| 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 | N | 66.6 | Low | 74.3 | Confident | 167 Ų | 167 | 117.3 Ų | 117.3 | 89% | 0.893 | 59% | 0.587 | S | S | * | * | 0 | -56.4 | 0 | -142.8 | -12 | 0 | 0 | 0 | 112.7 | S3 Y4 Q5 | N1-S3 PolarHBondContact O-N 3.22Å; N1-Y4 PolarHBondContact O-N 3.18Å; N1-Q5 PolarHBondContact O-N 3.09Å | |||
| 2 | K | 71.1 | Confident | 73.9 | Confident | 182 Ų | 182 | 115.2 Ų | 115.2 | 79% | 0.791 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.2 | -36.5 | 178.3 | -69.2 | -179.4 | 178.9 | 175.2 | 0 | 115.1 | Q5 N6 | K2-Q5 PolarHBondContact O-N 2.93Å; K2-N6 PolarHBondContact O-N 3.23Å; K2-N6 VanDerWaalsContact O-N 3.14Å; K2-N6 PolarHBondContact O-ND2 2.86Å |
| 3 | S | 72.3 | Confident | 73.6 | Confident | 86 Ų | 86 | 121.3 Ų | 121.3 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.1 | -45.5 | 178.6 | -156.4 | 0 | 0 | 0 | 0 | 112.9 | N1 Q5 N6 D7 | N1-S3 PolarHBondContact O-N 3.22Å; S3-Q5 VanDerWaalsContact C-N 3.32Å; S3-Q5 PolarHBondContact O-N 3.34Å; S3-N6 PolarHBondContact O-N 3.01Å; S3-D7 PolarHBondContact O-N 2.92Å; S3-D7 VanDerWaalsContact O-N 3.09Å |
| 4 | Y | 73.3 | Confident | 73.2 | Confident | 187 Ų | 187 | 122.9 Ų | 122.9 | 73% | 0.733 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.2 | -35.5 | 177.3 | -72 | -83.3 | 0 | 0 | 0 | 112.7 | N1 L8 | N1-Y4 PolarHBondContact O-N 3.18Å; Y4-L8 WeakPolarHBondContact O-CB 3.1Å; Y4-L8 PolarHBondContact O-N 3.23Å |
| 5 | Q | 75.8 | Confident | 73 | Confident | 108 Ų | 108 | 120.5 Ų | 120.5 | 51% | 0.505 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.6 | -40.5 | 173.5 | -91.9 | -87.1 | -43.2 | 0 | 0 | 112 | N1 K2 S3 L8 I9 | N1-Q5 PolarHBondContact O-N 3.09Å; K2-Q5 PolarHBondContact O-N 2.93Å; S3-Q5 VanDerWaalsContact C-N 3.32Å; S3-Q5 PolarHBondContact O-N 3.34Å; Q5-L8 PolarHBondContact O-N 3.23Å; Q5-I9 WeakPolarHBondContact O-CB 3.39Å; Q5-I9 VanDerWaalsContact O-CG1 3.24Å; Q5-I9 WeakPolarHBondContact O-CG1 3.1Å; Q5-I9 PolarHBondContact O-N 3.43Å |
| 6 | N | 76.9 | Confident | 72.9 | Confident | 105 Ų | 105 | 117.1 Ų | 117.1 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.5 | -40.5 | 179 | -69.3 | -27.8 | 0 | 0 | 0 | 112.4 | K2 S3 I9 Q10 | K2-N6 PolarHBondContact O-N 3.23Å; K2-N6 VanDerWaalsContact O-N 3.14Å; K2-N6 PolarHBondContact O-ND2 2.86Å; S3-N6 PolarHBondContact O-N 3.01Å; N6-I9 PolarHBondContact O-N 2.99Å; N6-Q10 PolarHBondContact O-N 2.92Å |
| 7 | D | 78.8 | Confident | 73 | Confident | 94 Ų | 94 | 114 Ų | 114 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.7 | -42.7 | 174.3 | -101.4 | -21.9 | 0 | 0 | 0 | 112 | S3 Q10 T11 | S3-D7 PolarHBondContact O-N 2.92Å; S3-D7 VanDerWaalsContact O-N 3.09Å; D7-Q10 PolarHBondContact O-N 3.32Å; D7-T11 VanDerWaalsContact O-CB 3.31Å; D7-T11 WeakPolarHBondContact O-CB 3.38Å; D7-T11 PolarHBondContact O-N 3.25Å; D7-T11 PolarHBondContact O-OG1 3.45Å |
| 8 | L | 79.1 | Confident | 72.7 | Confident | 96 Ų | 96 | 112.3 Ų | 112.3 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.5 | -42.7 | 178 | -172.7 | 67.3 | 0 | 0 | 0 | 111.3 | Y4 Q5 T11 I12 | Y4-L8 WeakPolarHBondContact O-CB 3.1Å; Y4-L8 PolarHBondContact O-N 3.23Å; Q5-L8 PolarHBondContact O-N 3.23Å; L8-T11 PolarHBondContact O-N 2.9Å; L8-I12 HydrophobicContact CD1-CD1 4.36Å; L8-I12 HydrophobicContact CG-CD1 3.93Å; L8-I12 WeakPolarHBondContact O-CB 3.13Å; L8-I12 WeakPolarHBondContact O-CD1 3.49Å; L8-I12 WeakPolarHBondContact O-CG1 3.46Å; L8-I12 PolarHBondContact O-N 3.18Å |
| 9 | I | 76.2 | Confident | 72.7 | Confident | 77 Ų | 77 | 110.3 Ų | 110.3 | 40% | 0.395 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.2 | -39.2 | 177.8 | -69.6 | 168.8 | 0 | 0 | 0 | 111.3 | Q5 N6 I12 R13 | Q5-I9 WeakPolarHBondContact O-CB 3.39Å; Q5-I9 VanDerWaalsContact O-CG1 3.24Å; Q5-I9 WeakPolarHBondContact O-CG1 3.1Å; Q5-I9 PolarHBondContact O-N 3.43Å; N6-I9 PolarHBondContact O-N 2.99Å; I9-I12 PolarHBondContact O-N 3.14Å; I9-R13 WeakPolarHBondContact O-CB 3.07Å; I9-R13 PolarHBondContact O-N 3.04Å |
| 10 | Q | 75.6 | Confident | 73 | Confident | 122 Ų | 122 | 112.6 Ų | 112.6 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.5 | -44.1 | 174 | -104.7 | -173 | -26.3 | 0 | 0 | 111.7 | N6 D7 R13 Q14 | N6-Q10 PolarHBondContact O-N 2.92Å; D7-Q10 PolarHBondContact O-N 3.32Å; Q10-R13 PolarHBondContact O-N 2.78Å; Q10-Q14 PolarHBondContact O-N 3.49Å |
| 11 | T | 71.2 | Confident | 73.1 | Confident | 66 Ų | 66 | 111.2 Ų | 111.2 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.2 | -42.8 | 178 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | D7 L8 Q14 N15 | D7-T11 VanDerWaalsContact O-CB 3.31Å; D7-T11 WeakPolarHBondContact O-CB 3.38Å; D7-T11 PolarHBondContact O-N 3.25Å; D7-T11 PolarHBondContact O-OG1 3.45Å; L8-T11 PolarHBondContact O-N 2.9Å; T11-Q14 PolarHBondContact O-N 2.63Å; T11-N15 WeakPolarHBondContact O-CB 3.32Å; T11-N15 PolarHBondContact O-N 3.15Å; T11-N15 PolarHBondContact O-ND2 2.88Å |
| 12 | I | 70.4 | Confident | 73.4 | Confident | 92 Ų | 92 | 106 Ų | 106 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 175.2 | -68.4 | 165.8 | 0 | 0 | 0 | 110.3 | L8 I9 Q14 N15 V16 | L8-I12 HydrophobicContact CD1-CD1 4.36Å; L8-I12 HydrophobicContact CG-CD1 3.93Å; L8-I12 WeakPolarHBondContact O-CB 3.13Å; L8-I12 WeakPolarHBondContact O-CD1 3.49Å; L8-I12 WeakPolarHBondContact O-CG1 3.46Å; L8-I12 PolarHBondContact O-N 3.18Å; I9-I12 PolarHBondContact O-N 3.14Å; I12-Q14 VanDerWaalsContact C-N 3.27Å; I12-Q14 PolarHBondContact O-N 2.86Å; I12-N15 PolarHBondContact O-N 3.15Å; I12-V16 HydrophobicContact CG2-CG2 4.09Å; I12-V16 WeakPolarHBondContact O-CG2 2.97Å; I12-V16 PolarHBondContact O-N 2.87Å |
| 13 | R | 70 | Confident | 73.8 | Confident | 195 Ų | 195 | 103.8 Ų | 103.8 | 74% | 0.736 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.2 | -35.1 | 177.1 | -85.5 | -160.5 | -155 | -177 | 8 | 113.1 | I9 Q10 P17 | I9-R13 WeakPolarHBondContact O-CB 3.07Å; I9-R13 PolarHBondContact O-N 3.04Å; Q10-R13 PolarHBondContact O-N 2.78Å; R13-P17 WeakPolarHBondContact O-CD 3.33Å |
| 14 | Q | 68.1 | Low | 74.1 | Confident | 143 Ų | 143 | 105.9 Ų | 105.9 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -77.1 | -32.3 | 177.8 | -77.2 | -178.1 | -15.3 | 0 | 0 | 112.9 | Q10 T11 I12 P17 | Q10-Q14 PolarHBondContact O-N 3.49Å; T11-Q14 PolarHBondContact O-N 2.63Å; I12-Q14 VanDerWaalsContact C-N 3.27Å; I12-Q14 PolarHBondContact O-N 2.86Å; Q14-P17 VanDerWaalsContact O-CD 3.31Å; Q14-P17 WeakPolarHBondContact O-CD 3.43Å; Q14-P17 VanDerWaalsContact O-CG 3.29Å; Q14-P17 WeakPolarHBondContact O-CG 3.39Å |
| 15 | N | 69.3 | Low | 74.1 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -81.2 | -27.9 | 178.6 | -76.5 | -37.9 | 0 | 0 | 0 | 113.9 | T11 I12 C18 V19 | T11-N15 WeakPolarHBondContact O-CB 3.32Å; T11-N15 PolarHBondContact O-N 3.15Å; T11-N15 PolarHBondContact O-ND2 2.88Å; I12-N15 PolarHBondContact O-N 3.15Å; N15-C18 PolarHBondContact O-N 3.16Å; N15-V19 WeakPolarHBondContact O-CB 3.22Å; N15-V19 VanDerWaalsContact O-CG2 3.31Å; N15-V19 WeakPolarHBondContact O-CG2 3.43Å; N15-V19 PolarHBondContact O-N 2.83Å |
| 16 | V | 72.1 | Confident | 73.8 | Confident | 65 Ų | 65 | 104.6 Ų | 104.6 | 39% | 0.394 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.1 | -47.3 | 176.5 | 167.9 | 0 | 0 | 0 | 0 | 113.8 | I12 R20 | I12-V16 HydrophobicContact CG2-CG2 4.09Å; I12-V16 WeakPolarHBondContact O-CG2 2.97Å; I12-V16 PolarHBondContact O-N 2.87Å; V16-R20 WeakPolarHBondContact O-CB 3.04Å; V16-R20 PolarHBondContact O-N 3.39Å |
| 17 | P | 74.1 | Confident | 73.5 | Confident | 65 Ų | 65 | 104.6 Ų | 104.6 | 42% | 0.422 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 175.7 | 25.3 | -33.1 | 0 | 0 | 0 | 111.8 | R13 Q14 R20 T21 | R13-P17 WeakPolarHBondContact O-CD 3.33Å; Q14-P17 VanDerWaalsContact O-CD 3.31Å; Q14-P17 WeakPolarHBondContact O-CD 3.43Å; Q14-P17 VanDerWaalsContact O-CG 3.29Å; Q14-P17 WeakPolarHBondContact O-CG 3.39Å; P17-R20 PolarHBondContact O-N 2.85Å; P17-T21 WeakPolarHBondContact O-CB 3.35Å; P17-T21 PolarHBondContact O-N 3.15Å; P17-T21 PolarHBondContact O-OG1 3.38Å |
| 18 | C | 68.2 | Low | 73.1 | Confident | 83 Ų | 83 | 106 Ų | 106 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.8 | -47.6 | 176.3 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | N15 R20 T21 A22 | N15-C18 PolarHBondContact O-N 3.16Å; C18-R20 PolarHBondContact O-N 3.05Å; C18-T21 PolarHBondContact O-N 2.81Å; C18-A22 WeakPolarHBondContact O-CB 3.41Å; C18-A22 PolarHBondContact O-N 3.19Å |
| 19 | V | 73.1 | Confident | 72.6 | Confident | 75 Ų | 75 | 104.4 Ų | 104.4 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 176.4 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | N15 K23 | N15-V19 WeakPolarHBondContact O-CB 3.22Å; N15-V19 VanDerWaalsContact O-CG2 3.31Å; N15-V19 WeakPolarHBondContact O-CG2 3.43Å; N15-V19 PolarHBondContact O-N 2.83Å; V19-K23 HydrophobicContact CG1-CD 4.23Å; V19-K23 WeakPolarHBondContact O-CB 3.36Å; V19-K23 VanDerWaalsContact O-CG 3.28Å; V19-K23 WeakPolarHBondContact O-CG 3.33Å; V19-K23 PolarHBondContact O-N 2.95Å |
| 20 | R | 77.3 | Confident | 72.1 | Confident | 155 Ų | 155 | 104.5 Ų | 104.5 | 59% | 0.585 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.5 | -40.1 | 176.5 | -175.1 | -180 | -71.1 | 162.7 | -3.4 | 111.7 | V16 P17 C18 K24 | V16-R20 WeakPolarHBondContact O-CB 3.04Å; V16-R20 PolarHBondContact O-N 3.39Å; P17-R20 PolarHBondContact O-N 2.85Å; C18-R20 PolarHBondContact O-N 3.05Å; R20-K24 WeakPolarHBondContact O-CB 3.22Å; R20-K24 WeakPolarHBondContact O-CG 3.13Å; R20-K24 PolarHBondContact O-N 3.38Å |
| 21 | T | 76.5 | Confident | 72 | Confident | 85 Ų | 85 | 101.3 Ų | 101.3 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 176.1 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | P17 C18 K24 M25 | P17-T21 WeakPolarHBondContact O-CB 3.35Å; P17-T21 PolarHBondContact O-N 3.15Å; P17-T21 PolarHBondContact O-OG1 3.38Å; C18-T21 PolarHBondContact O-N 2.81Å; T21-K24 PolarHBondContact O-N 3.49Å; T21-M25 WeakPolarHBondContact O-CB 3.17Å; T21-M25 PolarHBondContact O-N 2.76Å |
| 22 | A | 73.1 | Confident | 72.1 | Confident | 58 Ų | 58 | 100.8 Ų | 100.8 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | C18 M25 F26 | C18-A22 WeakPolarHBondContact O-CB 3.41Å; C18-A22 PolarHBondContact O-N 3.19Å; A22-M25 PolarHBondContact O-N 3.31Å; A22-F26 WeakPolarHBondContact O-CB 3.24Å; A22-F26 PolarHBondContact O-N 2.72Å |
| 23 | K | 78.8 | Confident | 72.4 | Confident | 134 Ų | 134 | 102.2 Ų | 102.2 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 173.2 | -76 | 179.1 | 179.8 | -174.5 | 0 | 112.3 | V19 F26 L27 | V19-K23 HydrophobicContact CG1-CD 4.23Å; V19-K23 WeakPolarHBondContact O-CB 3.36Å; V19-K23 VanDerWaalsContact O-CG 3.28Å; V19-K23 WeakPolarHBondContact O-CG 3.33Å; V19-K23 PolarHBondContact O-N 2.95Å; K23-F26 PolarHBondContact O-N 3.02Å; K23-L27 WeakPolarHBondContact O-CB 3.34Å; K23-L27 VanDerWaalsContact O-CG 3.23Å; K23-L27 WeakPolarHBondContact O-CG 3.12Å; K23-L27 PolarHBondContact O-N 2.8Å |
| 24 | K | 79.1 | Confident | 73 | Confident | 130 Ų | 130 | 98.7 Ų | 98.7 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 175.1 | -81.7 | -177.4 | 175.3 | -171.9 | 0 | 111.7 | R20 T21 F26 L27 L28 | R20-K24 WeakPolarHBondContact O-CB 3.22Å; R20-K24 WeakPolarHBondContact O-CG 3.13Å; R20-K24 PolarHBondContact O-N 3.38Å; T21-K24 PolarHBondContact O-N 3.49Å; K24-F26 VanDerWaalsContact C-N 3.35Å; K24-L27 PolarHBondContact O-N 3.49Å; K24-L28 VanDerWaalsContact O-CB 3.32Å; K24-L28 WeakPolarHBondContact O-CB 3.49Å; K24-L28 WeakPolarHBondContact O-CD1 3.44Å; K24-L28 WeakPolarHBondContact O-CG 3.01Å; K24-L28 PolarHBondContact O-N 2.68Å |
| 25 | M | 71.9 | Confident | 73.9 | Confident | 136 Ų | 136 | 97.2 Ų | 97.2 | 67% | 0.67 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 177.5 | -173.9 | 176 | -77.5 | 0 | 0 | 111.7 | T21 A22 S29 | T21-M25 WeakPolarHBondContact O-CB 3.17Å; T21-M25 PolarHBondContact O-N 2.76Å; A22-M25 PolarHBondContact O-N 3.31Å; M25-S29 WeakPolarHBondContact O-CB 3.01Å; M25-S29 PolarHBondContact O-N 3.17Å |
| 26 | F | 71.1 | Confident | 74.7 | Confident | 133 Ų | 133 | 99.4 Ų | 99.4 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.1 | -43.7 | 175 | -174.5 | -104.6 | 0 | 0 | 0 | 112.4 | A22 K23 K24 S29 L30 | A22-F26 WeakPolarHBondContact O-CB 3.24Å; A22-F26 PolarHBondContact O-N 2.72Å; K23-F26 PolarHBondContact O-N 3.02Å; K24-F26 VanDerWaalsContact C-N 3.35Å; F26-S29 PolarHBondContact O-N 3.16Å; F26-L30 HydrophobicContact CD1-CD1 3.82Å; F26-L30 HydrophobicContact CD1-CG 4.38Å; F26-L30 HydrophobicContact CE1-CD1 3.33Å; F26-L30 HydrophobicContact CE1-CG 4.1Å; F26-L30 HydrophobicContact CZ-CD1 3.8Å; F26-L30 HydrophobicContact CZ-CD2 4.38Å; F26-L30 HydrophobicContact CZ-CG 4.21Å; F26-L30 WeakPolarHBondContact O-CG 3.26Å; F26-L30 PolarHBondContact O-N 3.23Å |
| 27 | L | 70.1 | Confident | 75.6 | Confident | 105 Ų | 105 | 99.8 Ų | 99.8 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 175.3 | -72.3 | 176.5 | 0 | 0 | 0 | 111.7 | K23 K24 S29 L30 S31 | K23-L27 WeakPolarHBondContact O-CB 3.34Å; K23-L27 VanDerWaalsContact O-CG 3.23Å; K23-L27 WeakPolarHBondContact O-CG 3.12Å; K23-L27 PolarHBondContact O-N 2.8Å; K24-L27 PolarHBondContact O-N 3.49Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 2.72Å; L27-L30 PolarHBondContact O-N 3.07Å; L27-S31 WeakPolarHBondContact O-CB 3.33Å; L27-S31 PolarHBondContact O-N 2.91Å; L27-S31 PolarHBondContact O-OG 3.47Å |
| 28 | L | 70.8 | Confident | 76.4 | Confident | 124 Ų | 124 | 102.3 Ų | 102.3 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | 174.5 | -72.9 | 165.9 | 0 | 0 | 0 | 111.7 | K24 S31 S32 | K24-L28 VanDerWaalsContact O-CB 3.32Å; K24-L28 WeakPolarHBondContact O-CB 3.49Å; K24-L28 WeakPolarHBondContact O-CD1 3.44Å; K24-L28 WeakPolarHBondContact O-CG 3.01Å; K24-L28 PolarHBondContact O-N 2.68Å; L28-S31 PolarHBondContact O-N 3.33Å; L28-S32 PolarHBondContact O-N 3.3Å; L28-S32 PolarHBondContact O-OG 3.43Å |
| 29 | S | 67.9 | Low | 77.5 | Confident | 62 Ų | 62 | 102.7 Ų | 102.7 | 43% | 0.434 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.8 | -37 | 175.7 | -173.8 | 0 | 0 | 0 | 0 | 112.5 | M25 F26 L27 S32 E33 | M25-S29 WeakPolarHBondContact O-CB 3.01Å; M25-S29 PolarHBondContact O-N 3.17Å; F26-S29 PolarHBondContact O-N 3.16Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 2.72Å; S29-S32 PolarHBondContact O-OG 2.7Å; S29-E33 VanDerWaalsContact O-CG 3.29Å; S29-E33 WeakPolarHBondContact O-CG 2.96Å; S29-E33 PolarHBondContact O-N 2.64Å |
| 30 | L | 66.6 | Low | 78.5 | Confident | 79 Ų | 79 | 102.2 Ų | 102.2 | 41% | 0.414 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.9 | -36.2 | 174.1 | -68.9 | 179.2 | 0 | 0 | 0 | 111.9 | F26 L27 L34 | F26-L30 HydrophobicContact CD1-CD1 3.82Å; F26-L30 HydrophobicContact CD1-CG 4.38Å; F26-L30 HydrophobicContact CE1-CD1 3.33Å; F26-L30 HydrophobicContact CE1-CG 4.1Å; F26-L30 HydrophobicContact CZ-CD1 3.8Å; F26-L30 HydrophobicContact CZ-CD2 4.38Å; F26-L30 HydrophobicContact CZ-CG 4.21Å; F26-L30 WeakPolarHBondContact O-CG 3.26Å; F26-L30 PolarHBondContact O-N 3.23Å; L27-L30 PolarHBondContact O-N 3.07Å; L30-L34 WeakPolarHBondContact O-CB 3.37Å; L30-L34 WeakPolarHBondContact O-CG 3.22Å; L30-L34 PolarHBondContact O-N 3.3Å; L30-L34 VanDerWaalsContact O-N 3.09Å |
| 31 | S | 72.3 | Confident | 79.3 | Confident | 54 Ų | 54 | 99.4 Ų | 99.4 | 38% | 0.378 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 175.4 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | L27 L28 E33 L34 E35 | L27-S31 WeakPolarHBondContact O-CB 3.33Å; L27-S31 PolarHBondContact O-N 2.91Å; L27-S31 PolarHBondContact O-OG 3.47Å; L28-S31 PolarHBondContact O-N 3.33Å; S31-E33 VanDerWaalsContact C-N 3.35Å; S31-E33 PolarHBondContact O-N 3.17Å; S31-L34 PolarHBondContact O-N 3.22Å; S31-E35 VanDerWaalsContact O-CB 3.23Å; S31-E35 WeakPolarHBondContact O-CB 3.27Å; S31-E35 WeakPolarHBondContact O-CG 3.48Å; S31-E35 PolarHBondContact O-N 3.45Å |
| 32 | S | 73.8 | Confident | 80.1 | Confident | 56 Ų | 56 | 99.3 Ų | 99.3 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 180 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | L28 S29 F36 | L28-S32 PolarHBondContact O-N 3.3Å; L28-S32 PolarHBondContact O-OG 3.43Å; S29-S32 PolarHBondContact O-OG 2.7Å; S32-F36 PolarHBondContact O-N 2.71Å |
| 33 | E | 77 | Confident | 81.1 | Confident | 122 Ų | 122 | 101.1 Ų | 101.1 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.3 | -44.3 | 177.5 | -66.4 | -68.1 | 160.2 | 0 | 0 | 111.3 | S29 S31 F36 V37 | S29-E33 VanDerWaalsContact O-CG 3.29Å; S29-E33 WeakPolarHBondContact O-CG 2.96Å; S29-E33 PolarHBondContact O-N 2.64Å; S31-E33 VanDerWaalsContact C-N 3.35Å; S31-E33 PolarHBondContact O-N 3.17Å; E33-F36 PolarHBondContact O-N 2.81Å; E33-V37 WeakPolarHBondContact O-CG2 3.44Å; E33-V37 PolarHBondContact O-N 2.83Å |
| 34 | L | 81.8 | Confident | 82 | Confident | 120 Ų | 120 | 98.4 Ų | 98.4 | 63% | 0.628 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68 | -37.1 | 176.7 | -73 | 170.1 | 0 | 0 | 0 | 112.1 | L30 S31 V37 Q38 | L30-L34 WeakPolarHBondContact O-CB 3.37Å; L30-L34 WeakPolarHBondContact O-CG 3.22Å; L30-L34 PolarHBondContact O-N 3.3Å; L30-L34 VanDerWaalsContact O-N 3.09Å; S31-L34 PolarHBondContact O-N 3.22Å; L34-V37 PolarHBondContact O-N 3.28Å; L34-Q38 WeakPolarHBondContact O-CB 3.28Å; L34-Q38 PolarHBondContact O-N 3.49Å |
| 35 | E | 87.3 | Confident | 82.8 | Confident | 112 Ų | 112 | 96.2 Ų | 96.2 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 173.9 | -78 | 171.2 | 179.5 | 0 | 0 | 110.8 | S31 Q38 I39 | S31-E35 VanDerWaalsContact O-CB 3.23Å; S31-E35 WeakPolarHBondContact O-CB 3.27Å; S31-E35 WeakPolarHBondContact O-CG 3.48Å; S31-E35 PolarHBondContact O-N 3.45Å; E35-Q38 PolarHBondContact O-N 2.81Å; E35-I39 VanDerWaalsContact O-CB 3.3Å; E35-I39 WeakPolarHBondContact O-CB 3.31Å; E35-I39 VanDerWaalsContact O-CD1 3.29Å; E35-I39 WeakPolarHBondContact O-CD1 3.25Å; E35-I39 WeakPolarHBondContact O-CG1 3.21Å; E35-I39 PolarHBondContact O-N 3.1Å |
| 36 | F | 86.8 | Confident | 83.9 | Confident | 135 Ų | 135 | 95.5 Ų | 95.5 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.5 | -48.5 | 177 | 179.9 | -102.1 | 0 | 0 | 0 | 112 | S32 E33 Q38 I39 V40 | S32-F36 PolarHBondContact O-N 2.71Å; E33-F36 PolarHBondContact O-N 2.81Å; F36-Q38 VanDerWaalsContact C-N 3.35Å; F36-Q38 PolarHBondContact O-N 3.39Å; F36-I39 PolarHBondContact O-N 3.37Å; F36-V40 HydrophobicContact CD1-CG2 4.48Å; F36-V40 HydrophobicContact CE1-CG2 4.1Å; F36-V40 HydrophobicContact CE2-CG2 4.34Å; F36-V40 HydrophobicContact CZ-CG2 4.02Å; F36-V40 WeakPolarHBondContact O-CG2 3.29Å; F36-V40 PolarHBondContact O-N 2.83Å |
| 37 | V | 89.4 | Confident | 85.1 | Confident | 73 Ų | 73 | 92.8 Ų | 92.8 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 178.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | E33 L34 V40 I41 | E33-V37 WeakPolarHBondContact O-CG2 3.44Å; E33-V37 PolarHBondContact O-N 2.83Å; L34-V37 PolarHBondContact O-N 3.28Å; V37-V40 PolarHBondContact O-N 3.33Å; V37-I41 HydrophobicContact CG1-CD1 3.74Å; V37-I41 HydrophobicContact CG1-CG1 4.4Å; V37-I41 WeakPolarHBondContact O-CB 3.46Å; V37-I41 WeakPolarHBondContact O-CG1 3.2Å; V37-I41 PolarHBondContact O-N 2.82Å |
| 38 | Q | 92.1 | Very high | 86.3 | Confident | 117 Ų | 117 | 91.7 Ų | 91.7 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 176.4 | -178.4 | 176.2 | 1 | 0 | 0 | 111.7 | L34 E35 F36 V40 I41 I42 | L34-Q38 WeakPolarHBondContact O-CB 3.28Å; L34-Q38 PolarHBondContact O-N 3.49Å; E35-Q38 PolarHBondContact O-N 2.81Å; F36-Q38 VanDerWaalsContact C-N 3.35Å; F36-Q38 PolarHBondContact O-N 3.39Å; Q38-V40 VanDerWaalsContact C-N 3.33Å; Q38-V40 PolarHBondContact O-N 2.74Å; Q38-I41 PolarHBondContact O-N 3.2Å; Q38-I42 HydrophobicContact CG-CD1 3.79Å; Q38-I42 HydrophobicContact CG-CG1 4.36Å; Q38-I42 WeakPolarHBondContact O-CB 3.2Å; Q38-I42 WeakPolarHBondContact O-CG1 3.38Å; Q38-I42 PolarHBondContact O-N 3.46Å |
| 39 | I | 90.9 | Very high | 87.5 | Confident | 92 Ų | 92 | 90.6 Ų | 90.6 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 174.9 | -71.6 | 161.4 | 0 | 0 | 0 | 110.1 | E35 F36 I42 I43 | E35-I39 VanDerWaalsContact O-CB 3.3Å; E35-I39 WeakPolarHBondContact O-CB 3.31Å; E35-I39 VanDerWaalsContact O-CD1 3.29Å; E35-I39 WeakPolarHBondContact O-CD1 3.25Å; E35-I39 WeakPolarHBondContact O-CG1 3.21Å; E35-I39 PolarHBondContact O-N 3.1Å; F36-I39 PolarHBondContact O-N 3.37Å; I39-I42 PolarHBondContact O-N 2.86Å; I39-I43 HydrophobicContact CG2-CD1 3.79Å; I39-I43 HydrophobicContact CG2-CG1 4.47Å; I39-I43 VanDerWaalsContact O-CG1 3.27Å; I39-I43 WeakPolarHBondContact O-CG1 3.42Å; I39-I43 PolarHBondContact O-N 3.46Å |
| 40 | V | 93.3 | Very high | 88.7 | Confident | 64 Ų | 64 | 91 Ų | 91 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 111 | F36 V37 Q38 I42 I43 V44 | F36-V40 HydrophobicContact CD1-CG2 4.48Å; F36-V40 HydrophobicContact CE1-CG2 4.1Å; F36-V40 HydrophobicContact CE2-CG2 4.34Å; F36-V40 HydrophobicContact CZ-CG2 4.02Å; F36-V40 WeakPolarHBondContact O-CG2 3.29Å; F36-V40 PolarHBondContact O-N 2.83Å; V37-V40 PolarHBondContact O-N 3.33Å; Q38-V40 VanDerWaalsContact C-N 3.33Å; Q38-V40 PolarHBondContact O-N 2.74Å; V40-I42 PolarHBondContact O-N 2.84Å; V40-I43 PolarHBondContact O-N 2.79Å; V40-V44 HydrophobicContact CG1-CG2 4.41Å; V40-V44 VanDerWaalsContact O-CG2 3.28Å; V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.35Å |
| 41 | I | 94.2 | Very high | 90.1 | Very high | 97 Ų | 97 | 91.2 Ų | 91.2 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 176.5 | -69 | 165.4 | 0 | 0 | 0 | 110.8 | V37 Q38 I43 V44 V45 | V37-I41 HydrophobicContact CG1-CD1 3.74Å; V37-I41 HydrophobicContact CG1-CG1 4.4Å; V37-I41 WeakPolarHBondContact O-CB 3.46Å; V37-I41 WeakPolarHBondContact O-CG1 3.2Å; V37-I41 PolarHBondContact O-N 2.82Å; Q38-I41 PolarHBondContact O-N 3.2Å; I41-I43 VanDerWaalsContact C-N 3.35Å; I41-I43 PolarHBondContact O-N 3.45Å; I41-V44 PolarHBondContact O-N 3.32Å; I41-V45 HydrophobicContact CG2-CG2 4.26Å; I41-V45 WeakPolarHBondContact O-CB 3.39Å; I41-V45 VanDerWaalsContact O-CG2 3.29Å; I41-V45 WeakPolarHBondContact O-CG2 3.32Å; I41-V45 PolarHBondContact O-N 3.37Å |
| 42 | I | 93.5 | Very high | 91.1 | Very high | 83 Ų | 83 | 91.4 Ų | 91.4 | 43% | 0.426 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 177.4 | -71 | 165.7 | 0 | 0 | 0 | 110.3 | Q38 I39 V40 V45 M46 | Q38-I42 HydrophobicContact CG-CD1 3.79Å; Q38-I42 HydrophobicContact CG-CG1 4.36Å; Q38-I42 WeakPolarHBondContact O-CB 3.2Å; Q38-I42 WeakPolarHBondContact O-CG1 3.38Å; Q38-I42 PolarHBondContact O-N 3.46Å; I39-I42 PolarHBondContact O-N 2.86Å; V40-I42 PolarHBondContact O-N 2.84Å; I42-V45 PolarHBondContact O-N 2.78Å; I42-M46 VanDerWaalsContact O-CB 3.31Å; I42-M46 WeakPolarHBondContact O-CB 3.35Å; I42-M46 PolarHBondContact O-N 3.04Å |
| 43 | I | 94.9 | Very high | 92 | Very high | 95 Ų | 95 | 93.3 Ų | 93.3 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 177.2 | -68.7 | 167.8 | 0 | 0 | 0 | 110.6 | I39 V40 I41 M46 T47 | I39-I43 HydrophobicContact CG2-CD1 3.79Å; I39-I43 HydrophobicContact CG2-CG1 4.47Å; I39-I43 VanDerWaalsContact O-CG1 3.27Å; I39-I43 WeakPolarHBondContact O-CG1 3.42Å; I39-I43 PolarHBondContact O-N 3.46Å; V40-I43 PolarHBondContact O-N 2.79Å; I41-I43 VanDerWaalsContact C-N 3.35Å; I41-I43 PolarHBondContact O-N 3.45Å; I43-M46 PolarHBondContact O-N 2.86Å; I43-T47 HydrophobicContact CG2-CG2 4.17Å; I43-T47 VanDerWaalsContact O-CB 3.32Å; I43-T47 WeakPolarHBondContact O-CB 3.18Å; I43-T47 WeakPolarHBondContact O-CG2 3.4Å; I43-T47 PolarHBondContact O-N 3.48Å; I43-T47 PolarHBondContact O-OG1 3.28Å |
| 44 | V | 96.9 | Very high | 92.7 | Very high | 77 Ų | 77 | 92.2 Ų | 92.2 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | V40 I41 T47 V48 | V40-V44 HydrophobicContact CG1-CG2 4.41Å; V40-V44 VanDerWaalsContact O-CG2 3.28Å; V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.35Å; I41-V44 PolarHBondContact O-N 3.32Å; V44-T47 WeakPolarHBondContact CA-OG1 3.24Å; V44-T47 PolarHBondContact O-N 3.18Å; V44-T47 PolarHBondContact O-OG1 2.85Å; V44-V48 HydrophobicContact CG1-CG2 4.33Å; V44-V48 WeakPolarHBondContact O-CB 3.31Å; V44-V48 WeakPolarHBondContact O-CG2 3.2Å; V44-V48 PolarHBondContact O-N 2.96Å |
| 45 | V | 96.6 | Very high | 93 | Very high | 84 Ų | 84 | 89.9 Ų | 89.9 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | I41 I42 V48 M49 | I41-V45 HydrophobicContact CG2-CG2 4.26Å; I41-V45 WeakPolarHBondContact O-CB 3.39Å; I41-V45 VanDerWaalsContact O-CG2 3.29Å; I41-V45 WeakPolarHBondContact O-CG2 3.32Å; I41-V45 PolarHBondContact O-N 3.37Å; I42-V45 PolarHBondContact O-N 2.78Å; V45-V48 PolarHBondContact O-N 2.81Å; V45-M49 HydrophobicContact CG1-CG 4.38Å; V45-M49 WeakPolarHBondContact O-CB 3.39Å; V45-M49 WeakPolarHBondContact O-CG 3.36Å; V45-M49 PolarHBondContact O-N 3.47Å |
| 46 | M | 95.8 | Very high | 93.1 | Very high | 122 Ų | 122 | 89.7 Ų | 89.7 | 60% | 0.601 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.6 | -47.4 | 174.7 | -97 | -171.3 | 65.2 | 0 | 0 | 111.6 | I42 I43 M49 V50 | I42-M46 VanDerWaalsContact O-CB 3.31Å; I42-M46 WeakPolarHBondContact O-CB 3.35Å; I42-M46 PolarHBondContact O-N 3.04Å; I43-M46 PolarHBondContact O-N 2.86Å; M46-M49 PolarHBondContact O-N 2.9Å; M46-V50 WeakPolarHBondContact O-CB 3.22Å; M46-V50 VanDerWaalsContact O-CG2 3.24Å; M46-V50 WeakPolarHBondContact O-CG2 3.49Å; M46-V50 PolarHBondContact O-N 3.33Å |
| 47 | T | 94.9 | Very high | 92.9 | Very high | 75 Ų | 75 | 87.9 Ų | 87.9 | 46% | 0.46 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | -179.3 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | I43 V44 V50 V51 | I43-T47 HydrophobicContact CG2-CG2 4.17Å; I43-T47 VanDerWaalsContact O-CB 3.32Å; I43-T47 WeakPolarHBondContact O-CB 3.18Å; I43-T47 WeakPolarHBondContact O-CG2 3.4Å; I43-T47 PolarHBondContact O-N 3.48Å; I43-T47 PolarHBondContact O-OG1 3.28Å; V44-T47 WeakPolarHBondContact CA-OG1 3.24Å; V44-T47 PolarHBondContact O-N 3.18Å; V44-T47 PolarHBondContact O-OG1 2.85Å; T47-V50 PolarHBondContact O-N 3.28Å; T47-V51 WeakPolarHBondContact O-CB 3.45Å; T47-V51 VanDerWaalsContact O-CG2 3.25Å; T47-V51 WeakPolarHBondContact O-CG2 3.29Å; T47-V51 PolarHBondContact O-N 3.47Å |
| 48 | V | 96.4 | Very high | 92.6 | Very high | 82 Ų | 82 | 88.3 Ų | 88.3 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 172.5 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | V44 V45 V50 V51 V52 | V44-V48 HydrophobicContact CG1-CG2 4.33Å; V44-V48 WeakPolarHBondContact O-CB 3.31Å; V44-V48 WeakPolarHBondContact O-CG2 3.2Å; V44-V48 PolarHBondContact O-N 2.96Å; V45-V48 PolarHBondContact O-N 2.81Å; V48-V50 PolarHBondContact O-N 2.8Å; V48-V51 PolarHBondContact O-N 3.33Å; V48-V52 HydrophobicContact CG1-CG2 4.39Å; V48-V52 WeakPolarHBondContact O-CB 3.32Å; V48-V52 VanDerWaalsContact O-CG2 3.27Å; V48-V52 WeakPolarHBondContact O-CG2 3.3Å; V48-V52 PolarHBondContact O-N 2.87Å |
| 49 | M | 94.4 | Very high | 92.3 | Very high | 102 Ų | 102 | 89.2 Ų | 89.2 | 50% | 0.502 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 175.9 | -74 | -90.9 | 79.1 | 0 | 0 | 111.9 | V45 M46 V52 I53 | V45-M49 HydrophobicContact CG1-CG 4.38Å; V45-M49 WeakPolarHBondContact O-CB 3.39Å; V45-M49 WeakPolarHBondContact O-CG 3.36Å; V45-M49 PolarHBondContact O-N 3.47Å; M46-M49 PolarHBondContact O-N 2.9Å; M49-V52 PolarHBondContact O-N 3.44Å; M49-I53 VanDerWaalsContact O-CG1 3.28Å; M49-I53 WeakPolarHBondContact O-CG1 3.27Å; M49-I53 PolarHBondContact O-N 3.48Å |
| 50 | V | 94.7 | Very high | 91.9 | Very high | 70 Ų | 70 | 93.4 Ų | 93.4 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.2 | 169.6 | 0 | 0 | 0 | 0 | 111 | M46 T47 V48 V52 I53 I54 | M46-V50 WeakPolarHBondContact O-CB 3.22Å; M46-V50 VanDerWaalsContact O-CG2 3.24Å; M46-V50 WeakPolarHBondContact O-CG2 3.49Å; M46-V50 PolarHBondContact O-N 3.33Å; T47-V50 PolarHBondContact O-N 3.28Å; V48-V50 PolarHBondContact O-N 2.8Å; V50-V52 VanDerWaalsContact C-N 3.35Å; V50-V52 PolarHBondContact O-N 3.48Å; V50-I53 PolarHBondContact O-N 2.79Å; V50-I54 HydrophobicContact CG1-CD1 3.58Å; V50-I54 HydrophobicContact CG1-CG1 4.28Å; V50-I54 WeakPolarHBondContact O-CB 3.38Å; V50-I54 WeakPolarHBondContact O-CG1 3.04Å; V50-I54 PolarHBondContact O-N 3.31Å |
| 51 | V | 94.6 | Very high | 90.7 | Very high | 83 Ų | 83 | 96.3 Ų | 96.3 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 174.3 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | T47 V48 I54 C55 | T47-V51 WeakPolarHBondContact O-CB 3.45Å; T47-V51 VanDerWaalsContact O-CG2 3.25Å; T47-V51 WeakPolarHBondContact O-CG2 3.29Å; T47-V51 PolarHBondContact O-N 3.47Å; V48-V51 PolarHBondContact O-N 3.33Å; V51-I54 CarbonylContact O-C 3.54Å; V51-I54 PolarHBondContact O-N 3.26Å; V51-C55 WeakPolarHBondContact O-CB 3.39Å; V51-C55 PolarHBondContact O-N 2.87Å; V51-C55 PolarHBondContact O-SG 3.09Å |
| 52 | V | 94.2 | Very high | 89 | Confident | 59 Ų | 59 | 95.9 Ų | 95.9 | 36% | 0.358 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 175.6 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | V48 M49 V50 C55 L56 | V48-V52 HydrophobicContact CG1-CG2 4.39Å; V48-V52 WeakPolarHBondContact O-CB 3.32Å; V48-V52 VanDerWaalsContact O-CG2 3.27Å; V48-V52 WeakPolarHBondContact O-CG2 3.3Å; V48-V52 PolarHBondContact O-N 2.87Å; M49-V52 PolarHBondContact O-N 3.44Å; V50-V52 VanDerWaalsContact C-N 3.35Å; V50-V52 PolarHBondContact O-N 3.48Å; V52-C55 CarbonylContact O-C 3.49Å; V52-C55 PolarHBondContact O-N 2.74Å; V52-L56 HydrophobicContact CG1-CD1 3.88Å; V52-L56 HydrophobicContact CG1-CG 4.15Å; V52-L56 WeakPolarHBondContact O-CB 3.29Å; V52-L56 VanDerWaalsContact O-CG 3.22Å; V52-L56 WeakPolarHBondContact O-CG 3.23Å; V52-L56 PolarHBondContact O-N 2.81Å |
| 53 | I | 92.7 | Very high | 87.4 | Confident | 96 Ų | 96 | 96.1 Ų | 96.1 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 176.4 | -67.9 | 165.4 | 0 | 0 | 0 | 110.4 | M49 V50 C55 L56 L57 | M49-I53 VanDerWaalsContact O-CG1 3.28Å; M49-I53 WeakPolarHBondContact O-CG1 3.27Å; M49-I53 PolarHBondContact O-N 3.48Å; V50-I53 PolarHBondContact O-N 2.79Å; I53-C55 VanDerWaalsContact C-N 3.32Å; I53-C55 PolarHBondContact O-N 3.36Å; I53-L56 PolarHBondContact O-N 3.33Å; I53-L57 HydrophobicContact CG2-CD1 3.9Å; I53-L57 HydrophobicContact CG2-CG 4.3Å; I53-L57 VanDerWaalsContact O-CB 3.31Å; I53-L57 WeakPolarHBondContact O-CB 3.07Å; I53-L57 VanDerWaalsContact O-CG 3.22Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 3.42Å |
| 54 | I | 91.6 | Very high | 85.5 | Confident | 98 Ų | 98 | 95 Ų | 95 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 176.1 | -67.2 | 166.6 | 0 | 0 | 0 | 110.4 | V50 V51 N58 | V50-I54 HydrophobicContact CG1-CD1 3.58Å; V50-I54 HydrophobicContact CG1-CG1 4.28Å; V50-I54 WeakPolarHBondContact O-CB 3.38Å; V50-I54 WeakPolarHBondContact O-CG1 3.04Å; V50-I54 PolarHBondContact O-N 3.31Å; V51-I54 CarbonylContact O-C 3.54Å; V51-I54 PolarHBondContact O-N 3.26Å; I54-N58 WeakPolarHBondContact O-CA 3.34Å; I54-N58 WeakPolarHBondContact O-CB 3.25Å; I54-N58 PolarHBondContact O-N 3.48Å |
| 55 | C | 88.3 | Confident | 83.4 | Confident | 71 Ų | 71 | 98.7 Ų | 98.7 | 48% | 0.48 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.7 | -35.2 | 177.1 | -75.5 | 0 | 0 | 0 | 0 | 112.4 | V51 V52 I53 H59 | V51-C55 WeakPolarHBondContact O-CB 3.39Å; V51-C55 PolarHBondContact O-N 2.87Å; V51-C55 PolarHBondContact O-SG 3.09Å; V52-C55 CarbonylContact O-C 3.49Å; V52-C55 PolarHBondContact O-N 2.74Å; I53-C55 VanDerWaalsContact C-N 3.32Å; I53-C55 PolarHBondContact O-N 3.36Å; C55-H59 WeakPolarHBondContact O-CB 3.32Å; C55-H59 PolarHBondContact O-N 2.86Å |
| 56 | L | 88.8 | Confident | 81.3 | Confident | 108 Ų | 108 | 98.6 Ų | 98.6 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.9 | -44.3 | 174.4 | -73.3 | 176.3 | 0 | 0 | 0 | 110.2 | V52 I53 N58 H59 Y60 | V52-L56 HydrophobicContact CG1-CD1 3.88Å; V52-L56 HydrophobicContact CG1-CG 4.15Å; V52-L56 WeakPolarHBondContact O-CB 3.29Å; V52-L56 VanDerWaalsContact O-CG 3.22Å; V52-L56 WeakPolarHBondContact O-CG 3.23Å; V52-L56 PolarHBondContact O-N 2.81Å; I53-L56 PolarHBondContact O-N 3.33Å; L56-N58 VanDerWaalsContact C-N 3.31Å; L56-N58 PolarHBondContact O-N 3.43Å; L56-H59 PolarHBondContact O-N 3.47Å; L56-Y60 WeakPolarHBondContact O-CB 3.13Å; L56-Y60 PolarHBondContact O-N 3.49Å |
| 57 | L | 83.8 | Confident | 79.2 | Confident | 98 Ų | 98 | 100.1 Ų | 100.1 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 172.5 | -70.5 | 175.2 | 0 | 0 | 0 | 110.5 | I53 K61 | I53-L57 HydrophobicContact CG2-CD1 3.9Å; I53-L57 HydrophobicContact CG2-CG 4.3Å; I53-L57 VanDerWaalsContact O-CB 3.31Å; I53-L57 WeakPolarHBondContact O-CB 3.07Å; I53-L57 VanDerWaalsContact O-CG 3.22Å; I53-L57 WeakPolarHBondContact O-CG 3.35Å; I53-L57 PolarHBondContact O-N 3.42Å; L57-K61 VanDerWaalsContact O-CA 3.26Å; L57-K61 WeakPolarHBondContact O-CA 3.25Å; L57-K61 WeakPolarHBondContact O-CB 3.31Å; L57-K61 WeakPolarHBondContact O-CG 3.36Å; L57-K61 PolarHBondContact O-N 3.04Å |
| 58 | N | 82.3 | Confident | 77.3 | Confident | 81 Ų | 81 | 101 Ų | 101 | 43% | 0.433 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 176.1 | -175.3 | -47.5 | 0 | 0 | 0 | 109.7 | I54 L56 Y60 K61 L62 | I54-N58 WeakPolarHBondContact O-CA 3.34Å; I54-N58 WeakPolarHBondContact O-CB 3.25Å; I54-N58 PolarHBondContact O-N 3.48Å; L56-N58 VanDerWaalsContact C-N 3.31Å; L56-N58 PolarHBondContact O-N 3.43Å; N58-Y60 PolarHBondContact O-N 3.05Å; N58-K61 PolarHBondContact O-N 3.26Å; N58-L62 HydrophobicContact CB-CD1 4.33Å; N58-L62 VanDerWaalsContact CG-CD1 3.46Å; N58-L62 WeakPolarHBondContact O-CA 3.48Å; N58-L62 WeakPolarHBondContact O-CB 3.38Å; N58-L62 WeakPolarHBondContact O-CD1 3.28Å; N58-L62 PolarHBondContact O-N 2.99Å; N58-L62 WeakPolarHBondContact OD1-CD1 3.34Å; N58-L62 VanDerWaalsContact OD1-CD2 3.24Å; N58-L62 WeakPolarHBondContact OD1-CD2 3.34Å; N58-L62 WeakPolarHBondContact OD1-CG 3.23Å |
| 59 | H | 85.5 | Confident | 75.3 | Confident | 137 Ų | 137 | 100.1 Ų | 100.1 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -44.2 | 176.2 | -174.6 | -101.2 | 0 | 0 | 0 | 111.8 | C55 L56 S63 | C55-H59 WeakPolarHBondContact O-CB 3.32Å; C55-H59 PolarHBondContact O-N 2.86Å; L56-H59 PolarHBondContact O-N 3.47Å; H59-S63 WeakPolarHBondContact O-CB 3.4Å; H59-S63 PolarHBondContact O-N 2.89Å |
| 60 | Y | 81.9 | Confident | 73.2 | Confident | 180 Ų | 180 | 105 Ų | 105 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -75.2 | -36.1 | -179.6 | -144 | -93.1 | 0 | 0 | 0 | 112.3 | L56 N58 T64 | L56-Y60 WeakPolarHBondContact O-CB 3.13Å; L56-Y60 PolarHBondContact O-N 3.49Å; N58-Y60 PolarHBondContact O-N 3.05Å; Y60-T64 WeakPolarHBondContact O-CG2 3.38Å; Y60-T64 PolarHBondContact O-N 3.4Å; Y60-T64 VanDerWaalsContact O-N 3.15Å; Y60-T64 PolarHBondContact O-OG1 2.95Å |
| 61 | K | 68.3 | Low | 71.2 | Confident | 124 Ų | 124 | 106.7 Ų | 106.7 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -82.7 | -33.2 | 176.5 | -60.7 | -154.5 | 88.1 | 165.6 | 0 | 113.5 | L57 N58 T64 W65 | L57-K61 VanDerWaalsContact O-CA 3.26Å; L57-K61 WeakPolarHBondContact O-CA 3.25Å; L57-K61 WeakPolarHBondContact O-CB 3.31Å; L57-K61 WeakPolarHBondContact O-CG 3.36Å; L57-K61 PolarHBondContact O-N 3.04Å; N58-K61 PolarHBondContact O-N 3.26Å; K61-T64 WeakPolarHBondContact CA-OG1 3.44Å; K61-T64 CarbonylContact O-C 3.58Å; K61-T64 PolarHBondContact O-N 3.38Å; K61-T64 PolarHBondContact O-OG1 2.8Å; K61-W65 WeakPolarHBondContact O-CA 3.15Å; K61-W65 WeakPolarHBondContact O-CB 3.49Å; K61-W65 PolarHBondContact O-N 3.27Å |
| 62 | L | 59.6 | Low | 69.1 | Low | 89 Ų | 89 | 105.5 Ų | 105.5 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73 | -30 | 167.4 | -87.2 | 64.4 | 0 | 0 | 0 | 111 | N58 T64 S66 | N58-L62 HydrophobicContact CB-CD1 4.33Å; N58-L62 VanDerWaalsContact CG-CD1 3.46Å; N58-L62 WeakPolarHBondContact O-CA 3.48Å; N58-L62 WeakPolarHBondContact O-CB 3.38Å; N58-L62 WeakPolarHBondContact O-CD1 3.28Å; N58-L62 PolarHBondContact O-N 2.99Å; N58-L62 WeakPolarHBondContact OD1-CD1 3.34Å; N58-L62 VanDerWaalsContact OD1-CD2 3.24Å; N58-L62 WeakPolarHBondContact OD1-CD2 3.34Å; N58-L62 WeakPolarHBondContact OD1-CG 3.23Å; L62-T64 VanDerWaalsContact C-N 3.28Å; L62-T64 PolarHBondContact O-N 2.9Å; L62-S66 WeakPolarHBondContact O-CA 3.43Å; L62-S66 WeakPolarHBondContact O-CB 3.4Å; L62-S66 PolarHBondContact O-N 3.04Å; L62-S66 PolarHBondContact O-OG 2.95Å; L62-S66 VanDerWaalsContact O-OG 3.04Å |
| 63 | S | 58.9 | Low | 67.2 | Low | 87 Ų | 87 | 109 Ų | 109 | 61% | 0.608 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.2 | -31.9 | 170.5 | -164.4 | 0 | 0 | 0 | 0 | 111.4 | H59 | H59-S63 WeakPolarHBondContact O-CB 3.4Å; H59-S63 PolarHBondContact O-N 2.89Å |
| 64 | T | 54.6 | Low | 65.2 | Low | 73 Ų | 73 | 106.9 Ų | 106.9 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -90.5 | -22.8 | 172.6 | 51.4 | 0 | 0 | 0 | 0 | 114.8 | Y60 K61 L62 | Y60-T64 WeakPolarHBondContact O-CG2 3.38Å; Y60-T64 PolarHBondContact O-N 3.4Å; Y60-T64 VanDerWaalsContact O-N 3.15Å; Y60-T64 PolarHBondContact O-OG1 2.95Å; K61-T64 WeakPolarHBondContact CA-OG1 3.44Å; K61-T64 CarbonylContact O-C 3.58Å; K61-T64 PolarHBondContact O-N 3.38Å; K61-T64 PolarHBondContact O-OG1 2.8Å; L62-T64 VanDerWaalsContact C-N 3.28Å; L62-T64 PolarHBondContact O-N 2.9Å |
| 65 | W | 54.3 | Low | 63.1 | Low | 154 Ų | 154 | 110.9 Ų | 110.9 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -87.4 | -26.1 | 175.6 | -97.9 | 39.7 | 0 | 0 | 0 | 113 | K61 F67 I68 T69 | K61-W65 WeakPolarHBondContact O-CA 3.15Å; K61-W65 WeakPolarHBondContact O-CB 3.49Å; K61-W65 PolarHBondContact O-N 3.27Å; W65-F67 PolarHBondContact O-N 3.46Å; W65-I68 PolarHBondContact O-N 2.8Å; W65-I68 VanDerWaalsContact O-N 3.16Å; W65-T69 WeakPolarHBondContact O-CB 3.3Å; W65-T69 PolarHBondContact O-N 2.92Å |
| 66 | S | 52.1 | Low | 61.4 | Low | 82 Ų | 82 | 117.2 Ų | 117.2 | 57% | 0.573 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.6 | -22 | 168.6 | -81.7 | 0 | 0 | 0 | 0 | 111.4 | L62 | L62-S66 WeakPolarHBondContact O-CA 3.43Å; L62-S66 WeakPolarHBondContact O-CB 3.4Å; L62-S66 PolarHBondContact O-N 3.04Å; L62-S66 PolarHBondContact O-OG 2.95Å; L62-S66 VanDerWaalsContact O-OG 3.04Å |
| 67 | F | 51 | Low | 59.6 | Low | 154 Ų | 154 | 118.1 Ų | 118.1 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -83.5 | -41.1 | 172.2 | -154.7 | -99.8 | 0 | 0 | 0 | 112.8 | W65 Q71 | W65-F67 PolarHBondContact O-N 3.46Å; F67-Q71 WeakPolarHBondContact O-CB 3.49Å; F67-Q71 PolarHBondContact O-N 2.97Å; F67-Q71 VanDerWaalsContact O-N 3.09Å |
| 68 | I | 55.7 | Low | 57.7 | Low | 94 Ų | 94 | 119.1 Ų | 119.1 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -82.8 | -31.9 | -176.3 | -85.8 | 169.4 | 0 | 0 | 0 | 114 | W65 S72 | W65-I68 PolarHBondContact O-N 2.8Å; W65-I68 VanDerWaalsContact O-N 3.16Å; I68-S72 VanDerWaalsContact O-CB 3.22Å; I68-S72 WeakPolarHBondContact O-CB 3.3Å; I68-S72 PolarHBondContact O-N 2.93Å; I68-S72 PolarHBondContact O-OG 2.87Å |
| 69 | T | 53.6 | Low | 55.9 | Low | 62 Ų | 62 | 122.2 Ų | 122.2 | 38% | 0.38 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.5 | -38.5 | 172.5 | -83.9 | 0 | 0 | 0 | 0 | 111.1 | W65 S72 Q73 | W65-T69 WeakPolarHBondContact O-CB 3.3Å; W65-T69 PolarHBondContact O-N 2.92Å; T69-S72 WeakPolarHBondContact CA-OG 3.16Å; T69-S72 PolarHBondContact O-OG 2.78Å; T69-Q73 WeakPolarHBondContact O-CB 3.2Å; T69-Q73 PolarHBondContact O-N 3.41Å |
| 70 | R | 50.9 | Low | 54 | Low | 205 Ų | 205 | 118.5 Ų | 118.5 | 77% | 0.774 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.2 | -42 | 172.4 | -104.8 | 178.9 | 149 | -117.4 | -2.7 | 112.2 | A74 | R70-A74 WeakPolarHBondContact O-CB 3.15Å; R70-A74 PolarHBondContact O-N 3.45Å |
| 71 | Q | 51.7 | Low | 52.4 | Low | 106 Ų | 106 | 116.4 Ų | 116.4 | 50% | 0.495 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.1 | -36.3 | 177.8 | -165.1 | -177.2 | 23.1 | 0 | 0 | 112.6 | F67 R75 | F67-Q71 WeakPolarHBondContact O-CB 3.49Å; F67-Q71 PolarHBondContact O-N 2.97Å; F67-Q71 VanDerWaalsContact O-N 3.09Å; Q71-R75 WeakPolarHBondContact O-CB 3.44Å; Q71-R75 PolarHBondContact O-N 3.42Å |
| 72 | S | 51 | Low | 51 | Low | 57 Ų | 57 | 118.2 Ų | 118.2 | 40% | 0.399 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -75 | -33.8 | 177.9 | 62.4 | 0 | 0 | 0 | 0 | 113 | I68 T69 R76 | I68-S72 VanDerWaalsContact O-CB 3.22Å; I68-S72 WeakPolarHBondContact O-CB 3.3Å; I68-S72 PolarHBondContact O-N 2.93Å; I68-S72 PolarHBondContact O-OG 2.87Å; T69-S72 WeakPolarHBondContact CA-OG 3.16Å; T69-S72 PolarHBondContact O-OG 2.78Å; S72-R76 WeakPolarHBondContact O-CG 3.28Å; S72-R76 PolarHBondContact O-N 2.91Å |
| 73 | Q | 54.2 | Low | 50.3 | Low | 134 Ų | 134 | 122.1 Ų | 122.1 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.1 | -36.9 | 169.8 | -75.2 | -159.1 | -12.3 | 0 | 0 | 112.8 | T69 R76 H77 | T69-Q73 WeakPolarHBondContact O-CB 3.2Å; T69-Q73 PolarHBondContact O-N 3.41Å; Q73-R76 PolarHBondContact O-N 3.47Å; Q73-H77 PolarHBondContact O-N 2.94Å |
| 74 | A | 50.6 | Low | 49.5 | Very low | 51 Ų | 51 | 125.2 Ų | 125.2 | 42% | 0.421 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.1 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R70 R76 H77 D78 | R70-A74 WeakPolarHBondContact O-CB 3.15Å; R70-A74 PolarHBondContact O-N 3.45Å; A74-R76 VanDerWaalsContact C-N 3.28Å; A74-R76 PolarHBondContact O-N 3.29Å; A74-H77 PolarHBondContact O-N 3.27Å; A74-D78 PolarHBondContact O-N 2.81Å |
| 75 | R | 48.5 | Very low | 49.3 | Very low | 182 Ų | 182 | 124.8 Ų | 124.8 | 69% | 0.687 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.5 | -25.9 | 173 | -96.3 | -155.6 | -164.9 | -166.8 | 6.3 | 114.2 | Q71 H79 | Q71-R75 WeakPolarHBondContact O-CB 3.44Å; Q71-R75 PolarHBondContact O-N 3.42Å; R75-H79 PolarHBondContact O-CD2 2.84Å |
| 76 | R | 51.7 | Low | 48.4 | Very low | 203 Ų | 203 | 123.3 Ų | 123.3 | 77% | 0.766 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -84.7 | -22.6 | 175 | -74.2 | -161.8 | -169.3 | 173.8 | 5.3 | 113 | S72 Q73 A74 A80 | S72-R76 WeakPolarHBondContact O-CG 3.28Å; S72-R76 PolarHBondContact O-N 2.91Å; Q73-R76 PolarHBondContact O-N 3.47Å; A74-R76 VanDerWaalsContact C-N 3.28Å; A74-R76 PolarHBondContact O-N 3.29Å; R76-A80 PolarHBondContact O-N 3.38Å |
| 77 | H | 52.2 | Low | 48.1 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 59% | 0.593 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -80.2 | -34.5 | 172 | -112.1 | 78.4 | 0 | 0 | 0 | 112.6 | Q73 A74 H79 A80 L81 | Q73-H77 PolarHBondContact O-N 2.94Å; A74-H77 PolarHBondContact O-N 3.27Å; H77-H79 PolarHBondContact O-N 2.84Å; H77-A80 PolarHBondContact O-N 2.84Å; H77-L81 PolarHBondContact O-N 2.99Å |
| 78 | D | 42.4 | Very low | 47.7 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64 | -26.7 | 173.4 | -104.3 | -64.4 | 0 | 0 | 0 | 113.1 | A74 | A74-D78 PolarHBondContact O-N 2.81Å |
| 79 | H | 45.2 | Very low | 47.5 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 68% | 0.676 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -9.6 | 175.1 | -84.4 | -63 | 0 | 0 | 0 | 114.6 | R75 H77 | R75-H79 PolarHBondContact O-CD2 2.84Å; H77-H79 PolarHBondContact O-N 2.84Å |
| 80 | A | 45.8 | Very low | 47 | Very low | 60 Ų | 60 | 134.9 Ų | 134.9 | 50% | 0.496 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.4 | -23.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R76 H77 | R76-A80 PolarHBondContact O-N 3.38Å; H77-A80 PolarHBondContact O-N 2.84Å |
| 81 | L | 48.3 | Very low | 46.4 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 71% | 0.707 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -0.4 | 175.9 | -67.4 | 176.9 | 0 | 0 | 0 | 114.2 | H77 | H77-L81 PolarHBondContact O-N 2.99Š|
| 82 | Q | 38.9 | Very low | 45.6 | Very low | 163 Ų | 163 | 133 Ų | 133 | 76% | 0.762 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 9.3 | 176.1 | -139.3 | -177.2 | 115.4 | 0 | 0 | 113.1 | ||
| 83 | Q | 43.9 | Very low | 44.8 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -109.1 | 12.4 | -179.8 | -147.5 | 172 | 81.7 | 0 | 0 | 113.2 | ||
| 84 | D | 42.7 | Very low | 43.9 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -109.8 | 79.4 | 167.2 | -77.5 | -37.6 | 0 | 0 | 0 | 109.3 | ||
| 85 | G | 50.2 | Low | 43.4 | Very low | 63 Ų | 63 | 140.7 Ų | 140.7 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | trans | 149.3 | 79.6 | 170 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 86 | C | 36.9 | Very low | 42.7 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -173.8 | 116.2 | 133.8 | -92.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 87 | L | 45.3 | Very low | 42.1 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | trans | -59.4 | 136.8 | 174.2 | -60.3 | 95.7 | 0 | 0 | 0 | 111.1 | ||||
| 88 | W | 41.2 | Very low | 41.2 | Very low | 242 Ų | 242 | 132.5 Ų | 132.5 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -145.9 | 128.1 | 142.3 | -77.8 | 101.2 | 0 | 0 | 0 | 109.6 | ||||
| 89 | P | 52.7 | Low | 41 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | trans | -88.3 | 143.8 | 174.9 | 34.6 | -28.7 | 0 | 0 | 0 | 109.3 | ||||
| 90 | S | 43.7 | Very low | 41 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -141.1 | 104.2 | 157.6 | -84.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 91 | D | 37.7 | Very low | 40.8 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -57.6 | 161.9 | 168.8 | -85 | -51.4 | 0 | 0 | 0 | 113.1 | ||||
| 92 | S | 34.2 | Very low | 40.2 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 82.3 | 125.1 | 160.1 | 78 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 93 | G | 35 | Very low | 40.3 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | cis | 165.6 | 132.9 | -0.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 94 | S | 35.8 | Very low | 40 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -171.2 | 140.3 | 154 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 95 | R | 38.3 | Very low | 39.5 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 75% | 0.751 | 81% | 0.811 | S | S | * | * | trans | -86.8 | 162.8 | -166.4 | -63.7 | 167.6 | 70.5 | -130.6 | 8.8 | 111.8 | ||||
| 96 | Q | 34.8 | Very low | 38.9 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | 87.8 | 115.7 | 154.5 | -77.3 | 148.3 | -65.1 | 0 | 0 | 117.5 | ||||
| 97 | G | 38.5 | Very low | 38.8 | Very low | 82 Ų | 82 | 143.1 Ų | 143.1 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -82.3 | 167.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 98 | A | 33 | Very low | 39 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -160.7 | 125.1 | 150.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 99 | S | 39.9 | Very low | 38.5 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | 66.5 | 99.3 | 158.2 | -81.2 | 0 | 0 | 0 | 0 | 119.8 | I101 | S99-I101 PolarHBondContact O-N 2.89Š| ||
| 100 | E | 44.1 | Very low | 37.6 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | -26.5 | 121.3 | 118.2 | -58.1 | 172.8 | 134.5 | 0 | 0 | 110.9 | |||||
| 101 | I | 41.8 | Very low | 37.5 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | trans | 176.8 | 129.4 | 146.6 | -88.4 | 147.3 | 0 | 0 | 0 | 107.6 | S99 | S99-I101 PolarHBondContact O-N 2.89Š| ||
| 102 | Q | 36.2 | Very low | 37.6 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 70.8 | 96 | 173.3 | -79.7 | 167.5 | -2.4 | 0 | 0 | 116 | ||||
| 103 | V | 39.7 | Very low | 38.1 | Very low | 133 Ų | 133 | 151.4 Ų | 151.4 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | cis | 38.4 | 115.5 | 39.6 | -166.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 104 | L | 38.5 | Very low | 38.4 | Very low | 162 Ų | 162 | 154 Ų | 154 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 88.8 | 84.2 | 168.7 | -131.3 | 77 | 0 | 0 | 0 | 116.7 | ||
| 105 | Y | 32.8 | Very low | 38.7 | Very low | 236 Ų | 236 | 152.3 Ų | 152.3 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | 22.3 | 100.3 | 132.3 | -125.6 | -96.6 | 0 | 0 | 0 | 117.8 | ||||
| 106 | A | 37.5 | Very low | 38.9 | Very low | 85 Ų | 85 | 148.9 Ų | 148.9 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | 140.7 | 134.9 | 136.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 107 | P | 34.4 | Very low | 39.3 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | -132.2 | 124.6 | 129.1 | 30 | -15.3 | 0 | 0 | 0 | 112 | |||||
| 108 | Q | 48.8 | Very low | 39.5 | Very low | 193 Ų | 193 | 151.6 Ų | 151.6 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -63.9 | 130.2 | 152.7 | -86.5 | -112.2 | 14.4 | 0 | 0 | 109.5 | ||||
| 109 | A | 31.1 | Very low | 40 | Very low | 86 Ų | 86 | 154.9 Ų | 154.9 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | 172 | 128.5 | 134.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 110 | R | 34.1 | Very low | 40.1 | Very low | 228 Ų | 228 | 157.1 Ų | 157.1 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | 75.7 | 108.6 | 139.3 | -85 | -174.2 | 146.1 | 173.6 | -3.6 | 122.1 | ||||
| 111 | D | 42.2 | Very low | 40 | Very low | 132 Ų | 132 | 159.4 Ų | 159.4 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | 38.1 | 103.3 | 118.5 | -67.7 | -41.3 | 0 | 0 | 0 | 118.4 | |||||
| 112 | R | 38.3 | Very low | 40.1 | Very low | 235 Ų | 235 | 159.5 Ų | 159.5 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | -156.9 | 120.1 | 133.7 | -129.9 | 166 | -83.8 | 142.2 | -7 | 111.5 | T114 | R112-T114 PolarHBondContact O-N 3.42Š| ||
| 113 | F | 45.7 | Very low | 40.5 | Very low | 206 Ų | 206 | 161 Ų | 161 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -41.3 | 129.2 | 166 | -76.3 | -102.7 | 0 | 0 | 0 | 112.3 | ||||
| 114 | T | 40.3 | Very low | 40.8 | Very low | 132 Ų | 132 | 163.3 Ų | 163.3 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -151 | 103.3 | 152.2 | -44.6 | 0 | 0 | 0 | 0 | 108.4 | R112 | R112-T114 PolarHBondContact O-N 3.42Š| ||
| 115 | A | 42.6 | Very low | 41.1 | Very low | 90 Ų | 90 | 161 Ų | 161 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 133.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | S117 | A115-S117 PolarHBondContact O-N 3.21Š|
| 116 | P | 43.1 | Very low | 41.9 | Very low | 127 Ų | 127 | 161 Ų | 161 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 122.3 | 165.2 | 1.9 | 14.3 | 0 | 0 | 0 | 108.8 | ||
| 117 | S | 42.8 | Very low | 42.3 | Very low | 109 Ų | 109 | 166.1 Ų | 166.1 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 134.6 | 176.8 | 33.6 | 0 | 0 | 0 | 0 | 112.7 | A115 M119 | A115-S117 PolarHBondContact O-N 3.21Å; S117-M119 PolarHBondContact O-N 3.38Å |
| 118 | F | 41.6 | Very low | 43.3 | Very low | 191 Ų | 191 | 167.3 Ų | 167.3 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -39.5 | 103.1 | 160.5 | 175.1 | -100.3 | 0 | 0 | 0 | 111 | Q120 | F118-Q120 VanDerWaalsContact C-N 3.27Å; F118-Q120 PolarHBondContact O-N 3.06Å | ||
| 119 | M | 45.2 | Very low | 43.2 | Very low | 168 Ų | 168 | 163 Ų | 163 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -65.7 | 93.7 | 166.4 | -73.4 | -127.9 | 75.4 | 0 | 0 | 108.6 | S117 R121 | S117-M119 PolarHBondContact O-N 3.38Å; M119-R121 PolarHBondContact O-N 2.93Å | ||
| 120 | Q | 41.2 | Very low | 43.9 | Very low | 151 Ų | 151 | 164.3 Ų | 164.3 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | 18.8 | 88.2 | 127.1 | -164.7 | 167.7 | -50 | 0 | 0 | 113.6 | F118 | F118-Q120 VanDerWaalsContact C-N 3.27Å; F118-Q120 PolarHBondContact O-N 3.06Å | |||
| 121 | R | 41.7 | Very low | 44.1 | Very low | 238 Ų | 238 | 163.2 Ų | 163.2 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -84.2 | 113.6 | 167.4 | -145.6 | 179.8 | -166.5 | 163.6 | 3.3 | 107.8 | M119 R123 | M119-R121 PolarHBondContact O-N 2.93Å; R121-R123 PolarHBondContact O-N 2.77Å; R121-R123 VanDerWaalsContact O-N 3.1Å | ||
| 122 | D | 43.8 | Very low | 44.4 | Very low | 139 Ų | 139 | 161.5 Ų | 161.5 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -52.2 | 110.8 | 175.8 | -73.2 | -60 | 0 | 0 | 0 | 112.5 | ||||
| 123 | R | 45.8 | Very low | 44.4 | Very low | 209 Ų | 209 | 160.7 Ų | 160.7 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | S | Bend | 32.6 | 97.5 | 126.1 | -144.6 | 152.3 | -171 | 155 | 5.1 | 117.6 | R121 | R121-R123 PolarHBondContact O-N 2.77Å; R121-R123 VanDerWaalsContact O-N 3.1Å | |
| 124 | F | 44.2 | Very low | 44.4 | Very low | 180 Ų | 180 | 157.6 Ų | 157.6 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | trans | 61.4 | 81.7 | 145.8 | -51.5 | -55.2 | 0 | 0 | 0 | 119.5 | ||||
| 125 | S | 45.1 | Very low | 44.7 | Very low | 115 Ų | 115 | 160.1 Ų | 160.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -87.9 | 120.1 | 146.1 | 70 | 0 | 0 | 0 | 0 | 109.1 | F127 | S125-F127 PolarHBondContact O-N 3.49Š| ||
| 126 | R | 50 | Low | 45 | Very low | 235 Ų | 235 | 163 Ų | 163 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -54.1 | 129 | -174.1 | -152.2 | 169.9 | -69.1 | 166.4 | -1.2 | 111.6 | Q128 | R126-Q128 PolarHBondContact O-N 3.37Š| ||
| 127 | F | 47.2 | Very low | 45.3 | Very low | 192 Ų | 192 | 165.7 Ų | 165.7 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -57.8 | 114.1 | 168.8 | -77.9 | -95.1 | 0 | 0 | 0 | 110 | S125 | S125-F127 PolarHBondContact O-N 3.49Š| ||
| 128 | Q | 53.7 | Low | 45.5 | Very low | 158 Ų | 158 | 166.6 Ų | 166.6 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -141.6 | 98.3 | 156.9 | -75.7 | -73.8 | 64.8 | 0 | 0 | 108 | R126 T130 | R126-Q128 PolarHBondContact O-N 3.37Å; Q128-T130 VanDerWaalsContact C-N 3.27Å; Q128-T130 PolarHBondContact O-N 2.9Å; Q128-T130 VanDerWaalsContact O-N 3.17Å | ||
| 129 | P | 46.6 | Very low | 46.2 | Very low | 101 Ų | 101 | 165 Ų | 165 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | trans | -79.4 | 81.3 | 160.1 | -1.8 | 20.2 | 0 | 0 | 0 | 108 | Y131 | P129-Y131 HydrophobicContact CB-CD2 4.44Å; P129-Y131 PolarHBondContact O-N 2.93Å | ||
| 130 | T | 47 | Very low | 46.8 | Very low | 114 Ų | 114 | 163 Ų | 163 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | -85.4 | 92.1 | 164.8 | -56.8 | 0 | 0 | 0 | 0 | 107.4 | Q128 P132 | Q128-T130 VanDerWaalsContact C-N 3.27Å; Q128-T130 PolarHBondContact O-N 2.9Å; Q128-T130 VanDerWaalsContact O-N 3.17Å; T130-P132 WeakPolarHBondContact O-CD 3.47Å | ||
| 131 | Y | 38.7 | Very low | 47 | Very low | 205 Ų | 205 | 161.1 Ų | 161.1 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -82.9 | 119.1 | 168.6 | -91.5 | -86 | 0 | 0 | 0 | 109.3 | P129 | P129-Y131 HydrophobicContact CB-CD2 4.44Å; P129-Y131 PolarHBondContact O-N 2.93Å | ||
| 132 | P | 47.9 | Very low | 47.4 | Very low | 97 Ų | 97 | 155.5 Ų | 155.5 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | trans | -78.9 | 121.6 | 162.7 | 24.7 | -16 | 0 | 0 | 0 | 108.7 | T130 M134 | T130-P132 WeakPolarHBondContact O-CD 3.47Å; P132-M134 PolarHBondContact O-N 3.26Å | ||
| 133 | Y | 39.2 | Very low | 47.6 | Very low | 218 Ų | 218 | 154.8 Ų | 154.8 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | -62.1 | 101.5 | 168.8 | -95 | -98.9 | 0 | 0 | 0 | 109.2 | Q135 | Y133-Q135 PolarHBondContact O-N 3.41Š| ||
| 134 | M | 44.2 | Very low | 48.1 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | trans | -87.2 | 92.8 | 164.4 | -76.6 | -75.1 | 123.2 | 0 | 0 | 108 | P132 H136 | P132-M134 PolarHBondContact O-N 3.26Å; M134-H136 VanDerWaalsContact C-N 3.28Å; M134-H136 PolarHBondContact O-N 2.84Å; M134-H136 PolarHBondContact O-ND1 3.21Å; M134-H136 VanDerWaalsContact O-ND1 3.14Å | ||
| 135 | Q | 46.4 | Very low | 48.4 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -65.3 | 85.4 | 173.3 | -171.7 | 161.9 | -54.3 | 0 | 0 | 109.3 | Y133 Q137 | Y133-Q135 PolarHBondContact O-N 3.41Å; Q135-Q137 PolarHBondContact O-N 3.08Å; Q135-Q137 VanDerWaalsContact O-N 3.15Å | ||
| 136 | H | 48.7 | Very low | 48.4 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | trans | -72.8 | 106.4 | 169.3 | -73.6 | 75 | 0 | 0 | 0 | 107.4 | M134 I138 | M134-H136 VanDerWaalsContact C-N 3.28Å; M134-H136 PolarHBondContact O-N 2.84Å; M134-H136 PolarHBondContact O-ND1 3.21Å; M134-H136 VanDerWaalsContact O-ND1 3.14Å; H136-I138 HydrophobicContact CB-CG1 4.21Å; H136-I138 PolarHBondContact O-N 2.99Å | ||
| 137 | Q | 50 | Low | 48.4 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -63.3 | 87.1 | 162.2 | -172.6 | 176.9 | 1.2 | 0 | 0 | 106.9 | Q135 D139 | Q135-Q137 PolarHBondContact O-N 3.08Å; Q135-Q137 VanDerWaalsContact O-N 3.15Å; Q137-D139 PolarHBondContact O-N 3.23Å | ||
| 138 | I | 47.1 | Very low | 48.8 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | -78.2 | 107.3 | 172.5 | -53.8 | 173.1 | 0 | 0 | 0 | 105.2 | H136 L140 | H136-I138 HydrophobicContact CB-CG1 4.21Å; H136-I138 PolarHBondContact O-N 2.99Å; I138-L140 VanDerWaalsContact C-N 3.27Å; I138-L140 HydrophobicContact CB-CD1 3.86Å; I138-L140 HydrophobicContact CG2-CD1 3.63Å; I138-L140 WeakPolarHBondContact O-CD1 3.12Å; I138-L140 PolarHBondContact O-N 3.11Å | ||
| 139 | D | 56.7 | Low | 49.1 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | -66.4 | 89.2 | 170.6 | -145.9 | 13.9 | 0 | 0 | 0 | 107.2 | Q137 | Q137-D139 PolarHBondContact O-N 3.23Š| ||
| 140 | L | 57.8 | Low | 49.4 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 67% | 0.665 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 139.4 | 175.3 | -93.3 | 73.3 | 0 | 0 | 0 | 108.6 | I138 | I138-L140 VanDerWaalsContact C-N 3.27Å; I138-L140 HydrophobicContact CB-CD1 3.86Å; I138-L140 HydrophobicContact CG2-CD1 3.63Å; I138-L140 WeakPolarHBondContact O-CD1 3.12Å; I138-L140 PolarHBondContact O-N 3.11Å |
| 141 | P | 44.8 | Very low | 50.1 | Low | 110 Ų | 110 | 140.2 Ų | 140.2 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 152.1 | 173.2 | 26.1 | -33.2 | 0 | 0 | 0 | 110.1 | T143 | P141-T143 PolarHBondContact O-N 3.14Å; P141-T143 VanDerWaalsContact O-N 3.15Å |
| 142 | P | 50.9 | Low | 50.9 | Low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 125.3 | -166.7 | 21.2 | -32.7 | 0 | 0 | 0 | 110.6 | I144 | P142-I144 PolarHBondContact O-N 3.49Š|
| 143 | T | 48.1 | Very low | 51.3 | Low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | trans | -49.7 | 108.1 | 177.6 | -39.7 | 0 | 0 | 0 | 0 | 108.6 | P141 S145 | P141-T143 PolarHBondContact O-N 3.14Å; P141-T143 VanDerWaalsContact O-N 3.15Å; T143-S145 PolarHBondContact O-N 3.11Å | ||
| 144 | I | 54.9 | Low | 51.9 | Low | 143 Ų | 143 | 129.1 Ų | 129.1 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | -65 | 110.8 | 163 | 54.8 | 167.7 | 0 | 0 | 0 | 105.9 | P142 L146 | P142-I144 PolarHBondContact O-N 3.49Å; I144-L146 VanDerWaalsContact C-N 3.35Å; I144-L146 PolarHBondContact O-N 3.06Å | ||
| 145 | S | 50.9 | Low | 52.3 | Low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | -65.9 | 97.6 | 175.3 | -55 | 0 | 0 | 0 | 0 | 107.8 | T143 S147 | T143-S145 PolarHBondContact O-N 3.11Å; S145-S147 PolarHBondContact O-N 3.36Å | ||
| 146 | L | 45.6 | Very low | 52.7 | Low | 128 Ų | 128 | 131.4 Ų | 131.4 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | trans | -63.5 | 118.7 | 160.3 | -65.7 | 177.3 | 0 | 0 | 0 | 105.8 | I144 D148 | I144-L146 VanDerWaalsContact C-N 3.35Å; I144-L146 PolarHBondContact O-N 3.06Å; L146-D148 PolarHBondContact O-N 3.16Å; L146-D148 VanDerWaalsContact O-N 3.07Å | ||
| 147 | S | 49.9 | Very low | 53.3 | Low | 127 Ų | 127 | 126.5 Ų | 126.5 | 89% | 0.888 | 72% | 0.722 | S | S | * | * | trans | -78.6 | 61.7 | 163.5 | -60.3 | 0 | 0 | 0 | 0 | 107.9 | S145 | S145-S147 PolarHBondContact O-N 3.36Š| ||
| 148 | D | 55.3 | Low | 53.4 | Low | 107 Ų | 107 | 123.9 Ų | 123.9 | 57% | 0.572 | 72% | 0.721 | S | S | * | * | trans | -91.7 | 103.6 | 161.9 | 60.8 | -31.7 | 0 | 0 | 0 | 107.2 | L146 E150 | L146-D148 PolarHBondContact O-N 3.16Å; L146-D148 VanDerWaalsContact O-N 3.07Å; D148-E150 PolarHBondContact O-N 3Å | ||
| 149 | G | 60.4 | Low | 53.6 | Low | 88 Ų | 88 | 122 Ų | 122 | 91% | 0.907 | 72% | 0.718 | S | S | * | * | trans | -66.1 | 59.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.8 | E151 | G149-E151 PolarHBondContact O-N 2.97Š| ||
| 150 | E | 52.8 | Low | 53.4 | Low | 144 Ų | 144 | 119.9 Ų | 119.9 | 67% | 0.673 | 71% | 0.711 | S | S | * | * | trans | -79.1 | 99.3 | 157.7 | -103.7 | -130 | 128.2 | 0 | 0 | 107.3 | D148 | D148-E150 PolarHBondContact O-N 3Š| ||
| 151 | E | 60.7 | Low | 52.8 | Low | 152 Ų | 152 | 120.8 Ų | 120.8 | 71% | 0.71 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 124.6 | 150 | -177.5 | -172.6 | 137.1 | 0 | 0 | 107.5 | G149 P153 | G149-E151 PolarHBondContact O-N 2.97Å; E151-P153 WeakPolarHBondContact O-CD 3.43Å; E151-P153 VanDerWaalsContact O-N 3.08Å |
| 152 | P | 57 | Low | 53.4 | Low | 106 Ų | 106 | 123.7 Ų | 123.7 | 69% | 0.688 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 122.2 | 175.8 | 22.1 | -30.5 | 0 | 0 | 0 | 107.3 | ||
| 153 | P | 55.6 | Low | 53.6 | Low | 66 Ų | 66 | 125 Ų | 125 | 43% | 0.429 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 134.5 | -178.9 | 19.9 | -30.9 | 0 | 0 | 0 | 108.3 | E151 Y155 | E151-P153 WeakPolarHBondContact O-CD 3.43Å; E151-P153 VanDerWaalsContact O-N 3.08Å; P153-Y155 VanDerWaalsContact C-N 3.27Å; P153-Y155 HydrophobicContact CB-CD2 4.45Å; P153-Y155 HydrophobicContact CB-CE2 4.4Å; P153-Y155 HydrophobicContact CG-CD2 4.04Å; P153-Y155 HydrophobicContact CG-CE2 3.75Å; P153-Y155 PolarHBondContact O-N 3.48Å |
| 154 | P | 52.8 | Low | 54 | Low | 116 Ų | 116 | 125.7 Ų | 125.7 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | trans | -67.5 | 90.1 | 179.1 | 25.7 | -32.1 | 0 | 0 | 0 | 109.2 | Q156 | P154-Q156 VanDerWaalsContact C-N 3.29Å; P154-Q156 PolarHBondContact O-N 2.94Å | ||
| 155 | Y | 50.8 | Low | 54.5 | Low | 175 Ų | 175 | 123.5 Ų | 123.5 | 69% | 0.686 | 70% | 0.698 | S | S | * | * | trans | -73.8 | 85.2 | 167.1 | -85.7 | -87.3 | 0 | 0 | 0 | 109 | P153 C159 | P153-Y155 VanDerWaalsContact C-N 3.27Å; P153-Y155 HydrophobicContact CB-CD2 4.45Å; P153-Y155 HydrophobicContact CB-CE2 4.4Å; P153-Y155 HydrophobicContact CG-CD2 4.04Å; P153-Y155 HydrophobicContact CG-CE2 3.75Å; P153-Y155 PolarHBondContact O-N 3.48Å; Y155-C159 WeakPolarHBondContact CE1-SG 3.34Å | ||
| 156 | Q | 56.5 | Low | 55 | Low | 197 Ų | 197 | 122.9 Ų | 122.9 | 92% | 0.921 | 69% | 0.692 | S | S | * | * | trans | -130.1 | 78.8 | 152.8 | -85 | -174.2 | 6.1 | 0 | 0 | 109.8 | P154 | P154-Q156 VanDerWaalsContact C-N 3.29Å; P154-Q156 PolarHBondContact O-N 2.94Å | ||
| 157 | G | 60.3 | Low | 56 | Low | 47 Ų | 47 | 123.5 Ų | 123.5 | 49% | 0.485 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -178 | 144.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | C159 | G157-C159 PolarHBondContact O-N 3.24Š|
| 158 | P | 52.8 | Low | 56.7 | Low | 129 Ų | 129 | 122.1 Ų | 122.1 | 84% | 0.838 | 67% | 0.67 | S | S | * | * | trans | -56.3 | 105.7 | 165.8 | -17 | 28.9 | 0 | 0 | 0 | 108.2 | T160 | P158-T160 VanDerWaalsContact C-N 3.26Å; P158-T160 PolarHBondContact O-N 3.31Å | ||
| 159 | C | 51.3 | Low | 57.3 | Low | 90 Ų | 90 | 122.2 Ų | 122.2 | 61% | 0.608 | 67% | 0.667 | S | S | * | * | trans | -69.3 | 89.4 | 171.6 | -69.6 | 0 | 0 | 0 | 0 | 108.1 | Y155 G157 L161 | Y155-C159 WeakPolarHBondContact CE1-SG 3.34Å; G157-C159 PolarHBondContact O-N 3.24Å; C159-L161 VanDerWaalsContact C-N 3.28Å; C159-L161 PolarHBondContact O-N 3.43Å | ||
| 160 | T | 51.5 | Low | 57.5 | Low | 112 Ų | 112 | 124.6 Ų | 124.6 | 69% | 0.687 | 66% | 0.656 | S | S | * | * | trans | -69.7 | 99.2 | 156.3 | 52.5 | 0 | 0 | 0 | 0 | 105.6 | P158 Q162 | P158-T160 VanDerWaalsContact C-N 3.26Å; P158-T160 PolarHBondContact O-N 3.31Å; T160-Q162 PolarHBondContact O-N 3.31Å | ||
| 161 | L | 45.2 | Very low | 58.6 | Low | 146 Ų | 146 | 123.2 Ų | 123.2 | 76% | 0.764 | 65% | 0.65 | S | S | * | * | trans | -58.7 | 93.7 | 171.5 | -150.6 | 157 | 0 | 0 | 0 | 106.1 | C159 L163 | C159-L161 VanDerWaalsContact C-N 3.28Å; C159-L161 PolarHBondContact O-N 3.43Å; L161-L163 HydrophobicContact CD2-CB 4.22Å; L161-L163 HydrophobicContact CD2-CD1 4.18Å; L161-L163 PolarHBondContact O-N 3.21Å | ||
| 162 | Q | 59 | Low | 58.9 | Low | 171 Ų | 171 | 119.2 Ų | 119.2 | 80% | 0.799 | 63% | 0.633 | S | S | * | * | trans | -69.1 | 83.9 | -179.3 | -82.2 | -170 | 26.2 | 0 | 0 | 108.2 | T160 R164 | T160-Q162 PolarHBondContact O-N 3.31Å; Q162-R164 VanDerWaalsContact C-N 3.35Å | ||
| 163 | L | 54.3 | Low | 59.3 | Low | 149 Ų | 149 | 119.8 Ų | 119.8 | 78% | 0.78 | 63% | 0.631 | S | S | * | * | trans | -90.2 | 4.3 | 179.3 | -160.9 | 63.8 | 0 | 0 | 0 | 112.6 | L161 | L161-L163 HydrophobicContact CD2-CB 4.22Å; L161-L163 HydrophobicContact CD2-CD1 4.18Å; L161-L163 PolarHBondContact O-N 3.21Å | ||
| 164 | R | 56.1 | Low | 60.2 | Low | 138 Ų | 138 | 127.4 Ų | 127.4 | 52% | 0.521 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -159.8 | 151.7 | -176.8 | -110.7 | 174.3 | -176.9 | 149.2 | 1.1 | 113.2 | Q162 Q168 | Q162-R164 VanDerWaalsContact C-N 3.35Å; R164-Q168 HydrophobicContact CG-CB 4.39Å |
| 165 | D | 66.1 | Low | 61 | Low | 97 Ų | 97 | 127.7 Ų | 127.7 | 52% | 0.519 | 64% | 0.642 | S | S | . | * | trans | -55.9 | 131.1 | 169.6 | -147 | -24.1 | 0 | 0 | 0 | 109.4 | E167 Q168 Q169 | D165-E167 PolarHBondContact O-N 2.86Å; D165-E167 VanDerWaalsContact O-N 3.08Å; D165-Q168 PolarHBondContact O-N 3.23Å; D165-Q169 PolarHBondContact O-N 2.96Å | ||
| 166 | P | 61 | Low | 61.7 | Low | 96 Ų | 96 | 122.5 Ų | 122.5 | 62% | 0.623 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -52.4 | -29.5 | 179.3 | 16.6 | -33.5 | 0 | 0 | 0 | 114.1 | Q169 M170 | P166-Q169 PolarHBondContact O-N 2.9Å; P166-M170 PolarHBondContact O-N 2.87Å; P166-M170 VanDerWaalsContact O-N 3.11Å |
| 167 | E | 67.1 | Low | 62.1 | Low | 141 Ų | 141 | 119.8 Ų | 119.8 | 66% | 0.659 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.7 | -43.4 | 175.9 | -64.4 | -172.6 | 144.9 | 0 | 0 | 111.9 | D165 Q169 M170 E171 | D165-E167 PolarHBondContact O-N 2.86Å; D165-E167 VanDerWaalsContact O-N 3.08Å; E167-Q169 VanDerWaalsContact C-N 3.3Å; E167-Q169 PolarHBondContact O-N 2.86Å; E167-M170 WeakPolarHBondContact O-CB 3.32Å; E167-M170 PolarHBondContact O-N 3.37Å; E167-M170 VanDerWaalsContact O-N 3.16Å; E167-E171 WeakPolarHBondContact O-CG 3.32Å; E167-E171 PolarHBondContact O-N 3.21Å |
| 168 | Q | 64.3 | Low | 62.5 | Low | 97 Ų | 97 | 128.1 Ų | 128.1 | 45% | 0.453 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.9 | -30.8 | 176.7 | -79 | -163 | -58.7 | 0 | 0 | 112.9 | R164 D165 L172 | R164-Q168 HydrophobicContact CG-CB 4.39Å; D165-Q168 PolarHBondContact O-N 3.23Å; Q168-L172 PolarHBondContact O-N 2.88Å; Q168-L172 VanDerWaalsContact O-N 3.14Å |
| 169 | Q | 68.2 | Low | 62.8 | Low | 109 Ų | 109 | 125.6 Ų | 125.6 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73.6 | -30.8 | 175.7 | -166.4 | 68.6 | 20.7 | 0 | 0 | 111.6 | D165 P166 E167 N173 | D165-Q169 PolarHBondContact O-N 2.96Å; P166-Q169 PolarHBondContact O-N 2.9Å; E167-Q169 VanDerWaalsContact C-N 3.3Å; E167-Q169 PolarHBondContact O-N 2.86Å; Q169-N173 VanDerWaalsContact O-CB 3.3Å; Q169-N173 WeakPolarHBondContact O-CB 3.31Å; Q169-N173 PolarHBondContact O-N 3.39Å |
| 170 | M | 64.3 | Low | 63 | Low | 138 Ų | 138 | 126.3 Ų | 126.3 | 68% | 0.68 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.2 | -40.9 | 173.4 | 176.4 | -176 | -64.1 | 0 | 0 | 111.7 | P166 E167 N173 R174 | P166-M170 PolarHBondContact O-N 2.87Å; P166-M170 VanDerWaalsContact O-N 3.11Å; E167-M170 WeakPolarHBondContact O-CB 3.32Å; E167-M170 PolarHBondContact O-N 3.37Å; E167-M170 VanDerWaalsContact O-N 3.16Å; M170-N173 PolarHBondContact O-N 3.49Å; M170-R174 VanDerWaalsContact O-CB 3.3Å; M170-R174 WeakPolarHBondContact O-CB 3.38Å; M170-R174 PolarHBondContact O-N 2.88Å |
| 171 | E | 75.4 | Confident | 63.6 | Low | 115 Ų | 115 | 126.4 Ų | 126.4 | 54% | 0.537 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -59.1 | -54.1 | 172.7 | -67.8 | 179.8 | 170.3 | 0 | 0 | 109.5 | E167 N173 R174 E175 | E167-E171 WeakPolarHBondContact O-CG 3.32Å; E167-E171 PolarHBondContact O-N 3.21Å; E171-N173 VanDerWaalsContact C-N 3.3Å; E171-N173 PolarHBondContact O-N 3.38Å; E171-R174 CarbonylContact O-C 3.56Å; E171-R174 WeakPolarHBondContact O-CA 3.46Å; E171-R174 WeakPolarHBondContact O-CB 3.24Å; E171-R174 PolarHBondContact O-N 3.39Å; E171-E175 VanDerWaalsContact C-CD 3.44Å; E171-E175 VanDerWaalsContact CB-OE1 3.28Å; E171-E175 WeakPolarHBondContact CB-OE1 2.95Å; E171-E175 VanDerWaalsContact O-CD 3.22Å; E171-E175 WeakPolarHBondContact O-CG 3.42Å; E171-E175 PolarHBondContact O-N 2.72Å |
| 172 | L | 68 | Low | 63.8 | Low | 69 Ų | 69 | 126.8 Ų | 126.8 | 36% | 0.361 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -59.9 | -37.5 | -179.9 | -118.8 | 154.7 | 0 | 0 | 0 | 113.2 | Q168 E175 S176 | Q168-L172 PolarHBondContact O-N 2.88Å; Q168-L172 VanDerWaalsContact O-N 3.14Å; L172-E175 WeakPolarHBondContact CA-OE1 3.31Å; L172-E175 PolarHBondContact N-OE1 2.84Å; L172-E175 VanDerWaalsContact N-OE1 3.11Å; L172-E175 PolarHBondContact O-N 3.05Å; L172-S176 VanDerWaalsContact O-CB 3.25Å; L172-S176 WeakPolarHBondContact O-CB 3.48Å; L172-S176 PolarHBondContact O-N 3.03Å |
| 173 | N | 65.3 | Low | 63.6 | Low | 118 Ų | 118 | 128.5 Ų | 128.5 | 63% | 0.631 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.7 | -37.1 | 175.7 | -170.2 | -102.1 | 0 | 0 | 0 | 112 | Q169 M170 E171 S176 | Q169-N173 VanDerWaalsContact O-CB 3.3Å; Q169-N173 WeakPolarHBondContact O-CB 3.31Å; Q169-N173 PolarHBondContact O-N 3.39Å; M170-N173 PolarHBondContact O-N 3.49Å; E171-N173 VanDerWaalsContact C-N 3.3Å; E171-N173 PolarHBondContact O-N 3.38Å; N173-S176 PolarHBondContact O-N 2.9Å; N173-S176 PolarHBondContact O-OG 3.38Å |
| 174 | R | 74.8 | Confident | 63.8 | Low | 225 Ų | 225 | 126.8 Ų | 126.8 | 85% | 0.849 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.5 | -32.6 | 175.8 | -176.2 | 180 | 174.8 | 141.5 | 1.1 | 112.3 | M170 E171 | M170-R174 VanDerWaalsContact O-CB 3.3Å; M170-R174 WeakPolarHBondContact O-CB 3.38Å; M170-R174 PolarHBondContact O-N 2.88Å; E171-R174 CarbonylContact O-C 3.56Å; E171-R174 WeakPolarHBondContact O-CA 3.46Å; E171-R174 WeakPolarHBondContact O-CB 3.24Å; E171-R174 PolarHBondContact O-N 3.39Å |
| 175 | E | 68.1 | Low | 63.7 | Low | 123 Ų | 123 | 127.7 Ų | 127.7 | 58% | 0.575 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -80 | -23.9 | 175.6 | -57.6 | 149.3 | -143.4 | 0 | 0 | 112.9 | E171 L172 V177 | E171-E175 VanDerWaalsContact C-CD 3.44Å; E171-E175 VanDerWaalsContact CB-OE1 3.28Å; E171-E175 WeakPolarHBondContact CB-OE1 2.95Å; E171-E175 VanDerWaalsContact O-CD 3.22Å; E171-E175 WeakPolarHBondContact O-CG 3.42Å; E171-E175 PolarHBondContact O-N 2.72Å; L172-E175 WeakPolarHBondContact CA-OE1 3.31Å; L172-E175 PolarHBondContact N-OE1 2.84Å; L172-E175 VanDerWaalsContact N-OE1 3.11Å; L172-E175 PolarHBondContact O-N 3.05Å; E175-V177 PolarHBondContact O-N 2.96Å |
| 176 | S | 66.5 | Low | 62.8 | Low | 66 Ų | 66 | 131.6 Ų | 131.6 | 46% | 0.462 | 66% | 0.661 | S | S | . | * | trans | -70.8 | 116.1 | -175.3 | 71.4 | 0 | 0 | 0 | 0 | 110.9 | L172 N173 R178 | L172-S176 VanDerWaalsContact O-CB 3.25Å; L172-S176 WeakPolarHBondContact O-CB 3.48Å; L172-S176 PolarHBondContact O-N 3.03Å; N173-S176 PolarHBondContact O-N 2.9Å; N173-S176 PolarHBondContact O-OG 3.38Å; S176-R178 PolarHBondContact O-N 3.27Å | ||
| 177 | V | 64.2 | Low | 62.3 | Low | 139 Ų | 139 | 133.8 Ų | 133.8 | 84% | 0.842 | 67% | 0.668 | S | S | * | * | trans | -72.8 | 102.7 | 172.7 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | E175 A179 | E175-V177 PolarHBondContact O-N 2.96Å; V177-A179 PolarHBondContact O-N 2.91Å | ||
| 178 | R | 68.9 | Low | 61.6 | Low | 222 Ų | 222 | 131.4 Ų | 131.4 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 133.3 | 166.4 | -167.2 | -177.1 | -174.5 | 145.6 | 1.4 | 107.4 | S176 | S176-R178 PolarHBondContact O-N 3.27Š|
| 179 | A | 58.6 | Low | 60.9 | Low | 76 Ų | 76 | 133.8 Ų | 133.8 | 63% | 0.628 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 133.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | V177 | V177-A179 PolarHBondContact O-N 2.91Š|
| 180 | P | 57.2 | Low | 60.1 | Low | 105 Ų | 105 | 136 Ų | 136 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 131.9 | 179.7 | -25.5 | 32 | 0 | 0 | 0 | 108.4 | N182 | P180-N182 PolarHBondContact O-N 3.5Š|
| 181 | P | 62.5 | Low | 59.1 | Low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 117.9 | -180 | 21 | -30.2 | 0 | 0 | 0 | 107 | R183 | P181-R183 VanDerWaalsContact C-N 3.35Å; P181-R183 PolarHBondContact O-N 3.19Å |
| 182 | N | 50.4 | Low | 57.5 | Low | 155 Ų | 155 | 138.1 Ų | 138.1 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | trans | -53.2 | 103.4 | 179.4 | -89.4 | -37.9 | 0 | 0 | 0 | 107.7 | P180 T184 | P180-N182 PolarHBondContact O-N 3.5Å; N182-T184 VanDerWaalsContact C-N 3.26Å; N182-T184 PolarHBondContact O-N 3Å | ||
| 183 | R | 54.8 | Low | 56.1 | Low | 206 Ų | 206 | 142 Ų | 142 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | trans | -78.3 | 82.6 | 177.2 | -171.3 | -174.8 | -171.2 | -121.4 | 2.8 | 107.5 | P181 | P181-R183 VanDerWaalsContact C-N 3.35Å; P181-R183 PolarHBondContact O-N 3.19Å | ||
| 184 | T | 58.2 | Low | 54.8 | Low | 114 Ų | 114 | 139.6 Ų | 139.6 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | -139.7 | 98.8 | 160.6 | 55.2 | 0 | 0 | 0 | 0 | 104.6 | N182 | N182-T184 VanDerWaalsContact C-N 3.26Å; N182-T184 PolarHBondContact O-N 3Å | ||
| 185 | I | 53 | Low | 53 | Low | 156 Ų | 156 | 137 Ų | 137 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | -152.4 | 134.7 | 88.5 | -76.5 | 144.2 | 0 | 0 | 0 | 108.6 | D187 | I185-D187 PolarHBondContact O-N 3.44Š| |||
| 186 | Y | 48.2 | Very low | 51.7 | Low | 179 Ų | 179 | 134.7 Ų | 134.7 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | trans | -70.1 | 110 | 160.2 | -86.3 | -95.8 | 0 | 0 | 0 | 106.9 | S188 | Y186-S188 VanDerWaalsContact C-N 3.32Å; Y186-S188 PolarHBondContact O-N 3.29Å | ||
| 187 | D | 51.2 | Low | 50.4 | Low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -82.4 | 88.6 | 165.7 | -157 | -3.2 | 0 | 0 | 0 | 106.6 | I185 | I185-D187 PolarHBondContact O-N 3.44Š| ||
| 188 | S | 51.2 | Low | 49.6 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | trans | -107.7 | 55.8 | 178.3 | -58.4 | 0 | 0 | 0 | 0 | 109.2 | Y186 | Y186-S188 VanDerWaalsContact C-N 3.32Å; Y186-S188 PolarHBondContact O-N 3.29Å | ||
| 189 | D | 50.2 | Low | 48.3 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -96.3 | 110.6 | 171.1 | -75.6 | -10 | 0 | 0 | 0 | 110.2 | ||||
| 190 | L | 50.9 | Low | 47.9 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | 87.3 | 71.5 | 160.2 | -150.7 | 71.3 | 0 | 0 | 0 | 117.6 | D192 | L190-D192 HydrophobicContact CD1-CB 4.34Å; L190-D192 HydrophobicContact CG-CB 4.4Å; L190-D192 PolarHBondContact O-N 3.38Å | ||
| 191 | I | 44.5 | Very low | 47.4 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 94% | 0.938 | 77% | 0.773 | S | S | * | * | trans | -77.1 | 93.9 | 140.8 | 42 | 167.1 | 0 | 0 | 0 | 108.5 | ||||
| 192 | D | 41.8 | Very low | 46.6 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 61% | 0.61 | 77% | 0.771 | S | S | * | * | trans | -119.1 | 139.3 | 150.7 | -168.5 | 19.8 | 0 | 0 | 0 | 108.6 | L190 | L190-D192 HydrophobicContact CD1-CB 4.34Å; L190-D192 HydrophobicContact CG-CB 4.4Å; L190-D192 PolarHBondContact O-N 3.38Å | ||
| 193 | I | 38.7 | Very low | 46.4 | Very low | 151 Ų | 151 | 128 Ų | 128 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | 66.2 | 108.4 | 175.9 | -51.4 | 119.5 | 0 | 0 | 0 | 113.2 | ||||
| 194 | G | 37.3 | Very low | 45.7 | Very low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | cis | 127.1 | 131.2 | 40.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 195 | N | 37.4 | Very low | 44.8 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 92% | 0.92 | 77% | 0.773 | S | S | * | * | trans | 72.5 | 103.4 | 157.1 | -146.1 | 64.7 | 0 | 0 | 0 | 118.8 | ||||
| 196 | G | 39.6 | Very low | 44.3 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | 77.7 | 113.2 | 132 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 197 | G | 40.1 | Very low | 43.8 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 86.6 | 111.4 | 133 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 198 | G | 47.3 | Very low | 43.1 | Very low | 72 Ų | 72 | 119.8 Ų | 119.8 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | 76.5 | 148.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 199 | L | 41.9 | Very low | 42.6 | Very low | 175 Ų | 175 | 121.1 Ų | 121.1 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | cis | -156.3 | 124.4 | 28.7 | -69.7 | 158.3 | 0 | 0 | 0 | 108.1 | ||||
| 200 | G | 49.4 | Very low | 42 | Very low | 67 Ų | 67 | 120.5 Ų | 120.5 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -72.4 | 170.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 201 | P | 46.8 | Very low | 41.6 | Very low | 127 Ų | 127 | 117.2 Ų | 117.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | -158.2 | -160.9 | 73.3 | 39.5 | -16.5 | 0 | 0 | 0 | 113.3 | |||||
| 202 | P | 46.5 | Very low | 41.4 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | -119.1 | 153.9 | -15.2 | 30.3 | -9.8 | 0 | 0 | 0 | 113.5 | ||||
| 203 | S | 45.6 | Very low | 41.3 | Very low | 107 Ų | 107 | 115.1 Ų | 115.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | 55.2 | 134.4 | 76.2 | 139.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 204 | S | 39.9 | Very low | 41.1 | Very low | 100 Ų | 100 | 113.2 Ų | 113.2 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | cis | -166.7 | 143 | 14.8 | -79.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 205 | N | 40.1 | Very low | 41.1 | Very low | 166 Ų | 166 | 115.2 Ų | 115.2 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | -167.4 | 102.1 | 127.4 | 45.3 | -17.3 | 0 | 0 | 0 | 110.8 | |||||
| 206 | S | 42.5 | Very low | 41 | Very low | 130 Ų | 130 | 116.5 Ų | 116.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -70.3 | 146.8 | 174.4 | -64.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 207 | G | 36.3 | Very low | 41 | Very low | 67 Ų | 67 | 116.2 Ų | 116.2 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -157.5 | 97.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 208 | I | 38.1 | Very low | 41.3 | Very low | 162 Ų | 162 | 123 Ų | 123 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | 82.4 | 103.7 | 152.6 | -54.4 | 164.7 | 0 | 0 | 0 | 117.5 | V210 | I208-V210 HydrophobicContact CG2-CG2 4.45Š| ||
| 209 | S | 39.3 | Very low | 41.4 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -82.4 | 135 | 161.4 | -36.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 210 | V | 37.9 | Very low | 41.9 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -125.8 | 113.4 | 152.7 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | I208 | I208-V210 HydrophobicContact CG2-CG2 4.45Š| ||
| 211 | A | 42.1 | Very low | 42.6 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | -71.2 | 138 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 212 | N | 40.2 | Very low | 43.6 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | -152.2 | 135.5 | 129.8 | -129.5 | 20.9 | 0 | 0 | 0 | 112.4 | |||||
| 213 | S | 39.7 | Very low | 44.1 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -63.9 | 155.1 | -178.3 | 48 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 214 | C | 34.4 | Very low | 44.9 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | trans | 148.4 | 96.6 | 133.3 | -80.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 215 | S | 38 | Very low | 46 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | 97.6 | 125.2 | 83.2 | 66.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 216 | H | 36.1 | Very low | 46.3 | Very low | 199 Ų | 199 | 125.9 Ų | 125.9 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | 102.8 | 116 | 149.8 | -142.6 | 35.7 | 0 | 0 | 0 | 117.4 | ||||
| 217 | G | 39.4 | Very low | 47 | Very low | 66 Ų | 66 | 124.1 Ų | 124.1 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | trans | 102.5 | 93.9 | 138 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 218 | R | 46.3 | Very low | 48.1 | Very low | 223 Ų | 223 | 126.5 Ų | 126.5 | 84% | 0.842 | 73% | 0.734 | S | S | * | * | trans | 44.9 | 124.3 | 138.6 | -99.5 | -166.7 | -176.3 | -94.8 | 3.9 | 119.7 | ||||
| 219 | M | 49.1 | Very low | 48.8 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | trans | 88.6 | 85.5 | 136 | -139.7 | 106.8 | 121.8 | 0 | 0 | 116.9 | G221 | M219-G221 PolarHBondContact O-N 3.18Š| ||
| 220 | E | 52.7 | Low | 49.4 | Very low | 209 Ų | 209 | 124.5 Ų | 124.5 | 98% | 0.977 | 72% | 0.716 | S | S | * | * | trans | -84.6 | 76.2 | 155.8 | -165.3 | 169.2 | -172.9 | 0 | 0 | 108.2 | ||||
| 221 | G | 64.4 | Low | 50.3 | Low | 42 Ų | 42 | 120.8 Ų | 120.8 | 43% | 0.433 | 70% | 0.704 | S | S | . | * | trans | -104.5 | 155.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | M219 | M219-G221 PolarHBondContact O-N 3.18Š| ||
| 222 | P | 66.6 | Low | 50.5 | Low | 126 Ų | 126 | 123.8 Ų | 123.8 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 144.1 | 176.4 | 21.3 | -30.5 | 0 | 0 | 0 | 110.1 | ||
| 223 | P | 57.1 | Low | 50.5 | Low | 117 Ų | 117 | 125.7 Ų | 125.7 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 137.7 | -172.1 | 22.4 | -32.6 | 0 | 0 | 0 | 110.3 | A225 | P223-A225 PolarHBondContact O-N 3.14Š|
| 224 | P | 62.7 | Low | 50.9 | Low | 86 Ų | 86 | 127.2 Ų | 127.2 | 56% | 0.558 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 139.6 | -176.4 | 20.5 | -30.3 | 0 | 0 | 0 | 110.5 | E228 | P224-E228 HydrophobicContact CB-CB 4.25Å; P224-E228 VanDerWaalsContact CB-OE2 3.25Å; P224-E228 WeakPolarHBondContact CB-OE2 3.29Å |
| 225 | A | 63.8 | Low | 51.2 | Low | 62 Ų | 62 | 125.4 Ų | 125.4 | 51% | 0.512 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 146.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P223 S227 E228 | P223-A225 PolarHBondContact O-N 3.14Å; A225-S227 PolarHBondContact O-N 3.3Å; A225-E228 PolarHBondContact O-N 3.34Å |
| 226 | Y | 45.1 | Very low | 51.2 | Low | 190 Ų | 190 | 126 Ų | 126 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -49.6 | -26.9 | -173 | -176.4 | -103.3 | 0 | 0 | 0 | 115 | E228 V229 M230 | Y226-E228 VanDerWaalsContact C-N 3.34Å; Y226-E228 PolarHBondContact O-N 3.43Å; Y226-V229 PolarHBondContact O-N 3.41Å; Y226-M230 PolarHBondContact O-N 3.09Å |
| 227 | S | 58.7 | Low | 51.6 | Low | 93 Ų | 93 | 121.7 Ų | 121.7 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -66.7 | -29.3 | 175.7 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | A225 | A225-S227 PolarHBondContact O-N 3.3Å |
| 228 | E | 57.3 | Low | 51.8 | Low | 117 Ų | 117 | 126.5 Ų | 126.5 | 55% | 0.547 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -80.8 | -25 | 179 | -65 | 179.1 | 159 | 0 | 0 | 111.8 | P224 A225 Y226 H232 | P224-E228 HydrophobicContact CB-CB 4.25Å; P224-E228 VanDerWaalsContact CB-OE2 3.25Å; P224-E228 WeakPolarHBondContact CB-OE2 3.29Å; A225-E228 PolarHBondContact O-N 3.34Å; Y226-E228 VanDerWaalsContact C-N 3.34Å; Y226-E228 PolarHBondContact O-N 3.43Å; E228-H232 PolarHBondContact O-CD2 2.94Å; E228-H232 VanDerWaalsContact O-CD2 3.26Å |
| 229 | V | 53.2 | Low | 51.6 | Low | 101 Ų | 101 | 124.8 Ų | 124.8 | 61% | 0.612 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -74.8 | -30.1 | 176.1 | 131.2 | 0 | 0 | 0 | 0 | 112.6 | Y226 | Y226-V229 PolarHBondContact O-N 3.41Å |
| 230 | M | 53.6 | Low | 51.3 | Low | 138 Ų | 138 | 125.6 Ų | 125.6 | 68% | 0.68 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -92.2 | -7.2 | -175.4 | -149.2 | 65.5 | -167.5 | 0 | 0 | 113.7 | Y226 | Y226-M230 PolarHBondContact O-N 3.09Š|
| 231 | G | 55.3 | Low | 50.7 | Low | 56 Ų | 56 | 122.6 Ų | 122.6 | 58% | 0.577 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -96.7 | 1.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 232 | H | 47 | Very low | 49.7 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | trans | -118.6 | 78.3 | -172.9 | -65.1 | -57.5 | 0 | 0 | 0 | 113 | E228 | E228-H232 PolarHBondContact O-CD2 2.94Å; E228-H232 VanDerWaalsContact O-CD2 3.26Å | ||
| 233 | F | 40.9 | Very low | 48.2 | Very low | 199 Ų | 199 | 129.2 Ų | 129.2 | 87% | 0.873 | 71% | 0.706 | S | S | * | * | trans | -114.8 | 98.5 | 151 | -81.4 | -86.6 | 0 | 0 | 0 | 109.1 | ||||
| 234 | P | 46.8 | Very low | 47.2 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | -82.9 | 113 | 164.8 | 31.1 | -25.7 | 0 | 0 | 0 | 108.9 | ||||
| 235 | G | 40.3 | Very low | 46 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | trans | 89.8 | 92.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 236 | S | 39.6 | Very low | 44.7 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | -157.4 | 90.9 | 121.4 | 40.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 237 | T | 44.4 | Very low | 44.7 | Very low | 108 Ų | 108 | 137 Ų | 137 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | trans | -47 | 150.6 | 146.9 | 34.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 238 | F | 42.6 | Very low | 44 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | trans | 112.3 | 114.9 | 150.8 | -60 | -68.1 | 0 | 0 | 0 | 118 | ||||
| 239 | F | 42.5 | Very low | 43.2 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | trans | 74.3 | 100 | 153.9 | -58.8 | -69.6 | 0 | 0 | 0 | 120.6 | ||||
| 240 | L | 43.4 | Very low | 42.7 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | -167.5 | 100.2 | 113.4 | -135.9 | 74.3 | 0 | 0 | 0 | 107.6 | |||||
| 241 | H | 39.1 | Very low | 42 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | 62.4 | 120.7 | 89.2 | -146.5 | -81.2 | 0 | 0 | 0 | 114 | |||||
| 242 | Q | 43.8 | Very low | 41.1 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | trans | 5.8 | 134.1 | 161.1 | -63.3 | -170.1 | 44.5 | 0 | 0 | 118.3 | ||||
| 243 | H | 35.4 | Very low | 40.7 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | 177.7 | 152.4 | 93.9 | -151.6 | -101.1 | 0 | 0 | 0 | 110.5 | |||||
| 244 | S | 36.3 | Very low | 40.6 | Very low | 98 Ų | 98 | 144.9 Ų | 144.9 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | 119.6 | 93 | 144.3 | -156.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 245 | N | 37.8 | Very low | 40.1 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | 34.4 | 112.3 | 131.3 | -79.3 | -12.5 | 0 | 0 | 0 | 119.3 | ||||
| 246 | N | 36.3 | Very low | 40.1 | Very low | 236 Ų | 236 | 153.4 Ų | 153.4 | 100% | 1.262 | 80% | 0.799 | S | S | * | * | -160.6 | 0 | 97.1 | -148.4 | -16 | 0 | 0 | 0 | 109.1 |
Retrieved 246 of 246 residues in 97.3 ms
(Link to these results)