| 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 | 50.9 | Low | 75.6 | Confident | 196 Ų | 196 | 78.8 Ų | 78.8 | 97% | 0.966 | 39% | 0.389 | S | S | * | . | 0 | -69 | 0 | -60.7 | -54 | -145.6 | 0 | 0 | 113 | K3 T4 Q5 | M1-K3 PolarHBondContact O-N 3.15Å; M1-T4 PolarHBondContact O-N 3.01Å; M1-Q5 PolarHBondContact O-N 3.09Å | |||
| 2 | A | 57.4 | Low | 76.7 | Confident | 79 Ų | 79 | 82.8 Ų | 82.8 | 65% | 0.653 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -59.9 | -38.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | E6 | A2-E6 PolarHBondContact O-N 2.63Å |
| 3 | K | 67 | Low | 77.5 | Confident | 170 Ų | 170 | 85.3 Ų | 85.3 | 74% | 0.739 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.2 | -31.7 | 179.3 | -64.4 | -178.2 | 179.6 | 177.6 | 0 | 113.4 | M1 E6 V7 | M1-K3 PolarHBondContact O-N 3.15Å; K3-E6 PolarHBondContact O-N 3.27Å; K3-V7 WeakPolarHBondContact O-CG2 3.49Å; K3-V7 PolarHBondContact O-N 3.44Å |
| 4 | T | 72.8 | Confident | 78.1 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 23% | 0.233 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.6 | -41.7 | 177.7 | -47.8 | 0 | 0 | 0 | 0 | 110.9 | M1 E6 V7 E8 T42 T46 | M1-T4 PolarHBondContact O-N 3.01Å; T4-E6 VanDerWaalsContact C-N 3.31Å; T4-E6 PolarHBondContact O-N 2.89Å; T4-V7 PolarHBondContact O-N 3.35Å; T4-E8 PolarHBondContact O-N 3.43Å; T4-T42 HydrophobicContact CG2-CG2 4.07Å; T4-T46 HydrophobicContact CG2-CG2 4.23Å |
| 5 | Q | 77.6 | Confident | 78.7 | Confident | 109 Ų | 109 | 77.4 Ų | 77.4 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.4 | -35 | 176.3 | -70.4 | -179.1 | -11.5 | 0 | 0 | 112.5 | M1 E8 R9 | M1-Q5 PolarHBondContact O-N 3.09Å; Q5-E8 PolarHBondContact O-N 3.49Å; Q5-R9 VanDerWaalsContact O-CG 3.32Å; Q5-R9 WeakPolarHBondContact O-CG 3.42Å; Q5-R9 PolarHBondContact O-N 3.27Å |
| 6 | E | 81.4 | Confident | 79.3 | Confident | 54 Ų | 54 | 81.4 Ų | 81.4 | 25% | 0.252 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70 | -39.5 | 176.8 | -157.9 | 56.2 | -139.9 | 0 | 0 | 111.9 | A2 K3 T4 E8 R9 I10 | A2-E6 PolarHBondContact O-N 2.63Å; K3-E6 PolarHBondContact O-N 3.27Å; T4-E6 VanDerWaalsContact C-N 3.31Å; T4-E6 PolarHBondContact O-N 2.89Å; E6-E8 VanDerWaalsContact C-N 3.31Å; E6-E8 PolarHBondContact O-N 2.9Å; E6-R9 WeakPolarHBondContact O-CB 3.5Å; E6-R9 PolarHBondContact O-N 2.77Å; E6-R9 WeakPolarHBondContact OE2-CD 3.47Å; E6-R9 IonicContact OE2-CZ 3.78Å; E6-R9 IonicContact OE2-NE 3.99Å; E6-R9 IonicContact OE2-NH1 2.85Å; E6-R9 PolarHBondContact OE2-NH1 3.26Å; E6-I10 WeakPolarHBondContact O-CG1 3.33Å; E6-I10 PolarHBondContact O-N 3.2Å |
| 7 | V | 82.3 | Confident | 79.6 | Confident | 5 Ų | 5 | 78.5 Ų | 78.5 | 3% | 0.03 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.4 | -42 | 171.8 | 173 | 0 | 0 | 0 | 0 | 111.4 | K3 T4 I10 A11 L33 M36 M38 T42 T46 V48 | K3-V7 WeakPolarHBondContact O-CG2 3.49Å; K3-V7 PolarHBondContact O-N 3.44Å; T4-V7 PolarHBondContact O-N 3.35Å; V7-I10 PolarHBondContact O-N 3.01Å; V7-A11 WeakPolarHBondContact O-CB 3.32Å; V7-A11 PolarHBondContact O-N 3.2Å; V7-L33 HydrophobicContact CG1-CD2 4.49Å; V7-M36 HydrophobicContact CG2-CE 3.64Å; V7-M36 HydrophobicContact CG2-SD 4.12Å; V7-M38 HydrophobicContact CG1-CE 3.87Å; V7-M38 HydrophobicContact CG2-CE 4.42Å; V7-T42 HydrophobicContact CB-CG2 4.19Å; V7-T42 HydrophobicContact CG1-CG2 4.07Å; V7-T42 HydrophobicContact CG2-CG2 4.2Å; V7-T46 HydrophobicContact CG1-CG2 4.05Å; V7-V48 HydrophobicContact CG1-CB 4.21Å; V7-V48 HydrophobicContact CG1-CG1 4.25Å; V7-V48 HydrophobicContact CG1-CG2 4.36Å |
| 8 | E | 84 | Confident | 79.8 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 175.6 | -72.3 | -177.4 | -170.6 | 0 | 0 | 113 | T4 Q5 E6 A11 K12 T46 | T4-E8 PolarHBondContact O-N 3.43Å; Q5-E8 PolarHBondContact O-N 3.49Å; E6-E8 VanDerWaalsContact C-N 3.31Å; E6-E8 PolarHBondContact O-N 2.9Å; E8-A11 PolarHBondContact O-N 2.98Å; E8-K12 WeakPolarHBondContact O-CB 3.38Å; E8-K12 VanDerWaalsContact O-CG 3.32Å; E8-K12 WeakPolarHBondContact O-CG 3.29Å; E8-K12 PolarHBondContact O-N 2.98Å; E8-T46 HydrophobicContact CG-CG2 3.42Å; E8-T46 VanDerWaalsContact CG-CG2 3.42Å |
| 9 | R | 86.6 | Confident | 80.1 | Confident | 140 Ų | 140 | 79 Ų | 79 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 176.1 | -74.1 | 169.3 | -178.6 | 174.6 | -1.9 | 110.9 | Q5 E6 K12 K13 | Q5-R9 VanDerWaalsContact O-CG 3.32Å; Q5-R9 WeakPolarHBondContact O-CG 3.42Å; Q5-R9 PolarHBondContact O-N 3.27Å; E6-R9 WeakPolarHBondContact O-CB 3.5Å; E6-R9 PolarHBondContact O-N 2.77Å; E6-R9 WeakPolarHBondContact OE2-CD 3.47Å; E6-R9 IonicContact OE2-CZ 3.78Å; E6-R9 IonicContact OE2-NE 3.99Å; E6-R9 IonicContact OE2-NH1 2.85Å; E6-R9 PolarHBondContact OE2-NH1 3.26Å; R9-K12 PolarHBondContact O-N 3Å; R9-K13 WeakPolarHBondContact O-CG 3.45Å; R9-K13 PolarHBondContact O-N 3.28Å |
| 10 | I | 86.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 177.5 | -62.3 | 170.7 | 0 | 0 | 0 | 110.7 | E6 V7 K12 K13 L14 L29 E32 L33 M36 | E6-I10 WeakPolarHBondContact O-CG1 3.33Å; E6-I10 PolarHBondContact O-N 3.2Å; V7-I10 PolarHBondContact O-N 3.01Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 3.27Å; I10-K13 PolarHBondContact O-N 3.2Å; I10-K13 VanDerWaalsContact O-N 3.13Å; I10-L14 HydrophobicContact CG2-CD1 4.03Å; I10-L14 HydrophobicContact CG2-CG 4.19Å; I10-L14 WeakPolarHBondContact O-CG 3.48Å; I10-L14 PolarHBondContact O-N 3.49Å; I10-L29 HydrophobicContact CG1-CD2 4.47Å; I10-L29 HydrophobicContact CG2-CB 4Å; I10-L29 HydrophobicContact CG2-CD2 4.17Å; I10-E32 HydrophobicContact CD1-CB 4.28Å; I10-E32 HydrophobicContact CD1-CG 3.83Å; I10-L33 HydrophobicContact CB-CD2 4.25Å; I10-L33 HydrophobicContact CB-CG 4.47Å; I10-L33 HydrophobicContact CD1-CD2 4.24Å; I10-L33 HydrophobicContact CD1-CG 4.39Å; I10-L33 HydrophobicContact CG2-CD1 3.77Å; I10-L33 HydrophobicContact CG2-CD2 3.99Å; I10-L33 HydrophobicContact CG2-CG 3.71Å; I10-M36 HydrophobicContact CD1-CE 3.47Å; I10-M36 VanDerWaalsContact CD1-CE 3.47Å |
| 11 | A | 85.5 | Confident | 80.3 | Confident | 5 Ų | 5 | 88.3 Ų | 88.3 | 4% | 0.041 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56.9 | -46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V7 E8 K13 L14 D15 V48 | V7-A11 WeakPolarHBondContact O-CB 3.32Å; V7-A11 PolarHBondContact O-N 3.2Å; E8-A11 PolarHBondContact O-N 2.98Å; A11-K13 PolarHBondContact O-N 3.21Å; A11-L14 PolarHBondContact O-N 2.83Å; A11-D15 PolarHBondContact O-N 3.35Å; A11-V48 HydrophobicContact CB-CB 4.22Å; A11-V48 HydrophobicContact CB-CG2 4.05Å |
| 12 | K | 88.6 | Confident | 81.6 | Confident | 127 Ų | 127 | 82.8 Ų | 82.8 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.9 | -36.1 | 176 | -73.2 | 172.2 | -177.9 | 169 | 0 | 112.9 | E8 R9 I10 K16 | E8-K12 WeakPolarHBondContact O-CB 3.38Å; E8-K12 VanDerWaalsContact O-CG 3.32Å; E8-K12 WeakPolarHBondContact O-CG 3.29Å; E8-K12 PolarHBondContact O-N 2.98Å; R9-K12 PolarHBondContact O-N 3Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 3.27Å; K12-K16 WeakPolarHBondContact O-CB 3.34Å; K12-K16 VanDerWaalsContact O-CG 3.28Å; K12-K16 WeakPolarHBondContact O-CG 3.27Å; K12-K16 PolarHBondContact O-N 2.87Å |
| 13 | K | 86.8 | Confident | 82.4 | Confident | 115 Ų | 115 | 80.5 Ų | 80.5 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67 | -46 | 174.6 | -77.3 | 177.3 | -179.4 | 175.8 | 0 | 111 | R9 I10 A11 D15 K16 M17 L29 | R9-K13 WeakPolarHBondContact O-CG 3.45Å; R9-K13 PolarHBondContact O-N 3.28Å; I10-K13 PolarHBondContact O-N 3.2Å; I10-K13 VanDerWaalsContact O-N 3.13Å; A11-K13 PolarHBondContact O-N 3.21Å; K13-D15 PolarHBondContact O-N 2.99Å; K13-K16 PolarHBondContact O-N 3.14Å; K13-M17 WeakPolarHBondContact O-CG 3.23Å; K13-M17 PolarHBondContact O-N 3.38Å; K13-L29 HydrophobicContact CB-CD1 4.05Å; K13-L29 HydrophobicContact CD-CD2 4.34Å |
| 14 | L | 86.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 176.5 | -71.4 | 176.7 | 0 | 0 | 0 | 111.9 | I10 A11 M17 V18 L29 L30 L33 V52 V55 | I10-L14 HydrophobicContact CG2-CD1 4.03Å; I10-L14 HydrophobicContact CG2-CG 4.19Å; I10-L14 WeakPolarHBondContact O-CG 3.48Å; I10-L14 PolarHBondContact O-N 3.49Å; A11-L14 PolarHBondContact O-N 2.83Å; L14-M17 WeakPolarHBondContact O-CB 3.4Å; L14-M17 PolarHBondContact O-N 3.02Å; L14-V18 VanDerWaalsContact O-CG2 3.3Å; L14-V18 WeakPolarHBondContact O-CG2 3.25Å; L14-V18 PolarHBondContact O-N 3.01Å; L14-L29 HydrophobicContact CD2-CB 3.78Å; L14-L29 HydrophobicContact CD2-CD1 3.73Å; L14-L29 HydrophobicContact CD2-CG 4.43Å; L14-L29 HydrophobicContact CG-CB 4.34Å; L14-L29 HydrophobicContact CG-CD1 4.2Å; L14-L30 HydrophobicContact CD1-CD2 4.43Å; L14-L33 HydrophobicContact CD1-CD1 3.61Å; L14-V52 HydrophobicContact CD1-CG2 3.98Å; L14-V55 HydrophobicContact CB-CG2 3.95Å; L14-V55 HydrophobicContact CD2-CG2 3.97Å; L14-V55 HydrophobicContact CG-CG2 4.4Å |
| 15 | D | 87.4 | Confident | 83.1 | Confident | 52 Ų | 52 | 78.5 Ų | 78.5 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 175.4 | -75.7 | -35.6 | 0 | 0 | 0 | 111.5 | A11 K13 M17 V18 H19 S51 | A11-D15 PolarHBondContact O-N 3.35Å; K13-D15 PolarHBondContact O-N 2.99Å; D15-M17 VanDerWaalsContact C-N 3.27Å; D15-M17 PolarHBondContact O-N 3.07Å; D15-V18 WeakPolarHBondContact O-CB 3.27Å; D15-V18 PolarHBondContact O-N 2.91Å; D15-H19 PolarHBondContact O-N 3.13Å; D15-H19 PolarHBondContact O-ND1 3.33Å; D15-S51 VanDerWaalsContact CG-OG 3.24Å; D15-S51 WeakPolarHBondContact OD1-CA 3.39Å; D15-S51 WeakPolarHBondContact OD1-CB 3.5Å; D15-S51 PolarHBondContact OD1-OG 3.27Å; D15-S51 PolarHBondContact OD2-OG 2.98Å |
| 16 | K | 87.7 | Confident | 83.3 | Confident | 141 Ų | 141 | 73.4 Ų | 73.4 | 61% | 0.613 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.8 | -36.1 | 175.6 | -76.3 | 174.8 | -178.4 | -177.4 | 0 | 112.6 | K12 K13 H19 K20 | K12-K16 WeakPolarHBondContact O-CB 3.34Å; K12-K16 VanDerWaalsContact O-CG 3.28Å; K12-K16 WeakPolarHBondContact O-CG 3.27Å; K12-K16 PolarHBondContact O-N 2.87Å; K13-K16 PolarHBondContact O-N 3.14Å; K16-H19 PolarHBondContact O-N 3.01Å; K16-K20 WeakPolarHBondContact O-CB 3.23Å; K16-K20 WeakPolarHBondContact O-CG 3.32Å; K16-K20 PolarHBondContact O-N 2.92Å |
| 17 | M | 83.7 | Confident | 83.5 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 16% | 0.158 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67 | -44 | 176.8 | -74 | -179.5 | 73.8 | 0 | 0 | 112 | K13 L14 D15 H19 K20 K21 N22 D24 A26 L29 | K13-M17 WeakPolarHBondContact O-CG 3.23Å; K13-M17 PolarHBondContact O-N 3.38Å; L14-M17 WeakPolarHBondContact O-CB 3.4Å; L14-M17 PolarHBondContact O-N 3.02Å; D15-M17 VanDerWaalsContact C-N 3.27Å; D15-M17 PolarHBondContact O-N 3.07Å; M17-H19 PolarHBondContact O-N 2.94Å; M17-K20 CarbonylContact O-C 3.57Å; M17-K20 PolarHBondContact O-N 3.15Å; M17-K21 PolarHBondContact O-N 3.22Å; M17-N22 VanDerWaalsContact CB-O 3.32Å; M17-N22 WeakPolarHBondContact CB-O 3.44Å; M17-N22 WeakPolarHBondContact CE-O 3.47Å; M17-N22 PolarHBondContact O-N 3.48Å; M17-N22 VanDerWaalsContact O-N 3.16Å; M17-D24 WeakPolarHBondContact CE-O 3.24Å; M17-A26 HydrophobicContact CE-CB 4.03Å; M17-L29 HydrophobicContact SD-CD1 3.7Å |
| 18 | V | 84.2 | Confident | 83.7 | Confident | 13 Ų | 13 | 77.9 Ų | 77.9 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 172.3 | 166.2 | 0 | 0 | 0 | 0 | 111 | L14 D15 K20 K21 A54 V55 Q58 | L14-V18 VanDerWaalsContact O-CG2 3.3Å; L14-V18 WeakPolarHBondContact O-CG2 3.25Å; L14-V18 PolarHBondContact O-N 3.01Å; D15-V18 WeakPolarHBondContact O-CB 3.27Å; D15-V18 PolarHBondContact O-N 2.91Å; V18-K20 VanDerWaalsContact C-N 3.33Å; V18-K20 PolarHBondContact O-N 3.18Å; V18-K21 PolarHBondContact O-N 3.09Å; V18-A54 HydrophobicContact CG1-CB 3.94Å; V18-A54 HydrophobicContact CG2-CB 4.12Å; V18-V55 HydrophobicContact CG2-CB 4.25Å; V18-V55 HydrophobicContact CG2-CG2 3.47Å; V18-V55 VanDerWaalsContact CG2-CG2 3.47Å; V18-Q58 VanDerWaalsContact CA-OE1 3.24Å; V18-Q58 VanDerWaalsContact CG1-CD 3.41Å; V18-Q58 VanDerWaalsContact CG1-NE2 3.28Å; V18-Q58 PolarHBondContact O-OE1 3.13Å |
| 19 | H | 84.9 | Confident | 83.9 | Confident | 154 Ų | 154 | 75.5 Ų | 75.5 | 71% | 0.713 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66 | -34.2 | 178.1 | -72.9 | 79.5 | 0 | 0 | 0 | 113.1 | D15 K16 M17 K21 | D15-H19 PolarHBondContact O-N 3.13Å; D15-H19 PolarHBondContact O-ND1 3.33Å; K16-H19 PolarHBondContact O-N 3.01Å; M17-H19 PolarHBondContact O-N 2.94Å; H19-K21 VanDerWaalsContact C-N 3.31Å |
| 20 | K | 84.3 | Confident | 83.9 | Confident | 169 Ų | 169 | 68.9 Ų | 68.9 | 74% | 0.735 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -0.5 | 178.7 | -69.8 | -176.9 | 177.4 | -169.7 | 0 | 113.7 | K16 M17 V18 N22 | K16-K20 WeakPolarHBondContact O-CB 3.23Å; K16-K20 WeakPolarHBondContact O-CG 3.32Å; K16-K20 PolarHBondContact O-N 2.92Å; M17-K20 CarbonylContact O-C 3.57Å; M17-K20 PolarHBondContact O-N 3.15Å; V18-K20 VanDerWaalsContact C-N 3.33Å; V18-K20 PolarHBondContact O-N 3.18Å; K20-N22 PolarHBondContact O-N 3.4Å; K20-N22 VanDerWaalsContact O-N 3.08Å |
| 21 | K | 80.6 | Confident | 83.9 | Confident | 185 Ų | 185 | 74.6 Ų | 74.6 | 80% | 0.804 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 25.3 | -173.7 | -57.8 | -178.8 | -180 | 178.7 | 0 | 113.6 | M17 V18 H19 | M17-K21 PolarHBondContact O-N 3.22Å; V18-K21 PolarHBondContact O-N 3.09Å; H19-K21 VanDerWaalsContact C-N 3.31Å |
| 22 | N | 78.8 | Confident | 83.9 | Confident | 79 Ų | 79 | 78.5 Ų | 78.5 | 42% | 0.422 | 38% | 0.377 | S | S | . | . | trans | -110 | 113.8 | 178.8 | -175.5 | -5.7 | 0 | 0 | 0 | 107.9 | M17 K20 D24 | M17-N22 VanDerWaalsContact CB-O 3.32Å; M17-N22 WeakPolarHBondContact CB-O 3.44Å; M17-N22 WeakPolarHBondContact CE-O 3.47Å; M17-N22 PolarHBondContact O-N 3.48Å; M17-N22 VanDerWaalsContact O-N 3.16Å; K20-N22 PolarHBondContact O-N 3.4Å; K20-N22 VanDerWaalsContact O-N 3.08Å; N22-D24 VanDerWaalsContact OD1-CB 3.31Å; N22-D24 WeakPolarHBondContact OD1-CB 3.3Å; N22-D24 PolarHBondContact OD1-N 2.97Å; N22-D24 PolarHBondContact OD1-OD2 3.42Å | ||
| 23 | T | 73.2 | Confident | 83.7 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | trans | -100.5 | 0.8 | -176.6 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | G25 A26 | T23-G25 PolarHBondContact O-N 2.86Å; T23-A26 VanDerWaalsContact O-CB 3.23Å; T23-A26 WeakPolarHBondContact O-CB 3.47Å; T23-A26 PolarHBondContact O-N 3.31Å | ||
| 24 | D | 74.5 | Confident | 83.6 | Confident | 129 Ų | 129 | 73.1 Ų | 73.1 | 69% | 0.69 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 115.5 | 179.4 | -61.7 | -27.1 | 0 | 0 | 0 | 110.2 | M17 N22 | M17-D24 WeakPolarHBondContact CE-O 3.24Å; N22-D24 VanDerWaalsContact OD1-CB 3.31Å; N22-D24 WeakPolarHBondContact OD1-CB 3.3Å; N22-D24 PolarHBondContact OD1-N 2.97Å; N22-D24 PolarHBondContact OD1-OD2 3.42Å |
| 25 | G | 79.3 | Confident | 83.3 | Confident | 38 Ų | 38 | 79.7 Ų | 79.7 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | 0.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T23 L27 D28 L29 | T23-G25 PolarHBondContact O-N 2.86Å; G25-L27 PolarHBondContact O-N 2.71Å; G25-D28 PolarHBondContact O-N 2.93Å; G25-L29 PolarHBondContact O-N 2.94Å |
| 26 | A | 83.2 | Confident | 82.8 | Confident | 1 Ų | 1 | 79.1 Ų | 79.1 | 1% | 0.008 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.3 | -31.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M17 T23 L30 V55 V64 | M17-A26 HydrophobicContact CE-CB 4.03Å; T23-A26 VanDerWaalsContact O-CB 3.23Å; T23-A26 WeakPolarHBondContact O-CB 3.47Å; T23-A26 PolarHBondContact O-N 3.31Å; A26-L30 WeakPolarHBondContact O-CB 3.33Å; A26-L30 WeakPolarHBondContact O-CG 3.39Å; A26-L30 PolarHBondContact O-N 3.16Å; A26-V55 HydrophobicContact CB-CG1 4.01Å; A26-V64 HydrophobicContact CB-CG1 4.39Å |
| 27 | L | 85.2 | Confident | 81.6 | Confident | 44 Ų | 44 | 82.5 Ų | 82.5 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 175.9 | -78 | 176.5 | 0 | 0 | 0 | 112.7 | G25 L30 R31 E63 V64 L67 | G25-L27 PolarHBondContact O-N 2.71Å; L27-L30 PolarHBondContact O-N 3.07Å; L27-R31 VanDerWaalsContact O-CG 3.32Å; L27-R31 WeakPolarHBondContact O-CG 3.32Å; L27-R31 PolarHBondContact O-N 3.46Å; L27-E63 HydrophobicContact CD1-CB 4.46Å; L27-E63 HydrophobicContact CD2-CB 3.92Å; L27-V64 HydrophobicContact CD1-CG2 4.27Å; L27-V64 HydrophobicContact CD2-CB 4.07Å; L27-V64 HydrophobicContact CD2-CG2 3.34Å; L27-V64 HydrophobicContact CG-CG2 3.41Å; L27-V64 VanDerWaalsContact CG-CG2 3.41Å; L27-L67 HydrophobicContact CD2-CD1 4.01Å |
| 28 | D | 87.3 | Confident | 81 | Confident | 110 Ų | 110 | 82 Ų | 82 | 59% | 0.588 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.4 | -41.6 | -176.2 | -63.5 | -31.7 | 0 | 0 | 0 | 111.1 | G25 L30 R31 E32 | G25-D28 PolarHBondContact O-N 2.93Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.4Å; D28-R31 PolarHBondContact O-N 3.33Å; D28-E32 WeakPolarHBondContact O-CB 3.32Å; D28-E32 PolarHBondContact O-N 2.96Å |
| 29 | L | 86.3 | Confident | 80.6 | Confident | 20 Ų | 20 | 84 Ų | 84 | 11% | 0.105 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 174.4 | -65.7 | 177.3 | 0 | 0 | 0 | 112.2 | I10 K13 L14 M17 G25 L33 | I10-L29 HydrophobicContact CG1-CD2 4.47Å; I10-L29 HydrophobicContact CG2-CB 4Å; I10-L29 HydrophobicContact CG2-CD2 4.17Å; K13-L29 HydrophobicContact CB-CD1 4.05Å; K13-L29 HydrophobicContact CD-CD2 4.34Å; L14-L29 HydrophobicContact CD2-CB 3.78Å; L14-L29 HydrophobicContact CD2-CD1 3.73Å; L14-L29 HydrophobicContact CD2-CG 4.43Å; L14-L29 HydrophobicContact CG-CB 4.34Å; L14-L29 HydrophobicContact CG-CD1 4.2Å; M17-L29 HydrophobicContact SD-CD1 3.7Å; G25-L29 PolarHBondContact O-N 2.94Å; L29-L33 WeakPolarHBondContact O-CB 3.19Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 2.89Å |
| 30 | L | 86.6 | Confident | 80.2 | Confident | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.5 | -35.3 | 174.4 | -70.2 | 174.6 | 0 | 0 | 0 | 112.5 | L14 A26 L27 D28 L33 K34 V52 V64 A68 L71 | L14-L30 HydrophobicContact CD1-CD2 4.43Å; A26-L30 WeakPolarHBondContact O-CB 3.33Å; A26-L30 WeakPolarHBondContact O-CG 3.39Å; A26-L30 PolarHBondContact O-N 3.16Å; L27-L30 PolarHBondContact O-N 3.07Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.4Å; L30-L33 HydrophobicContact CD2-CD1 4.33Å; L30-L33 PolarHBondContact O-N 3.38Å; L30-K34 WeakPolarHBondContact O-CB 3.43Å; L30-K34 PolarHBondContact O-N 3.36Å; L30-V52 HydrophobicContact CD2-CB 4.47Å; L30-V52 HydrophobicContact CD2-CG1 3.83Å; L30-V52 HydrophobicContact CD2-CG2 3.98Å; L30-V64 HydrophobicContact CD1-CG1 3.7Å; L30-A68 HydrophobicContact CD1-CB 4.21Å; L30-L71 HydrophobicContact CB-CD1 4.39Å; L30-L71 HydrophobicContact CD2-CD1 4.02Å |
| 31 | R | 86.5 | Confident | 79.7 | Confident | 121 Ų | 121 | 79 Ų | 79 | 46% | 0.457 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 173.7 | -73 | 173.7 | -172.5 | -87.7 | -0.5 | 111.2 | L27 D28 K34 N35 L67 | L27-R31 VanDerWaalsContact O-CG 3.32Å; L27-R31 WeakPolarHBondContact O-CG 3.32Å; L27-R31 PolarHBondContact O-N 3.46Å; D28-R31 PolarHBondContact O-N 3.33Å; R31-K34 WeakPolarHBondContact O-CB 3.47Å; R31-K34 PolarHBondContact O-N 3.21Å; R31-N35 PolarHBondContact O-N 2.7Å; R31-N35 VanDerWaalsContact O-N 3.17Å; R31-L67 HydrophobicContact CG-CD1 4.3Å |
| 32 | E | 86.9 | Confident | 79.4 | Confident | 87 Ų | 87 | 70.8 Ų | 70.8 | 41% | 0.407 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 174.5 | -167.8 | 171.4 | -165 | 0 | 0 | 111.3 | I10 D28 K34 N35 M36 | I10-E32 HydrophobicContact CD1-CB 4.28Å; I10-E32 HydrophobicContact CD1-CG 3.83Å; D28-E32 WeakPolarHBondContact O-CB 3.32Å; D28-E32 PolarHBondContact O-N 2.96Å; E32-K34 VanDerWaalsContact C-N 3.28Å; E32-K34 PolarHBondContact O-N 2.88Å; E32-N35 PolarHBondContact O-N 2.89Å; E32-M36 PolarHBondContact O-N 2.89Å |
| 33 | L | 84.6 | Confident | 79.5 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.1 | -33.5 | 172.5 | -76.1 | 171.6 | 0 | 0 | 0 | 113.3 | V7 I10 L14 L29 L30 M36 V48 V52 L71 | V7-L33 HydrophobicContact CG1-CD2 4.49Å; I10-L33 HydrophobicContact CB-CD2 4.25Å; I10-L33 HydrophobicContact CB-CG 4.47Å; I10-L33 HydrophobicContact CD1-CD2 4.24Å; I10-L33 HydrophobicContact CD1-CG 4.39Å; I10-L33 HydrophobicContact CG2-CD1 3.77Å; I10-L33 HydrophobicContact CG2-CD2 3.99Å; I10-L33 HydrophobicContact CG2-CG 3.71Å; L14-L33 HydrophobicContact CD1-CD1 3.61Å; L29-L33 WeakPolarHBondContact O-CB 3.19Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 2.89Å; L30-L33 HydrophobicContact CD2-CD1 4.33Å; L30-L33 PolarHBondContact O-N 3.38Å; L33-M36 HydrophobicContact CD2-CE 3.94Å; L33-V48 HydrophobicContact CD1-CG2 4.2Å; L33-V48 HydrophobicContact CD2-CG2 4.19Å; L33-V52 HydrophobicContact CD1-CG2 3.88Å; L33-L71 HydrophobicContact CB-CD1 4.4Å |
| 34 | K | 83.7 | Confident | 79.8 | Confident | 127 Ų | 127 | 72.6 Ų | 72.6 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67.7 | -36.6 | 177 | -173.8 | -177.1 | 175.6 | -175.2 | 0 | 112.7 | L30 R31 E32 M36 L71 | L30-K34 WeakPolarHBondContact O-CB 3.43Å; L30-K34 PolarHBondContact O-N 3.36Å; R31-K34 WeakPolarHBondContact O-CB 3.47Å; R31-K34 PolarHBondContact O-N 3.21Å; E32-K34 VanDerWaalsContact C-N 3.28Å; E32-K34 PolarHBondContact O-N 2.88Å; K34-M36 VanDerWaalsContact C-N 3.3Å; K34-L71 HydrophobicContact CB-CD2 3.91Å; K34-L71 HydrophobicContact CG-CD2 4.18Å |
| 35 | N | 81.1 | Confident | 79.9 | Confident | 138 Ų | 138 | 69.7 Ų | 69.7 | 74% | 0.738 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -78.5 | -16.2 | -178.3 | -72.9 | -10.3 | 0 | 0 | 0 | 112.8 | R31 E32 | R31-N35 PolarHBondContact O-N 2.7Å; R31-N35 VanDerWaalsContact O-N 3.17Å; E32-N35 PolarHBondContact O-N 2.89Å |
| 36 | M | 76.9 | Confident | 80 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 20% | 0.197 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -85.2 | 121.5 | 174.7 | -67.6 | -162.7 | -73.5 | 0 | 0 | 111.6 | V7 I10 E32 L33 K34 M38 | V7-M36 HydrophobicContact CG2-CE 3.64Å; V7-M36 HydrophobicContact CG2-SD 4.12Å; I10-M36 HydrophobicContact CD1-CE 3.47Å; I10-M36 VanDerWaalsContact CD1-CE 3.47Å; E32-M36 PolarHBondContact O-N 2.89Å; L33-M36 HydrophobicContact CD2-CE 3.94Å; K34-M36 VanDerWaalsContact C-N 3.3Å; M36-M38 PolarHBondContact O-N 2.65Å; M36-M38 VanDerWaalsContact O-N 3.08Å |
| 37 | K | 62.5 | Low | 80 | Confident | 213 Ų | 213 | 76.7 Ų | 76.7 | 93% | 0.926 | 37% | 0.37 | S | S | * | . | trans | -66 | 108.5 | 170.8 | -73.3 | -175.9 | 178.3 | 169.6 | 0 | 109.6 | ||||
| 38 | M | 70.6 | Confident | 79.9 | Confident | 22 Ų | 22 | 74.6 Ų | 74.6 | 11% | 0.108 | 36% | 0.359 | C | S | . | . | trans | -84.6 | 130.6 | -179.7 | -65.1 | -142 | 59.3 | 0 | 0 | 111.7 | V7 M36 T42 L43 V48 W75 | V7-M38 HydrophobicContact CG1-CE 3.87Å; V7-M38 HydrophobicContact CG2-CE 4.42Å; M36-M38 PolarHBondContact O-N 2.65Å; M36-M38 VanDerWaalsContact O-N 3.08Å; M38-T42 HydrophobicContact CE-CG2 3.88Å; M38-L43 HydrophobicContact CE-CD1 4.32Å; M38-V48 HydrophobicContact CE-CG1 3.72Å; M38-V48 HydrophobicContact SD-CG1 4.14Å; M38-W75 HydrophobicContact CG-CZ2 4.2Å; M38-W75 HydrophobicContact SD-CD2 4.15Å; M38-W75 HydrophobicContact SD-CH2 3.89Å; M38-W75 HydrophobicContact SD-CZ2 3.12Å; M38-W75 WeakPolarHBondContact SD-CZ2 3.34Å; M38-W75 PolarHBondContact SD-NE1 2.63Å; M38-W75 VanDerWaalsContact SD-NE1 3.38Å | ||
| 39 | S | 75.4 | Confident | 79.8 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | trans | -94.3 | 154 | 169.2 | 67 | 0 | 0 | 0 | 0 | 111 | E41 T42 L43 | S39-E41 VanDerWaalsContact C-N 3.27Å; S39-E41 PolarHBondContact O-N 3.49Å; S39-T42 WeakPolarHBondContact O-CB 3.43Å; S39-T42 PolarHBondContact O-N 3.43Å; S39-T42 VanDerWaalsContact O-N 3.08Å; S39-T42 PolarHBondContact OG-N 2.82Å; S39-T42 PolarHBondContact OG-OG1 3.17Å; S39-L43 PolarHBondContact O-N 3.38Å | ||
| 40 | L | 76.3 | Confident | 79.7 | Confident | 64 Ų | 64 | 75.2 Ų | 75.2 | 34% | 0.335 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -54.8 | -43.4 | 177.9 | -179.4 | 149.8 | 0 | 0 | 0 | 112 | T42 L43 Q44 L79 A82 | L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.42Å; L40-L43 PolarHBondContact O-N 2.95Å; L40-Q44 HydrophobicContact CD2-CG 4.46Å; L40-Q44 PolarHBondContact O-N 3.23Å; L40-L79 HydrophobicContact CD1-CD2 3.99Å; L40-L79 HydrophobicContact CG-CD2 4.02Å; L40-A82 HydrophobicContact CD1-CB 3.84Å |
| 41 | E | 73.4 | Confident | 79.7 | Confident | 152 Ų | 152 | 75.4 Ų | 75.4 | 71% | 0.71 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.3 | -38.3 | 177.1 | -170.6 | -177 | -175.5 | 0 | 0 | 112.5 | S39 S45 | S39-E41 VanDerWaalsContact C-N 3.27Å; S39-E41 PolarHBondContact O-N 3.49Å; E41-S45 WeakPolarHBondContact O-CB 3.31Å; E41-S45 PolarHBondContact O-N 2.85Å; E41-S45 VanDerWaalsContact O-N 3.11Å; E41-S45 PolarHBondContact O-OG 2.82Å |
| 42 | T | 76.3 | Confident | 79.8 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 9% | 0.086 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.7 | -37.1 | 176.6 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | T4 V7 M38 S39 L40 S45 T46 | T4-T42 HydrophobicContact CG2-CG2 4.07Å; V7-T42 HydrophobicContact CB-CG2 4.19Å; V7-T42 HydrophobicContact CG1-CG2 4.07Å; V7-T42 HydrophobicContact CG2-CG2 4.2Å; M38-T42 HydrophobicContact CE-CG2 3.88Å; S39-T42 WeakPolarHBondContact O-CB 3.43Å; S39-T42 PolarHBondContact O-N 3.43Å; S39-T42 VanDerWaalsContact O-N 3.08Å; S39-T42 PolarHBondContact OG-N 2.82Å; S39-T42 PolarHBondContact OG-OG1 3.17Å; L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.42Å; T42-S45 WeakPolarHBondContact CA-OG 3.49Å; T42-S45 PolarHBondContact O-OG 3.37Å; T42-T46 HydrophobicContact CG2-CG2 4Å; T42-T46 VanDerWaalsContact O-CB 3.3Å; T42-T46 WeakPolarHBondContact O-CB 3.28Å; T42-T46 VanDerWaalsContact O-CG2 3.24Å; T42-T46 WeakPolarHBondContact O-CG2 3.49Å; T42-T46 PolarHBondContact O-N 3.03Å; T42-T46 PolarHBondContact O-OG1 3.22Å |
| 43 | L | 79.7 | Confident | 79.9 | Confident | 26 Ų | 26 | 67.8 Ų | 67.8 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.1 | -40.4 | -180 | -165 | 111 | 0 | 0 | 0 | 112.4 | M38 S39 L40 R47 V48 W75 L79 | M38-L43 HydrophobicContact CE-CD1 4.32Å; S39-L43 PolarHBondContact O-N 3.38Å; L40-L43 PolarHBondContact O-N 2.95Å; L43-R47 PolarHBondContact O-N 3.46Å; L43-V48 HydrophobicContact CD1-CG1 4.38Å; L43-W75 HydrophobicContact CD1-CB 3.49Å; L43-W75 VanDerWaalsContact CD1-CB 3.49Å; L43-W75 HydrophobicContact CD1-CD2 3.47Å; L43-W75 VanDerWaalsContact CD1-CD2 3.47Å; L43-W75 HydrophobicContact CD1-CE3 3.7Å; L43-W75 HydrophobicContact CD1-CG 3.37Å; L43-L79 HydrophobicContact CD2-CD1 3.73Å; L43-L79 HydrophobicContact CD2-CD2 4.41Å; L43-L79 HydrophobicContact CD2-CG 4.22Å |
| 44 | Q | 78.9 | Confident | 80.1 | Confident | 121 Ų | 121 | 69 Ų | 69 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -71.8 | -43.6 | 179.2 | -70.8 | -179.3 | -13.6 | 0 | 0 | 112.2 | L40 | L40-Q44 HydrophobicContact CD2-CG 4.46Å; L40-Q44 PolarHBondContact O-N 3.23Å |
| 45 | S | 77.8 | Confident | 80.2 | Confident | 69 Ų | 69 | 63.1 Ų | 63.1 | 48% | 0.483 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.3 | -45.1 | -179.5 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | E41 T42 | E41-S45 WeakPolarHBondContact O-CB 3.31Å; E41-S45 PolarHBondContact O-N 2.85Å; E41-S45 VanDerWaalsContact O-N 3.11Å; E41-S45 PolarHBondContact O-OG 2.82Å; T42-S45 WeakPolarHBondContact CA-OG 3.49Å; T42-S45 PolarHBondContact O-OG 3.37Å |
| 46 | T | 81.8 | Confident | 80.6 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -83.8 | -17.5 | -174.1 | 65.6 | 0 | 0 | 0 | 0 | 114 | T4 V7 E8 T42 V48 | T4-T46 HydrophobicContact CG2-CG2 4.23Å; V7-T46 HydrophobicContact CG1-CG2 4.05Å; E8-T46 HydrophobicContact CG-CG2 3.42Å; E8-T46 VanDerWaalsContact CG-CG2 3.42Å; T42-T46 HydrophobicContact CG2-CG2 4Å; T42-T46 VanDerWaalsContact O-CB 3.3Å; T42-T46 WeakPolarHBondContact O-CB 3.28Å; T42-T46 VanDerWaalsContact O-CG2 3.24Å; T42-T46 WeakPolarHBondContact O-CG2 3.49Å; T42-T46 PolarHBondContact O-N 3.03Å; T42-T46 PolarHBondContact O-OG1 3.22Å; T46-V48 PolarHBondContact O-N 2.98Å |
| 47 | R | 82.8 | Confident | 81.1 | Confident | 168 Ų | 168 | 64.9 Ų | 64.9 | 63% | 0.634 | 32% | 0.321 | S | S | * | . | trans | 53.3 | 23 | -176.2 | -66.8 | -171.4 | -110.2 | -171.3 | 0.4 | 114.6 | L43 G49 M50 | L43-R47 PolarHBondContact O-N 3.46Å; R47-G49 PolarHBondContact O-N 3.34Å; R47-M50 HydrophobicContact CB-CE 3.63Å; R47-M50 HydrophobicContact CG-CE 3.83Å; R47-M50 PolarHBondContact O-N 3.11Å | ||
| 48 | V | 83.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.6 | -27.4 | -176.3 | 66.8 | 0 | 0 | 0 | 0 | 113.7 | V7 A11 L33 M38 L43 T46 M50 S51 V52 W75 | V7-V48 HydrophobicContact CG1-CB 4.21Å; V7-V48 HydrophobicContact CG1-CG1 4.25Å; V7-V48 HydrophobicContact CG1-CG2 4.36Å; A11-V48 HydrophobicContact CB-CB 4.22Å; A11-V48 HydrophobicContact CB-CG2 4.05Å; L33-V48 HydrophobicContact CD1-CG2 4.2Å; L33-V48 HydrophobicContact CD2-CG2 4.19Å; M38-V48 HydrophobicContact CE-CG1 3.72Å; M38-V48 HydrophobicContact SD-CG1 4.14Å; L43-V48 HydrophobicContact CD1-CG1 4.38Å; T46-V48 PolarHBondContact O-N 2.98Å; V48-M50 PolarHBondContact O-N 2.96Å; V48-S51 PolarHBondContact O-N 3.32Å; V48-V52 HydrophobicContact CG2-CG2 4.08Å; V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 2.9Å; V48-W75 HydrophobicContact CG1-CH2 4.11Å; V48-W75 HydrophobicContact CG1-CZ3 4.02Å; V48-W75 HydrophobicContact CG2-CH2 4.26Å |
| 49 | G | 84.4 | Confident | 82.7 | Confident | 25 Ų | 25 | 58.4 Ų | 58.4 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.4 | -30.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R47 N53 | R47-G49 PolarHBondContact O-N 3.34Å; G49-N53 WeakPolarHBondContact O-CB 3.35Å; G49-N53 PolarHBondContact O-N 3.27Å; G49-N53 VanDerWaalsContact O-N 3.16Å |
| 50 | M | 85.2 | Confident | 83 | Confident | 118 Ų | 118 | 61.1 Ų | 61.1 | 58% | 0.581 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -75.3 | -45.2 | 175.6 | -67.9 | -165.1 | -72.8 | 0 | 0 | 111.6 | R47 V48 V52 N53 A54 | R47-M50 HydrophobicContact CB-CE 3.63Å; R47-M50 HydrophobicContact CG-CE 3.83Å; R47-M50 PolarHBondContact O-N 3.11Å; V48-M50 PolarHBondContact O-N 2.96Å; M50-V52 PolarHBondContact O-N 3.42Å; M50-N53 PolarHBondContact O-N 2.89Å; M50-A54 WeakPolarHBondContact O-CB 3.19Å; M50-A54 PolarHBondContact O-N 3.19Å |
| 51 | S | 85.7 | Confident | 83.4 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 177.6 | -44 | 0 | 0 | 0 | 0 | 111.2 | D15 V48 N53 A54 V55 | D15-S51 VanDerWaalsContact CG-OG 3.24Å; D15-S51 WeakPolarHBondContact OD1-CA 3.39Å; D15-S51 WeakPolarHBondContact OD1-CB 3.5Å; D15-S51 PolarHBondContact OD1-OG 3.27Å; D15-S51 PolarHBondContact OD2-OG 2.98Å; V48-S51 PolarHBondContact O-N 3.32Å; S51-N53 PolarHBondContact O-N 3.15Å; S51-A54 WeakPolarHBondContact O-CB 3.47Å; S51-A54 PolarHBondContact O-N 3.37Å; S51-V55 VanDerWaalsContact O-CG2 3.3Å; S51-V55 WeakPolarHBondContact O-CG2 2.9Å; S51-V55 PolarHBondContact O-N 3.42Å |
| 52 | V | 88.9 | Confident | 84 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 176.3 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | L14 L30 L33 V48 M50 R56 A68 I72 W75 | L14-V52 HydrophobicContact CD1-CG2 3.98Å; L30-V52 HydrophobicContact CD2-CB 4.47Å; L30-V52 HydrophobicContact CD2-CG1 3.83Å; L30-V52 HydrophobicContact CD2-CG2 3.98Å; L33-V52 HydrophobicContact CD1-CG2 3.88Å; V48-V52 HydrophobicContact CG2-CG2 4.08Å; V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 2.9Å; M50-V52 PolarHBondContact O-N 3.42Å; V52-R56 PolarHBondContact O-N 2.71Å; V52-A68 HydrophobicContact CG1-CB 3.75Å; V52-I72 HydrophobicContact CG1-CD1 4.3Å; V52-I72 HydrophobicContact CG1-CG1 4.2Å; V52-W75 HydrophobicContact CB-CZ3 4.23Å; V52-W75 HydrophobicContact CG1-CZ3 4.5Å; V52-W75 HydrophobicContact CG2-CH2 3.95Å; V52-W75 HydrophobicContact CG2-CZ3 3.98Å |
| 53 | N | 89.2 | Confident | 84.4 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.1 | -30.6 | 175.2 | -176.5 | 63.6 | 0 | 0 | 0 | 112.6 | G49 M50 S51 R56 K57 I72 | G49-N53 WeakPolarHBondContact O-CB 3.35Å; G49-N53 PolarHBondContact O-N 3.27Å; G49-N53 VanDerWaalsContact O-N 3.16Å; M50-N53 PolarHBondContact O-N 2.89Å; S51-N53 PolarHBondContact O-N 3.15Å; N53-R56 PolarHBondContact OD1-NH1 2.67Å; N53-R56 PolarHBondContact OD1-NH2 2.93Å; N53-K57 WeakPolarHBondContact O-CG 3.35Å; N53-K57 PolarHBondContact O-N 3.16Å; N53-I72 HydrophobicContact CB-CD1 3.99Å |
| 54 | A | 88.1 | Confident | 84.7 | Confident | 26 Ų | 26 | 64 Ų | 64 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.4 | -46.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | V18 M50 S51 R56 K57 Q58 | V18-A54 HydrophobicContact CG1-CB 3.94Å; V18-A54 HydrophobicContact CG2-CB 4.12Å; M50-A54 WeakPolarHBondContact O-CB 3.19Å; M50-A54 PolarHBondContact O-N 3.19Å; S51-A54 WeakPolarHBondContact O-CB 3.47Å; S51-A54 PolarHBondContact O-N 3.37Å; A54-R56 VanDerWaalsContact C-N 3.34Å; A54-R56 PolarHBondContact O-N 3.06Å; A54-K57 PolarHBondContact O-N 3.42Å; A54-K57 VanDerWaalsContact O-N 3.08Å; A54-Q58 PolarHBondContact O-N 3.43Å |
| 55 | V | 86.8 | Confident | 85.2 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.1 | -48.6 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | L14 V18 A26 S51 K57 Q58 S59 V64 | L14-V55 HydrophobicContact CB-CG2 3.95Å; L14-V55 HydrophobicContact CD2-CG2 3.97Å; L14-V55 HydrophobicContact CG-CG2 4.4Å; V18-V55 HydrophobicContact CG2-CB 4.25Å; V18-V55 HydrophobicContact CG2-CG2 3.47Å; V18-V55 VanDerWaalsContact CG2-CG2 3.47Å; A26-V55 HydrophobicContact CB-CG1 4.01Å; S51-V55 VanDerWaalsContact O-CG2 3.3Å; S51-V55 WeakPolarHBondContact O-CG2 2.9Å; S51-V55 PolarHBondContact O-N 3.42Å; V55-K57 PolarHBondContact O-N 3.28Å; V55-K57 VanDerWaalsContact O-N 3.13Å; V55-Q58 PolarHBondContact O-N 3.49Å; V55-Q58 VanDerWaalsContact O-N 3.13Å; V55-S59 VanDerWaalsContact O-CB 3.3Å; V55-S59 WeakPolarHBondContact O-CB 3.48Å; V55-S59 PolarHBondContact O-N 2.76Å; V55-S59 PolarHBondContact O-OG 3.44Å; V55-V64 HydrophobicContact CG1-CG1 3.71Å |
| 56 | R | 88.3 | Confident | 85.8 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54 | -35.5 | 176.7 | -169.3 | -159.1 | 74.5 | -155.6 | 2.7 | 113.7 | V52 N53 A54 Q65 A68 K69 | V52-R56 PolarHBondContact O-N 2.71Å; N53-R56 PolarHBondContact OD1-NH1 2.67Å; N53-R56 PolarHBondContact OD1-NH2 2.93Å; A54-R56 VanDerWaalsContact C-N 3.34Å; A54-R56 PolarHBondContact O-N 3.06Å; R56-Q65 HydrophobicContact CG-CB 4.28Å; R56-Q65 HydrophobicContact CG-CG 4.36Å; R56-A68 HydrophobicContact CB-CB 3.93Å; R56-A68 HydrophobicContact CG-CB 4.19Å; R56-K69 HydrophobicContact CG-CG 4.37Å |
| 57 | K | 88.1 | Confident | 86.1 | Confident | 148 Ų | 148 | 60.7 Ų | 60.7 | 64% | 0.643 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -81.4 | -26.9 | -176.7 | -75.1 | -180 | 178.8 | -174.5 | 0 | 112.9 | N53 A54 V55 | N53-K57 WeakPolarHBondContact O-CG 3.35Å; N53-K57 PolarHBondContact O-N 3.16Å; A54-K57 PolarHBondContact O-N 3.42Å; A54-K57 VanDerWaalsContact O-N 3.08Å; V55-K57 PolarHBondContact O-N 3.28Å; V55-K57 VanDerWaalsContact O-N 3.13Å |
| 58 | Q | 83.4 | Confident | 86.4 | Confident | 95 Ų | 95 | 52.7 Ų | 52.7 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -101.5 | -20.6 | -175.4 | -66.8 | -173.3 | 2.8 | 0 | 0 | 113.2 | V18 A54 V55 | V18-Q58 VanDerWaalsContact CA-OE1 3.24Å; V18-Q58 VanDerWaalsContact CG1-CD 3.41Å; V18-Q58 VanDerWaalsContact CG1-NE2 3.28Å; V18-Q58 PolarHBondContact O-OE1 3.13Å; A54-Q58 PolarHBondContact O-N 3.43Å; V55-Q58 PolarHBondContact O-N 3.49Å; V55-Q58 VanDerWaalsContact O-N 3.13Å |
| 59 | S | 82.8 | Confident | 86.7 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | trans | -75.2 | 127.4 | 175 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | V55 D61 V64 Q65 | V55-S59 VanDerWaalsContact O-CB 3.3Å; V55-S59 WeakPolarHBondContact O-CB 3.48Å; V55-S59 PolarHBondContact O-N 2.76Å; V55-S59 PolarHBondContact O-OG 3.44Å; S59-D61 VanDerWaalsContact C-N 3.3Å; S59-V64 WeakPolarHBondContact OG-CG1 3.42Å; S59-Q65 PolarHBondContact O-NE2 3.42Å | ||
| 60 | S | 82.4 | Confident | 86.9 | Confident | 111 Ų | 111 | 60.4 Ų | 60.4 | 78% | 0.776 | 31% | 0.31 | S | S | * | . | trans | -81.2 | -10.4 | 170.1 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 61 | D | 83.7 | Confident | 87 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | trans | -80.1 | 119.9 | -177.9 | -53.8 | -47.6 | 0 | 0 | 0 | 112.1 | S59 E63 V64 Q65 | S59-D61 VanDerWaalsContact C-N 3.3Å; D61-E63 VanDerWaalsContact C-N 3.26Å; D61-E63 PolarHBondContact O-N 3.2Å; D61-V64 HydrophobicContact CB-CB 4.04Å; D61-V64 HydrophobicContact CB-CG2 3.67Å; D61-V64 PolarHBondContact O-N 3.31Å; D61-V64 VanDerWaalsContact O-N 3.16Å; D61-Q65 WeakPolarHBondContact O-CG 3.4Å; D61-Q65 PolarHBondContact O-N 2.91Å; D61-Q65 VanDerWaalsContact O-N 3.08Å | ||
| 62 | E | 85.9 | Confident | 87.2 | Confident | 131 Ų | 131 | 56.2 Ų | 56.2 | 61% | 0.612 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.8 | -34.6 | 179 | -74.5 | -66.6 | 142.6 | 0 | 0 | 112.6 | Q65 T66 | E62-Q65 PolarHBondContact O-N 3.09Å; E62-T66 WeakPolarHBondContact O-CB 3.18Å; E62-T66 VanDerWaalsContact O-CG2 3.23Å; E62-T66 WeakPolarHBondContact O-CG2 3.23Å; E62-T66 PolarHBondContact O-N 3.32Å; E62-T66 PolarHBondContact O-OG1 2.85Å |
| 63 | E | 85.2 | Confident | 87.1 | Confident | 115 Ų | 115 | 64 Ų | 64 | 54% | 0.537 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 176.4 | -65.4 | -166.1 | -174.9 | 0 | 0 | 112.6 | L27 D61 T66 L67 | L27-E63 HydrophobicContact CD1-CB 4.46Å; L27-E63 HydrophobicContact CD2-CB 3.92Å; D61-E63 VanDerWaalsContact C-N 3.26Å; D61-E63 PolarHBondContact O-N 3.2Å; E63-T66 WeakPolarHBondContact CA-OG1 3.25Å; E63-T66 PolarHBondContact O-OG1 3.34Å; E63-L67 WeakPolarHBondContact O-CB 3.25Å; E63-L67 WeakPolarHBondContact O-CG 3.3Å; E63-L67 PolarHBondContact O-N 3.23Å; E63-L67 VanDerWaalsContact O-N 3.09Å |
| 64 | V | 86.4 | Confident | 87 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 176.6 | 176 | 0 | 0 | 0 | 0 | 109.4 | A26 L27 L30 V55 S59 D61 T66 A68 | A26-V64 HydrophobicContact CB-CG1 4.39Å; L27-V64 HydrophobicContact CD1-CG2 4.27Å; L27-V64 HydrophobicContact CD2-CB 4.07Å; L27-V64 HydrophobicContact CD2-CG2 3.34Å; L27-V64 HydrophobicContact CG-CG2 3.41Å; L27-V64 VanDerWaalsContact CG-CG2 3.41Å; L30-V64 HydrophobicContact CD1-CG1 3.7Å; V55-V64 HydrophobicContact CG1-CG1 3.71Å; S59-V64 WeakPolarHBondContact OG-CG1 3.42Å; D61-V64 HydrophobicContact CB-CB 4.04Å; D61-V64 HydrophobicContact CB-CG2 3.67Å; D61-V64 PolarHBondContact O-N 3.31Å; D61-V64 VanDerWaalsContact O-N 3.16Å; V64-T66 PolarHBondContact O-N 3.4Å; V64-A68 VanDerWaalsContact O-CB 3.23Å; V64-A68 WeakPolarHBondContact O-CB 3.38Å; V64-A68 PolarHBondContact O-N 3.17Å |
| 65 | Q | 88.2 | Confident | 87 | Confident | 40 Ų | 40 | 63.7 Ų | 63.7 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | -178.5 | -67.7 | -169.3 | 17.2 | 0 | 0 | 112.6 | R56 S59 D61 E62 K69 | R56-Q65 HydrophobicContact CG-CB 4.28Å; R56-Q65 HydrophobicContact CG-CG 4.36Å; S59-Q65 PolarHBondContact O-NE2 3.42Å; D61-Q65 WeakPolarHBondContact O-CG 3.4Å; D61-Q65 PolarHBondContact O-N 2.91Å; D61-Q65 VanDerWaalsContact O-N 3.08Å; E62-Q65 PolarHBondContact O-N 3.09Å; Q65-K69 WeakPolarHBondContact O-CB 3.17Å; Q65-K69 WeakPolarHBondContact O-CD 3.3Å; Q65-K69 WeakPolarHBondContact O-CG 3.44Å; Q65-K69 PolarHBondContact O-N 3.49Å |
| 66 | T | 90.3 | Very high | 86.8 | Confident | 69 Ų | 69 | 69.6 Ų | 69.6 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.1 | -42.1 | -179.3 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | E62 E63 V64 K69 T70 | E62-T66 WeakPolarHBondContact O-CB 3.18Å; E62-T66 VanDerWaalsContact O-CG2 3.23Å; E62-T66 WeakPolarHBondContact O-CG2 3.23Å; E62-T66 PolarHBondContact O-N 3.32Å; E62-T66 PolarHBondContact O-OG1 2.85Å; E63-T66 WeakPolarHBondContact CA-OG1 3.25Å; E63-T66 PolarHBondContact O-OG1 3.34Å; V64-T66 PolarHBondContact O-N 3.4Å; T66-K69 PolarHBondContact O-N 3.37Å; T66-T70 WeakPolarHBondContact O-CB 3.44Å; T66-T70 PolarHBondContact O-N 2.88Å; T66-T70 PolarHBondContact O-OG1 3.39Å |
| 67 | L | 88.5 | Confident | 86.6 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 174 | -73.3 | 176.1 | 0 | 0 | 0 | 111.7 | L27 R31 E63 K69 T70 L71 | L27-L67 HydrophobicContact CD2-CD1 4.01Å; R31-L67 HydrophobicContact CG-CD1 4.3Å; E63-L67 WeakPolarHBondContact O-CB 3.25Å; E63-L67 WeakPolarHBondContact O-CG 3.3Å; E63-L67 PolarHBondContact O-N 3.23Å; E63-L67 VanDerWaalsContact O-N 3.09Å; L67-K69 PolarHBondContact O-N 3.05Å; L67-T70 PolarHBondContact O-N 3.07Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.27Å |
| 68 | A | 88.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L30 V52 R56 V64 T70 L71 I72 | L30-A68 HydrophobicContact CD1-CB 4.21Å; V52-A68 HydrophobicContact CG1-CB 3.75Å; R56-A68 HydrophobicContact CB-CB 3.93Å; R56-A68 HydrophobicContact CG-CB 4.19Å; V64-A68 VanDerWaalsContact O-CB 3.23Å; V64-A68 WeakPolarHBondContact O-CB 3.38Å; V64-A68 PolarHBondContact O-N 3.17Å; A68-T70 VanDerWaalsContact C-N 3.3Å; A68-T70 PolarHBondContact O-N 3.27Å; A68-L71 PolarHBondContact O-N 2.69Å; A68-I72 WeakPolarHBondContact O-CD1 3.45Å; A68-I72 VanDerWaalsContact O-CG1 3.22Å; A68-I72 WeakPolarHBondContact O-CG1 3.46Å; A68-I72 PolarHBondContact O-N 3.46Å |
| 69 | K | 90.1 | Very high | 85.5 | Confident | 99 Ų | 99 | 70 Ų | 70 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 175 | -75.2 | 166.8 | -171 | 165 | 0 | 111.7 | R56 Q65 T66 L67 K73 | R56-K69 HydrophobicContact CG-CG 4.37Å; Q65-K69 WeakPolarHBondContact O-CB 3.17Å; Q65-K69 WeakPolarHBondContact O-CD 3.3Å; Q65-K69 WeakPolarHBondContact O-CG 3.44Å; Q65-K69 PolarHBondContact O-N 3.49Å; T66-K69 PolarHBondContact O-N 3.37Å; L67-K69 PolarHBondContact O-N 3.05Å; K69-K73 WeakPolarHBondContact O-CB 3.48Å; K69-K73 PolarHBondContact O-N 3.14Å |
| 70 | T | 89.6 | Confident | 84.9 | Confident | 88 Ų | 88 | 75.8 Ų | 75.8 | 54% | 0.54 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | -179.7 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | T66 L67 A68 K73 S74 | T66-T70 WeakPolarHBondContact O-CB 3.44Å; T66-T70 PolarHBondContact O-N 2.88Å; T66-T70 PolarHBondContact O-OG1 3.39Å; L67-T70 PolarHBondContact O-N 3.07Å; A68-T70 VanDerWaalsContact C-N 3.3Å; A68-T70 PolarHBondContact O-N 3.27Å; T70-K73 PolarHBondContact O-N 2.95Å; T70-S74 PolarHBondContact O-N 2.7Å; T70-S74 PolarHBondContact O-OG 2.95Å |
| 71 | L | 87.2 | Confident | 83.8 | Confident | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.063 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.6 | -70.6 | 170.9 | 0 | 0 | 0 | 112.3 | L30 L33 K34 L67 A68 K73 S74 W75 | L30-L71 HydrophobicContact CB-CD1 4.39Å; L30-L71 HydrophobicContact CD2-CD1 4.02Å; L33-L71 HydrophobicContact CB-CD1 4.4Å; K34-L71 HydrophobicContact CB-CD2 3.91Å; K34-L71 HydrophobicContact CG-CD2 4.18Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.27Å; A68-L71 PolarHBondContact O-N 2.69Å; L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 PolarHBondContact O-N 3.19Å; L71-S74 PolarHBondContact O-N 3.36Å; L71-S74 PolarHBondContact O-OG 3.38Å; L71-W75 HydrophobicContact CB-CH2 4.18Å; L71-W75 HydrophobicContact CB-CZ2 4.09Å; L71-W75 HydrophobicContact CB-CZ3 4.44Å; L71-W75 HydrophobicContact CD2-CZ2 4.13Å; L71-W75 HydrophobicContact CG-CZ2 4.5Å; L71-W75 WeakPolarHBondContact O-CB 3.44Å; L71-W75 VanDerWaalsContact O-CD2 3.31Å; L71-W75 PolarHBondContact O-N 2.94Å |
| 72 | I | 88.6 | Confident | 82.2 | Confident | 24 Ų | 24 | 73.5 Ų | 73.5 | 12% | 0.123 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 177.1 | -66.4 | 163.4 | 0 | 0 | 0 | 110.7 | V52 N53 A68 K76 | V52-I72 HydrophobicContact CG1-CD1 4.3Å; V52-I72 HydrophobicContact CG1-CG1 4.2Å; N53-I72 HydrophobicContact CB-CD1 3.99Å; A68-I72 WeakPolarHBondContact O-CD1 3.45Å; A68-I72 VanDerWaalsContact O-CG1 3.22Å; A68-I72 WeakPolarHBondContact O-CG1 3.46Å; A68-I72 PolarHBondContact O-N 3.46Å; I72-K76 HydrophobicContact CG2-CD 4.26Å; I72-K76 WeakPolarHBondContact O-CB 3.19Å; I72-K76 VanDerWaalsContact O-CG 3.28Å; I72-K76 WeakPolarHBondContact O-CG 3.41Å; I72-K76 PolarHBondContact O-N 3.1Å |
| 73 | K | 88.8 | Confident | 80.1 | Confident | 163 Ų | 163 | 75.2 Ų | 75.2 | 71% | 0.709 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.6 | -42.5 | 178.3 | -173.5 | 179.2 | -78.9 | -178.8 | 0 | 112.1 | K69 T70 L71 W75 K76 K77 | K69-K73 WeakPolarHBondContact O-CB 3.48Å; K69-K73 PolarHBondContact O-N 3.14Å; T70-K73 PolarHBondContact O-N 2.95Å; L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 PolarHBondContact O-N 3.19Å; K73-W75 VanDerWaalsContact C-N 3.35Å; K73-K76 PolarHBondContact O-N 3.35Å; K73-K77 PolarHBondContact O-N 2.95Å; K73-K77 VanDerWaalsContact O-N 3.14Å |
| 74 | S | 85.6 | Confident | 77.8 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 177.7 | 63 | 0 | 0 | 0 | 0 | 111.9 | T70 L71 K77 L78 | T70-S74 PolarHBondContact O-N 2.7Å; T70-S74 PolarHBondContact O-OG 2.95Å; L71-S74 PolarHBondContact O-N 3.36Å; L71-S74 PolarHBondContact O-OG 3.38Å; S74-K77 PolarHBondContact O-N 3.06Å; S74-L78 PolarHBondContact O-N 3.1Å |
| 75 | W | 87.7 | Confident | 75.6 | Confident | 13 Ų | 13 | 83 Ų | 83 | 5% | 0.049 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -70.9 | -36.8 | 176.8 | -63.4 | -19.9 | 0 | 0 | 0 | 113.7 | M38 L43 V48 V52 L71 K73 K77 L78 L79 | M38-W75 HydrophobicContact CG-CZ2 4.2Å; M38-W75 HydrophobicContact SD-CD2 4.15Å; M38-W75 HydrophobicContact SD-CH2 3.89Å; M38-W75 HydrophobicContact SD-CZ2 3.12Å; M38-W75 WeakPolarHBondContact SD-CZ2 3.34Å; M38-W75 PolarHBondContact SD-NE1 2.63Å; M38-W75 VanDerWaalsContact SD-NE1 3.38Å; L43-W75 HydrophobicContact CD1-CB 3.49Å; L43-W75 VanDerWaalsContact CD1-CB 3.49Å; L43-W75 HydrophobicContact CD1-CD2 3.47Å; L43-W75 VanDerWaalsContact CD1-CD2 3.47Å; L43-W75 HydrophobicContact CD1-CE3 3.7Å; L43-W75 HydrophobicContact CD1-CG 3.37Å; V48-W75 HydrophobicContact CG1-CH2 4.11Å; V48-W75 HydrophobicContact CG1-CZ3 4.02Å; V48-W75 HydrophobicContact CG2-CH2 4.26Å; V52-W75 HydrophobicContact CB-CZ3 4.23Å; V52-W75 HydrophobicContact CG1-CZ3 4.5Å; V52-W75 HydrophobicContact CG2-CH2 3.95Å; V52-W75 HydrophobicContact CG2-CZ3 3.98Å; L71-W75 HydrophobicContact CB-CH2 4.18Å; L71-W75 HydrophobicContact CB-CZ2 4.09Å; L71-W75 HydrophobicContact CB-CZ3 4.44Å; L71-W75 HydrophobicContact CD2-CZ2 4.13Å; L71-W75 HydrophobicContact CG-CZ2 4.5Å; L71-W75 WeakPolarHBondContact O-CB 3.44Å; L71-W75 VanDerWaalsContact O-CD2 3.31Å; L71-W75 PolarHBondContact O-N 2.94Å; K73-W75 VanDerWaalsContact C-N 3.35Å; W75-K77 VanDerWaalsContact C-N 3.33Å; W75-K77 PolarHBondContact O-N 3.06Å; W75-L78 PolarHBondContact O-N 3.32Å; W75-L79 PolarHBondContact O-N 2.98Å |
| 76 | K | 84.2 | Confident | 73.2 | Confident | 126 Ų | 126 | 86.9 Ų | 86.9 | 55% | 0.548 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 171.6 | -79.1 | -178.8 | 174.8 | -164 | 0 | 111.9 | I72 K73 L78 L79 D80 | I72-K76 HydrophobicContact CG2-CD 4.26Å; I72-K76 WeakPolarHBondContact O-CB 3.19Å; I72-K76 VanDerWaalsContact O-CG 3.28Å; I72-K76 WeakPolarHBondContact O-CG 3.41Å; I72-K76 PolarHBondContact O-N 3.1Å; K73-K76 PolarHBondContact O-N 3.35Å; K76-L78 PolarHBondContact O-N 3.33Å; K76-L79 WeakPolarHBondContact O-CB 3.4Å; K76-L79 PolarHBondContact O-N 3.26Å; K76-D80 PolarHBondContact O-N 3.45Å |
| 77 | K | 83.3 | Confident | 70.5 | Confident | 167 Ų | 167 | 90.5 Ų | 90.5 | 73% | 0.726 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.1 | -30.3 | 176.4 | -169.5 | 174.6 | -178.3 | 177.6 | 0 | 113 | K73 S74 W75 G81 | K73-K77 PolarHBondContact O-N 2.95Å; K73-K77 VanDerWaalsContact O-N 3.14Å; S74-K77 PolarHBondContact O-N 3.06Å; W75-K77 VanDerWaalsContact C-N 3.33Å; W75-K77 PolarHBondContact O-N 3.06Å; K77-G81 PolarHBondContact O-N 2.86Å |
| 78 | L | 76.8 | Confident | 67.9 | Low | 92 Ų | 92 | 97.2 Ų | 97.2 | 48% | 0.482 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.9 | -23.6 | 174.8 | -66.6 | 173.8 | 0 | 0 | 0 | 113.2 | S74 W75 K76 | S74-L78 PolarHBondContact O-N 3.1Å; W75-L78 PolarHBondContact O-N 3.32Å; K76-L78 PolarHBondContact O-N 3.33Å |
| 79 | L | 72.1 | Confident | 65.1 | Low | 62 Ų | 62 | 106.1 Ų | 106.1 | 33% | 0.325 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -81.5 | -43.2 | 173.1 | -70.8 | 166.6 | 0 | 0 | 0 | 111.2 | L40 L43 W75 K76 G81 A82 | L40-L79 HydrophobicContact CD1-CD2 3.99Å; L40-L79 HydrophobicContact CG-CD2 4.02Å; L43-L79 HydrophobicContact CD2-CD1 3.73Å; L43-L79 HydrophobicContact CD2-CD2 4.41Å; L43-L79 HydrophobicContact CD2-CG 4.22Å; W75-L79 PolarHBondContact O-N 2.98Å; K76-L79 WeakPolarHBondContact O-CB 3.4Å; K76-L79 PolarHBondContact O-N 3.26Å; L79-G81 PolarHBondContact O-N 3.33Å; L79-A82 PolarHBondContact O-N 3.05Å |
| 80 | D | 70.3 | Confident | 62.3 | Low | 125 Ų | 125 | 109.8 Ų | 109.8 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71.1 | -17.4 | 179.8 | -64.9 | -27.1 | 0 | 0 | 0 | 112.9 | K76 | K76-D80 PolarHBondContact O-N 3.45Å |
| 81 | G | 58.1 | Low | 59.3 | Low | 64 Ų | 64 | 115.7 Ų | 115.7 | 66% | 0.66 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -9.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K77 L79 | K77-G81 PolarHBondContact O-N 2.86Å; L79-G81 PolarHBondContact O-N 3.33Å |
| 82 | A | 51.3 | Low | 56.5 | Low | 68 Ų | 68 | 123.1 Ų | 123.1 | 56% | 0.562 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -89.7 | -14.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L40 L79 | L40-A82 HydrophobicContact CD1-CB 3.84Å; L79-A82 PolarHBondContact O-N 3.05Å |
| 83 | E | 41.1 | Very low | 53.5 | Low | 168 Ų | 168 | 125.7 Ų | 125.7 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -104.6 | 100.4 | 173 | -56.6 | -108.7 | 117.9 | 0 | 0 | 107 | ||
| 84 | G | 36.8 | Very low | 50.7 | Low | 74 Ų | 74 | 122.9 Ų | 122.9 | 76% | 0.763 | 67% | 0.668 | S | S | * | * | trans | -55.6 | 144.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 85 | K | 39.5 | Very low | 48 | Very low | 203 Ų | 203 | 127.5 Ų | 127.5 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | 179.5 | 179.4 | 57 | -119.1 | -179.8 | -175.9 | 178 | 0 | 109.7 | |||||
| 86 | P | 39.1 | Very low | 45 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | -87.8 | 166.5 | -101.4 | 36.6 | -16.8 | 0 | 0 | 0 | 116.6 | |||||
| 87 | D | 34 | Very low | 42.4 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | -73.4 | 138.5 | 170.7 | -153.7 | -64.3 | 0 | 0 | 0 | 111.4 | ||||
| 88 | E | 33.7 | Very low | 39.7 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | trans | 179.5 | 93.2 | 146.6 | -99.7 | -87.5 | 126 | 0 | 0 | 110.1 | ||||
| 89 | K | 29.8 | Very low | 37.4 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | 177.1 | 103 | 116.7 | -101.2 | 180 | -179.9 | 172.7 | 0 | 112.1 | |||||
| 90 | K | 32.1 | Very low | 35.3 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -54.8 | 126.2 | 155.6 | -168.8 | 178.4 | -174.9 | -178.2 | 0 | 110.6 | ||||
| 91 | K | 26.2 | Very low | 33.2 | Very low | 212 Ų | 212 | 139.2 Ų | 139.2 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | trans | -144.3 | 108.9 | 139.3 | -136.8 | -179.7 | -175.1 | -176.7 | 0 | 110.1 | ||||
| 92 | E | 27.7 | Very low | 31.7 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -76.2 | 140.9 | 171.3 | -161.7 | 167.1 | -174.8 | 0 | 0 | 108.5 | ||||
| 93 | G | 25.6 | Very low | 30.6 | Very low | 79 Ų | 79 | 151.6 Ų | 151.6 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -170.8 | 94.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 94 | S | 29.4 | Very low | 29.7 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -67 | 149.6 | -166 | -156 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 95 | L | 28.5 | Very low | 29.2 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 80% | 0.801 | 81% | 0.805 | S | S | * | * | trans | 32.8 | 121 | 139.2 | -67.5 | 164.9 | 0 | 0 | 0 | 120.2 | ||||
| 96 | V | 26.2 | Very low | 28.4 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | -148.5 | 132.1 | 117 | -157.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 97 | R | 29.3 | Very low | 27.8 | Very low | 217 Ų | 217 | 145.1 Ų | 145.1 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | trans | -72.6 | 142.7 | 169.7 | 171.4 | -177.7 | -175.2 | 169 | 0.9 | 110.5 | ||||
| 98 | S | 26.5 | Very low | 27.3 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | -179.8 | 130.8 | 124.3 | -79 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 99 | S | 28.8 | Very low | 26.9 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -75.5 | 140.9 | 160.3 | 48.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 100 | S | 27.5 | Very low | 26.8 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -170.2 | 130.5 | 132.2 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 101 | T | 26.6 | Very low | 26.5 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -50.4 | 145.6 | 156.2 | 30.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 102 | F | 26.9 | Very low | 26.5 | Very low | 190 Ų | 190 | 132.1 Ų | 132.1 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | -177.8 | 121 | 129.1 | -83 | -66.1 | 0 | 0 | 0 | 106.6 | |||||
| 103 | K | 27.2 | Very low | 26.4 | Very low | 202 Ų | 202 | 131.6 Ų | 131.6 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | 39.7 | 134.6 | 96.6 | -75.6 | -170 | 177.2 | -173.7 | 0 | 112.9 | |||||
| 104 | D | 22.5 | Very low | 26.5 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | cis | -176.7 | 167.1 | 10.2 | 167.9 | 48.8 | 0 | 0 | 0 | 107.1 | ||||
| 105 | S | 26.5 | Very low | 26.3 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 70.5 | 136.3 | 161.4 | -70.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 106 | G | 22.8 | Very low | 26.4 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | 130.4 | 122 | 12.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 107 | S | 26.5 | Very low | 26.4 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | 80.7 | 157.1 | 155.8 | -161.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 108 | T | 23.7 | Very low | 26.2 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | -163.5 | 155.3 | -52.3 | -44.4 | 0 | 0 | 0 | 0 | 105.5 | |||||
| 109 | E | 25.3 | Very low | 26.9 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 73.2 | 149.8 | 154.5 | -53.1 | -135.8 | 150.9 | 0 | 0 | 118.8 | ||||
| 110 | K | 26.3 | Very low | 26.6 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 73% | 0.726 | 77% | 0.769 | S | S | * | * | cis | -170.4 | 165.8 | 11.1 | -142.9 | 178.2 | 175.3 | 159.7 | 0 | 112 | ||||
| 111 | S | 26.2 | Very low | 26.6 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | trans | 85.3 | 112.3 | 141.7 | -70.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 112 | S | 26.7 | Very low | 27.3 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 89.4 | 140.6 | 95.3 | -73.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 113 | E | 26.4 | Very low | 27.5 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | cis | -171.6 | 160.2 | 8.6 | -116.1 | -177.8 | -165.9 | 0 | 0 | 109.9 | ||||
| 114 | K | 25.8 | Very low | 28 | Very low | 192 Ų | 192 | 128.9 Ų | 128.9 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | 64.6 | 146.9 | 156.1 | -85.4 | 170.3 | 175.7 | 168.7 | 0 | 119.7 | ||||
| 115 | S | 25.1 | Very low | 29 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | cis | -162.3 | 166 | 24.9 | 31.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 116 | V | 30.8 | Very low | 29.5 | Very low | 135 Ų | 135 | 130 Ų | 130 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -79.8 | 148.2 | -178.2 | 171.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 117 | E | 26.8 | Very low | 30.3 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | 175.6 | 141.4 | 131.9 | -96.1 | 177.1 | -168.5 | 0 | 0 | 114 | ||||
| 118 | T | 25 | Very low | 30.8 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | -99.3 | 179.4 | 163 | 47.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 119 | P | 40.8 | Very low | 31.7 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | cis | -138.1 | -165.4 | 7 | 36.1 | -12.4 | 0 | 0 | 0 | 114.9 | ||||
| 120 | T | 23.8 | Very low | 32.4 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 125.7 | 115.9 | 146.7 | -22.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 121 | T | 26.1 | Very low | 32.9 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -78.6 | 168.4 | 167.1 | -5.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 122 | P | 43.2 | Very low | 34.2 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | -151.8 | 172.7 | 56.4 | 37.4 | -14.1 | 0 | 0 | 0 | 118.7 | |||||
| 123 | T | 29.2 | Very low | 35.6 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | 116.9 | 116.7 | 148.7 | -42.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 124 | V | 38.9 | Very low | 36.9 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | trans | -101.1 | 169.2 | -179.1 | -141 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 125 | P | 43.7 | Very low | 38.5 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | -144.7 | 137.8 | 69.1 | 28.1 | -4.1 | 0 | 0 | 0 | 118.3 | |||||
| 126 | H | 36.6 | Very low | 40.1 | Very low | 149 Ų | 149 | 126.6 Ų | 126.6 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | trans | 57.5 | 105.5 | 138 | -66.9 | -73.9 | 0 | 0 | 0 | 122.2 | ||||
| 127 | R | 39.2 | Very low | 41.8 | Very low | 238 Ų | 238 | 121 Ų | 121 | 90% | 0.898 | 68% | 0.678 | S | S | * | * | -127.2 | 129.1 | 129.7 | -90.8 | -177.1 | 177.1 | 162.8 | -0 | 108.4 | T129 | R127-T129 PolarHBondContact O-N 3.07Å; R127-T129 VanDerWaalsContact O-N 3.15Å | |||
| 128 | F | 37.9 | Very low | 43.8 | Very low | 201 Ų | 201 | 118.9 Ų | 118.9 | 88% | 0.882 | 68% | 0.678 | S | S | * | * | trans | -55.3 | 114.4 | -178.2 | -74.1 | -94.6 | 0 | 0 | 0 | 110.8 | ||||
| 129 | T | 41.3 | Very low | 46.5 | Very low | 104 Ų | 104 | 115.2 Ų | 115.2 | 64% | 0.638 | 65% | 0.654 | S | S | * | * | trans | -102.1 | 111.3 | 169.9 | 72.6 | 0 | 0 | 0 | 0 | 107.3 | R127 F131 | R127-T129 PolarHBondContact O-N 3.07Å; R127-T129 VanDerWaalsContact O-N 3.15Å; T129-F131 PolarHBondContact O-N 3.48Å | ||
| 130 | S | 40.1 | Very low | 48.5 | Very low | 93 Ų | 93 | 116.5 Ų | 116.5 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 119.9 | 160.9 | 42 | 0 | 0 | 0 | 0 | 107.8 | ||
| 131 | F | 37.1 | Very low | 51.5 | Low | 168 Ų | 168 | 112.8 Ų | 112.8 | 74% | 0.737 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -90.8 | 139.8 | 170.7 | -106.6 | -102.9 | 0 | 0 | 0 | 108.7 | T129 P133 | T129-F131 PolarHBondContact O-N 3.48Å; F131-P133 HydrophobicContact CE1-CG 4.21Å; F131-P133 HydrophobicContact CZ-CG 4.37Å |
| 132 | P | 54.8 | Low | 54.5 | Low | 86 Ų | 86 | 107.9 Ų | 107.9 | 56% | 0.558 | 60% | 0.598 | S | S | * | * | S | Bend | cis | -87.7 | 155.1 | 10.1 | 0.8 | 18.1 | 0 | 0 | 0 | 114.1 | H168 | P132-H168 PolarHBondContact O-CE1 3.16Š|
| 133 | P | 54.8 | Low | 56.7 | Low | 88 Ų | 88 | 105 Ų | 105 | 57% | 0.571 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -64 | 139 | 177.1 | -15 | 28.7 | 0 | 0 | 0 | 111.5 | F131 | F131-P133 HydrophobicContact CE1-CG 4.21Å; F131-P133 HydrophobicContact CZ-CG 4.37Å |
| 134 | A | 53.3 | Low | 59.7 | Low | 45 Ų | 45 | 105.2 Ų | 105.2 | 37% | 0.372 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 128.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V136 H168 A171 | A134-V136 PolarHBondContact O-N 3.31Å; A134-H168 WeakPolarHBondContact CA-ND1 3.34Å; A134-A171 HydrophobicContact CB-CB 4.36Å |
| 135 | P | 59.8 | Low | 62.2 | Low | 41 Ų | 41 | 99.8 Ų | 99.8 | 27% | 0.266 | 54% | 0.536 | S | S | . | . | trans | -63.9 | 107.7 | -179.1 | 21.6 | -29.9 | 0 | 0 | 0 | 109.1 | T137 R146 A171 E175 | P135-T137 PolarHBondContact O-N 2.97Å; P135-R146 PolarHBondContact O-NH1 3.19Å; P135-R146 PolarHBondContact O-NH2 3.38Å; P135-A171 HydrophobicContact CG-CB 4.33Å; P135-E175 HydrophobicContact CB-CG 4.26Å; P135-E175 HydrophobicContact CG-CB 3.93Å; P135-E175 HydrophobicContact CG-CG 4.05Å | ||
| 136 | V | 60.1 | Low | 64.5 | Low | 137 Ų | 137 | 95.7 Ų | 95.7 | 83% | 0.83 | 51% | 0.506 | S | S | * | . | trans | -73.9 | 127 | -177.4 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | A134 | A134-V136 PolarHBondContact O-N 3.31Š| ||
| 137 | T | 66.6 | Low | 67.2 | Low | 19 Ų | 19 | 94.3 Ų | 94.3 | 12% | 0.117 | 50% | 0.499 | C | S | . | . | trans | -110.1 | 145.4 | 178.6 | 54.7 | 0 | 0 | 0 | 0 | 111 | P135 R142 R146 | P135-T137 PolarHBondContact O-N 2.97Å; T137-R142 HydrophobicContact CG2-CB 4.42Å; T137-R142 VanDerWaalsContact CG2-NH2 3.26Å; T137-R146 PolarHBondContact OG1-NH1 3.31Å | ||
| 138 | T | 68.5 | Low | 69.7 | Low | 143 Ų | 143 | 87.1 Ų | 87.1 | 88% | 0.877 | 48% | 0.478 | S | S | * | . | trans | -101.9 | -7.8 | -179.4 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 139 | D | 80.2 | Confident | 72.3 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 28% | 0.278 | 44% | 0.436 | S | S | . | . | trans | -86.6 | 121 | 179.8 | -177.9 | -10.5 | 0 | 0 | 0 | 110.8 | V141 R142 T143 T184 | D139-V141 PolarHBondContact O-N 2.99Å; D139-V141 VanDerWaalsContact O-N 3.16Å; D139-V141 WeakPolarHBondContact OD1-CB 3.46Å; D139-V141 PolarHBondContact OD1-N 2.96Å; D139-R142 HydrophobicContact CB-CB 4.04Å; D139-R142 HydrophobicContact CB-CG 3.77Å; D139-R142 WeakPolarHBondContact O-CA 3.2Å; D139-R142 WeakPolarHBondContact O-CB 3.48Å; D139-R142 PolarHBondContact O-N 2.6Å; D139-T143 PolarHBondContact O-N 3.49Å; D139-T143 PolarHBondContact O-OG1 3.3Å; D139-T184 PolarHBondContact OD2-OG1 2.9Å | ||
| 140 | N | 83.7 | Confident | 74.8 | Confident | 141 Ų | 141 | 73.5 Ų | 73.5 | 75% | 0.754 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -53.9 | -33.5 | 177.5 | -77.1 | -34 | 0 | 0 | 0 | 113.4 | K144 | N140-K144 WeakPolarHBondContact O-CB 3.29Å; N140-K144 PolarHBondContact O-N 3.49Å; N140-K144 VanDerWaalsContact O-N 3.1Å |
| 141 | V | 86.6 | Confident | 77.3 | Confident | 57 Ų | 57 | 71.7 Ų | 71.7 | 35% | 0.345 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.6 | -38.7 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | D139 S145 T184 | D139-V141 PolarHBondContact O-N 2.99Å; D139-V141 VanDerWaalsContact O-N 3.16Å; D139-V141 WeakPolarHBondContact OD1-CB 3.46Å; D139-V141 PolarHBondContact OD1-N 2.96Å; V141-S145 WeakPolarHBondContact O-CB 3.4Å; V141-S145 PolarHBondContact O-N 2.77Å; V141-S145 PolarHBondContact O-OG 3.35Å; V141-S145 VanDerWaalsContact O-OG 3.1Å; V141-T184 HydrophobicContact CB-CG2 3.72Å; V141-T184 HydrophobicContact CG1-CG2 3.47Å; V141-T184 VanDerWaalsContact CG1-CG2 3.47Å; V141-T184 HydrophobicContact CG2-CG2 4.18Å |
| 142 | R | 89.4 | Confident | 79.9 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 9% | 0.094 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68 | -43 | 178.1 | -64.7 | -174 | 67.1 | -167.1 | -5.9 | 111.3 | T137 D139 S145 R146 E174 E175 F178 | T137-R142 HydrophobicContact CG2-CB 4.42Å; T137-R142 VanDerWaalsContact CG2-NH2 3.26Å; D139-R142 HydrophobicContact CB-CB 4.04Å; D139-R142 HydrophobicContact CB-CG 3.77Å; D139-R142 WeakPolarHBondContact O-CA 3.2Å; D139-R142 WeakPolarHBondContact O-CB 3.48Å; D139-R142 PolarHBondContact O-N 2.6Å; R142-S145 VanDerWaalsContact C-OG 3.23Å; R142-S145 WeakPolarHBondContact CA-OG 3.31Å; R142-S145 PolarHBondContact O-N 2.62Å; R142-S145 PolarHBondContact O-OG 3.42Å; R142-R146 WeakPolarHBondContact O-CG 3.45Å; R142-R146 PolarHBondContact O-N 3.15Å; R142-E174 WeakPolarHBondContact CB-OE1 3.29Å; R142-E174 WeakPolarHBondContact CG-OE1 3.3Å; R142-E174 IonicContact CZ-OE1 2.71Å; R142-E174 IonicContact CZ-OE2 2.93Å; R142-E174 IonicContact NE-OE1 3.41Å; R142-E174 PolarHBondContact NE-OE1 3.47Å; R142-E174 IonicContact NE-OE2 2.96Å; R142-E174 IonicContact NH2-OE1 2.63Å; R142-E174 PolarHBondContact NH2-OE1 3.08Å; R142-E174 IonicContact NH2-OE2 2.91Å; R142-E174 PolarHBondContact NH2-OE2 2.97Å; R142-E175 IonicContact CZ-OE2 3.72Å; R142-E175 IonicContact NH1-OE2 2.69Å; R142-E175 IonicContact NH2-OE2 3.39Å; R142-E175 PolarHBondContact NH2-OE2 2.83Å; R142-F178 VanDerWaalsContact CZ-CG 3.48Å |
| 143 | T | 89.9 | Confident | 81.5 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 174.8 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | D139 S145 R146 E147 | D139-T143 PolarHBondContact O-N 3.49Å; D139-T143 PolarHBondContact O-OG1 3.3Å; T143-S145 VanDerWaalsContact C-N 3.29Å; T143-S145 PolarHBondContact O-N 3.07Å; T143-R146 WeakPolarHBondContact O-CB 3.33Å; T143-R146 PolarHBondContact O-N 2.92Å; T143-R146 VanDerWaalsContact O-N 3.1Å; T143-E147 PolarHBondContact O-N 3.14Å |
| 144 | K | 91 | Very high | 83.1 | Confident | 136 Ų | 136 | 59.2 Ų | 59.2 | 59% | 0.591 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.8 | -33.8 | 177.6 | -166.5 | 163.8 | -170.2 | 162.1 | 0 | 112.9 | N140 R146 L148 | N140-K144 WeakPolarHBondContact O-CB 3.29Å; N140-K144 PolarHBondContact O-N 3.49Å; N140-K144 VanDerWaalsContact O-N 3.1Å; K144-R146 VanDerWaalsContact C-N 3.33Å; K144-L148 VanDerWaalsContact O-CG 3.3Å; K144-L148 WeakPolarHBondContact O-CG 3.35Å; K144-L148 PolarHBondContact O-N 3.08Å; K144-L148 VanDerWaalsContact O-N 3.13Å |
| 145 | S | 91.2 | Very high | 84.5 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.028 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 174.1 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | V141 R142 T143 L148 L149 Y188 | V141-S145 WeakPolarHBondContact O-CB 3.4Å; V141-S145 PolarHBondContact O-N 2.77Å; V141-S145 PolarHBondContact O-OG 3.35Å; V141-S145 VanDerWaalsContact O-OG 3.1Å; R142-S145 VanDerWaalsContact C-OG 3.23Å; R142-S145 WeakPolarHBondContact CA-OG 3.31Å; R142-S145 PolarHBondContact O-N 2.62Å; R142-S145 PolarHBondContact O-OG 3.42Å; T143-S145 VanDerWaalsContact C-N 3.29Å; T143-S145 PolarHBondContact O-N 3.07Å; S145-L148 PolarHBondContact O-N 3.19Å; S145-L149 WeakPolarHBondContact O-CG 3.44Å; S145-L149 PolarHBondContact O-N 3.09Å; S145-Y188 PolarHBondContact OG-OH 2.87Å |
| 146 | R | 92.6 | Very high | 85.3 | Confident | 30 Ų | 30 | 59 Ų | 59 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.1 | -44.9 | 176.1 | -68.8 | 163.7 | 174.7 | -150.5 | -15 | 111.2 | P135 T137 R142 T143 K144 L148 L149 V150 E174 E175 | P135-R146 PolarHBondContact O-NH1 3.19Å; P135-R146 PolarHBondContact O-NH2 3.38Å; T137-R146 PolarHBondContact OG1-NH1 3.31Å; R142-R146 WeakPolarHBondContact O-CG 3.45Å; R142-R146 PolarHBondContact O-N 3.15Å; T143-R146 WeakPolarHBondContact O-CB 3.33Å; T143-R146 PolarHBondContact O-N 2.92Å; T143-R146 VanDerWaalsContact O-N 3.1Å; K144-R146 VanDerWaalsContact C-N 3.33Å; R146-L148 VanDerWaalsContact C-N 3.27Å; R146-L148 PolarHBondContact O-N 3.26Å; R146-L149 WeakPolarHBondContact O-CB 3.42Å; R146-L149 PolarHBondContact O-N 3.3Å; R146-L149 VanDerWaalsContact O-N 3.07Å; R146-V150 WeakPolarHBondContact O-CG2 3.48Å; R146-V150 PolarHBondContact O-N 2.92Å; R146-E174 HydrophobicContact CG-CB 3.83Å; R146-E174 HydrophobicContact CG-CG 3.84Å; R146-E174 IonicContact CZ-OE2 2.77Å; R146-E174 VanDerWaalsContact CZ-OE2 3.27Å; R146-E174 IonicContact NE-OE2 2.99Å; R146-E174 PolarHBondContact NE-OE2 3.4Å; R146-E174 IonicContact NH2-OE2 3.93Å; R146-E174 PolarHBondContact NH2-OE2 3.04Å; R146-E175 IonicContact NH2-OE2 3.68Å |
| 147 | E | 93.1 | Very high | 86.2 | Confident | 120 Ų | 120 | 56.5 Ų | 56.5 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -54.9 | -44.1 | 174 | -69.6 | 172.1 | -179.4 | 0 | 0 | 111.9 | T143 L149 V150 A151 | T143-E147 PolarHBondContact O-N 3.14Å; E147-L149 PolarHBondContact O-N 3.3Å; E147-V150 PolarHBondContact O-N 3.5Å; E147-A151 PolarHBondContact O-N 2.88Å |
| 148 | L | 92.8 | Very high | 86.7 | Confident | 86 Ų | 86 | 56.5 Ų | 56.5 | 45% | 0.45 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -33.6 | 177.9 | -68.6 | 173.2 | 0 | 0 | 0 | 113.1 | K144 S145 R146 A152 I196 | K144-L148 VanDerWaalsContact O-CG 3.3Å; K144-L148 WeakPolarHBondContact O-CG 3.35Å; K144-L148 PolarHBondContact O-N 3.08Å; K144-L148 VanDerWaalsContact O-N 3.13Å; S145-L148 PolarHBondContact O-N 3.19Å; R146-L148 VanDerWaalsContact C-N 3.27Å; R146-L148 PolarHBondContact O-N 3.26Å; L148-A152 PolarHBondContact O-N 2.97Å; L148-A152 VanDerWaalsContact O-N 3.16Å; L148-I196 HydrophobicContact CB-CD1 3.72Å; L148-I196 HydrophobicContact CD1-CD1 4.45Å |
| 149 | L | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 173 | -79.3 | 169.3 | 0 | 0 | 0 | 111.4 | S145 R146 E147 A151 A152 L153 A170 I173 E174 L192 R195 I196 L199 | S145-L149 WeakPolarHBondContact O-CG 3.44Å; S145-L149 PolarHBondContact O-N 3.09Å; R146-L149 WeakPolarHBondContact O-CB 3.42Å; R146-L149 PolarHBondContact O-N 3.3Å; R146-L149 VanDerWaalsContact O-N 3.07Å; E147-L149 PolarHBondContact O-N 3.3Å; L149-A151 PolarHBondContact O-N 3.5Å; L149-A152 WeakPolarHBondContact O-CB 3.5Å; L149-A152 PolarHBondContact O-N 3.49Å; L149-A152 VanDerWaalsContact O-N 3.16Å; L149-L153 WeakPolarHBondContact O-CG 3.37Å; L149-L153 PolarHBondContact O-N 3.39Å; L149-A170 HydrophobicContact CB-CB 3.75Å; L149-I173 HydrophobicContact CD1-CG2 4.33Å; L149-E174 HydrophobicContact CD1-CB 3.97Å; L149-L192 HydrophobicContact CD1-CD1 3.67Å; L149-L192 HydrophobicContact CG-CD1 4.07Å; L149-R195 HydrophobicContact CD2-CB 4.29Å; L149-I196 HydrophobicContact CD2-CG1 3.8Å; L149-I196 HydrophobicContact CG-CG1 4.19Å; L149-L199 HydrophobicContact CD2-CD1 4.26Å |
| 150 | V | 92.9 | Very high | 87 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 174.9 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | R146 E147 A152 L153 Q154 C166 E167 A170 | R146-V150 WeakPolarHBondContact O-CG2 3.48Å; R146-V150 PolarHBondContact O-N 2.92Å; E147-V150 PolarHBondContact O-N 3.5Å; V150-A152 PolarHBondContact O-N 3.42Å; V150-L153 PolarHBondContact O-N 2.92Å; V150-L153 VanDerWaalsContact O-N 3.15Å; V150-Q154 HydrophobicContact CG1-CG 4.24Å; V150-Q154 WeakPolarHBondContact O-CB 3.45Å; V150-Q154 VanDerWaalsContact O-CG 3.32Å; V150-Q154 WeakPolarHBondContact O-CG 3.46Å; V150-Q154 PolarHBondContact O-N 2.68Å; V150-C166 HydrophobicContact CG1-CB 4.37Å; V150-E167 HydrophobicContact CG1-CG 4.43Å; V150-E167 HydrophobicContact CG2-CB 4.46Å; V150-E167 HydrophobicContact CG2-CG 4.16Å; V150-A170 HydrophobicContact CG2-CB 3.54Å |
| 151 | A | 91.9 | Very high | 86.6 | Confident | 55 Ų | 55 | 53 Ų | 53 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.5 | -35.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E147 L149 T155 | E147-A151 PolarHBondContact O-N 2.88Å; L149-A151 PolarHBondContact O-N 3.5Å; A151-T155 PolarHBondContact O-N 2.96Å; A151-T155 PolarHBondContact O-OG1 3.25Å; A151-T155 VanDerWaalsContact O-OG1 3.08Å |
| 152 | A | 91.6 | Very high | 86.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.6 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L148 L149 V150 Q154 T155 I196 L199 K200 | L148-A152 PolarHBondContact O-N 2.97Å; L148-A152 VanDerWaalsContact O-N 3.16Å; L149-A152 WeakPolarHBondContact O-CB 3.5Å; L149-A152 PolarHBondContact O-N 3.49Å; L149-A152 VanDerWaalsContact O-N 3.16Å; V150-A152 PolarHBondContact O-N 3.42Å; A152-Q154 VanDerWaalsContact C-N 3.31Å; A152-Q154 PolarHBondContact O-N 2.88Å; A152-T155 VanDerWaalsContact O-CB 3.28Å; A152-T155 WeakPolarHBondContact O-CB 3.3Å; A152-T155 PolarHBondContact O-N 3.22Å; A152-T155 PolarHBondContact O-OG1 3Å; A152-T155 VanDerWaalsContact O-OG1 3.13Å; A152-I196 HydrophobicContact CB-CG2 4.16Å; A152-L199 HydrophobicContact CB-CB 4.01Å; A152-K200 HydrophobicContact CB-CB 4.49Å |
| 153 | L | 88.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68 | -31.2 | 177 | -70.9 | 171.8 | 0 | 0 | 0 | 112.6 | L149 V150 T155 C166 L169 A170 L199 V211 L212 | L149-L153 WeakPolarHBondContact O-CG 3.37Å; L149-L153 PolarHBondContact O-N 3.39Å; V150-L153 PolarHBondContact O-N 2.92Å; V150-L153 VanDerWaalsContact O-N 3.15Å; L153-T155 PolarHBondContact O-N 2.93Å; L153-C166 HydrophobicContact CB-CB 4.4Å; L153-L169 HydrophobicContact CD1-CB 4.38Å; L153-L169 HydrophobicContact CD1-CD2 4.18Å; L153-L169 HydrophobicContact CD1-CG 4.25Å; L153-L169 HydrophobicContact CD2-CD2 4.48Å; L153-A170 HydrophobicContact CD1-CB 4.19Å; L153-L199 HydrophobicContact CD2-CD1 3.96Å; L153-L199 HydrophobicContact CD2-CD2 4.06Å; L153-L199 HydrophobicContact CG-CD1 4.35Å; L153-V211 HydrophobicContact CD2-CG1 4.16Å; L153-L212 HydrophobicContact CD2-CD2 4.45Å |
| 154 | Q | 89 | Confident | 85.1 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -5.4 | 176.9 | -70.8 | 176 | -10 | 0 | 0 | 113.8 | V150 A152 G156 D157 F159 C166 | V150-Q154 HydrophobicContact CG1-CG 4.24Å; V150-Q154 WeakPolarHBondContact O-CB 3.45Å; V150-Q154 VanDerWaalsContact O-CG 3.32Å; V150-Q154 WeakPolarHBondContact O-CG 3.46Å; V150-Q154 PolarHBondContact O-N 2.68Å; A152-Q154 VanDerWaalsContact C-N 3.31Å; A152-Q154 PolarHBondContact O-N 2.88Å; Q154-G156 PolarHBondContact O-N 3.41Å; Q154-D157 PolarHBondContact O-N 2.82Å; Q154-F159 HydrophobicContact CB-CD1 4.09Å; Q154-F159 HydrophobicContact CB-CE1 3.67Å; Q154-F159 HydrophobicContact CB-CZ 4.17Å; Q154-F159 HydrophobicContact CG-CD1 4.07Å; Q154-F159 HydrophobicContact CG-CE1 3.76Å; Q154-F159 HydrophobicContact CG-CE2 4.24Å; Q154-F159 HydrophobicContact CG-CG 4.42Å; Q154-F159 HydrophobicContact CG-CZ 3.85Å; Q154-F159 WeakPolarHBondContact O-CE1 3.32Å; Q154-C166 HydrophobicContact CG-CB 4.37Å |
| 155 | T | 83.3 | Confident | 84.8 | Confident | 33 Ų | 33 | 54 Ų | 54 | 20% | 0.202 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 129.4 | 177.2 | -59.4 | 0 | 0 | 0 | 0 | 109 | A151 A152 L153 D157 K200 R208 | A151-T155 PolarHBondContact O-N 2.96Å; A151-T155 PolarHBondContact O-OG1 3.25Å; A151-T155 VanDerWaalsContact O-OG1 3.08Å; A152-T155 VanDerWaalsContact O-CB 3.28Å; A152-T155 WeakPolarHBondContact O-CB 3.3Å; A152-T155 PolarHBondContact O-N 3.22Å; A152-T155 PolarHBondContact O-OG1 3Å; A152-T155 VanDerWaalsContact O-OG1 3.13Å; L153-T155 PolarHBondContact O-N 2.93Å; T155-D157 PolarHBondContact O-N 3.41Å; T155-K200 HydrophobicContact CG2-CG 4.27Å; T155-R208 WeakPolarHBondContact O-CD 3.46Å; T155-R208 PolarHBondContact O-NE 2.91Å; T155-R208 PolarHBondContact O-NH1 3.19Å; T155-R208 VanDerWaalsContact O-NH1 3.17Å; T155-R208 PolarHBondContact O-NH2 2.84Å |
| 156 | G | 75.4 | Confident | 84.6 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 9.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q154 D158 | Q154-G156 PolarHBondContact O-N 3.41Å; G156-D158 PolarHBondContact O-N 3Å |
| 157 | D | 79.2 | Confident | 84.5 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 58.1 | 7.2 | 172.9 | -76.7 | -27.8 | 0 | 0 | 0 | 116.6 | Q154 T155 F159 K160 | Q154-D157 PolarHBondContact O-N 2.82Å; T155-D157 PolarHBondContact O-N 3.41Å; D157-F159 PolarHBondContact O-N 2.62Å; D157-F159 VanDerWaalsContact O-N 3.13Å; D157-K160 HydrophobicContact CB-CD 4.13Å; D157-K160 WeakPolarHBondContact O-CB 3.4Å; D157-K160 PolarHBondContact O-N 3.04Å; D157-K160 VanDerWaalsContact OD1-CE 3.23Å; D157-K160 WeakPolarHBondContact OD1-CE 3.44Å; D157-K160 IonicContact OD1-NZ 3.05Å; D157-K160 PolarHBondContact OD1-NZ 3.37Å; D157-K160 IonicContact OD2-NZ 3.24Å; D157-K160 PolarHBondContact OD2-NZ 3.13Å; D157-K160 VanDerWaalsContact OD2-NZ 3.09Å |
| 158 | D | 77.4 | Confident | 84.3 | Confident | 18 Ų | 18 | 56 Ų | 56 | 10% | 0.096 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.7 | -29.4 | 179.3 | -63 | -64.7 | 0 | 0 | 0 | 112.1 | G156 K160 A161 I162 R208 R209 L212 | G156-D158 PolarHBondContact O-N 3Å; D158-K160 VanDerWaalsContact C-N 3.25Å; D158-K160 PolarHBondContact O-N 2.95Å; D158-A161 PolarHBondContact O-N 3.18Å; D158-I162 WeakPolarHBondContact O-CG1 3.49Å; D158-I162 PolarHBondContact O-N 2.92Å; D158-R208 IonicContact OD2-CZ 3.27Å; D158-R208 VanDerWaalsContact OD2-CZ 3.24Å; D158-R208 IonicContact OD2-NE 2.82Å; D158-R208 PolarHBondContact OD2-NE 3.16Å; D158-R208 IonicContact OD2-NH2 2.89Å; D158-R208 PolarHBondContact OD2-NH2 3.1Å; D158-R209 HydrophobicContact CB-CG 4.29Å; D158-R209 IonicContact OD1-CZ 3.81Å; D158-R209 IonicContact OD1-NE 3.09Å; D158-R209 PolarHBondContact OD1-NE 2.93Å; D158-R209 IonicContact OD1-NH2 2.76Å; D158-R209 PolarHBondContact OD1-NH2 2.88Å; D158-L212 HydrophobicContact CB-CD1 3.92Å |
| 159 | F | 76.5 | Confident | 84.1 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 17% | 0.167 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -28.3 | 177.3 | 72.3 | -82.2 | 0 | 0 | 0 | 113.4 | Q154 D157 A161 G163 C166 L212 | Q154-F159 HydrophobicContact CB-CD1 4.09Å; Q154-F159 HydrophobicContact CB-CE1 3.67Å; Q154-F159 HydrophobicContact CB-CZ 4.17Å; Q154-F159 HydrophobicContact CG-CD1 4.07Å; Q154-F159 HydrophobicContact CG-CE1 3.76Å; Q154-F159 HydrophobicContact CG-CE2 4.24Å; Q154-F159 HydrophobicContact CG-CG 4.42Å; Q154-F159 HydrophobicContact CG-CZ 3.85Å; Q154-F159 WeakPolarHBondContact O-CE1 3.32Å; D157-F159 PolarHBondContact O-N 2.62Å; D157-F159 VanDerWaalsContact O-N 3.13Å; F159-A161 VanDerWaalsContact C-N 3.34Å; F159-G163 PolarHBondContact O-N 3.25Å; F159-C166 WeakPolarHBondContact CB-SG 3.23Å; F159-L212 HydrophobicContact CB-CD1 4.14Å; F159-L212 HydrophobicContact CB-CD2 4.05Å |
| 160 | K | 78.6 | Confident | 84.1 | Confident | 133 Ų | 133 | 52.7 Ų | 52.7 | 58% | 0.578 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -70.5 | -33.4 | 176.7 | -64.7 | 174.6 | 180 | 158.2 | 0 | 111.5 | D157 D158 | D157-K160 HydrophobicContact CB-CD 4.13Å; D157-K160 WeakPolarHBondContact O-CB 3.4Å; D157-K160 PolarHBondContact O-N 3.04Å; D157-K160 VanDerWaalsContact OD1-CE 3.23Å; D157-K160 WeakPolarHBondContact OD1-CE 3.44Å; D157-K160 IonicContact OD1-NZ 3.05Å; D157-K160 PolarHBondContact OD1-NZ 3.37Å; D157-K160 IonicContact OD2-NZ 3.24Å; D157-K160 PolarHBondContact OD2-NZ 3.13Å; D157-K160 VanDerWaalsContact OD2-NZ 3.09Å; D158-K160 VanDerWaalsContact C-N 3.25Å; D158-K160 PolarHBondContact O-N 2.95Å |
| 161 | A | 74.4 | Confident | 84 | Confident | 93 Ų | 93 | 52 Ų | 52 | 77% | 0.769 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -74.9 | -32.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D158 F159 | D158-A161 PolarHBondContact O-N 3.18Å; F159-A161 VanDerWaalsContact C-N 3.34Å |
| 162 | I | 76.3 | Confident | 84 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -90.5 | -24.9 | -177.2 | -58 | 168.3 | 0 | 0 | 0 | 111.3 | D158 V164 L212 | D158-I162 WeakPolarHBondContact O-CG1 3.49Å; D158-I162 PolarHBondContact O-N 2.92Å; I162-V164 HydrophobicContact CG2-CG2 3.75Å; I162-L212 HydrophobicContact CD1-CB 3.51Å; I162-L212 HydrophobicContact CD1-CD1 4.13Å; I162-L212 HydrophobicContact CD1-CG 4.48Å |
| 163 | G | 76.7 | Confident | 84 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 68% | 0.68 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 30.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F159 | F159-G163 PolarHBondContact O-N 3.25Š|
| 164 | V | 81.1 | Confident | 84.2 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | trans | -101.9 | 138.7 | -176.3 | 169.3 | 0 | 0 | 0 | 0 | 111.8 | I162 C166 | I162-V164 HydrophobicContact CG2-CG2 3.75Å; V164-C166 PolarHBondContact O-N 3.49Å | ||
| 165 | D | 86.2 | Confident | 84.3 | Confident | 108 Ų | 108 | 50.5 Ų | 50.5 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | trans | -67.6 | 96 | 175.5 | -70.6 | -30.6 | 0 | 0 | 0 | 111.3 | E167 H168 L169 | D165-E167 PolarHBondContact O-N 3.49Å; D165-H168 HydrophobicContact CB-CB 3.95Å; D165-H168 PolarHBondContact O-N 3.05Å; D165-L169 PolarHBondContact O-N 3.23Å; D165-L169 VanDerWaalsContact O-N 3.07Å | ||
| 166 | C | 87.1 | Confident | 84.7 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.1 | -34.5 | 179.4 | -67.7 | 0 | 0 | 0 | 0 | 112.6 | V150 L153 Q154 F159 V164 A170 | V150-C166 HydrophobicContact CG1-CB 4.37Å; L153-C166 HydrophobicContact CB-CB 4.4Å; Q154-C166 HydrophobicContact CG-CB 4.37Å; F159-C166 WeakPolarHBondContact CB-SG 3.23Å; V164-C166 PolarHBondContact O-N 3.49Å; C166-A170 WeakPolarHBondContact O-CB 3.41Å; C166-A170 PolarHBondContact O-N 3.5Å |
| 167 | E | 88.8 | Confident | 85.4 | Confident | 146 Ų | 146 | 51.1 Ų | 51.1 | 68% | 0.682 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 178.2 | -65 | -175.6 | -179.3 | 0 | 0 | 111.7 | V150 D165 A171 | V150-E167 HydrophobicContact CG1-CG 4.43Å; V150-E167 HydrophobicContact CG2-CB 4.46Å; V150-E167 HydrophobicContact CG2-CG 4.16Å; D165-E167 PolarHBondContact O-N 3.49Å; E167-A171 WeakPolarHBondContact O-CB 3.45Å; E167-A171 PolarHBondContact O-N 2.98Å |
| 168 | H | 89.6 | Confident | 85.9 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 179.3 | -172.2 | 62.8 | 0 | 0 | 0 | 111.1 | P132 A134 D165 A171 Q172 | P132-H168 PolarHBondContact O-CE1 3.16Å; A134-H168 WeakPolarHBondContact CA-ND1 3.34Å; D165-H168 HydrophobicContact CB-CB 3.95Å; D165-H168 PolarHBondContact O-N 3.05Å; H168-A171 PolarHBondContact O-N 2.93Å; H168-Q172 PolarHBondContact CD2-NE2 3.31Å; H168-Q172 PolarHBondContact NE2-NE2 2.89Å; H168-Q172 WeakPolarHBondContact O-CG 3.29Å; H168-Q172 PolarHBondContact O-N 3.35Å |
| 169 | L | 89.9 | Confident | 86.5 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.089 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 177 | -175.4 | 59.2 | 0 | 0 | 0 | 112 | L153 D165 A171 Q172 I173 V211 L212 P218 | L153-L169 HydrophobicContact CD1-CB 4.38Å; L153-L169 HydrophobicContact CD1-CD2 4.18Å; L153-L169 HydrophobicContact CD1-CG 4.25Å; L153-L169 HydrophobicContact CD2-CD2 4.48Å; D165-L169 PolarHBondContact O-N 3.23Å; D165-L169 VanDerWaalsContact O-N 3.07Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 3.39Å; L169-Q172 PolarHBondContact O-N 2.99Å; L169-I173 HydrophobicContact CD1-CD1 4.4Å; L169-I173 HydrophobicContact CG-CD1 4.13Å; L169-I173 WeakPolarHBondContact O-CG1 3.28Å; L169-I173 PolarHBondContact O-N 3.31Å; L169-V211 HydrophobicContact CD2-CG1 4.04Å; L169-L212 HydrophobicContact CD2-CD2 4.31Å; L169-P218 HydrophobicContact CD1-CG 3.81Å |
| 170 | A | 91.6 | Very high | 87 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L149 V150 L153 C166 I173 E174 | L149-A170 HydrophobicContact CB-CB 3.75Å; V150-A170 HydrophobicContact CG2-CB 3.54Å; L153-A170 HydrophobicContact CD1-CB 4.19Å; C166-A170 WeakPolarHBondContact O-CB 3.41Å; C166-A170 PolarHBondContact O-N 3.5Å; A170-I173 PolarHBondContact O-N 3.48Å; A170-E174 WeakPolarHBondContact O-CB 3.43Å; A170-E174 PolarHBondContact O-N 3.44Å |
| 171 | A | 91.4 | Very high | 87.4 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A134 P135 E167 H168 L169 E175 | A134-A171 HydrophobicContact CB-CB 4.36Å; P135-A171 HydrophobicContact CG-CB 4.33Å; E167-A171 WeakPolarHBondContact O-CB 3.45Å; E167-A171 PolarHBondContact O-N 2.98Å; H168-A171 PolarHBondContact O-N 2.93Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 3.39Å; A171-E175 VanDerWaalsContact O-CB 3.24Å; A171-E175 WeakPolarHBondContact O-CB 3.13Å; A171-E175 PolarHBondContact O-N 2.75Å |
| 172 | Q | 91.1 | Very high | 87.9 | Confident | 66 Ų | 66 | 55.2 Ų | 55.2 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 175.7 | -71.4 | -174.4 | 52.1 | 0 | 0 | 112.4 | H168 L169 E174 E175 R176 P218 | H168-Q172 PolarHBondContact CD2-NE2 3.31Å; H168-Q172 PolarHBondContact NE2-NE2 2.89Å; H168-Q172 WeakPolarHBondContact O-CG 3.29Å; H168-Q172 PolarHBondContact O-N 3.35Å; L169-Q172 PolarHBondContact O-N 2.99Å; Q172-E174 PolarHBondContact O-N 2.97Å; Q172-E175 PolarHBondContact O-N 3.34Å; Q172-R176 WeakPolarHBondContact O-CG 3.3Å; Q172-R176 PolarHBondContact O-N 3.02Å; Q172-P218 HydrophobicContact CB-CB 4.08Å; Q172-P218 HydrophobicContact CB-CG 4.27Å |
| 173 | I | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 178.8 | -66.8 | 168.7 | 0 | 0 | 0 | 110.4 | L149 L169 A170 R176 I177 V211 P218 I221 | L149-I173 HydrophobicContact CD1-CG2 4.33Å; L169-I173 HydrophobicContact CD1-CD1 4.4Å; L169-I173 HydrophobicContact CG-CD1 4.13Å; L169-I173 WeakPolarHBondContact O-CG1 3.28Å; L169-I173 PolarHBondContact O-N 3.31Å; A170-I173 PolarHBondContact O-N 3.48Å; I173-R176 PolarHBondContact O-N 3.14Å; I173-I177 HydrophobicContact CG2-CD1 4.01Å; I173-I177 WeakPolarHBondContact O-CG1 3.47Å; I173-I177 PolarHBondContact O-N 3.21Å; I173-I177 VanDerWaalsContact O-N 3.11Å; I173-V211 HydrophobicContact CD1-CG1 4.37Å; I173-P218 HydrophobicContact CG1-CB 4.04Å; I173-I221 HydrophobicContact CD1-CD1 4.5Å; I173-I221 HydrophobicContact CD1-CG2 3.87Å; I173-I221 HydrophobicContact CG1-CG2 3.7Å; I173-I221 HydrophobicContact CG2-CG2 4.1Å |
| 174 | E | 93.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 178.8 | -174.2 | -85.7 | 162 | 0 | 0 | 112 | R142 R146 L149 A170 Q172 R176 I177 F178 Y188 | R142-E174 WeakPolarHBondContact CB-OE1 3.29Å; R142-E174 WeakPolarHBondContact CG-OE1 3.3Å; R142-E174 IonicContact CZ-OE1 2.71Å; R142-E174 IonicContact CZ-OE2 2.93Å; R142-E174 IonicContact NE-OE1 3.41Å; R142-E174 PolarHBondContact NE-OE1 3.47Å; R142-E174 IonicContact NE-OE2 2.96Å; R142-E174 IonicContact NH2-OE1 2.63Å; R142-E174 PolarHBondContact NH2-OE1 3.08Å; R142-E174 IonicContact NH2-OE2 2.91Å; R142-E174 PolarHBondContact NH2-OE2 2.97Å; R146-E174 HydrophobicContact CG-CB 3.83Å; R146-E174 HydrophobicContact CG-CG 3.84Å; R146-E174 IonicContact CZ-OE2 2.77Å; R146-E174 VanDerWaalsContact CZ-OE2 3.27Å; R146-E174 IonicContact NE-OE2 2.99Å; R146-E174 PolarHBondContact NE-OE2 3.4Å; R146-E174 IonicContact NH2-OE2 3.93Å; R146-E174 PolarHBondContact NH2-OE2 3.04Å; L149-E174 HydrophobicContact CD1-CB 3.97Å; A170-E174 WeakPolarHBondContact O-CB 3.43Å; A170-E174 PolarHBondContact O-N 3.44Å; Q172-E174 PolarHBondContact O-N 2.97Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 3.48Å; E174-I177 PolarHBondContact O-N 3.1Å; E174-F178 WeakPolarHBondContact O-CB 3.45Å; E174-F178 PolarHBondContact O-N 2.91Å; E174-Y188 VanDerWaalsContact CG-OH 3.25Å; E174-Y188 WeakPolarHBondContact CG-OH 3.33Å; E174-Y188 PolarHBondContact OE1-OH 3.31Å |
| 175 | E | 90.9 | Very high | 89 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 178.6 | -176.4 | 59.5 | -140.8 | 0 | 0 | 111.3 | P135 R142 R146 A171 Q172 F178 Q179 | P135-E175 HydrophobicContact CB-CG 4.26Å; P135-E175 HydrophobicContact CG-CB 3.93Å; P135-E175 HydrophobicContact CG-CG 4.05Å; R142-E175 IonicContact CZ-OE2 3.72Å; R142-E175 IonicContact NH1-OE2 2.69Å; R142-E175 IonicContact NH2-OE2 3.39Å; R142-E175 PolarHBondContact NH2-OE2 2.83Å; R146-E175 IonicContact NH2-OE2 3.68Å; A171-E175 VanDerWaalsContact O-CB 3.24Å; A171-E175 WeakPolarHBondContact O-CB 3.13Å; A171-E175 PolarHBondContact O-N 2.75Å; Q172-E175 PolarHBondContact O-N 3.34Å; E175-F178 PolarHBondContact O-N 2.92Å; E175-Q179 VanDerWaalsContact O-CG 3.3Å; E175-Q179 WeakPolarHBondContact O-CG 3.37Å; E175-Q179 PolarHBondContact O-N 2.83Å; E175-Q179 PolarHBondContact OE1-NE2 3.38Å |
| 176 | R | 91.2 | Very high | 89 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 176.1 | -68.1 | -58.4 | -178.8 | 141.3 | 4.5 | 112.9 | Q172 I173 E174 F178 Q179 E180 E219 A222 | Q172-R176 WeakPolarHBondContact O-CG 3.3Å; Q172-R176 PolarHBondContact O-N 3.02Å; I173-R176 PolarHBondContact O-N 3.14Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 3.48Å; R176-F178 VanDerWaalsContact C-N 3.33Å; R176-Q179 PolarHBondContact O-N 3.47Å; R176-E180 PolarHBondContact O-N 3.43Å; R176-E219 HydrophobicContact CG-CG 4.24Å; R176-E219 VanDerWaalsContact CZ-CD 3.45Å; R176-E219 IonicContact CZ-OE1 3.92Å; R176-E219 IonicContact NE-OE1 2.88Å; R176-E219 IonicContact NH1-OE1 3.21Å; R176-E219 PolarHBondContact NH1-OE1 2.92Å; R176-E219 IonicContact NH1-OE2 3.72Å; R176-E219 IonicContact NH2-OE1 3.9Å; R176-E219 PolarHBondContact NH2-OE1 2.86Å; R176-A222 HydrophobicContact CB-CB 3.53Å |
| 177 | I | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 173.7 | -62.5 | 167.6 | 0 | 0 | 0 | 109.7 | I173 E174 E180 F181 Y188 R191 L192 R195 A222 | I173-I177 HydrophobicContact CG2-CD1 4.01Å; I173-I177 WeakPolarHBondContact O-CG1 3.47Å; I173-I177 PolarHBondContact O-N 3.21Å; I173-I177 VanDerWaalsContact O-N 3.11Å; E174-I177 PolarHBondContact O-N 3.1Å; I177-E180 PolarHBondContact O-N 3.5Å; I177-F181 HydrophobicContact CG2-CD2 4.03Å; I177-F181 HydrophobicContact CG2-CE2 4.16Å; I177-F181 VanDerWaalsContact O-CD2 3.3Å; I177-F181 WeakPolarHBondContact O-CD2 3.39Å; I177-F181 PolarHBondContact O-N 3.38Å; I177-Y188 HydrophobicContact CB-CE2 4.34Å; I177-Y188 HydrophobicContact CG2-CD2 3.68Å; I177-Y188 HydrophobicContact CG2-CE2 3.81Å; I177-R191 HydrophobicContact CG2-CB 4.27Å; I177-R191 HydrophobicContact CG2-CG 4.07Å; I177-L192 HydrophobicContact CD1-CD1 4.41Å; I177-R195 HydrophobicContact CD1-CG 4.03Å; I177-A222 HydrophobicContact CG1-CB 3.74Å |
| 178 | F | 90.4 | Very high | 89.2 | Confident | 45 Ų | 45 | 56 Ų | 56 | 20% | 0.197 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 177.8 | -172.2 | -99 | 0 | 0 | 0 | 112.3 | R142 E174 E175 R176 E180 F181 K182 Y188 | R142-F178 VanDerWaalsContact CZ-CG 3.48Å; E174-F178 WeakPolarHBondContact O-CB 3.45Å; E174-F178 PolarHBondContact O-N 2.91Å; E175-F178 PolarHBondContact O-N 2.92Å; R176-F178 VanDerWaalsContact C-N 3.33Å; F178-E180 VanDerWaalsContact C-N 3.29Å; F178-E180 PolarHBondContact O-N 3.44Å; F178-F181 PolarHBondContact O-N 3.49Å; F178-K182 VanDerWaalsContact O-CA 3.23Å; F178-K182 WeakPolarHBondContact O-CA 3.25Å; F178-K182 PolarHBondContact O-N 2.71Å; F178-Y188 HydrophobicContact CB-CE2 4.27Å; F178-Y188 HydrophobicContact CD2-CE2 4.4Å |
| 179 | Q | 89.9 | Confident | 89.3 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.9 | -33.7 | 175.9 | -76.3 | 171.9 | 14.6 | 0 | 0 | 113.2 | E175 R176 K182 | E175-Q179 VanDerWaalsContact O-CG 3.3Å; E175-Q179 WeakPolarHBondContact O-CG 3.37Å; E175-Q179 PolarHBondContact O-N 2.83Å; E175-Q179 PolarHBondContact OE1-NE2 3.38Å; R176-Q179 PolarHBondContact O-N 3.47Å; Q179-K182 WeakPolarHBondContact O-CG 3.25Å |
| 180 | E | 87.9 | Confident | 89.3 | Confident | 96 Ų | 96 | 59.9 Ų | 59.9 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.5 | -45.5 | 176.5 | -172.7 | -176.3 | 157.3 | 0 | 0 | 111.5 | R176 I177 F178 R191 | R176-E180 PolarHBondContact O-N 3.43Å; I177-E180 PolarHBondContact O-N 3.5Å; F178-E180 VanDerWaalsContact C-N 3.29Å; F178-E180 PolarHBondContact O-N 3.44Å; E180-R191 IonicContact OE1-NH2 3.47Å; E180-R191 PolarHBondContact OE1-NH2 2.95Å; E180-R191 IonicContact OE2-NH2 3.9Å |
| 181 | F | 85.4 | Confident | 89.2 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 23% | 0.228 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -94.7 | -28.1 | -173.6 | -67.3 | -73.1 | 0 | 0 | 0 | 114.3 | I177 F178 S183 K187 R191 | I177-F181 HydrophobicContact CG2-CD2 4.03Å; I177-F181 HydrophobicContact CG2-CE2 4.16Å; I177-F181 VanDerWaalsContact O-CD2 3.3Å; I177-F181 WeakPolarHBondContact O-CD2 3.39Å; I177-F181 PolarHBondContact O-N 3.38Å; F178-F181 PolarHBondContact O-N 3.49Å; F181-S183 PolarHBondContact O-N 2.83Å; F181-S183 PolarHBondContact O-OG 3.27Å; F181-K187 HydrophobicContact CD1-CB 4.08Å; F181-K187 HydrophobicContact CE1-CB 3.82Å; F181-K187 HydrophobicContact CZ-CB 4.49Å; F181-R191 HydrophobicContact CE2-CB 4.12Å; F181-R191 HydrophobicContact CE2-CG 4.22Å |
| 182 | K | 85 | Confident | 89.2 | Confident | 171 Ų | 171 | 62.8 Ų | 62.8 | 74% | 0.743 | 30% | 0.296 | S | S | * | . | trans | 53 | 11.4 | -175.3 | -58.5 | 177.7 | -178.9 | 174.3 | 0 | 115.1 | F178 Q179 | F178-K182 VanDerWaalsContact O-CA 3.23Å; F178-K182 WeakPolarHBondContact O-CA 3.25Å; F178-K182 PolarHBondContact O-N 2.71Å; Q179-K182 WeakPolarHBondContact O-CG 3.25Å | ||
| 183 | S | 86.1 | Confident | 89.2 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -145 | 151 | -177.5 | 67.3 | 0 | 0 | 0 | 0 | 111.5 | F181 D185 Y188 | F181-S183 PolarHBondContact O-N 2.83Å; F181-S183 PolarHBondContact O-OG 3.27Å; S183-D185 WeakPolarHBondContact CB-OD2 3.45Å; S183-D185 PolarHBondContact O-N 2.89Å; S183-D185 PolarHBondContact OG-OD2 3.47Å; S183-Y188 WeakPolarHBondContact O-CB 3.46Å |
| 184 | T | 84.4 | Confident | 89.1 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | trans | -84.7 | 46.2 | 176.6 | -47.4 | 0 | 0 | 0 | 0 | 111.3 | D139 V141 Y188 | D139-T184 PolarHBondContact OD2-OG1 2.9Å; V141-T184 HydrophobicContact CB-CG2 3.72Å; V141-T184 HydrophobicContact CG1-CG2 3.47Å; V141-T184 VanDerWaalsContact CG1-CG2 3.47Å; V141-T184 HydrophobicContact CG2-CG2 4.18Å; T184-Y188 HydrophobicContact CG2-CD1 4.39Å | ||
| 185 | D | 86.9 | Confident | 89 | Confident | 93 Ų | 93 | 67.9 Ų | 67.9 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | trans | -81.1 | 172.1 | -174.4 | -75.9 | -24.9 | 0 | 0 | 0 | 113.8 | S183 K187 Y188 K189 | S183-D185 WeakPolarHBondContact CB-OD2 3.45Å; S183-D185 PolarHBondContact O-N 2.89Å; S183-D185 PolarHBondContact OG-OD2 3.47Å; D185-K187 PolarHBondContact O-N 2.83Å; D185-Y188 WeakPolarHBondContact O-CB 3.27Å; D185-Y188 PolarHBondContact O-N 3.32Å; D185-K189 PolarHBondContact O-N 3.15Å | ||
| 186 | M | 87.4 | Confident | 89 | Confident | 133 Ų | 133 | 67 Ų | 67 | 66% | 0.655 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.7 | -28.8 | 174.6 | -72.5 | -57.9 | 171.2 | 0 | 0 | 113.2 | K189 T190 | M186-K189 PolarHBondContact O-N 3.26Å; M186-K189 HydrophobicContact SD-CD 4.09Å; M186-T190 VanDerWaalsContact O-CB 3.3Å; M186-T190 WeakPolarHBondContact O-CB 3.26Å; M186-T190 PolarHBondContact O-N 3.45Å; M186-T190 PolarHBondContact O-OG1 3.12Å |
| 187 | K | 88.8 | Confident | 88.9 | Confident | 157 Ų | 157 | 66.3 Ų | 66.3 | 68% | 0.683 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.4 | -47.1 | 173.9 | -66 | -179.1 | -179 | 176.6 | 0 | 110.9 | F181 D185 K189 T190 R191 | F181-K187 HydrophobicContact CD1-CB 4.08Å; F181-K187 HydrophobicContact CE1-CB 3.82Å; F181-K187 HydrophobicContact CZ-CB 4.49Å; D185-K187 PolarHBondContact O-N 2.83Å; K187-K189 PolarHBondContact O-N 3.15Å; K187-T190 PolarHBondContact O-N 2.92Å; K187-R191 PolarHBondContact O-N 2.12Å |
| 188 | Y | 90.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.5 | -52.2 | 172.8 | 168.6 | -93.4 | 0 | 0 | 0 | 111.5 | S145 E174 I177 F178 S183 T184 D185 T190 R191 L192 | S145-Y188 PolarHBondContact OG-OH 2.87Å; E174-Y188 VanDerWaalsContact CG-OH 3.25Å; E174-Y188 WeakPolarHBondContact CG-OH 3.33Å; E174-Y188 PolarHBondContact OE1-OH 3.31Å; I177-Y188 HydrophobicContact CB-CE2 4.34Å; I177-Y188 HydrophobicContact CG2-CD2 3.68Å; I177-Y188 HydrophobicContact CG2-CE2 3.81Å; F178-Y188 HydrophobicContact CB-CE2 4.27Å; F178-Y188 HydrophobicContact CD2-CE2 4.4Å; S183-Y188 WeakPolarHBondContact O-CB 3.46Å; T184-Y188 HydrophobicContact CG2-CD1 4.39Å; D185-Y188 WeakPolarHBondContact O-CB 3.27Å; D185-Y188 PolarHBondContact O-N 3.32Å; Y188-T190 VanDerWaalsContact C-N 3.3Å; Y188-T190 PolarHBondContact O-N 3.08Å; Y188-R191 PolarHBondContact O-N 2.98Å; Y188-L192 WeakPolarHBondContact O-CB 3.45Å; Y188-L192 PolarHBondContact O-N 3.5Å |
| 189 | K | 90.4 | Very high | 88.8 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 32% | 0.317 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 179.4 | -66.9 | 176.9 | -176 | 170.2 | 0 | 112.9 | D185 M186 K187 R193 | D185-K189 PolarHBondContact O-N 3.15Å; M186-K189 PolarHBondContact O-N 3.26Å; M186-K189 HydrophobicContact SD-CD 4.09Å; K187-K189 PolarHBondContact O-N 3.15Å; K189-R193 WeakPolarHBondContact O-CB 3.43Å; K189-R193 WeakPolarHBondContact O-CG 3.39Å; K189-R193 PolarHBondContact O-N 3.35Å; K189-R193 PolarHBondContact O-NE 2.93Å |
| 190 | T | 90.9 | Very high | 88.7 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 42% | 0.423 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.4 | -44 | 177.8 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | M186 K187 Y188 L192 R193 S194 | M186-T190 VanDerWaalsContact O-CB 3.3Å; M186-T190 WeakPolarHBondContact O-CB 3.26Å; M186-T190 PolarHBondContact O-N 3.45Å; M186-T190 PolarHBondContact O-OG1 3.12Å; K187-T190 PolarHBondContact O-N 2.92Å; Y188-T190 VanDerWaalsContact C-N 3.3Å; Y188-T190 PolarHBondContact O-N 3.08Å; T190-L192 PolarHBondContact O-N 3.33Å; T190-R193 PolarHBondContact O-N 2.83Å; T190-R193 PolarHBondContact OG1-NH2 3.01Å; T190-S194 PolarHBondContact O-N 3.46Å |
| 191 | R | 89.7 | Confident | 88.7 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 20% | 0.204 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -49.2 | 175 | -169.4 | 72.4 | 93 | 146.8 | 7.5 | 110.7 | I177 E180 F181 K187 Y188 R193 S194 R195 S223 | I177-R191 HydrophobicContact CG2-CB 4.27Å; I177-R191 HydrophobicContact CG2-CG 4.07Å; E180-R191 IonicContact OE1-NH2 3.47Å; E180-R191 PolarHBondContact OE1-NH2 2.95Å; E180-R191 IonicContact OE2-NH2 3.9Å; F181-R191 HydrophobicContact CE2-CB 4.12Å; F181-R191 HydrophobicContact CE2-CG 4.22Å; K187-R191 PolarHBondContact O-N 2.12Å; Y188-R191 PolarHBondContact O-N 2.98Å; R191-R193 PolarHBondContact O-N 3.41Å; R191-S194 WeakPolarHBondContact O-CB 3.41Å; R191-S194 PolarHBondContact O-N 3.07Å; R191-S194 VanDerWaalsContact O-N 3.15Å; R191-S194 PolarHBondContact O-OG 3.2Å; R191-R195 PolarHBondContact O-N 2.88Å; R191-R195 VanDerWaalsContact O-N 3.08Å; R191-S223 PolarHBondContact NH1-O 2.83Å |
| 192 | L | 91.6 | Very high | 88.6 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59 | -48.6 | 177.9 | -170.6 | 91.6 | 0 | 0 | 0 | 112.5 | L149 I177 Y188 T190 S194 R195 I196 | L149-L192 HydrophobicContact CD1-CD1 3.67Å; L149-L192 HydrophobicContact CG-CD1 4.07Å; I177-L192 HydrophobicContact CD1-CD1 4.41Å; Y188-L192 WeakPolarHBondContact O-CB 3.45Å; Y188-L192 PolarHBondContact O-N 3.5Å; T190-L192 PolarHBondContact O-N 3.33Å; L192-S194 PolarHBondContact O-N 2.76Å; L192-R195 PolarHBondContact O-N 2.8Å; L192-R195 VanDerWaalsContact O-N 3.07Å; L192-I196 HydrophobicContact CD2-CD1 3.82Å; L192-I196 HydrophobicContact CG-CD1 3.81Å; L192-I196 WeakPolarHBondContact O-CG1 3.25Å; L192-I196 PolarHBondContact O-N 3.22Å |
| 193 | R | 90.6 | Very high | 88.3 | Confident | 144 Ų | 144 | 69.5 Ų | 69.5 | 54% | 0.543 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.4 | -39.6 | 176 | -79.6 | -175.9 | -75.6 | 112 | -3.9 | 111.9 | K189 T190 R191 I196 S197 | K189-R193 WeakPolarHBondContact O-CB 3.43Å; K189-R193 WeakPolarHBondContact O-CG 3.39Å; K189-R193 PolarHBondContact O-N 3.35Å; K189-R193 PolarHBondContact O-NE 2.93Å; T190-R193 PolarHBondContact O-N 2.83Å; T190-R193 PolarHBondContact OG1-NH2 3.01Å; R191-R193 PolarHBondContact O-N 3.41Å; R193-I196 PolarHBondContact O-N 3.33Å; R193-S197 WeakPolarHBondContact O-CB 3.3Å; R193-S197 PolarHBondContact O-N 2.81Å |
| 194 | S | 89.9 | Confident | 88.1 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.1 | 81.3 | 0 | 0 | 0 | 0 | 111.8 | T190 R191 L192 S197 N198 | T190-S194 PolarHBondContact O-N 3.46Å; R191-S194 WeakPolarHBondContact O-CB 3.41Å; R191-S194 PolarHBondContact O-N 3.07Å; R191-S194 VanDerWaalsContact O-N 3.15Å; R191-S194 PolarHBondContact O-OG 3.2Å; L192-S194 PolarHBondContact O-N 2.76Å; S194-S197 PolarHBondContact O-N 3.38Å; S194-N198 PolarHBondContact O-N 2.85Å; S194-N198 VanDerWaalsContact O-N 3.09Å; S194-N198 PolarHBondContact O-ND2 3.14Å |
| 195 | R | 90.5 | Very high | 88 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 176.8 | -60.1 | -44.8 | -179.9 | -133.4 | 10.3 | 112 | L149 I177 R191 L192 S197 N198 L199 I221 A222 M224 | L149-R195 HydrophobicContact CD2-CB 4.29Å; I177-R195 HydrophobicContact CD1-CG 4.03Å; R191-R195 PolarHBondContact O-N 2.88Å; R191-R195 VanDerWaalsContact O-N 3.08Å; L192-R195 PolarHBondContact O-N 2.8Å; L192-R195 VanDerWaalsContact O-N 3.07Å; R195-S197 VanDerWaalsContact C-N 3.28Å; R195-S197 PolarHBondContact O-N 2.87Å; R195-N198 PolarHBondContact O-N 3.31Å; R195-L199 WeakPolarHBondContact O-CB 3.26Å; R195-L199 WeakPolarHBondContact O-CG 2.86Å; R195-L199 PolarHBondContact O-N 3.18Å; R195-I221 WeakPolarHBondContact CD-O 3.49Å; R195-I221 PolarHBondContact NE-O 3.16Å; R195-I221 PolarHBondContact NH2-O 3.47Å; R195-A222 VanDerWaalsContact NH2-C 3.3Å; R195-A222 PolarHBondContact NH2-O 3.24Å; R195-M224 PolarHBondContact NH1-O 3.21Å; R195-M224 PolarHBondContact NH2-O 2.93Å |
| 196 | I | 91.3 | Very high | 87.9 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.2 | -44.6 | 178.2 | -66.9 | 162.1 | 0 | 0 | 0 | 110.3 | L148 L149 A152 L192 R193 K200 | L148-I196 HydrophobicContact CB-CD1 3.72Å; L148-I196 HydrophobicContact CD1-CD1 4.45Å; L149-I196 HydrophobicContact CD2-CG1 3.8Å; L149-I196 HydrophobicContact CG-CG1 4.19Å; A152-I196 HydrophobicContact CB-CG2 4.16Å; L192-I196 HydrophobicContact CD2-CD1 3.82Å; L192-I196 HydrophobicContact CG-CD1 3.81Å; L192-I196 WeakPolarHBondContact O-CG1 3.25Å; L192-I196 PolarHBondContact O-N 3.22Å; R193-I196 PolarHBondContact O-N 3.33Å; I196-K200 WeakPolarHBondContact O-CB 3.09Å; I196-K200 PolarHBondContact O-N 3.06Å |
| 197 | S | 89.8 | Confident | 87.9 | Confident | 79 Ų | 79 | 63.7 Ų | 63.7 | 55% | 0.552 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.9 | -36.2 | 180 | -169.2 | 0 | 0 | 0 | 0 | 113.3 | R193 S194 R195 D201 | R193-S197 WeakPolarHBondContact O-CB 3.3Å; R193-S197 PolarHBondContact O-N 2.81Å; S194-S197 PolarHBondContact O-N 3.38Å; R195-S197 VanDerWaalsContact C-N 3.28Å; R195-S197 PolarHBondContact O-N 2.87Å; S197-D201 PolarHBondContact O-N 3.14Å |
| 198 | N | 88.9 | Confident | 87.8 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74 | -41.7 | 178.5 | -80.4 | -85.7 | 0 | 0 | 0 | 111.6 | S194 R195 K200 D201 L207 M229 | S194-N198 PolarHBondContact O-N 2.85Å; S194-N198 VanDerWaalsContact O-N 3.09Å; S194-N198 PolarHBondContact O-ND2 3.14Å; R195-N198 PolarHBondContact O-N 3.31Å; N198-K200 VanDerWaalsContact C-N 3.25Å; N198-K200 PolarHBondContact O-N 3.47Å; N198-D201 WeakPolarHBondContact O-CB 3.34Å; N198-D201 PolarHBondContact O-N 3.21Å; N198-L207 HydrophobicContact CB-CD2 4.1Å; N198-M229 HydrophobicContact CB-CB 4.25Å; N198-M229 HydrophobicContact CB-CE 4.05Å; N198-M229 HydrophobicContact CB-SD 4.27Å |
| 199 | L | 87.9 | Confident | 87.6 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.6 | -28.4 | 176.7 | -71.3 | 172 | 0 | 0 | 0 | 113 | L149 A152 L153 R195 V211 I221 | L149-L199 HydrophobicContact CD2-CD1 4.26Å; A152-L199 HydrophobicContact CB-CB 4.01Å; L153-L199 HydrophobicContact CD2-CD1 3.96Å; L153-L199 HydrophobicContact CD2-CD2 4.06Å; L153-L199 HydrophobicContact CG-CD1 4.35Å; R195-L199 WeakPolarHBondContact O-CB 3.26Å; R195-L199 WeakPolarHBondContact O-CG 2.86Å; R195-L199 PolarHBondContact O-N 3.18Å; L199-V211 HydrophobicContact CD2-CB 4.42Å; L199-V211 HydrophobicContact CD2-CG1 4.41Å; L199-V211 HydrophobicContact CD2-CG2 4.2Å; L199-I221 HydrophobicContact CD1-CD1 4.24Å; L199-I221 HydrophobicContact CD2-CD1 3.86Å; L199-I221 HydrophobicContact CG-CD1 4.24Å |
| 200 | K | 88.9 | Confident | 87.5 | Confident | 121 Ų | 121 | 60.8 Ų | 60.8 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 1.4 | 176.9 | -158.9 | 169.7 | 67.9 | 176.7 | 0 | 113.2 | A152 T155 I196 N198 Q202 | A152-K200 HydrophobicContact CB-CB 4.49Å; T155-K200 HydrophobicContact CG2-CG 4.27Å; I196-K200 WeakPolarHBondContact O-CB 3.09Å; I196-K200 PolarHBondContact O-N 3.06Å; N198-K200 VanDerWaalsContact C-N 3.25Å; N198-K200 PolarHBondContact O-N 3.47Å; K200-Q202 PolarHBondContact O-N 3.46Å; K200-Q202 VanDerWaalsContact O-N 3.14Å |
| 201 | D | 86.9 | Confident | 87.4 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | trans | -69.2 | 114.2 | -179.5 | -168 | -3.6 | 0 | 0 | 0 | 110.4 | S197 N198 K203 N204 | S197-D201 PolarHBondContact O-N 3.14Å; N198-D201 WeakPolarHBondContact O-CB 3.34Å; N198-D201 PolarHBondContact O-N 3.21Å; D201-K203 PolarHBondContact O-N 3Å; D201-K203 WeakPolarHBondContact OD1-CB 3.49Å; D201-K203 PolarHBondContact OD1-N 3.2Å; D201-N204 PolarHBondContact O-N 3.25Å | ||
| 202 | Q | 84 | Confident | 87.3 | Confident | 137 Ų | 137 | 55.3 Ų | 55.3 | 64% | 0.64 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22.7 | 178.5 | -167.6 | 61.9 | 28.1 | 0 | 0 | 112.1 | K200 N204 | K200-Q202 PolarHBondContact O-N 3.46Å; K200-Q202 VanDerWaalsContact O-N 3.14Å; Q202-N204 VanDerWaalsContact C-N 3.29Å |
| 203 | K | 79.3 | Confident | 87 | Confident | 184 Ų | 184 | 58.1 Ų | 58.1 | 80% | 0.8 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.8 | -179.4 | -60.7 | -176.2 | 179.1 | -174.4 | 0 | 112.9 | D201 | D201-K203 PolarHBondContact O-N 3Å; D201-K203 WeakPolarHBondContact OD1-CB 3.49Å; D201-K203 PolarHBondContact OD1-N 3.2Å |
| 204 | N | 80.3 | Confident | 86.6 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | trans | -135.8 | 69.3 | -179 | -169.2 | 9.4 | 0 | 0 | 0 | 112 | D201 Q202 E206 L207 S231 | D201-N204 PolarHBondContact O-N 3.25Å; Q202-N204 VanDerWaalsContact C-N 3.29Å; N204-E206 PolarHBondContact O-N 3.31Å; N204-L207 PolarHBondContact O-N 3.49Å; N204-L207 PolarHBondContact OD1-N 3.42Å; N204-S231 WeakPolarHBondContact ND2-CA 3.28Å | ||
| 205 | P | 84.2 | Confident | 86.4 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.5 | -24 | 176.4 | 29.2 | -35.2 | 0 | 0 | 0 | 112.4 | L207 R208 R209 | P205-L207 VanDerWaalsContact C-N 3.32Å; P205-L207 PolarHBondContact O-N 2.99Å; P205-R208 WeakPolarHBondContact O-CB 3.47Å; P205-R208 PolarHBondContact O-N 3.25Å; P205-R208 VanDerWaalsContact O-N 3.16Å; P205-R209 WeakPolarHBondContact O-CG 3.44Å; P205-R209 PolarHBondContact O-N 3.3Å |
| 206 | E | 84.7 | Confident | 86.3 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 178.8 | -72.6 | -59.9 | 135.1 | 0 | 0 | 112.4 | N204 R208 R209 N210 | N204-E206 PolarHBondContact O-N 3.31Å; E206-R208 VanDerWaalsContact C-N 3.33Å; E206-R208 PolarHBondContact O-N 2.85Å; E206-R209 PolarHBondContact O-N 3.03Å; E206-R209 IonicContact OE1-NH1 3.94Å; E206-N210 VanDerWaalsContact O-CB 3.32Å; E206-N210 WeakPolarHBondContact O-CB 3.33Å; E206-N210 PolarHBondContact O-N 3.34Å; E206-N210 PolarHBondContact O-ND2 3.4Å |
| 207 | L | 85.6 | Confident | 86.1 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.073 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 174.7 | -177.7 | 73.3 | 0 | 0 | 0 | 111.2 | N198 N204 P205 N210 V211 I216 M229 | N198-L207 HydrophobicContact CB-CD2 4.1Å; N204-L207 PolarHBondContact O-N 3.49Å; N204-L207 PolarHBondContact OD1-N 3.42Å; P205-L207 VanDerWaalsContact C-N 3.32Å; P205-L207 PolarHBondContact O-N 2.99Å; L207-N210 PolarHBondContact O-N 2.92Å; L207-V211 VanDerWaalsContact O-CG2 3.23Å; L207-V211 WeakPolarHBondContact O-CG2 3.46Å; L207-V211 PolarHBondContact O-N 3.3Å; L207-V211 VanDerWaalsContact O-N 3.09Å; L207-I216 HydrophobicContact CD1-CD1 3.75Å; L207-M229 HydrophobicContact CD2-CB 4.02Å; L207-M229 HydrophobicContact CD2-CG 4.47Å |
| 208 | R | 87.4 | Confident | 86 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 2% | 0.023 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 178.3 | 178.6 | 177 | 59 | -134.1 | 7.4 | 111.1 | T155 D158 P205 E206 N210 V211 L212 | T155-R208 WeakPolarHBondContact O-CD 3.46Å; T155-R208 PolarHBondContact O-NE 2.91Å; T155-R208 PolarHBondContact O-NH1 3.19Å; T155-R208 VanDerWaalsContact O-NH1 3.17Å; T155-R208 PolarHBondContact O-NH2 2.84Å; D158-R208 IonicContact OD2-CZ 3.27Å; D158-R208 VanDerWaalsContact OD2-CZ 3.24Å; D158-R208 IonicContact OD2-NE 2.82Å; D158-R208 PolarHBondContact OD2-NE 3.16Å; D158-R208 IonicContact OD2-NH2 2.89Å; D158-R208 PolarHBondContact OD2-NH2 3.1Å; P205-R208 WeakPolarHBondContact O-CB 3.47Å; P205-R208 PolarHBondContact O-N 3.25Å; P205-R208 VanDerWaalsContact O-N 3.16Å; E206-R208 VanDerWaalsContact C-N 3.33Å; E206-R208 PolarHBondContact O-N 2.85Å; R208-N210 PolarHBondContact O-N 3.26Å; R208-V211 PolarHBondContact O-N 3.17Å; R208-L212 HydrophobicContact CG-CD1 3.91Å; R208-L212 HydrophobicContact CG-CG 4.41Å; R208-L212 WeakPolarHBondContact O-CG 3.46Å; R208-L212 PolarHBondContact O-N 3.43Å |
| 209 | R | 87.7 | Confident | 86 | Confident | 106 Ų | 106 | 60.6 Ų | 60.6 | 40% | 0.4 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 176.3 | -71.1 | 174 | 175.8 | -168 | -6.7 | 112.1 | D158 P205 E206 V211 L212 C213 | D158-R209 HydrophobicContact CB-CG 4.29Å; D158-R209 IonicContact OD1-CZ 3.81Å; D158-R209 IonicContact OD1-NE 3.09Å; D158-R209 PolarHBondContact OD1-NE 2.93Å; D158-R209 IonicContact OD1-NH2 2.76Å; D158-R209 PolarHBondContact OD1-NH2 2.88Å; P205-R209 WeakPolarHBondContact O-CG 3.44Å; P205-R209 PolarHBondContact O-N 3.3Å; E206-R209 PolarHBondContact O-N 3.03Å; E206-R209 IonicContact OE1-NH1 3.94Å; R209-V211 VanDerWaalsContact C-N 3.27Å; R209-V211 PolarHBondContact O-N 3.09Å; R209-L212 PolarHBondContact O-N 3.22Å; R209-C213 WeakPolarHBondContact O-CB 3.15Å; R209-C213 PolarHBondContact O-N 3.21Å; R209-C213 PolarHBondContact O-SG 3.42Å |
| 210 | N | 87.9 | Confident | 86 | Confident | 58 Ų | 58 | 67.3 Ų | 67.3 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.4 | -31.6 | 177.6 | -73.9 | -33.3 | 0 | 0 | 0 | 113.3 | E206 L207 R208 C213 G214 S215 I216 | E206-N210 VanDerWaalsContact O-CB 3.32Å; E206-N210 WeakPolarHBondContact O-CB 3.33Å; E206-N210 PolarHBondContact O-N 3.34Å; E206-N210 PolarHBondContact O-ND2 3.4Å; L207-N210 PolarHBondContact O-N 2.92Å; R208-N210 PolarHBondContact O-N 3.26Å; N210-C213 VanDerWaalsContact CA-SG 3.54Å; N210-G214 PolarHBondContact O-N 3.04Å; N210-S215 WeakPolarHBondContact O-CB 3.45Å; N210-S215 PolarHBondContact O-N 3.34Å; N210-I216 HydrophobicContact CB-CD1 3.84Å; N210-I216 HydrophobicContact CB-CG1 4.11Å; N210-I216 PolarHBondContact O-N 3.13Å |
| 211 | V | 88.6 | Confident | 85.9 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -75.5 | -41.7 | 174.1 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | L153 L169 I173 L199 L207 R208 R209 G214 I216 I221 | L153-V211 HydrophobicContact CD2-CG1 4.16Å; L169-V211 HydrophobicContact CD2-CG1 4.04Å; I173-V211 HydrophobicContact CD1-CG1 4.37Å; L199-V211 HydrophobicContact CD2-CB 4.42Å; L199-V211 HydrophobicContact CD2-CG1 4.41Å; L199-V211 HydrophobicContact CD2-CG2 4.2Å; L207-V211 VanDerWaalsContact O-CG2 3.23Å; L207-V211 WeakPolarHBondContact O-CG2 3.46Å; L207-V211 PolarHBondContact O-N 3.3Å; L207-V211 VanDerWaalsContact O-N 3.09Å; R208-V211 PolarHBondContact O-N 3.17Å; R209-V211 VanDerWaalsContact C-N 3.27Å; R209-V211 PolarHBondContact O-N 3.09Å; V211-G214 PolarHBondContact O-N 2.99Å; V211-I216 HydrophobicContact CG2-CB 4Å; V211-I216 HydrophobicContact CG2-CD1 4.13Å; V211-I216 HydrophobicContact CG2-CG2 4.25Å; V211-I221 HydrophobicContact CG1-CD1 4.14Å; V211-I221 HydrophobicContact CG2-CD1 3.64Å |
| 212 | L | 87.3 | Confident | 85.9 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.2 | -39 | 178.2 | -72.3 | 169.7 | 0 | 0 | 0 | 112.6 | L153 D158 F159 I162 L169 R208 R209 G214 | L153-L212 HydrophobicContact CD2-CD2 4.45Å; D158-L212 HydrophobicContact CB-CD1 3.92Å; F159-L212 HydrophobicContact CB-CD1 4.14Å; F159-L212 HydrophobicContact CB-CD2 4.05Å; I162-L212 HydrophobicContact CD1-CB 3.51Å; I162-L212 HydrophobicContact CD1-CD1 4.13Å; I162-L212 HydrophobicContact CD1-CG 4.48Å; L169-L212 HydrophobicContact CD2-CD2 4.31Å; R208-L212 HydrophobicContact CG-CD1 3.91Å; R208-L212 HydrophobicContact CG-CG 4.41Å; R208-L212 WeakPolarHBondContact O-CG 3.46Å; R208-L212 PolarHBondContact O-N 3.43Å; R209-L212 PolarHBondContact O-N 3.22Å; L212-G214 VanDerWaalsContact C-N 3.26Å; L212-G214 PolarHBondContact O-N 3.31Å |
| 213 | C | 84.8 | Confident | 85.9 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 48% | 0.48 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -2.4 | 178.1 | 71.7 | 0 | 0 | 0 | 0 | 113.8 | R209 N210 S215 | R209-C213 WeakPolarHBondContact O-CB 3.15Å; R209-C213 PolarHBondContact O-N 3.21Å; R209-C213 PolarHBondContact O-SG 3.42Å; N210-C213 VanDerWaalsContact CA-SG 3.54Å; C213-S215 VanDerWaalsContact C-N 3.34Å; C213-S215 PolarHBondContact O-N 3.03Å; C213-S215 PolarHBondContact SG-OG 3.48Å |
| 214 | G | 83.3 | Confident | 85.9 | Confident | 54 Ų | 54 | 47.7 Ų | 47.7 | 56% | 0.557 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 3.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | N210 V211 L212 I216 | N210-G214 PolarHBondContact O-N 3.04Å; V211-G214 PolarHBondContact O-N 2.99Å; L212-G214 VanDerWaalsContact C-N 3.26Å; L212-G214 PolarHBondContact O-N 3.31Å; G214-I216 PolarHBondContact O-N 3.29Å |
| 215 | S | 85.9 | Confident | 85.8 | Confident | 90 Ų | 90 | 49.2 Ų | 49.2 | 63% | 0.629 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -58 | -31.6 | 171.4 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | N210 C213 | N210-S215 WeakPolarHBondContact O-CB 3.45Å; N210-S215 PolarHBondContact O-N 3.34Å; C213-S215 VanDerWaalsContact C-N 3.34Å; C213-S215 PolarHBondContact O-N 3.03Å; C213-S215 PolarHBondContact SG-OG 3.48Å |
| 216 | I | 87.3 | Confident | 85 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -110.2 | 113.3 | 171.9 | -60.1 | 171.9 | 0 | 0 | 0 | 108.9 | L207 N210 V211 G214 R220 I221 M224 | L207-I216 HydrophobicContact CD1-CD1 3.75Å; N210-I216 HydrophobicContact CB-CD1 3.84Å; N210-I216 HydrophobicContact CB-CG1 4.11Å; N210-I216 PolarHBondContact O-N 3.13Å; V211-I216 HydrophobicContact CG2-CB 4Å; V211-I216 HydrophobicContact CG2-CD1 4.13Å; V211-I216 HydrophobicContact CG2-CG2 4.25Å; G214-I216 PolarHBondContact O-N 3.29Å; I216-R220 HydrophobicContact CG2-CB 4.28Å; I216-R220 HydrophobicContact CG2-CG 4.37Å; I216-I221 HydrophobicContact CG2-CB 4.05Å; I216-M224 HydrophobicContact CG2-SD 4.49Å |
| 217 | A | 87.8 | Confident | 84.1 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | trans | -64.8 | 148.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E219 R220 I221 | A217-E219 PolarHBondContact O-N 3.35Å; A217-E219 VanDerWaalsContact O-N 3.15Å; A217-R220 HydrophobicContact CB-CB 4.42Å; A217-R220 WeakPolarHBondContact O-CB 3.38Å; A217-R220 PolarHBondContact O-N 3.22Å; A217-I221 PolarHBondContact O-N 3.45Å | ||
| 218 | P | 87.3 | Confident | 83.2 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 16% | 0.156 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.5 | -33.2 | 175.8 | -28.4 | 36.4 | 0 | 0 | 0 | 113.9 | L169 Q172 I173 I221 A222 | L169-P218 HydrophobicContact CD1-CG 3.81Å; Q172-P218 HydrophobicContact CB-CB 4.08Å; Q172-P218 HydrophobicContact CB-CG 4.27Å; I173-P218 HydrophobicContact CG1-CB 4.04Å; P218-I221 VanDerWaalsContact O-CG2 3.29Å; P218-I221 WeakPolarHBondContact O-CG2 3.44Å; P218-A222 VanDerWaalsContact O-CB 3.27Å; P218-A222 WeakPolarHBondContact O-CB 3.42Å; P218-A222 PolarHBondContact O-N 3.08Å |
| 219 | E | 88.8 | Confident | 82.1 | Confident | 102 Ų | 102 | 55.1 Ų | 55.1 | 48% | 0.477 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 174.7 | -61.1 | -176.7 | -173.5 | 0 | 0 | 112.5 | R176 A217 A222 S223 | R176-E219 HydrophobicContact CG-CG 4.24Å; R176-E219 VanDerWaalsContact CZ-CD 3.45Å; R176-E219 IonicContact CZ-OE1 3.92Å; R176-E219 IonicContact NE-OE1 2.88Å; R176-E219 IonicContact NH1-OE1 3.21Å; R176-E219 PolarHBondContact NH1-OE1 2.92Å; R176-E219 IonicContact NH1-OE2 3.72Å; R176-E219 IonicContact NH2-OE1 3.9Å; R176-E219 PolarHBondContact NH2-OE1 2.86Å; A217-E219 PolarHBondContact O-N 3.35Å; A217-E219 VanDerWaalsContact O-N 3.15Å; E219-A222 PolarHBondContact O-N 2.77Å; E219-S223 PolarHBondContact O-N 3Å; E219-S223 VanDerWaalsContact O-N 3.14Å; E219-S223 PolarHBondContact O-OG 3Å |
| 220 | R | 87.1 | Confident | 81.1 | Confident | 144 Ų | 144 | 50.8 Ų | 50.8 | 54% | 0.543 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.7 | -43 | -178.1 | -175.6 | 61.1 | -178.7 | -162.3 | 7.3 | 110.2 | I216 A217 A222 S223 M224 | I216-R220 HydrophobicContact CG2-CB 4.28Å; I216-R220 HydrophobicContact CG2-CG 4.37Å; A217-R220 HydrophobicContact CB-CB 4.42Å; A217-R220 WeakPolarHBondContact O-CB 3.38Å; A217-R220 PolarHBondContact O-N 3.22Å; R220-A222 VanDerWaalsContact C-N 3.34Å; R220-S223 PolarHBondContact O-N 2.96Å; R220-S223 PolarHBondContact O-OG 3.04Å; R220-M224 HydrophobicContact CG-CE 4.03Å; R220-M224 VanDerWaalsContact O-CB 3.25Å; R220-M224 WeakPolarHBondContact O-CB 3.22Å; R220-M224 VanDerWaalsContact O-CG 3.27Å; R220-M224 WeakPolarHBondContact O-CG 3.47Å; R220-M224 PolarHBondContact O-N 3.2Å |
| 221 | I | 87.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.6 | -34.2 | 175 | -161 | 179.8 | 0 | 0 | 0 | 112.1 | I173 R195 L199 V211 I216 A217 P218 S223 M224 M229 | I173-I221 HydrophobicContact CD1-CD1 4.5Å; I173-I221 HydrophobicContact CD1-CG2 3.87Å; I173-I221 HydrophobicContact CG1-CG2 3.7Å; I173-I221 HydrophobicContact CG2-CG2 4.1Å; R195-I221 WeakPolarHBondContact CD-O 3.49Å; R195-I221 PolarHBondContact NE-O 3.16Å; R195-I221 PolarHBondContact NH2-O 3.47Å; L199-I221 HydrophobicContact CD1-CD1 4.24Å; L199-I221 HydrophobicContact CD2-CD1 3.86Å; L199-I221 HydrophobicContact CG-CD1 4.24Å; V211-I221 HydrophobicContact CG1-CD1 4.14Å; V211-I221 HydrophobicContact CG2-CD1 3.64Å; I216-I221 HydrophobicContact CG2-CB 4.05Å; A217-I221 PolarHBondContact O-N 3.45Å; P218-I221 VanDerWaalsContact O-CG2 3.29Å; P218-I221 WeakPolarHBondContact O-CG2 3.44Å; I221-S223 VanDerWaalsContact C-N 3.32Å; I221-S223 PolarHBondContact O-N 3.04Å; I221-M224 HydrophobicContact CB-SD 4.2Å; I221-M224 HydrophobicContact CG1-SD 4.03Å; I221-M229 HydrophobicContact CG1-SD 4.11Å |
| 222 | A | 87.1 | Confident | 79.4 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.033 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R176 I177 R195 P218 E219 R220 | R176-A222 HydrophobicContact CB-CB 3.53Å; I177-A222 HydrophobicContact CG1-CB 3.74Å; R195-A222 VanDerWaalsContact NH2-C 3.3Å; R195-A222 PolarHBondContact NH2-O 3.24Å; P218-A222 VanDerWaalsContact O-CB 3.27Å; P218-A222 WeakPolarHBondContact O-CB 3.42Å; P218-A222 PolarHBondContact O-N 3.08Å; E219-A222 PolarHBondContact O-N 2.77Å; R220-A222 VanDerWaalsContact C-N 3.34Å |
| 223 | S | 83.4 | Confident | 78.8 | Confident | 59 Ų | 59 | 59 Ų | 59 | 41% | 0.413 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -91.8 | -37.8 | -175.9 | 53 | 0 | 0 | 0 | 0 | 115.1 | R191 E219 R220 I221 | R191-S223 PolarHBondContact NH1-O 2.83Å; E219-S223 PolarHBondContact O-N 3Å; E219-S223 VanDerWaalsContact O-N 3.14Å; E219-S223 PolarHBondContact O-OG 3Å; R220-S223 PolarHBondContact O-N 2.96Å; R220-S223 PolarHBondContact O-OG 3.04Å; I221-S223 VanDerWaalsContact C-N 3.32Å; I221-S223 PolarHBondContact O-N 3.04Å |
| 224 | M | 80.2 | Confident | 78.3 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -56.3 | 147.1 | -170.3 | 66.8 | -170.1 | -9 | 0 | 0 | 114.7 | R195 I216 R220 I221 M229 | R195-M224 PolarHBondContact NH1-O 3.21Å; R195-M224 PolarHBondContact NH2-O 2.93Å; I216-M224 HydrophobicContact CG2-SD 4.49Å; R220-M224 HydrophobicContact CG-CE 4.03Å; R220-M224 VanDerWaalsContact O-CB 3.25Å; R220-M224 WeakPolarHBondContact O-CB 3.22Å; R220-M224 VanDerWaalsContact O-CG 3.27Å; R220-M224 WeakPolarHBondContact O-CG 3.47Å; R220-M224 PolarHBondContact O-N 3.2Å; I221-M224 HydrophobicContact CB-SD 4.2Å; I221-M224 HydrophobicContact CG1-SD 4.03Å; M224-M229 HydrophobicContact CE-CG 4.35Å; M224-M229 HydrophobicContact CG-CE 4.5Å; M224-M229 HydrophobicContact CG-CG 3.56Å; M224-M229 HydrophobicContact CG-SD 3.65Å; M224-M229 HydrophobicContact SD-CG 3.31Å; M224-M229 WeakPolarHBondContact SD-CG 3.3Å; M224-M229 HydrophobicContact SD-SD 3.64Å; M224-M229 VanDerWaalsContact SD-SD 3.64Å |
| 225 | T | 76.9 | Confident | 78.1 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 36% | 0.362 | 33% | 0.33 | S | S | . | . | trans | -73.1 | 157 | -177.2 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | E227 E228 M229 | T225-E227 PolarHBondContact O-N 2.6Å; T225-E228 PolarHBondContact N-OE2 3.06Å; T225-E228 PolarHBondContact O-N 3.07Å; T225-E228 WeakPolarHBondContact OG1-CB 3.45Å; T225-E228 WeakPolarHBondContact OG1-CG 3.19Å; T225-E228 PolarHBondContact OG1-N 3.25Å; T225-M229 PolarHBondContact O-N 3.18Å | ||
| 226 | A | 68.5 | Low | 77.8 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 37% | 0.372 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | M229 | A226-M229 HydrophobicContact CB-CE 4.39Š|
| 227 | E | 64.6 | Low | 77.7 | Confident | 147 Ų | 147 | 63.8 Ų | 63.8 | 69% | 0.687 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -37.9 | 176.6 | -65.1 | 170.5 | -173.9 | 0 | 0 | 111.5 | T225 M229 A230 | T225-E227 PolarHBondContact O-N 2.6Å; E227-M229 VanDerWaalsContact C-N 3.27Å; E227-M229 PolarHBondContact O-N 3.03Å; E227-A230 PolarHBondContact O-N 3.4Å |
| 228 | E | 67.3 | Low | 77.5 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 40% | 0.402 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.3 | 176.1 | -75.8 | 169.5 | -175.3 | 0 | 0 | 113.8 | T225 | T225-E228 PolarHBondContact N-OE2 3.06Å; T225-E228 PolarHBondContact O-N 3.07Å; T225-E228 WeakPolarHBondContact OG1-CB 3.45Å; T225-E228 WeakPolarHBondContact OG1-CG 3.19Å; T225-E228 PolarHBondContact OG1-N 3.25Å |
| 229 | M | 65.1 | Low | 77.4 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.02 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -10.1 | 178.6 | -71.2 | -174.1 | -61.4 | 0 | 0 | 114.4 | N198 L207 I221 M224 T225 A226 E227 | N198-M229 HydrophobicContact CB-CB 4.25Å; N198-M229 HydrophobicContact CB-CE 4.05Å; N198-M229 HydrophobicContact CB-SD 4.27Å; L207-M229 HydrophobicContact CD2-CB 4.02Å; L207-M229 HydrophobicContact CD2-CG 4.47Å; I221-M229 HydrophobicContact CG1-SD 4.11Å; M224-M229 HydrophobicContact CE-CG 4.35Å; M224-M229 HydrophobicContact CG-CE 4.5Å; M224-M229 HydrophobicContact CG-CG 3.56Å; M224-M229 HydrophobicContact CG-SD 3.65Å; M224-M229 HydrophobicContact SD-CG 3.31Å; M224-M229 WeakPolarHBondContact SD-CG 3.3Å; M224-M229 HydrophobicContact SD-SD 3.64Å; M224-M229 VanDerWaalsContact SD-SD 3.64Å; T225-M229 PolarHBondContact O-N 3.18Å; A226-M229 HydrophobicContact CB-CE 4.39Å; E227-M229 VanDerWaalsContact C-N 3.27Å; E227-M229 PolarHBondContact O-N 3.03Å |
| 230 | A | 66 | Low | 77.5 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 12% | 0.116 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -62.6 | 158.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E227 A232 | E227-A230 PolarHBondContact O-N 3.4Å; A230-A232 PolarHBondContact O-N 3.11Å |
| 231 | S | 71.1 | Confident | 77.6 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | trans | -52.7 | 142.7 | 176.5 | 64.9 | 0 | 0 | 0 | 0 | 110.8 | N204 E233 L234 K235 | N204-S231 WeakPolarHBondContact ND2-CA 3.28Å; S231-E233 PolarHBondContact O-N 3.08Å; S231-E233 VanDerWaalsContact O-N 3.14Å; S231-L234 PolarHBondContact O-N 3.4Å; S231-L234 WeakPolarHBondContact OG-CB 3.24Å; S231-L234 PolarHBondContact OG-N 2.85Å; S231-K235 WeakPolarHBondContact O-CB 3.36Å; S231-K235 PolarHBondContact O-N 3.34Å | ||
| 232 | A | 69.6 | Low | 77.7 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 60% | 0.595 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -54.6 | -37.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | A230 Q236 | A230-A232 PolarHBondContact O-N 3.11Å; A232-Q236 VanDerWaalsContact O-CG 3.25Å; A232-Q236 WeakPolarHBondContact O-CG 3.3Å; A232-Q236 PolarHBondContact O-N 3.21Å |
| 233 | E | 75.1 | Confident | 77.9 | Confident | 142 Ų | 142 | 76.9 Ų | 76.9 | 66% | 0.664 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.6 | -47.2 | 176.6 | -168.2 | -178.4 | -173.6 | 0 | 0 | 112.4 | S231 K235 Q236 I237 | S231-E233 PolarHBondContact O-N 3.08Å; S231-E233 VanDerWaalsContact O-N 3.14Å; E233-K235 VanDerWaalsContact C-N 3.29Å; E233-K235 PolarHBondContact O-N 2.68Å; E233-Q236 PolarHBondContact O-N 2.95Å; E233-I237 HydrophobicContact CG-CD1 4.16Å; E233-I237 VanDerWaalsContact O-CG1 3.3Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 2.89Å |
| 234 | L | 74.8 | Confident | 78.1 | Confident | 65 Ų | 65 | 78.4 Ų | 78.4 | 34% | 0.34 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.1 | -32.9 | 179.9 | -173.4 | 59.9 | 0 | 0 | 0 | 112 | S231 R238 | S231-L234 PolarHBondContact O-N 3.4Å; S231-L234 WeakPolarHBondContact OG-CB 3.24Å; S231-L234 PolarHBondContact OG-N 2.85Å; L234-R238 WeakPolarHBondContact O-CB 3.46Å; L234-R238 VanDerWaalsContact O-CG 3.3Å; L234-R238 WeakPolarHBondContact O-CG 3.5Å; L234-R238 PolarHBondContact O-N 2.94Å |
| 235 | K | 77.8 | Confident | 78.6 | Confident | 70 Ų | 70 | 79.9 Ų | 79.9 | 30% | 0.304 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62 | -51 | 172.6 | -178.7 | 177.2 | 175.4 | -179.2 | 0 | 110.6 | S231 E233 I237 R238 E239 | S231-K235 WeakPolarHBondContact O-CB 3.36Å; S231-K235 PolarHBondContact O-N 3.34Å; E233-K235 VanDerWaalsContact C-N 3.29Å; E233-K235 PolarHBondContact O-N 2.68Å; K235-I237 VanDerWaalsContact C-N 3.33Å; K235-I237 PolarHBondContact O-N 3.11Å; K235-R238 PolarHBondContact O-N 3.38Å; K235-E239 WeakPolarHBondContact CE-OE1 3.3Å; K235-E239 WeakPolarHBondContact CG-OE1 3.42Å; K235-E239 WeakPolarHBondContact O-CB 3.23Å; K235-E239 WeakPolarHBondContact O-CG 3.5Å; K235-E239 PolarHBondContact O-N 3.02Å |
| 236 | Q | 80.9 | Confident | 79.1 | Confident | 130 Ų | 130 | 81.2 Ų | 81.2 | 61% | 0.607 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.8 | -42 | 177.5 | -73.5 | 172.7 | 13.1 | 0 | 0 | 112.1 | A232 E233 E239 A240 | A232-Q236 VanDerWaalsContact O-CG 3.25Å; A232-Q236 WeakPolarHBondContact O-CG 3.3Å; A232-Q236 PolarHBondContact O-N 3.21Å; E233-Q236 PolarHBondContact O-N 2.95Å; Q236-E239 PolarHBondContact O-N 2.84Å; Q236-A240 VanDerWaalsContact O-CB 3.29Å; Q236-A240 WeakPolarHBondContact O-CB 3.48Å; Q236-A240 PolarHBondContact O-N 2.8Å |
| 237 | I | 84.8 | Confident | 80 | Confident | 80 Ų | 80 | 85.5 Ų | 85.5 | 41% | 0.41 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 177.2 | -68.2 | 165.2 | 0 | 0 | 0 | 111 | E233 K235 E239 A240 L241 | E233-I237 HydrophobicContact CG-CD1 4.16Å; E233-I237 VanDerWaalsContact O-CG1 3.3Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 2.89Å; K235-I237 VanDerWaalsContact C-N 3.33Å; K235-I237 PolarHBondContact O-N 3.11Å; I237-E239 PolarHBondContact O-N 3.49Å; I237-A240 PolarHBondContact O-N 2.95Å; I237-L241 HydrophobicContact CG2-CD1 3.87Å; I237-L241 HydrophobicContact CG2-CG 4.4Å; I237-L241 WeakPolarHBondContact O-CB 3.23Å; I237-L241 WeakPolarHBondContact O-CG 3.44Å; I237-L241 PolarHBondContact O-N 3.47Å |
| 238 | R | 84.3 | Confident | 80.9 | Confident | 121 Ų | 121 | 85.5 Ų | 85.5 | 46% | 0.457 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 178.4 | -73.9 | 173.9 | -177.1 | 160.9 | 0.5 | 111.8 | L234 K235 L241 T242 | L234-R238 WeakPolarHBondContact O-CB 3.46Å; L234-R238 VanDerWaalsContact O-CG 3.3Å; L234-R238 WeakPolarHBondContact O-CG 3.5Å; L234-R238 PolarHBondContact O-N 2.94Å; K235-R238 PolarHBondContact O-N 3.38Å; R238-L241 PolarHBondContact O-N 2.97Å; R238-T242 VanDerWaalsContact O-CB 3.29Å; R238-T242 WeakPolarHBondContact O-CB 3.45Å; R238-T242 PolarHBondContact O-N 3.44Å; R238-T242 PolarHBondContact O-OG1 2.89Å |
| 239 | E | 85.1 | Confident | 81.6 | Confident | 107 Ų | 107 | 88.3 Ų | 88.3 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 177.5 | -74.1 | 174.1 | -174.4 | 0 | 0 | 111.3 | K235 Q236 I237 T242 K243 | K235-E239 WeakPolarHBondContact CE-OE1 3.3Å; K235-E239 WeakPolarHBondContact CG-OE1 3.42Å; K235-E239 WeakPolarHBondContact O-CB 3.23Å; K235-E239 WeakPolarHBondContact O-CG 3.5Å; K235-E239 PolarHBondContact O-N 3.02Å; Q236-E239 PolarHBondContact O-N 2.84Å; I237-E239 PolarHBondContact O-N 3.49Å; E239-T242 PolarHBondContact O-N 2.93Å; E239-K243 WeakPolarHBondContact O-CB 3.43Å; E239-K243 PolarHBondContact O-N 3.08Å |
| 240 | A | 89.6 | Confident | 82.3 | Confident | 45 Ų | 45 | 95.3 Ų | 95.3 | 37% | 0.372 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -51.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q236 I237 T242 K243 E244 | Q236-A240 VanDerWaalsContact O-CB 3.29Å; Q236-A240 WeakPolarHBondContact O-CB 3.48Å; Q236-A240 PolarHBondContact O-N 2.8Å; I237-A240 PolarHBondContact O-N 2.95Å; A240-T242 VanDerWaalsContact C-N 3.34Å; A240-T242 PolarHBondContact O-N 2.82Å; A240-K243 PolarHBondContact O-N 3.43Å; A240-E244 WeakPolarHBondContact O-CB 3.3Å; A240-E244 VanDerWaalsContact O-CG 3.31Å; A240-E244 WeakPolarHBondContact O-CG 3.46Å; A240-E244 PolarHBondContact O-N 3.09Å |
| 241 | L | 89.4 | Confident | 82.7 | Confident | 102 Ų | 102 | 100.7 Ų | 100.7 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 178.7 | -71.5 | 173.3 | 0 | 0 | 0 | 112.4 | I237 R238 E244 S245 | I237-L241 HydrophobicContact CG2-CD1 3.87Å; I237-L241 HydrophobicContact CG2-CG 4.4Å; I237-L241 WeakPolarHBondContact O-CB 3.23Å; I237-L241 WeakPolarHBondContact O-CG 3.44Å; I237-L241 PolarHBondContact O-N 3.47Å; R238-L241 PolarHBondContact O-N 2.97Å; L241-E244 PolarHBondContact O-N 3.4Å; L241-S245 VanDerWaalsContact O-CB 3.29Å; L241-S245 WeakPolarHBondContact O-CB 3.39Å; L241-S245 PolarHBondContact O-N 2.95Å |
| 242 | T | 90.1 | Very high | 82.2 | Confident | 81 Ų | 81 | 104.5 Ų | 104.5 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 177.3 | -54.7 | 0 | 0 | 0 | 0 | 110.4 | R238 E239 A240 S245 I246 | R238-T242 VanDerWaalsContact O-CB 3.29Å; R238-T242 WeakPolarHBondContact O-CB 3.45Å; R238-T242 PolarHBondContact O-N 3.44Å; R238-T242 PolarHBondContact O-OG1 2.89Å; E239-T242 PolarHBondContact O-N 2.93Å; A240-T242 VanDerWaalsContact C-N 3.34Å; A240-T242 PolarHBondContact O-N 2.82Å; T242-S245 PolarHBondContact O-N 2.87Å; T242-I246 HydrophobicContact CG2-CD1 3.99Å; T242-I246 WeakPolarHBondContact O-CD1 3.37Å; T242-I246 VanDerWaalsContact O-CG1 3.23Å; T242-I246 WeakPolarHBondContact O-CG1 3.2Å; T242-I246 PolarHBondContact O-N 3.42Å |
| 243 | K | 90.8 | Very high | 82 | Confident | 140 Ų | 140 | 110 Ų | 110 | 61% | 0.609 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.4 | -38.7 | 177.7 | -174.9 | 175.2 | -178 | 178.2 | 0 | 112.1 | E239 A240 R247 | E239-K243 WeakPolarHBondContact O-CB 3.43Å; E239-K243 PolarHBondContact O-N 3.08Å; A240-K243 PolarHBondContact O-N 3.43Å; K243-R247 WeakPolarHBondContact O-CB 3.3Å; K243-R247 PolarHBondContact O-N 3.01Å |
| 244 | E | 88.3 | Confident | 81.6 | Confident | 91 Ų | 91 | 108 Ų | 108 | 43% | 0.425 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 174.4 | -76.9 | 176.6 | 173.9 | 0 | 0 | 111.4 | A240 L241 I246 R247 E248 | A240-E244 WeakPolarHBondContact O-CB 3.3Å; A240-E244 VanDerWaalsContact O-CG 3.31Å; A240-E244 WeakPolarHBondContact O-CG 3.46Å; A240-E244 PolarHBondContact O-N 3.09Å; L241-E244 PolarHBondContact O-N 3.4Å; E244-I246 VanDerWaalsContact C-N 3.33Å; E244-I246 PolarHBondContact O-N 3.38Å; E244-R247 WeakPolarHBondContact O-CB 2.97Å; E244-R247 PolarHBondContact O-N 3.22Å; E244-R247 VanDerWaalsContact O-N 3.1Å; E244-E248 WeakPolarHBondContact O-CG 3.43Å; E244-E248 PolarHBondContact O-N 3.4Å |
| 245 | S | 90.1 | Very high | 81.4 | Confident | 51 Ų | 51 | 108.1 Ų | 108.1 | 36% | 0.357 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.6 | -45.6 | 175.8 | -171.1 | 0 | 0 | 0 | 0 | 111.3 | L241 T242 R247 E248 H249 | L241-S245 VanDerWaalsContact O-CB 3.29Å; L241-S245 WeakPolarHBondContact O-CB 3.39Å; L241-S245 PolarHBondContact O-N 2.95Å; T242-S245 PolarHBondContact O-N 2.87Å; S245-R247 VanDerWaalsContact C-N 3.33Å; S245-R247 PolarHBondContact O-N 3.08Å; S245-E248 PolarHBondContact O-N 3.13Å; S245-H249 WeakPolarHBondContact O-CB 3.41Å; S245-H249 PolarHBondContact O-N 3.18Å; S245-H249 PolarHBondContact O-ND1 3.04Å; S245-H249 PolarHBondContact OG-CE1 2.94Å; S245-H249 PolarHBondContact OG-ND1 2.7Å |
| 246 | I | 87.8 | Confident | 81.4 | Confident | 88 Ų | 88 | 106.5 Ų | 106.5 | 45% | 0.451 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.2 | -45.1 | 175.3 | -68.4 | 163.9 | 0 | 0 | 0 | 110.6 | T242 E244 E248 H249 Q250 | T242-I246 HydrophobicContact CG2-CD1 3.99Å; T242-I246 WeakPolarHBondContact O-CD1 3.37Å; T242-I246 VanDerWaalsContact O-CG1 3.23Å; T242-I246 WeakPolarHBondContact O-CG1 3.2Å; T242-I246 PolarHBondContact O-N 3.42Å; E244-I246 VanDerWaalsContact C-N 3.33Å; E244-I246 PolarHBondContact O-N 3.38Å; I246-E248 PolarHBondContact O-N 2.84Å; I246-H249 PolarHBondContact O-N 3.01Å; I246-Q250 HydrophobicContact CG2-CG 4.29Å; I246-Q250 WeakPolarHBondContact O-CB 3.12Å; I246-Q250 VanDerWaalsContact O-CG 3.28Å; I246-Q250 WeakPolarHBondContact O-CG 3.4Å; I246-Q250 PolarHBondContact O-N 2.95Å |
| 247 | R | 87.6 | Confident | 81.4 | Confident | 135 Ų | 135 | 103.7 Ų | 103.7 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 179.4 | -169.3 | -167.3 | -57.8 | 127.1 | 0.2 | 111.6 | K243 E244 S245 Q250 L251 | K243-R247 WeakPolarHBondContact O-CB 3.3Å; K243-R247 PolarHBondContact O-N 3.01Å; E244-R247 WeakPolarHBondContact O-CB 2.97Å; E244-R247 PolarHBondContact O-N 3.22Å; E244-R247 VanDerWaalsContact O-N 3.1Å; S245-R247 VanDerWaalsContact C-N 3.33Å; S245-R247 PolarHBondContact O-N 3.08Å; R247-Q250 PolarHBondContact O-N 3.45Å; R247-L251 PolarHBondContact O-N 3.14Å; R247-L251 VanDerWaalsContact O-N 3.14Å |
| 248 | E | 83.3 | Confident | 81.5 | Confident | 147 Ų | 147 | 107.3 Ų | 107.3 | 69% | 0.687 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.6 | -43.8 | 176.5 | -74.8 | -174 | 164.3 | 0 | 0 | 111.8 | E244 S245 I246 Q250 L251 | E244-E248 WeakPolarHBondContact O-CG 3.43Å; E244-E248 PolarHBondContact O-N 3.4Å; S245-E248 PolarHBondContact O-N 3.13Å; I246-E248 PolarHBondContact O-N 2.84Å; E248-Q250 VanDerWaalsContact C-N 3.35Å; E248-Q250 PolarHBondContact O-N 3.33Å; E248-L251 PolarHBondContact O-N 2.9Å |
| 249 | H | 82.8 | Confident | 81.5 | Confident | 144 Ų | 144 | 102.2 Ų | 102.2 | 67% | 0.667 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.1 | -35.4 | 178.5 | -77.1 | 80.2 | 0 | 0 | 0 | 112.5 | S245 I246 L251 | S245-H249 WeakPolarHBondContact O-CB 3.41Å; S245-H249 PolarHBondContact O-N 3.18Å; S245-H249 PolarHBondContact O-ND1 3.04Å; S245-H249 PolarHBondContact OG-CE1 2.94Å; S245-H249 PolarHBondContact OG-ND1 2.7Å; I246-H249 PolarHBondContact O-N 3.01Å; H249-L251 VanDerWaalsContact C-N 3.27Å; H249-L251 PolarHBondContact O-N 3.3Å |
| 250 | Q | 78.4 | Confident | 81.6 | Confident | 152 Ų | 152 | 102.8 Ų | 102.8 | 71% | 0.71 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.3 | -28.4 | 175 | -75.6 | 177.9 | -13.3 | 0 | 0 | 112.3 | I246 R247 E248 S252 | I246-Q250 HydrophobicContact CG2-CG 4.29Å; I246-Q250 WeakPolarHBondContact O-CB 3.12Å; I246-Q250 VanDerWaalsContact O-CG 3.28Å; I246-Q250 WeakPolarHBondContact O-CG 3.4Å; I246-Q250 PolarHBondContact O-N 2.95Å; R247-Q250 PolarHBondContact O-N 3.45Å; E248-Q250 VanDerWaalsContact C-N 3.35Å; E248-Q250 PolarHBondContact O-N 3.33Å; Q250-S252 VanDerWaalsContact C-N 3.27Å; Q250-S252 PolarHBondContact O-N 2.75Å |
| 251 | L | 74.4 | Confident | 81.4 | Confident | 126 Ų | 126 | 105.5 Ų | 105.5 | 66% | 0.66 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -83.8 | 69.7 | 176.9 | -145.2 | 79.4 | 0 | 0 | 0 | 110 | R247 E248 H249 K253 | R247-L251 PolarHBondContact O-N 3.14Å; R247-L251 VanDerWaalsContact O-N 3.14Å; E248-L251 PolarHBondContact O-N 2.9Å; H249-L251 VanDerWaalsContact C-N 3.27Å; H249-L251 PolarHBondContact O-N 3.3Å; L251-K253 PolarHBondContact O-N 3.43Å |
| 252 | S | 61.4 | Low | 81.2 | Confident | 105 Ų | 105 | 102 Ų | 102 | 73% | 0.734 | 54% | 0.539 | S | S | * | . | trans | -56.8 | 101.4 | 167.1 | -91.4 | 0 | 0 | 0 | 0 | 109.4 | Q250 V254 | Q250-S252 VanDerWaalsContact C-N 3.27Å; Q250-S252 PolarHBondContact O-N 2.75Å; S252-V254 PolarHBondContact O-N 3.01Å; S252-V254 VanDerWaalsContact O-N 3.12Å | ||
| 253 | K | 66.1 | Low | 81.1 | Confident | 188 Ų | 188 | 102.9 Ų | 102.9 | 82% | 0.817 | 54% | 0.539 | S | S | * | . | trans | -61.4 | 115.8 | 168.4 | -70.6 | -176 | 179 | 180 | 0 | 106.8 | L251 G255 | L251-K253 PolarHBondContact O-N 3.43Å; K253-G255 PolarHBondContact O-N 2.98Å | ||
| 254 | V | 66.6 | Low | 81.1 | Confident | 99 Ų | 99 | 96.2 Ų | 96.2 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | trans | -57.6 | 116.6 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | S252 G256 L291 | S252-V254 PolarHBondContact O-N 3.01Å; S252-V254 VanDerWaalsContact O-N 3.12Å; V254-G256 PolarHBondContact O-N 3.05Å; V254-L291 HydrophobicContact CG1-CD2 4.29Å | ||
| 255 | G | 70.8 | Confident | 81 | Confident | 69 Ų | 69 | 96.1 Ų | 96.1 | 71% | 0.711 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -58.1 | 121.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K253 | K253-G255 PolarHBondContact O-N 2.98Š|
| 256 | G | 76.5 | Confident | 80.8 | Confident | 36 Ų | 36 | 101.5 Ų | 101.5 | 37% | 0.371 | 54% | 0.537 | S | S | . | . | S | Bend | trans | 162.3 | 154.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V254 | V254-G256 PolarHBondContact O-N 3.05Š|
| 257 | T | 82 | Confident | 80.9 | Confident | 71 Ų | 71 | 100.1 Ų | 100.1 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 116.7 | 171.5 | 39 | 0 | 0 | 0 | 0 | 108.7 | T273 Y274 | T257-T273 WeakPolarHBondContact O-CA 3.47Å; T257-Y274 PolarHBondContact N-O 3.23Å; T257-Y274 VanDerWaalsContact O-CD1 3.3Å; T257-Y274 WeakPolarHBondContact O-CD1 3.44Å; T257-Y274 PolarHBondContact O-N 3.35Å; T257-Y274 WeakPolarHBondContact OG1-CD1 3.21Å; T257-Y274 WeakPolarHBondContact OG1-CE1 3.46Å; T257-Y274 PolarHBondContact OG1-O 3.08Å; T257-Y274 VanDerWaalsContact OG1-O 3.14Å |
| 258 | E | 86.3 | Confident | 80.9 | Confident | 155 Ų | 155 | 100.7 Ų | 100.7 | 72% | 0.724 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 135.4 | 174 | -65.6 | 179 | -179.5 | 0 | 0 | 109.9 | T273 | E258-T273 HydrophobicContact CG-CG2 3.84Å |
| 259 | T | 84.8 | Confident | 81 | Confident | 15 Ų | 15 | 95 Ų | 95 | 9% | 0.092 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 135.8 | -176.3 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | M261 F262 C272 Y274 | T259-M261 VanDerWaalsContact C-N 3.33Å; T259-M261 WeakPolarHBondContact OG1-CB 3.23Å; T259-M261 VanDerWaalsContact OG1-CG 3.25Å; T259-M261 WeakPolarHBondContact OG1-CG 3.4Å; T259-M261 PolarHBondContact OG1-N 3.47Å; T259-F262 HydrophobicContact CG2-CD2 3.78Å; T259-F262 HydrophobicContact CG2-CE2 4.2Å; T259-C272 WeakPolarHBondContact CG2-O 3.39Å; T259-C272 PolarHBondContact N-O 3.17Å; T259-C272 PolarHBondContact O-N 2.98Å; T259-Y274 HydrophobicContact CG2-CD1 3.42Å; T259-Y274 VanDerWaalsContact CG2-CD1 3.42Å; T259-Y274 HydrophobicContact CG2-CE1 4.22Å; T259-Y274 HydrophobicContact CG2-CG 4.22Å |
| 260 | D | 85.7 | Confident | 81.3 | Confident | 118 Ų | 118 | 93.9 Ų | 93.9 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -92.6 | 6 | 173.6 | -68 | -29.5 | 0 | 0 | 0 | 113 | F262 K270 | D260-F262 VanDerWaalsContact C-N 3.26Å; D260-F262 PolarHBondContact O-N 3.25Å; D260-K270 HydrophobicContact CB-CB 4.23Å |
| 261 | M | 85.6 | Confident | 81.7 | Confident | 103 Ų | 103 | 90.7 Ų | 90.7 | 51% | 0.507 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -75.7 | -17.6 | -174.4 | -60.1 | 177.4 | 81 | 0 | 0 | 112.8 | T259 F309 | T259-M261 VanDerWaalsContact C-N 3.33Å; T259-M261 WeakPolarHBondContact OG1-CB 3.23Å; T259-M261 VanDerWaalsContact OG1-CG 3.25Å; T259-M261 WeakPolarHBondContact OG1-CG 3.4Å; T259-M261 PolarHBondContact OG1-N 3.47Å; M261-F309 HydrophobicContact CE-CD2 3.91Å; M261-F309 HydrophobicContact CE-CE2 3.08Å; M261-F309 HydrophobicContact CE-CZ 3.51Å; M261-F309 HydrophobicContact SD-CE2 3.54Å; M261-F309 VanDerWaalsContact SD-CE2 3.54Å; M261-F309 HydrophobicContact SD-CZ 3.49Å; M261-F309 WeakPolarHBondContact SD-CZ 3.32Å |
| 262 | F | 85.4 | Confident | 82.4 | Confident | 29 Ų | 29 | 84.7 Ų | 84.7 | 13% | 0.127 | 47% | 0.473 | C | S | . | . | trans | -115.2 | 136.8 | -178.6 | -59.6 | -71.7 | 0 | 0 | 0 | 110.6 | T259 D260 C272 V290 W299 V301 | T259-F262 HydrophobicContact CG2-CD2 3.78Å; T259-F262 HydrophobicContact CG2-CE2 4.2Å; D260-F262 VanDerWaalsContact C-N 3.26Å; D260-F262 PolarHBondContact O-N 3.25Å; F262-C272 HydrophobicContact CB-CB 4.35Å; F262-C272 PolarHBondContact O-SG 3.47Å; F262-C272 VanDerWaalsContact O-SG 3.35Å; F262-V290 HydrophobicContact CB-CG1 3.92Å; F262-V290 HydrophobicContact CD1-CG2 4.22Å; F262-V290 HydrophobicContact CD2-CB 4.47Å; F262-V290 HydrophobicContact CD2-CG1 3.93Å; F262-V290 HydrophobicContact CD2-CG2 3.63Å; F262-V290 HydrophobicContact CE1-CG2 4.25Å; F262-V290 HydrophobicContact CE2-CG2 3.67Å; F262-V290 HydrophobicContact CG-CG1 4.02Å; F262-V290 HydrophobicContact CG-CG2 3.93Å; F262-V290 HydrophobicContact CZ-CG2 3.99Å; F262-W299 HydrophobicContact CB-CZ2 4.08Å; F262-V301 HydrophobicContact CD1-CG2 4.32Å; F262-V301 HydrophobicContact CE1-CG1 4.39Å; F262-V301 HydrophobicContact CE1-CG2 3.65Å; F262-V301 HydrophobicContact CZ-CG2 3.96Å | ||
| 263 | I | 88.7 | Confident | 83.7 | Confident | 98 Ų | 98 | 80 Ų | 80 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | trans | -104.9 | 123.9 | 178 | -58.6 | 172.9 | 0 | 0 | 0 | 108 | S265 K270 | I263-S265 PolarHBondContact O-N 3.29Å; I263-K270 HydrophobicContact CG1-CG 4.11Å | ||
| 264 | C | 89.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 41% | 0.411 | C | S | . | . | trans | -62.1 | 123.3 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 108.7 | K266 C267 H268 G269 C292 C295 W299 | C264-K266 PolarHBondContact O-N 3.16Å; C264-K266 VanDerWaalsContact O-N 3.15Å; C264-K266 VanDerWaalsContact SG-CB 3.56Å; C264-K266 PolarHBondContact SG-N 3.01Å; C264-C267 VanDerWaalsContact CB-SG 3.52Å; C264-C267 PolarHBondContact SG-N 3.2Å; C264-C267 VanDerWaalsContact SG-N 3.38Å; C264-C267 PolarHBondContact SG-SG 3.42Å; C264-H268 WeakPolarHBondContact O-CA 3.48Å; C264-H268 PolarHBondContact O-N 3.27Å; C264-G269 PolarHBondContact N-O 3.22Å; C264-C292 HydrophobicContact CB-CB 3.67Å; C264-C292 WeakPolarHBondContact CB-SG 3.28Å; C264-C295 WeakPolarHBondContact CB-SG 3.48Å; C264-C295 WeakPolarHBondContact SG-CB 3.38Å; C264-C295 CovalentContact SG-SG 2.12Å; C264-C295 PolarHBondContact SG-SG 2.88Å; C264-W299 HydrophobicContact CB-CH2 4.26Å; C264-W299 HydrophobicContact CB-CZ3 4.49Å | ||
| 265 | S | 87.1 | Confident | 85.8 | Confident | 90 Ų | 90 | 72 Ų | 72 | 63% | 0.629 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.1 | 176.1 | 54.6 | 0 | 0 | 0 | 0 | 114 | I263 | I263-S265 PolarHBondContact O-N 3.29Š|
| 266 | K | 87.1 | Confident | 86.5 | Confident | 164 Ų | 164 | 72.9 Ų | 72.9 | 71% | 0.713 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -36.9 | -174.7 | -152 | -178.3 | -172.9 | -171 | 0 | 113.7 | C264 C295 | C264-K266 PolarHBondContact O-N 3.16Å; C264-K266 VanDerWaalsContact O-N 3.15Å; C264-K266 VanDerWaalsContact SG-CB 3.56Å; C264-K266 PolarHBondContact SG-N 3.01Å; K266-C295 HydrophobicContact CB-CB 4.45Å |
| 267 | C | 89.3 | Confident | 86.9 | Confident | 59 Ų | 59 | 74.1 Ų | 74.1 | 40% | 0.399 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -2.1 | 179.8 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | C264 G269 C295 | C264-C267 VanDerWaalsContact CB-SG 3.52Å; C264-C267 PolarHBondContact SG-N 3.2Å; C264-C267 VanDerWaalsContact SG-N 3.38Å; C264-C267 PolarHBondContact SG-SG 3.42Å; C267-G269 PolarHBondContact O-N 2.9Å; C267-C295 HydrophobicContact CB-CB 3.81Å; C267-C295 VanDerWaalsContact SG-CB 3.55Å |
| 268 | H | 87.3 | Confident | 86.9 | Confident | 146 Ų | 146 | 76.9 Ų | 76.9 | 68% | 0.676 | 40% | 0.395 | S | S | * | . | trans | 57.2 | 9.6 | -176.3 | -60.3 | -84.6 | 0 | 0 | 0 | 115.6 | C264 | C264-H268 WeakPolarHBondContact O-CA 3.48Å; C264-H268 PolarHBondContact O-N 3.27Å | ||
| 269 | G | 85.9 | Confident | 86.2 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 28% | 0.278 | 38% | 0.383 | S | S | . | . | trans | -74.2 | 149.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C264 C267 | C264-G269 PolarHBondContact N-O 3.22Å; C267-G269 PolarHBondContact O-N 2.9Å | ||
| 270 | K | 87.9 | Confident | 85.9 | Confident | 121 Ų | 121 | 79.4 Ų | 79.4 | 53% | 0.526 | 41% | 0.405 | S | S | . | . | trans | -92.2 | -13.4 | 177.3 | -68.2 | 178.9 | -177.1 | 178.7 | 0 | 114.1 | D260 I263 C272 | D260-K270 HydrophobicContact CB-CB 4.23Å; I263-K270 HydrophobicContact CG1-CG 4.11Å; K270-C272 VanDerWaalsContact C-N 3.34Å; K270-C272 PolarHBondContact O-N 3.34Å | ||
| 271 | N | 87.8 | Confident | 85.5 | Confident | 86 Ų | 86 | 78.1 Ų | 78.1 | 46% | 0.46 | 41% | 0.405 | S | S | . | . | trans | -69.4 | 87.3 | 179.2 | -173.3 | -1.5 | 0 | 0 | 0 | 111 | C292 N293 | N271-C292 PolarHBondContact O-SG 3.13Å; N271-N293 PolarHBondContact O-N 3.01Å; N271-N293 PolarHBondContact OD1-ND2 3.39Å | ||
| 272 | C | 88.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.5 | -179.5 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | T259 F262 K270 V290 L291 | T259-C272 WeakPolarHBondContact CG2-O 3.39Å; T259-C272 PolarHBondContact N-O 3.17Å; T259-C272 PolarHBondContact O-N 2.98Å; F262-C272 HydrophobicContact CB-CB 4.35Å; F262-C272 PolarHBondContact O-SG 3.47Å; F262-C272 VanDerWaalsContact O-SG 3.35Å; K270-C272 VanDerWaalsContact C-N 3.34Å; K270-C272 PolarHBondContact O-N 3.34Å; C272-V290 HydrophobicContact CB-CG1 3.75Å; C272-L291 CarbonylContact C-O 3.57Å; C272-L291 VanDerWaalsContact CA-O 3.26Å; C272-L291 WeakPolarHBondContact CA-O 3.32Å |
| 273 | T | 89.9 | Confident | 84.6 | Confident | 5 Ų | 5 | 83.5 Ų | 83.5 | 3% | 0.031 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.3 | 170.2 | 42.5 | 0 | 0 | 0 | 0 | 109.2 | T257 E258 V290 L291 N293 | T257-T273 WeakPolarHBondContact O-CA 3.47Å; E258-T273 HydrophobicContact CG-CG2 3.84Å; T273-V290 CarbonylContact O-C 3.56Å; T273-V290 WeakPolarHBondContact O-CA 3.29Å; T273-L291 PolarHBondContact N-O 3.47Å; T273-L291 PolarHBondContact O-N 3.07Å; T273-L291 PolarHBondContact OG1-O 2.86Å; T273-N293 WeakPolarHBondContact CG2-ND2 3.41Å; T273-N293 PolarHBondContact OG1-OD1 3.47Å; T273-N293 VanDerWaalsContact OG1-OD1 3.08Å |
| 274 | Y | 89.1 | Confident | 83.9 | Confident | 55 Ų | 55 | 81.9 Ų | 81.9 | 22% | 0.216 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 149.7 | 173.4 | 81 | -81.7 | 0 | 0 | 0 | 111.8 | T257 T259 Q276 T288 F289 | T257-Y274 PolarHBondContact N-O 3.23Å; T257-Y274 VanDerWaalsContact O-CD1 3.3Å; T257-Y274 WeakPolarHBondContact O-CD1 3.44Å; T257-Y274 PolarHBondContact O-N 3.35Å; T257-Y274 WeakPolarHBondContact OG1-CD1 3.21Å; T257-Y274 WeakPolarHBondContact OG1-CE1 3.46Å; T257-Y274 PolarHBondContact OG1-O 3.08Å; T257-Y274 VanDerWaalsContact OG1-O 3.14Å; T259-Y274 HydrophobicContact CG2-CD1 3.42Å; T259-Y274 VanDerWaalsContact CG2-CD1 3.42Å; T259-Y274 HydrophobicContact CG2-CE1 4.22Å; T259-Y274 HydrophobicContact CG2-CG 4.22Å; Y274-Q276 HydrophobicContact CD2-CG 4.15Å; Y274-Q276 HydrophobicContact CE2-CG 4.19Å; Y274-T288 HydrophobicContact CD2-CG2 3.97Å; Y274-T288 HydrophobicContact CG-CG2 4.43Å; Y274-F289 CarbonylContact C-O 3.47Å; Y274-F289 VanDerWaalsContact CA-O 3.26Å; Y274-F289 WeakPolarHBondContact CA-O 3.49Å |
| 275 | T | 87.6 | Confident | 83.1 | Confident | 64 Ų | 64 | 85.6 Ų | 85.6 | 39% | 0.393 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 127.5 | 173.6 | -50.6 | 0 | 0 | 0 | 0 | 108.6 | V277 F289 | T275-V277 HydrophobicContact CG2-CG2 3.96Å; T275-F289 PolarHBondContact N-O 3.21Å; T275-F289 PolarHBondContact O-N 2.99Å |
| 276 | Q | 84.6 | Confident | 82.8 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 42% | 0.416 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.9 | 176.6 | -70.3 | 172.2 | -23.4 | 0 | 0 | 108.9 | Y274 M286 T287 T288 | Y274-Q276 HydrophobicContact CD2-CG 4.15Å; Y274-Q276 HydrophobicContact CE2-CG 4.19Å; Q276-M286 HydrophobicContact CB-CG 4.43Å; Q276-M286 HydrophobicContact CB-SD 3.73Å; Q276-M286 HydrophobicContact CG-SD 3.9Å; Q276-M286 PolarHBondContact OE1-SD 3.16Å; Q276-T287 WeakPolarHBondContact CA-O 3.45Å; Q276-T288 HydrophobicContact CG-CG2 4.29Å |
| 277 | V | 84.3 | Confident | 82.8 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 38% | 0.376 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.5 | 178.6 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | T275 T279 T287 F289 | T275-V277 HydrophobicContact CG2-CG2 3.96Å; V277-T279 HydrophobicContact CB-CG2 4.25Å; V277-T279 HydrophobicContact CG1-CG2 3.88Å; V277-T279 PolarHBondContact O-N 3.25Å; V277-T287 PolarHBondContact N-O 3.04Å; V277-T287 WeakPolarHBondContact O-CB 3.36Å; V277-T287 PolarHBondContact O-N 2.98Å; V277-F289 HydrophobicContact CB-CD2 4.29Å; V277-F289 HydrophobicContact CB-CE2 4.12Å; V277-F289 HydrophobicContact CG2-CD2 4.23Å; V277-F289 HydrophobicContact CG2-CE2 4.47Å |
| 278 | Q | 82.9 | Confident | 82.7 | Confident | 128 Ų | 128 | 77.1 Ų | 77.1 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | trans | -82.1 | 92.2 | 171.5 | -170.7 | 173.7 | 19.1 | 0 | 0 | 109 | ||||
| 279 | T | 72.4 | Confident | 82.8 | Confident | 76 Ų | 76 | 72.2 Ų | 72.2 | 47% | 0.466 | 39% | 0.391 | S | S | . | . | trans | -91.3 | 2.7 | -176.9 | 46 | 0 | 0 | 0 | 0 | 114.2 | V277 F289 | V277-T279 HydrophobicContact CB-CG2 4.25Å; V277-T279 HydrophobicContact CG1-CG2 3.88Å; V277-T279 PolarHBondContact O-N 3.25Å; T279-F289 HydrophobicContact CG2-CE2 3.99Å; T279-F289 HydrophobicContact CG2-CZ 4.15Å | ||
| 280 | R | 78 | Confident | 82.9 | Confident | 148 Ų | 148 | 71 Ų | 71 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -143.3 | 170.5 | -172.5 | -68 | -174.7 | 170.6 | -151.2 | -3.3 | 111 | E284 | R280-E284 HydrophobicContact CB-CB 4.17Å; R280-E284 VanDerWaalsContact CD-CD 3.41Å; R280-E284 WeakPolarHBondContact CD-OE1 3.47Å; R280-E284 WeakPolarHBondContact CD-OE2 3.39Å; R280-E284 IonicContact NE-OE2 2.94Å; R280-E284 IonicContact NH1-OE1 3.65Å; R280-E284 PolarHBondContact NH1-OE1 3.23Å; R280-E284 IonicContact NH1-OE2 3.59Å; R280-E284 PolarHBondContact NH1-OE2 3.04Å |
| 281 | S | 76.8 | Confident | 83 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | trans | -48.7 | 159.5 | -178.9 | -46.4 | 0 | 0 | 0 | 0 | 113.3 | D283 E284 | S281-D283 PolarHBondContact O-N 3.27Å; S281-E284 PolarHBondContact O-N 3.03Å | ||
| 282 | A | 70.4 | Confident | 83.1 | Confident | 88 Ų | 88 | 63.7 Ų | 63.7 | 73% | 0.727 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -25.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E284 | A282-E284 VanDerWaalsContact C-N 3.3Å; A282-E284 PolarHBondContact O-N 3.48Å |
| 283 | D | 80.8 | Confident | 83 | Confident | 156 Ų | 156 | 66.5 Ų | 66.5 | 83% | 0.834 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -5.5 | -179 | -53.3 | -48.1 | 0 | 0 | 0 | 114.3 | S281 | S281-D283 PolarHBondContact O-N 3.27Š|
| 284 | E | 73.9 | Confident | 82.8 | Confident | 65 Ų | 65 | 69.4 Ų | 69.4 | 30% | 0.304 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -109.4 | 130.1 | 174.4 | -69.6 | -164.2 | -150.8 | 0 | 0 | 112.5 | R280 S281 A282 R303 | R280-E284 HydrophobicContact CB-CB 4.17Å; R280-E284 VanDerWaalsContact CD-CD 3.41Å; R280-E284 WeakPolarHBondContact CD-OE1 3.47Å; R280-E284 WeakPolarHBondContact CD-OE2 3.39Å; R280-E284 IonicContact NE-OE2 2.94Å; R280-E284 IonicContact NH1-OE1 3.65Å; R280-E284 PolarHBondContact NH1-OE1 3.23Å; R280-E284 IonicContact NH1-OE2 3.59Å; R280-E284 PolarHBondContact NH1-OE2 3.04Å; S281-E284 PolarHBondContact O-N 3.03Å; A282-E284 VanDerWaalsContact C-N 3.3Å; A282-E284 PolarHBondContact O-N 3.48Å; E284-R303 IonicContact OE2-NH2 2.7Å |
| 285 | P | 74.6 | Confident | 82.8 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 153 | 175.8 | 25.1 | -36.8 | 0 | 0 | 0 | 112.3 | ||
| 286 | M | 80.9 | Confident | 82.7 | Confident | 109 Ų | 109 | 68 Ų | 68 | 54% | 0.537 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 142.3 | 179.7 | 65.4 | 178.8 | 75.1 | 0 | 0 | 112.8 | Q276 | Q276-M286 HydrophobicContact CB-CG 4.43Å; Q276-M286 HydrophobicContact CB-SD 3.73Å; Q276-M286 HydrophobicContact CG-SD 3.9Å; Q276-M286 PolarHBondContact OE1-SD 3.16Å |
| 287 | T | 85.9 | Confident | 82.9 | Confident | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.067 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.8 | 177.7 | -71.6 | 0 | 0 | 0 | 0 | 110.3 | Q276 V277 F289 K300 | Q276-T287 WeakPolarHBondContact CA-O 3.45Å; V277-T287 PolarHBondContact N-O 3.04Å; V277-T287 WeakPolarHBondContact O-CB 3.36Å; V277-T287 PolarHBondContact O-N 2.98Å; T287-F289 HydrophobicContact CG2-CD2 4.05Å; T287-F289 HydrophobicContact CG2-CE1 4.37Å; T287-F289 HydrophobicContact CG2-CE2 3.58Å; T287-F289 HydrophobicContact CG2-CZ 3.77Å; T287-K300 HydrophobicContact CG2-CD 3.39Å; T287-K300 HydrophobicContact CG2-CG 3.62Å; T287-K300 VanDerWaalsContact CG2-NZ 3.3Å; T287-K300 PolarHBondContact OG1-NZ 3.26Å |
| 288 | T | 87.2 | Confident | 83.1 | Confident | 15 Ų | 15 | 71 Ų | 71 | 9% | 0.092 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 118.6 | 171.8 | -49.6 | 0 | 0 | 0 | 0 | 110.9 | Y274 Q276 V290 V301 | Y274-T288 HydrophobicContact CD2-CG2 3.97Å; Y274-T288 HydrophobicContact CG-CG2 4.43Å; Q276-T288 HydrophobicContact CG-CG2 4.29Å; T288-V290 HydrophobicContact CG2-CG2 4.24Å; T288-V301 HydrophobicContact CG2-CG2 4.42Å; T288-V301 PolarHBondContact O-N 3.18Å |
| 289 | F | 88.6 | Confident | 83.4 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 19% | 0.193 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 135 | 166.9 | -65.8 | -86.2 | 0 | 0 | 0 | 109.2 | Y274 T275 V277 T279 T287 K300 | Y274-F289 CarbonylContact C-O 3.47Å; Y274-F289 VanDerWaalsContact CA-O 3.26Å; Y274-F289 WeakPolarHBondContact CA-O 3.49Å; T275-F289 PolarHBondContact N-O 3.21Å; T275-F289 PolarHBondContact O-N 2.99Å; V277-F289 HydrophobicContact CB-CD2 4.29Å; V277-F289 HydrophobicContact CB-CE2 4.12Å; V277-F289 HydrophobicContact CG2-CD2 4.23Å; V277-F289 HydrophobicContact CG2-CE2 4.47Å; T279-F289 HydrophobicContact CG2-CE2 3.99Å; T279-F289 HydrophobicContact CG2-CZ 4.15Å; T287-F289 HydrophobicContact CG2-CD2 4.05Å; T287-F289 HydrophobicContact CG2-CE1 4.37Å; T287-F289 HydrophobicContact CG2-CE2 3.58Å; T287-F289 HydrophobicContact CG2-CZ 3.77Å; F289-K300 HydrophobicContact CD1-CB 4.45Å; F289-K300 HydrophobicContact CE1-CB 4.42Å |
| 290 | V | 89.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.2 | 176.8 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | F262 C272 T273 T288 R298 W299 V301 | F262-V290 HydrophobicContact CB-CG1 3.92Å; F262-V290 HydrophobicContact CD1-CG2 4.22Å; F262-V290 HydrophobicContact CD2-CB 4.47Å; F262-V290 HydrophobicContact CD2-CG1 3.93Å; F262-V290 HydrophobicContact CD2-CG2 3.63Å; F262-V290 HydrophobicContact CE1-CG2 4.25Å; F262-V290 HydrophobicContact CE2-CG2 3.67Å; F262-V290 HydrophobicContact CG-CG1 4.02Å; F262-V290 HydrophobicContact CG-CG2 3.93Å; F262-V290 HydrophobicContact CZ-CG2 3.99Å; C272-V290 HydrophobicContact CB-CG1 3.75Å; T273-V290 CarbonylContact O-C 3.56Å; T273-V290 WeakPolarHBondContact O-CA 3.29Å; T288-V290 HydrophobicContact CG2-CG2 4.24Å; V290-R298 CarbonylContact O-C 3.53Å; V290-R298 VanDerWaalsContact O-CA 3.27Å; V290-R298 WeakPolarHBondContact O-CA 3.31Å; V290-W299 HydrophobicContact CB-CD2 4.22Å; V290-W299 HydrophobicContact CB-CH2 4.43Å; V290-W299 HydrophobicContact CB-CZ2 3.97Å; V290-W299 HydrophobicContact CG1-CH2 3.71Å; V290-W299 HydrophobicContact CG1-CZ2 3.5Å; V290-W299 HydrophobicContact CG1-CZ3 4.32Å; V290-W299 PolarHBondContact N-O 3.32Å; V290-W299 PolarHBondContact O-N 3.06Å; V290-V301 HydrophobicContact CG2-CG2 3.64Å |
| 291 | L | 89.7 | Confident | 84.4 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 27% | 0.272 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.3 | 173.7 | 176.4 | 72.5 | 0 | 0 | 0 | 107.7 | V254 C272 T273 N297 R298 | V254-L291 HydrophobicContact CG1-CD2 4.29Å; C272-L291 CarbonylContact C-O 3.57Å; C272-L291 VanDerWaalsContact CA-O 3.26Å; C272-L291 WeakPolarHBondContact CA-O 3.32Å; T273-L291 PolarHBondContact N-O 3.47Å; T273-L291 PolarHBondContact O-N 3.07Å; T273-L291 PolarHBondContact OG1-O 2.86Å; L291-N297 CarbonylContact C-O 3.54Å; L291-N297 WeakPolarHBondContact CA-O 3.32Å; L291-R298 HydrophobicContact CD1-CB 3.9Å; L291-R298 HydrophobicContact CD1-CG 4.4Å |
| 292 | C | 89.1 | Confident | 83.9 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.014 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126.6 | 171.1 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | C264 N271 G294 C295 G296 N297 W299 | C264-C292 HydrophobicContact CB-CB 3.67Å; C264-C292 WeakPolarHBondContact CB-SG 3.28Å; N271-C292 PolarHBondContact O-SG 3.13Å; C292-G294 VanDerWaalsContact C-N 3.3Å; C292-G294 PolarHBondContact O-N 2.98Å; C292-G294 PolarHBondContact SG-N 3.46Å; C292-C295 WeakPolarHBondContact CB-SG 3.36Å; C292-C295 PolarHBondContact SG-SG 3.39Å; C292-G296 VanDerWaalsContact O-CA 3.25Å; C292-G296 WeakPolarHBondContact O-CA 3.32Å; C292-G296 PolarHBondContact O-N 2.96Å; C292-N297 PolarHBondContact N-O 3.39Å; C292-W299 HydrophobicContact CB-CH2 4.19Å; C292-W299 HydrophobicContact CB-CZ3 3.92Å |
| 293 | N | 86.9 | Confident | 83.2 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 32% | 0.316 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -22.8 | -177 | -63.6 | -21.8 | 0 | 0 | 0 | 112.7 | N271 T273 | N271-N293 PolarHBondContact O-N 3.01Å; N271-N293 PolarHBondContact OD1-ND2 3.39Å; T273-N293 WeakPolarHBondContact CG2-ND2 3.41Å; T273-N293 PolarHBondContact OG1-OD1 3.47Å; T273-N293 VanDerWaalsContact OG1-OD1 3.08Å |
| 294 | G | 85.6 | Confident | 81.6 | Confident | 66 Ų | 66 | 75 Ų | 75 | 68% | 0.68 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -39.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C292 | C292-G294 VanDerWaalsContact C-N 3.3Å; C292-G294 PolarHBondContact O-N 2.98Å; C292-G294 PolarHBondContact SG-N 3.46Å |
| 295 | C | 88.5 | Confident | 80.2 | Confident | 36 Ų | 36 | 81 Ų | 81 | 24% | 0.243 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -9.8 | -174.9 | 67.1 | 0 | 0 | 0 | 0 | 113.2 | C264 K266 C267 C292 N297 | C264-C295 WeakPolarHBondContact CB-SG 3.48Å; C264-C295 WeakPolarHBondContact SG-CB 3.38Å; C264-C295 CovalentContact SG-SG 2.12Å; C264-C295 PolarHBondContact SG-SG 2.88Å; K266-C295 HydrophobicContact CB-CB 4.45Å; C267-C295 HydrophobicContact CB-CB 3.81Å; C267-C295 VanDerWaalsContact SG-CB 3.55Å; C292-C295 WeakPolarHBondContact CB-SG 3.36Å; C292-C295 PolarHBondContact SG-SG 3.39Å; C295-N297 PolarHBondContact O-N 3.4Å; C295-N297 VanDerWaalsContact O-N 3.15Å; C295-N297 WeakPolarHBondContact SG-CB 3.45Å |
| 296 | G | 85.6 | Confident | 78.8 | Confident | 54 Ų | 54 | 79.4 Ų | 79.4 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | trans | 67.8 | 4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | C292 | C292-G296 VanDerWaalsContact O-CA 3.25Å; C292-G296 WeakPolarHBondContact O-CA 3.32Å; C292-G296 PolarHBondContact O-N 2.96Å | ||
| 297 | N | 89.1 | Confident | 76.8 | Confident | 48 Ų | 48 | 81.6 Ų | 81.6 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | trans | -70 | 133.6 | -177.5 | -170.5 | 26.2 | 0 | 0 | 0 | 110.4 | L291 C292 C295 W299 | L291-N297 CarbonylContact C-O 3.54Å; L291-N297 WeakPolarHBondContact CA-O 3.32Å; C292-N297 PolarHBondContact N-O 3.39Å; C295-N297 PolarHBondContact O-N 3.4Å; C295-N297 VanDerWaalsContact O-N 3.15Å; C295-N297 WeakPolarHBondContact SG-CB 3.45Å; N297-W299 HydrophobicContact CB-CE3 4.35Å; N297-W299 HydrophobicContact CB-CZ3 4.24Å; N297-W299 WeakPolarHBondContact O-CZ3 3.32Å | ||
| 298 | R | 88.5 | Confident | 74.6 | Confident | 165 Ų | 165 | 85.4 Ų | 85.4 | 62% | 0.623 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.1 | 179 | -171.6 | 179.3 | 177.8 | -178.3 | -0.3 | 110.3 | V290 L291 | V290-R298 CarbonylContact O-C 3.53Å; V290-R298 VanDerWaalsContact O-CA 3.27Å; V290-R298 WeakPolarHBondContact O-CA 3.31Å; L291-R298 HydrophobicContact CD1-CB 3.9Å; L291-R298 HydrophobicContact CD1-CG 4.4Å |
| 299 | W | 89.3 | Confident | 72.5 | Confident | 64 Ų | 64 | 87.1 Ų | 87.1 | 24% | 0.242 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 161.3 | 178.8 | 67.2 | 98.1 | 0 | 0 | 0 | 112.7 | F262 C264 V290 C292 N297 | F262-W299 HydrophobicContact CB-CZ2 4.08Å; C264-W299 HydrophobicContact CB-CH2 4.26Å; C264-W299 HydrophobicContact CB-CZ3 4.49Å; V290-W299 HydrophobicContact CB-CD2 4.22Å; V290-W299 HydrophobicContact CB-CH2 4.43Å; V290-W299 HydrophobicContact CB-CZ2 3.97Å; V290-W299 HydrophobicContact CG1-CH2 3.71Å; V290-W299 HydrophobicContact CG1-CZ2 3.5Å; V290-W299 HydrophobicContact CG1-CZ3 4.32Å; V290-W299 PolarHBondContact N-O 3.32Å; V290-W299 PolarHBondContact O-N 3.06Å; C292-W299 HydrophobicContact CB-CH2 4.19Å; C292-W299 HydrophobicContact CB-CZ3 3.92Å; N297-W299 HydrophobicContact CB-CE3 4.35Å; N297-W299 HydrophobicContact CB-CZ3 4.24Å; N297-W299 WeakPolarHBondContact O-CZ3 3.32Å |
| 300 | K | 88.9 | Confident | 70.4 | Confident | 92 Ų | 92 | 89.4 Ų | 89.4 | 40% | 0.4 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.3 | 176.2 | 172.2 | 170.8 | 171.4 | 151.6 | 0 | 109.8 | T287 F289 R302 | T287-K300 HydrophobicContact CG2-CD 3.39Å; T287-K300 HydrophobicContact CG2-CG 3.62Å; T287-K300 VanDerWaalsContact CG2-NZ 3.3Å; T287-K300 PolarHBondContact OG1-NZ 3.26Å; F289-K300 HydrophobicContact CD1-CB 4.45Å; F289-K300 HydrophobicContact CE1-CB 4.42Å; K300-R302 PolarHBondContact O-N 3.21Å |
| 301 | V | 83.8 | Confident | 67.9 | Low | 20 Ų | 20 | 96.4 Ų | 96.4 | 12% | 0.121 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 118.8 | 174.4 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | F262 T288 V290 W305 V306 | F262-V301 HydrophobicContact CD1-CG2 4.32Å; F262-V301 HydrophobicContact CE1-CG1 4.39Å; F262-V301 HydrophobicContact CE1-CG2 3.65Å; F262-V301 HydrophobicContact CZ-CG2 3.96Å; T288-V301 HydrophobicContact CG2-CG2 4.42Å; T288-V301 PolarHBondContact O-N 3.18Å; V290-V301 HydrophobicContact CG2-CG2 3.64Å; V301-W305 HydrophobicContact CG1-CB 4.02Å; V301-V306 HydrophobicContact CG1-CG2 4.19Å |
| 302 | R | 65.9 | Low | 65.6 | Low | 217 Ų | 217 | 104.4 Ų | 104.4 | 82% | 0.819 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -83.5 | 147.9 | 175.1 | -69.5 | -173.2 | 176.9 | -167 | -0.1 | 110.5 | K300 R304 W305 | K300-R302 PolarHBondContact O-N 3.21Å; R302-R304 PolarHBondContact O-N 3.49Å; R302-W305 PolarHBondContact O-N 3.01Å |
| 303 | R | 55.1 | Low | 63.2 | Low | 137 Ų | 137 | 111.6 Ų | 111.6 | 52% | 0.517 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -49.4 | -19.8 | -165.2 | -66.8 | -171.5 | -175.2 | -173.4 | 9.3 | 117.4 | E284 W305 V306 F307 | E284-R303 IonicContact OE2-NH2 2.7Å; R303-W305 PolarHBondContact O-N 3.43Å; R303-V306 PolarHBondContact O-N 3.29Å; R303-F307 PolarHBondContact O-N 3.41Å |
| 304 | R | 47.1 | Very low | 60.7 | Low | 242 Ų | 242 | 112.1 Ų | 112.1 | 91% | 0.913 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -64.9 | -22.4 | -179.1 | -161.4 | 164.6 | 174.2 | 180 | -3.2 | 113.7 | R302 | R302-R304 PolarHBondContact O-N 3.49Š|
| 305 | W | 44.7 | Very low | 58.4 | Low | 192 Ų | 192 | 114.3 Ų | 114.3 | 73% | 0.727 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -98.6 | -10.3 | 172.2 | -86 | 77.2 | 0 | 0 | 0 | 114.1 | V301 R302 R303 | V301-W305 HydrophobicContact CG1-CB 4.02Å; R302-W305 PolarHBondContact O-N 3.01Å; R303-W305 PolarHBondContact O-N 3.43Å |
| 306 | V | 45.8 | Very low | 56 | Low | 43 Ų | 43 | 118.9 Ų | 118.9 | 26% | 0.261 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.7 | -31.3 | -178.2 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | V301 R303 S308 F309 T310 | V301-V306 HydrophobicContact CG1-CG2 4.19Å; R303-V306 PolarHBondContact O-N 3.29Å; V306-S308 PolarHBondContact O-N 3.31Å; V306-F309 WeakPolarHBondContact O-CA 3.42Å; V306-F309 WeakPolarHBondContact O-CB 3.04Å; V306-F309 PolarHBondContact O-N 3.21Å; V306-T310 PolarHBondContact O-N 3.22Å; V306-T310 VanDerWaalsContact O-N 3.09Å; V306-T310 PolarHBondContact O-OG1 3.3Å |
| 307 | F | 38.5 | Very low | 53.7 | Low | 154 Ų | 154 | 121.6 Ų | 121.6 | 68% | 0.675 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.1 | -28.5 | 177.8 | -103.8 | -86.7 | 0 | 0 | 0 | 113.8 | R303 F309 T310 | R303-F307 PolarHBondContact O-N 3.41Å; F307-F309 VanDerWaalsContact C-N 3.33Å; F307-T310 PolarHBondContact O-OG1 3.39Å |
| 308 | S | 39.7 | Very low | 51.2 | Low | 92 Ų | 92 | 124.8 Ų | 124.8 | 64% | 0.643 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79.8 | -18.4 | 173.5 | -136.2 | 0 | 0 | 0 | 0 | 112.6 | V306 | V306-S308 PolarHBondContact O-N 3.31Å |
| 309 | F | 44 | Very low | 48.7 | Very low | 50 Ų | 50 | 126.9 Ų | 126.9 | 22% | 0.219 | 64% | 0.635 | C | S | . | * | H | α-helix | trans | -87.3 | -40 | -177.1 | -142.3 | -82.2 | 0 | 0 | 0 | 112.1 | M261 V306 F307 L311 R312 F313 | M261-F309 HydrophobicContact CE-CD2 3.91Å; M261-F309 HydrophobicContact CE-CE2 3.08Å; M261-F309 HydrophobicContact CE-CZ 3.51Å; M261-F309 HydrophobicContact SD-CE2 3.54Å; M261-F309 VanDerWaalsContact SD-CE2 3.54Å; M261-F309 HydrophobicContact SD-CZ 3.49Å; M261-F309 WeakPolarHBondContact SD-CZ 3.32Å; V306-F309 WeakPolarHBondContact O-CA 3.42Å; V306-F309 WeakPolarHBondContact O-CB 3.04Å; V306-F309 PolarHBondContact O-N 3.21Å; F307-F309 VanDerWaalsContact C-N 3.33Å; F309-L311 PolarHBondContact O-N 3.03Å; F309-R312 PolarHBondContact O-N 3.04Å; F309-F313 HydrophobicContact CD1-CD2 4.36Å; F309-F313 AromaticContact CE1-CD2 4Å; F309-F313 HydrophobicContact CE1-CD2 4Å; F309-F313 HydrophobicContact CE1-CE2 4.27Å; F309-F313 PolarHBondContact O-N 3.45Å |
| 310 | T | 42.4 | Very low | 46.7 | Very low | 92 Ų | 92 | 130 Ų | 130 | 56% | 0.564 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64.2 | -25.8 | 175.2 | 41.4 | 0 | 0 | 0 | 0 | 113 | V306 F307 | V306-T310 PolarHBondContact O-N 3.22Å; V306-T310 VanDerWaalsContact O-N 3.09Å; V306-T310 PolarHBondContact O-OG1 3.3Å; F307-T310 PolarHBondContact O-OG1 3.39Å |
| 311 | L | 37.4 | Very low | 44.5 | Very low | 147 Ų | 147 | 132 Ų | 132 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -14.2 | 176.4 | -100.6 | 139.7 | 0 | 0 | 0 | 114.2 | F309 | F309-L311 PolarHBondContact O-N 3.03Š|
| 312 | R | 41.9 | Very low | 42.3 | Very low | 220 Ų | 220 | 138.2 Ų | 138.2 | 83% | 0.83 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -11.7 | 179.8 | -100.6 | -179 | -175.7 | -157.4 | 0.7 | 115.1 | F309 | F309-R312 PolarHBondContact O-N 3.04Š|
| 313 | F | 38.8 | Very low | 40.9 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 67% | 0.671 | 69% | 0.691 | S | S | * | * | trans | -124.9 | 30.7 | 179.3 | -90.3 | -84.7 | 0 | 0 | 0 | 112.1 | F309 P315 | F309-F313 HydrophobicContact CD1-CD2 4.36Å; F309-F313 AromaticContact CE1-CD2 4Å; F309-F313 HydrophobicContact CE1-CD2 4Å; F309-F313 HydrophobicContact CE1-CE2 4.27Å; F309-F313 PolarHBondContact O-N 3.45Å; F313-P315 VanDerWaalsContact O-CD 3.3Å; F313-P315 WeakPolarHBondContact O-CD 3.39Å | ||
| 314 | A | 34.5 | Very low | 40.1 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 58% | 0.579 | 70% | 0.702 | S | S | * | * | trans | -67.2 | 119.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | T316 | A314-T316 PolarHBondContact O-N 2.87Å; A314-T316 VanDerWaalsContact O-N 3.11Å | ||
| 315 | P | 37.2 | Very low | 39.6 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -60.6 | 120.5 | 165.6 | 26.2 | -29.3 | 0 | 0 | 0 | 105.8 | F313 S317 | F313-P315 VanDerWaalsContact O-CD 3.3Å; F313-P315 WeakPolarHBondContact O-CD 3.39Å; P315-S317 PolarHBondContact O-N 3.39Å | ||
| 316 | T | 37.7 | Very low | 39.2 | Very low | 132 Ų | 132 | 121.4 Ų | 121.4 | 81% | 0.81 | 69% | 0.686 | S | S | * | * | trans | -60.7 | 93.1 | 164 | 44.3 | 0 | 0 | 0 | 0 | 106.7 | A314 S318 | A314-T316 PolarHBondContact O-N 2.87Å; A314-T316 VanDerWaalsContact O-N 3.11Å; T316-S318 PolarHBondContact O-N 2.85Å | ||
| 317 | S | 37.7 | Very low | 38.7 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -64.3 | 94.4 | 161.1 | -77.1 | 0 | 0 | 0 | 0 | 106.6 | P315 V319 | P315-S317 PolarHBondContact O-N 3.39Å; S317-V319 PolarHBondContact O-N 3.32Å | ||
| 318 | S | 36.4 | Very low | 38.7 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | trans | -64.7 | 110.8 | 158.6 | -73.3 | 0 | 0 | 0 | 0 | 107.5 | T316 | T316-S318 PolarHBondContact O-N 2.85Š| ||
| 319 | V | 37.1 | Very low | 38.7 | Very low | 208 Ų | 208 | 128.3 Ų | 128.3 | 100% | 1.261 | 73% | 0.729 | S | S | * | * | trans | -87.3 | 0 | 149.1 | 178.2 | 0 | 0 | 0 | 0 | 106.9 | S317 | S317-V319 PolarHBondContact O-N 3.32Š|
Retrieved 319 of 319 residues in 223.8 ms
(Link to these results)