 25.4 | Very low | 26.2 | Very low | 72 Ų | 72 | 144.3 Ų | 144.3 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -166.9 | 91 | 154.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 619 | F | 20.3 | Very low | 25.9 | Very low | 200 Ų | 200 | 141.7 Ų | 141.7 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | 52.1 | 114.1 | 85.8 | -129.8 | -89 | 0 | 0 | 0 | 112.3 | |||||
| 620 | L | 27.1 | Very low | 25.8 | Very low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | 156.8 | 148.8 | 150.2 | -84.2 | 172.6 | 0 | 0 | 0 | 110.4 | ||||
| 621 | P | 37.1 | Very low | 25.6 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 68% | 0.675 | 82% | 0.816 | S | S | * | * | -124.3 | 171.9 | -89.5 | 33 | -15.7 | 0 | 0 | 0 | 114.6 | |||||
| 622 | L | 23.5 | Very low | 25.3 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -68.2 | 124.8 | 162 | -76.7 | 92.3 | 0 | 0 | 0 | 109.9 | ||||
| 623 | S | 25.9 | Very low | 25 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -163.1 | 150.4 | 144.1 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 624 | A | 27.8 | Very low | 24.8 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | 76.8 | 84 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 625 | A | 24.3 | Very low | 24.7 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -56.4 | 129.8 | 132.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 626 | V | 26.1 | Very low | 24.3 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | trans | -146.2 | 121.2 | 150.9 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 627 | C | 20.8 | Very low | 24.3 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -61.5 | 138 | 169 | -59 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 628 | F | 24.8 | Very low | 24.3 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -126.5 | 105.3 | 151.6 | -106.8 | -87.1 | 0 | 0 | 0 | 109.2 | ||||
| 629 | A | 22.1 | Very low | 24.5 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -71.6 | 124.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 630 | G | 26.7 | Very low | 24.9 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -134.1 | 113.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 631 | K | 22 | Very low | 25.1 | Very low | 217 Ų | 217 | 128.9 Ų | 128.9 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -56.4 | 142.8 | -179.4 | -72.1 | 167.2 | 167.8 | 174.1 | 0 | 113.9 | ||||
| 632 | G | 20.8 | Very low | 24.7 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | 70.2 | 119.6 | 127.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 633 | K | 24.5 | Very low | 25.4 | Very low | 217 Ų | 217 | 133.5 Ų | 133.5 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | -170.7 | 131.2 | 124 | -102.3 | 170.4 | -170.8 | -176.7 | 0 | 111.3 | |||||
| 634 | A | 20.3 | Very low | 25.9 | Very low | 89 Ų | 89 | 139 Ų | 139 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -82.5 | 166.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 635 | K | 21 | Very low | 27 | Very low | 200 Ų | 200 | 141 Ų | 141 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | 73.4 | 104.3 | 162.1 | -66.6 | -179.3 | 174.1 | 176.8 | 0 | 118.1 | ||||
| 636 | K | 22.9 | Very low | 28.7 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | 176.5 | 125.1 | 99.1 | -98 | -179.2 | 177.7 | 179.2 | 0 | 110.3 | |||||
| 637 | S | 21.2 | Very low | 30.4 | Very low | 120 Ų | 120 | 146 Ų | 146 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -62.6 | 121.1 | 160.6 | 47 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 638 | S | 26.5 | Very low | 32.8 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -174.1 | 138.9 | 147.6 | 49.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 639 | S | 28 | Very low | 35.3 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 69.9 | 111.4 | 177.6 | 74.8 | 0 | 0 | 0 | 0 | 116.2 | G641 | S639-G641 VanDerWaalsContact C-N 3.3Å; S639-G641 PolarHBondContact O-N 3.12Å | ||
| 640 | A | 30.1 | Very low | 37.9 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -59.4 | 89.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R642 | A640-R642 PolarHBondContact O-N 3.46Å; A640-R642 VanDerWaalsContact O-N 3.12Å | ||
| 641 | G | 29.8 | Very low | 40.2 | Very low | 66 Ų | 66 | 147.1 Ų | 147.1 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -60.3 | 112.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | S639 V643 | S639-G641 VanDerWaalsContact C-N 3.3Å; S639-G641 PolarHBondContact O-N 3.12Å; G641-V643 PolarHBondContact O-N 3.35Å | ||
| 642 | R | 29.9 | Very low | 43 | Very low | 241 Ų | 241 | 141.8 Ų | 141.8 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -28.4 | 108.6 | 169.2 | -176.2 | 175.6 | 178.5 | 170.4 | 0.1 | 110.8 | A640 R644 | A640-R642 PolarHBondContact O-N 3.46Å; A640-R642 VanDerWaalsContact O-N 3.12Å; R642-R644 PolarHBondContact O-N 3.08Å | ||
| 643 | V | 37.4 | Very low | 45.9 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -48.5 | 116.3 | 178.7 | 177.4 | 0 | 0 | 0 | 0 | 108.1 | G641 N645 | G641-V643 PolarHBondContact O-N 3.35Å; V643-N645 PolarHBondContact O-N 3.42Å | ||
| 644 | R | 37.8 | Very low | 48.7 | Very low | 230 Ų | 230 | 138.6 Ų | 138.6 | 87% | 0.868 | 73% | 0.732 | S | S | * | * | trans | -65.7 | 112.6 | 179.4 | -161.4 | 176.8 | -176.5 | 174.5 | 2 | 106.4 | R642 E646 | R642-R644 PolarHBondContact O-N 3.08Å; R644-E646 PolarHBondContact O-N 3.27Å | ||
| 645 | N | 49.2 | Very low | 51.8 | Low | 130 Ų | 130 | 142 Ų | 142 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | trans | -59.4 | 105 | -176 | -149.8 | 3.1 | 0 | 0 | 0 | 108.9 | V643 L647 | V643-N645 PolarHBondContact O-N 3.42Å; N645-L647 PolarHBondContact O-N 2.95Å | ||
| 646 | E | 60.9 | Low | 54.9 | Low | 184 Ų | 184 | 134.8 Ų | 134.8 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | trans | -73.3 | -9.7 | -177.4 | -61.7 | -165.1 | 165.3 | 0 | 0 | 112.7 | R644 K648 | R644-E646 PolarHBondContact O-N 3.27Å; E646-K648 PolarHBondContact O-N 3.37Å; E646-K648 VanDerWaalsContact O-N 3.09Å | ||
| 647 | L | 61.7 | Low | 58 | Low | 143 Ų | 143 | 131 Ų | 131 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | trans | -66.1 | 110.8 | 178.7 | -66.5 | 174.3 | 0 | 0 | 0 | 110.2 | N645 S649 | N645-L647 PolarHBondContact O-N 2.95Å; L647-S649 PolarHBondContact O-N 2.94Å | ||
| 648 | K | 70.8 | Confident | 61.2 | Low | 136 Ų | 136 | 129.6 Ų | 129.6 | 59% | 0.591 | 68% | 0.675 | S | S | * | * | trans | -66.7 | 131.7 | 175 | -69.4 | 174.8 | -176.9 | 165.2 | 0 | 109.7 | E646 Q652 I653 | E646-K648 PolarHBondContact O-N 3.37Å; E646-K648 VanDerWaalsContact O-N 3.09Å; K648-Q652 HydrophobicContact CB-CB 3.89Å; K648-Q652 HydrophobicContact CG-CB 4.42Å; K648-I653 HydrophobicContact CB-CG1 4.06Å | ||
| 649 | S | 77 | Confident | 64.1 | Low | 58 Ų | 58 | 134.1 Ų | 134.1 | 41% | 0.406 | 68% | 0.676 | S | S | . | * | trans | -62.2 | 159 | 174.9 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | L647 Q651 Q652 I653 | L647-S649 PolarHBondContact O-N 2.94Å; S649-Q651 PolarHBondContact O-N 2.9Å; S649-Q651 VanDerWaalsContact O-N 3.12Å; S649-Q652 CarbonylContact O-C 3.58Å; S649-Q652 WeakPolarHBondContact O-CA 3.31Å; S649-Q652 WeakPolarHBondContact O-CB 3.3Å; S649-Q652 PolarHBondContact O-N 2.85Å; S649-Q652 PolarHBondContact OG-N 2.98Å; S649-I653 WeakPolarHBondContact O-CG1 3.28Å; S649-I653 PolarHBondContact O-N 3Å | ||
| 650 | E | 76.5 | Confident | 67.1 | Low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -50.5 | -39.6 | 176.5 | -128.3 | -178.2 | -178.3 | 0 | 0 | 112.2 | I653 F654 | E650-I653 PolarHBondContact O-N 2.93Å; E650-F654 WeakPolarHBondContact O-CB 3.02Å; E650-F654 PolarHBondContact O-N 3.21Å |
| 651 | Q | 75.9 | Confident | 69.8 | Low | 154 Ų | 154 | 135.9 Ų | 135.9 | 72% | 0.72 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.3 | -37.3 | 175.8 | -65.5 | -178 | -5.8 | 0 | 0 | 113 | S649 K655 | S649-Q651 PolarHBondContact O-N 2.9Å; S649-Q651 VanDerWaalsContact O-N 3.12Å; Q651-K655 WeakPolarHBondContact O-CB 3.07Å; Q651-K655 PolarHBondContact O-N 3.2Å |
| 652 | Q | 80.2 | Confident | 72.7 | Confident | 104 Ų | 104 | 138.2 Ų | 138.2 | 49% | 0.486 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.9 | -38 | 174.1 | -75.2 | 178.1 | -6.5 | 0 | 0 | 111.5 | K648 S649 K655 A656 | K648-Q652 HydrophobicContact CB-CB 3.89Å; K648-Q652 HydrophobicContact CG-CB 4.42Å; S649-Q652 CarbonylContact O-C 3.58Å; S649-Q652 WeakPolarHBondContact O-CA 3.31Å; S649-Q652 WeakPolarHBondContact O-CB 3.3Å; S649-Q652 PolarHBondContact O-N 2.85Å; S649-Q652 PolarHBondContact OG-N 2.98Å; Q652-K655 PolarHBondContact O-N 3.39Å; Q652-A656 VanDerWaalsContact O-CB 3.29Å; Q652-A656 WeakPolarHBondContact O-CB 3.43Å; Q652-A656 PolarHBondContact O-N 3.39Å |
| 653 | I | 82.9 | Confident | 75.4 | Confident | 85 Ų | 85 | 131.2 Ų | 131.2 | 44% | 0.436 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.3 | -44.6 | 174.5 | -62.7 | 168.4 | 0 | 0 | 0 | 110.3 | K648 S649 E650 A656 H657 | K648-I653 HydrophobicContact CB-CG1 4.06Å; S649-I653 WeakPolarHBondContact O-CG1 3.28Å; S649-I653 PolarHBondContact O-N 3Å; E650-I653 PolarHBondContact O-N 2.93Å; I653-A656 PolarHBondContact O-N 3.21Å; I653-H657 PolarHBondContact O-N 2.99Å |
| 654 | F | 82.5 | Confident | 77.8 | Confident | 136 Ų | 136 | 131.8 Ų | 131.8 | 60% | 0.596 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.7 | -46.6 | 176.3 | -175.8 | -105.2 | 0 | 0 | 0 | 111.9 | E650 A656 H657 I658 | E650-F654 WeakPolarHBondContact O-CB 3.02Å; E650-F654 PolarHBondContact O-N 3.21Å; F654-A656 VanDerWaalsContact C-N 3.31Å; F654-A656 PolarHBondContact O-N 2.85Å; F654-H657 WeakPolarHBondContact O-CB 3.42Å; F654-H657 PolarHBondContact O-N 2.93Å; F654-I658 HydrophobicContact CD1-CD1 4.05Å; F654-I658 HydrophobicContact CE1-CD1 3.39Å; F654-I658 HydrophobicContact CE1-CG1 4.22Å; F654-I658 HydrophobicContact CE2-CD1 4.48Å; F654-I658 HydrophobicContact CZ-CD1 3.65Å; F654-I658 HydrophobicContact CZ-CG1 4.27Å; F654-I658 PolarHBondContact O-N 3.38Å |
| 655 | K | 86.3 | Confident | 80.2 | Confident | 161 Ų | 161 | 125.3 Ų | 125.3 | 70% | 0.7 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.3 | -40.5 | 173.3 | -86.5 | -177.5 | 175.8 | 176.8 | 0 | 112.1 | Q651 Q652 I658 R659 | Q651-K655 WeakPolarHBondContact O-CB 3.07Å; Q651-K655 PolarHBondContact O-N 3.2Å; Q652-K655 PolarHBondContact O-N 3.39Å; K655-I658 PolarHBondContact O-N 3.19Å; K655-R659 WeakPolarHBondContact O-CB 3.5Å; K655-R659 PolarHBondContact O-N 3.45Å |
| 656 | A | 85.8 | Confident | 82 | Confident | 48 Ų | 48 | 121.7 Ų | 121.7 | 40% | 0.397 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.4 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q652 I653 F654 R659 K660 | Q652-A656 VanDerWaalsContact O-CB 3.29Å; Q652-A656 WeakPolarHBondContact O-CB 3.43Å; Q652-A656 PolarHBondContact O-N 3.39Å; I653-A656 PolarHBondContact O-N 3.21Å; F654-A656 VanDerWaalsContact C-N 3.31Å; F654-A656 PolarHBondContact O-N 2.85Å; A656-R659 PolarHBondContact O-N 3.04Å; A656-K660 VanDerWaalsContact O-CB 3.31Å; A656-K660 WeakPolarHBondContact O-CB 3.47Å; A656-K660 PolarHBondContact O-N 3.28Å |
| 657 | H | 88.8 | Confident | 83.2 | Confident | 120 Ų | 120 | 118.1 Ų | 118.1 | 56% | 0.556 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.4 | -47.7 | 174.2 | -106 | 97.8 | 0 | 0 | 0 | 112.2 | I653 F654 R659 K660 Q661 | I653-H657 PolarHBondContact O-N 2.99Å; F654-H657 WeakPolarHBondContact O-CB 3.42Å; F654-H657 PolarHBondContact O-N 2.93Å; H657-R659 VanDerWaalsContact C-N 3.32Å; H657-R659 PolarHBondContact O-N 3.08Å; H657-K660 PolarHBondContact O-N 3.4Å; H657-Q661 PolarHBondContact O-N 2.94Å |
| 658 | I | 87.9 | Confident | 84.3 | Confident | 90 Ų | 90 | 120.3 Ų | 120.3 | 46% | 0.462 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.7 | -45.1 | 175.4 | -70.1 | -171.6 | 0 | 0 | 0 | 110.4 | F654 K655 K660 Q661 H662 | F654-I658 HydrophobicContact CD1-CD1 4.05Å; F654-I658 HydrophobicContact CE1-CD1 3.39Å; F654-I658 HydrophobicContact CE1-CG1 4.22Å; F654-I658 HydrophobicContact CE2-CD1 4.48Å; F654-I658 HydrophobicContact CZ-CD1 3.65Å; F654-I658 HydrophobicContact CZ-CG1 4.27Å; F654-I658 PolarHBondContact O-N 3.38Å; K655-I658 PolarHBondContact O-N 3.19Å; I658-K660 VanDerWaalsContact C-N 3.34Å; I658-K660 PolarHBondContact O-N 3.4Å; I658-Q661 PolarHBondContact O-N 3.38Å; I658-H662 WeakPolarHBondContact O-CB 3.32Å; I658-H662 PolarHBondContact O-N 2.89Å |
| 659 | R | 87 | Confident | 84.9 | Confident | 200 Ų | 200 | 121.6 Ų | 121.6 | 76% | 0.755 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63 | -40.4 | 178.9 | -157.5 | 175.9 | -171.3 | 178.2 | 2 | 111.8 | K655 A656 H657 H662 Q663 | K655-R659 WeakPolarHBondContact O-CB 3.5Å; K655-R659 PolarHBondContact O-N 3.45Å; A656-R659 PolarHBondContact O-N 3.04Å; H657-R659 VanDerWaalsContact C-N 3.32Å; H657-R659 PolarHBondContact O-N 3.08Å; R659-H662 PolarHBondContact O-N 2.89Å; R659-Q663 WeakPolarHBondContact O-CB 3.37Å; R659-Q663 PolarHBondContact O-N 3.01Å |
| 660 | K | 90.1 | Very high | 85.2 | Confident | 129 Ų | 129 | 127.3 Ų | 127.3 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.1 | -38.6 | 177.2 | -165.6 | 174.3 | -175.2 | 175.2 | 0 | 112.1 | A656 H657 I658 Q663 R664 | A656-K660 VanDerWaalsContact O-CB 3.31Å; A656-K660 WeakPolarHBondContact O-CB 3.47Å; A656-K660 PolarHBondContact O-N 3.28Å; H657-K660 PolarHBondContact O-N 3.4Å; I658-K660 VanDerWaalsContact C-N 3.34Å; I658-K660 PolarHBondContact O-N 3.4Å; K660-Q663 PolarHBondContact O-N 3.35Å; K660-R664 WeakPolarHBondContact O-CG 3.49Å; K660-R664 PolarHBondContact O-N 2.88Å |
| 661 | Q | 88.1 | Confident | 85.3 | Confident | 132 Ų | 132 | 121.4 Ų | 121.4 | 62% | 0.617 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 172.1 | -83.7 | -167.7 | -17.7 | 0 | 0 | 111.6 | H657 I658 Q663 R664 E665 | H657-Q661 PolarHBondContact O-N 2.94Å; I658-Q661 PolarHBondContact O-N 3.38Å; Q661-Q663 VanDerWaalsContact C-N 3.31Å; Q661-Q663 PolarHBondContact O-N 3.46Å; Q661-R664 PolarHBondContact O-N 2.94Å; Q661-E665 PolarHBondContact O-N 3.3Å |
| 662 | H | 90.3 | Very high | 85.5 | Confident | 115 Ų | 115 | 121.8 Ų | 121.8 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 177.2 | -169.9 | -94.9 | 0 | 0 | 0 | 111.7 | I658 R659 E665 I666 | I658-H662 WeakPolarHBondContact O-CB 3.32Å; I658-H662 PolarHBondContact O-N 2.89Å; R659-H662 PolarHBondContact O-N 2.89Å; H662-E665 PolarHBondContact O-N 3.09Å; H662-I666 VanDerWaalsContact CE1-CD1 3.48Å; H662-I666 WeakPolarHBondContact CE1-CD1 3.34Å; H662-I666 WeakPolarHBondContact ND1-CD1 3.48Å; H662-I666 WeakPolarHBondContact O-CG1 3.38Å; H662-I666 PolarHBondContact O-N 3.24Å |
| 663 | Q | 86.5 | Confident | 85.3 | Confident | 95 Ų | 95 | 126.8 Ų | 126.8 | 44% | 0.444 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.4 | -46.1 | 175.1 | -163 | 71 | 16.1 | 0 | 0 | 111.9 | R659 K660 Q661 E665 I666 E667 | R659-Q663 WeakPolarHBondContact O-CB 3.37Å; R659-Q663 PolarHBondContact O-N 3.01Å; K660-Q663 PolarHBondContact O-N 3.35Å; Q661-Q663 VanDerWaalsContact C-N 3.31Å; Q661-Q663 PolarHBondContact O-N 3.46Å; Q663-E665 VanDerWaalsContact C-N 3.29Å; Q663-E665 PolarHBondContact O-N 3.11Å; Q663-I666 WeakPolarHBondContact O-CB 3.41Å; Q663-I666 PolarHBondContact O-N 3.4Å; Q663-E667 WeakPolarHBondContact O-CG 3.48Å; Q663-E667 PolarHBondContact O-N 3.29Å |
| 664 | R | 87.4 | Confident | 84.8 | Confident | 146 Ų | 146 | 127.4 Ų | 127.4 | 55% | 0.551 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.4 | -36.9 | 175 | -76.4 | 175 | 173 | -177.1 | -3.3 | 112.2 | K660 Q661 E667 R668 | K660-R664 WeakPolarHBondContact O-CG 3.49Å; K660-R664 PolarHBondContact O-N 2.88Å; Q661-R664 PolarHBondContact O-N 2.94Å; R664-E667 PolarHBondContact O-N 3.1Å; R664-R668 WeakPolarHBondContact O-CB 3.39Å; R664-R668 VanDerWaalsContact O-CG 3.31Å; R664-R668 WeakPolarHBondContact O-CG 3.45Å; R664-R668 PolarHBondContact O-N 3.01Å |
| 665 | E | 87.9 | Confident | 84.2 | Confident | 94 Ų | 94 | 129.6 Ų | 129.6 | 44% | 0.439 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.7 | -42.1 | 175.5 | -169 | 178.7 | 169.4 | 0 | 0 | 111.5 | Q661 H662 Q663 R668 R669 | Q661-E665 PolarHBondContact O-N 3.3Å; H662-E665 PolarHBondContact O-N 3.09Å; Q663-E665 VanDerWaalsContact C-N 3.29Å; Q663-E665 PolarHBondContact O-N 3.11Å; E665-R668 PolarHBondContact O-N 3.3Å; E665-R669 WeakPolarHBondContact O-CB 3.23Å; E665-R669 WeakPolarHBondContact O-CG 3.28Å; E665-R669 PolarHBondContact O-N 3.42Å; E665-R669 IonicContact OE1-CZ 3.44Å; E665-R669 IonicContact OE1-NE 3.56Å; E665-R669 IonicContact OE1-NH2 3Å; E665-R669 PolarHBondContact OE1-NH2 3.36Å |
| 666 | I | 87.1 | Confident | 82.8 | Confident | 54 Ų | 54 | 129.8 Ų | 129.8 | 28% | 0.277 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.6 | -46.5 | 173.2 | -69.9 | 166.9 | 0 | 0 | 0 | 110.6 | H662 Q663 R669 R670 | H662-I666 VanDerWaalsContact CE1-CD1 3.48Å; H662-I666 WeakPolarHBondContact CE1-CD1 3.34Å; H662-I666 WeakPolarHBondContact ND1-CD1 3.48Å; H662-I666 WeakPolarHBondContact O-CG1 3.38Å; H662-I666 PolarHBondContact O-N 3.24Å; Q663-I666 WeakPolarHBondContact O-CB 3.41Å; Q663-I666 PolarHBondContact O-N 3.4Å; I666-R669 PolarHBondContact O-N 3.28Å; I666-R670 HydrophobicContact CG2-CG 4.47Å; I666-R670 WeakPolarHBondContact O-CG 3.48Å; I666-R670 PolarHBondContact O-N 3.12Å |
| 667 | E | 86.5 | Confident | 81.5 | Confident | 109 Ų | 109 | 133 Ų | 133 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.9 | -44.6 | 177.5 | -77.3 | 171.4 | -177.6 | 0 | 0 | 111.8 | Q663 R664 R669 R670 A671 | Q663-E667 WeakPolarHBondContact O-CG 3.48Å; Q663-E667 PolarHBondContact O-N 3.29Å; R664-E667 PolarHBondContact O-N 3.1Å; E667-R669 VanDerWaalsContact C-N 3.31Å; E667-R669 PolarHBondContact O-N 3.23Å; E667-R670 PolarHBondContact O-N 3.38Å; E667-A671 WeakPolarHBondContact O-CB 3.28Å; E667-A671 PolarHBondContact O-N 3.35Å |
| 668 | R | 85 | Confident | 79.8 | Confident | 189 Ų | 189 | 139 Ų | 139 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -59.1 | -41.2 | 173.4 | -79.1 | 177.7 | 175 | -168.6 | -2.1 | 111.9 | R664 E665 K672 | R664-R668 WeakPolarHBondContact O-CB 3.39Å; R664-R668 VanDerWaalsContact O-CG 3.31Å; R664-R668 WeakPolarHBondContact O-CG 3.45Å; R664-R668 PolarHBondContact O-N 3.01Å; E665-R668 PolarHBondContact O-N 3.3Å; R668-K672 WeakPolarHBondContact O-CG 3.37Å; R668-K672 PolarHBondContact O-N 3.26Å |
| 669 | R | 83.1 | Confident | 78.1 | Confident | 163 Ų | 163 | 143 Ų | 143 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.2 | -39.4 | 176.3 | -76 | 178.9 | 175 | -176.2 | 3.3 | 112 | E665 I666 E667 K672 R673 | E665-R669 WeakPolarHBondContact O-CB 3.23Å; E665-R669 WeakPolarHBondContact O-CG 3.28Å; E665-R669 PolarHBondContact O-N 3.42Å; E665-R669 IonicContact OE1-CZ 3.44Å; E665-R669 IonicContact OE1-NE 3.56Å; E665-R669 IonicContact OE1-NH2 3Å; E665-R669 PolarHBondContact OE1-NH2 3.36Å; I666-R669 PolarHBondContact O-N 3.28Å; E667-R669 VanDerWaalsContact C-N 3.31Å; E667-R669 PolarHBondContact O-N 3.23Å; R669-K672 PolarHBondContact O-N 3Å; R669-R673 PolarHBondContact O-N 3.03Å |
| 670 | R | 82.7 | Confident | 76.3 | Confident | 177 Ų | 177 | 139 Ų | 139 | 67% | 0.668 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.4 | -46.5 | 174.2 | -76.3 | -179.1 | 176.7 | -172.3 | -1.8 | 111.5 | I666 E667 K672 R673 S674 | I666-R670 HydrophobicContact CG2-CG 4.47Å; I666-R670 WeakPolarHBondContact O-CG 3.48Å; I666-R670 PolarHBondContact O-N 3.12Å; E667-R670 PolarHBondContact O-N 3.38Å; R670-K672 VanDerWaalsContact C-N 3.3Å; R670-K672 PolarHBondContact O-N 3.26Å; R670-R673 VanDerWaalsContact O-N 3.08Å; R670-R673 PolarHBondContact O-N 3.06Å; R670-S674 PolarHBondContact O-N 3.3Å |
| 671 | A | 79.7 | Confident | 74.2 | Confident | 49 Ų | 49 | 141 Ų | 141 | 41% | 0.405 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -62.7 | -34.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E667 S674 K675 | E667-A671 WeakPolarHBondContact O-CB 3.28Å; E667-A671 PolarHBondContact O-N 3.35Å; A671-S674 PolarHBondContact O-OG 3.37Å; A671-K675 WeakPolarHBondContact O-CG 3.37Å; A671-K675 PolarHBondContact O-N 3.22Å |
| 672 | K | 79.9 | Confident | 73.5 | Confident | 162 Ų | 162 | 141.5 Ų | 141.5 | 70% | 0.704 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.9 | -34.6 | 172.3 | -76.7 | -176.5 | 178.7 | -171.4 | 0 | 112.8 | R668 R669 R670 | R668-K672 WeakPolarHBondContact O-CG 3.37Å; R668-K672 PolarHBondContact O-N 3.26Å; R669-K672 PolarHBondContact O-N 3Å; R670-K672 VanDerWaalsContact C-N 3.3Å; R670-K672 PolarHBondContact O-N 3.26Å |
| 673 | R | 76.6 | Confident | 72.6 | Confident | 209 Ų | 209 | 142.9 Ų | 142.9 | 79% | 0.789 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -70.8 | -39.9 | 175.7 | -84.8 | -177.2 | 165.2 | -171 | -4.9 | 112.2 | R669 R670 K675 K676 | R669-R673 PolarHBondContact O-N 3.03Å; R670-R673 VanDerWaalsContact O-N 3.08Å; R670-R673 PolarHBondContact O-N 3.06Å; R673-K675 VanDerWaalsContact C-N 3.25Å; R673-K675 PolarHBondContact O-N 3.19Å; R673-K676 PolarHBondContact O-N 2.89Å |
| 674 | S | 72.2 | Confident | 71.8 | Confident | 97 Ų | 97 | 145.6 Ų | 145.6 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -68.4 | -24.9 | 176.8 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | R670 A671 | R670-S674 PolarHBondContact O-N 3.3Å; A671-S674 PolarHBondContact O-OG 3.37Å |
| 675 | K | 68.7 | Low | 70.9 | Confident | 182 Ų | 182 | 145.5 Ų | 145.5 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -4.4 | 174.5 | -74.8 | -172 | 176 | -168.5 | 0 | 114.6 | A671 R673 | A671-K675 WeakPolarHBondContact O-CG 3.37Å; A671-K675 PolarHBondContact O-N 3.22Å; R673-K675 VanDerWaalsContact C-N 3.25Å; R673-K675 PolarHBondContact O-N 3.19Å |
| 676 | K | 58.5 | Low | 69.8 | Low | 165 Ų | 165 | 148.8 Ų | 148.8 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -79.6 | 121.3 | 170.5 | -84.1 | -168.6 | 171.3 | -167.1 | 0 | 108.3 | R673 R678 | R673-K676 PolarHBondContact O-N 2.89Å; K676-R678 PolarHBondContact O-N 2.85Å |
| 677 | P | 57.4 | Low | 68.7 | Low | 117 Ų | 117 | 155.1 Ų | 155.1 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -56.6 | 134.4 | 177.8 | 22 | -30.3 | 0 | 0 | 0 | 108.9 | L679 | P677-L679 PolarHBondContact O-N 2.86Š| ||
| 678 | R | 54.2 | Low | 67.4 | Low | 246 Ų | 246 | 158.4 Ų | 158.4 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | trans | -57.4 | 113.8 | 168.1 | -78.7 | -177.5 | 171.3 | -172.8 | -2.8 | 106 | K676 S680 | K676-R678 PolarHBondContact O-N 2.85Å; R678-S680 PolarHBondContact O-N 2.9Å | ||
| 679 | L | 51 | Low | 66 | Low | 173 Ų | 173 | 156 Ų | 156 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | -57.7 | 109.9 | 164.9 | -82 | 150 | 0 | 0 | 0 | 105.7 | P677 A681 | P677-L679 PolarHBondContact O-N 2.86Å; L679-A681 PolarHBondContact O-N 2.81Å | ||
| 680 | S | 50.5 | Low | 64.6 | Low | 115 Ų | 115 | 155.4 Ų | 155.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -54.2 | 116.9 | 166.7 | 46.9 | 0 | 0 | 0 | 0 | 107.7 | R678 | R678-S680 PolarHBondContact O-N 2.9Š| ||
| 681 | A | 44 | Very low | 63 | Low | 173 Ų | 173 | 153.5 Ų | 153.5 | 100% | 1.43 | 81% | 0.81 | S | S | * | * | trans | -79.7 | 0 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | L679 | L679-A681 PolarHBondContact O-N 2.81Š|
Retrieved 681 of 681 residues in 365 ms
(Link to these results)