| 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 | 52.2 | Low | 71.4 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 35% | 0.345 | 33% | 0.332 | S | S | . | . | 0 | 131.6 | 0 | -81.8 | -174.5 | -98 | 0 | 0 | 107.1 | C3 L6 Y42 A46 R313 R474 | M1-C3 PolarHBondContact O-N 2.81Å; M1-L6 HydrophobicContact CB-CD1 4.11Å; M1-L6 HydrophobicContact CG-CD1 4.36Å; M1-L6 HydrophobicContact SD-CD1 3.94Å; M1-Y42 HydrophobicContact SD-CD1 4.44Å; M1-A46 HydrophobicContact CB-CB 3.55Å; M1-A46 HydrophobicContact SD-CB 4.44Å; M1-R313 HydrophobicContact CG-CG 4.05Å; M1-R474 VanDerWaalsContact CE-NH2 3.35Å | |||
| 2 | D | 59.6 | Low | 72.5 | Confident | 97 Ų | 97 | 66.5 Ų | 66.5 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | trans | -79.7 | 113.9 | 168.6 | -176.7 | -8.1 | 0 | 0 | 0 | 107.9 | T4 A5 L6 | D2-T4 VanDerWaalsContact C-N 3.3Å; D2-T4 PolarHBondContact O-N 3.09Å; D2-T4 PolarHBondContact OD1-N 2.88Å; D2-T4 PolarHBondContact OD1-OG1 2.99Å; D2-T4 PolarHBondContact OD2-OG1 3.42Å; D2-A5 HydrophobicContact CB-CB 4.17Å; D2-L6 PolarHBondContact O-N 3.19Å | ||
| 3 | C | 67.6 | Low | 73.5 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | -178.7 | -172.6 | 0 | 0 | 0 | 0 | 112 | M1 A5 L6 E7 A43 A46 S48 | M1-C3 PolarHBondContact O-N 2.81Å; C3-A5 VanDerWaalsContact C-N 3.31Å; C3-A5 PolarHBondContact O-N 2.86Å; C3-L6 PolarHBondContact O-N 2.87Å; C3-E7 VanDerWaalsContact O-CG 3.31Å; C3-E7 WeakPolarHBondContact O-CG 3.36Å; C3-E7 PolarHBondContact O-N 2.91Å; C3-E7 PolarHBondContact SG-OE1 3.34Å; C3-A43 PolarHBondContact SG-O 2.81Å; C3-A43 VanDerWaalsContact SG-O 3.34Å; C3-A46 HydrophobicContact CB-CB 4.06Å; C3-S48 WeakPolarHBondContact SG-CA 3.4Å; C3-S48 WeakPolarHBondContact SG-CB 3.18Å; C3-S48 PolarHBondContact SG-N 3.16Å |
| 4 | T | 68.3 | Low | 74.4 | Confident | 82 Ų | 82 | 58.7 Ų | 58.7 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.2 | -35 | -175.9 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | D2 E7 V8 | D2-T4 VanDerWaalsContact C-N 3.3Å; D2-T4 PolarHBondContact O-N 3.09Å; D2-T4 PolarHBondContact OD1-N 2.88Å; D2-T4 PolarHBondContact OD1-OG1 2.99Å; D2-T4 PolarHBondContact OD2-OG1 3.42Å; T4-E7 PolarHBondContact O-N 3.44Å; T4-V8 VanDerWaalsContact O-CG2 3.26Å; T4-V8 WeakPolarHBondContact O-CG2 3.37Å; T4-V8 PolarHBondContact O-N 3.15Å |
| 5 | A | 67.8 | Low | 75.3 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D2 C3 V8 D9 | D2-A5 HydrophobicContact CB-CB 4.17Å; C3-A5 VanDerWaalsContact C-N 3.31Å; C3-A5 PolarHBondContact O-N 2.86Å; A5-V8 PolarHBondContact O-N 2.97Å; A5-D9 PolarHBondContact O-N 2.81Å |
| 6 | L | 70.3 | Confident | 75.9 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.2 | -34.8 | 178.6 | -70 | 164.4 | 0 | 0 | 0 | 112.4 | M1 D2 C3 D9 A10 A43 A46 | M1-L6 HydrophobicContact CB-CD1 4.11Å; M1-L6 HydrophobicContact CG-CD1 4.36Å; M1-L6 HydrophobicContact SD-CD1 3.94Å; D2-L6 PolarHBondContact O-N 3.19Å; C3-L6 PolarHBondContact O-N 2.87Å; L6-D9 PolarHBondContact O-N 3.26Å; L6-A10 WeakPolarHBondContact O-CB 3.42Å; L6-A10 PolarHBondContact O-N 3.15Å; L6-A43 HydrophobicContact CB-CB 3.93Å; L6-A46 HydrophobicContact CD1-CB 3.82Å |
| 7 | E | 77.1 | Confident | 76.5 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 21% | 0.21 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 172.6 | -66.7 | 171.8 | -171.4 | 0 | 0 | 111.6 | C3 T4 A10 F11 A43 S48 L50 | C3-E7 VanDerWaalsContact O-CG 3.31Å; C3-E7 WeakPolarHBondContact O-CG 3.36Å; C3-E7 PolarHBondContact O-N 2.91Å; C3-E7 PolarHBondContact SG-OE1 3.34Å; T4-E7 PolarHBondContact O-N 3.44Å; E7-A10 WeakPolarHBondContact O-CB 3.38Å; E7-A10 PolarHBondContact O-N 2.95Å; E7-F11 WeakPolarHBondContact O-CB 3.49Å; E7-F11 PolarHBondContact O-N 3.13Å; E7-A43 HydrophobicContact CG-CB 3.76Å; E7-S48 VanDerWaalsContact OE1-CB 3.24Å; E7-S48 WeakPolarHBondContact OE1-CB 3.26Å; E7-S48 PolarHBondContact OE1-OG 3.31Å; E7-L50 HydrophobicContact CB-CD1 4.07Å; E7-L50 HydrophobicContact CG-CD1 3.51Å |
| 8 | V | 79.9 | Confident | 77.1 | Confident | 95 Ų | 95 | 58.6 Ų | 58.6 | 58% | 0.576 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 175.8 | 169.7 | 0 | 0 | 0 | 0 | 111 | T4 A5 F11 K12 | T4-V8 VanDerWaalsContact O-CG2 3.26Å; T4-V8 WeakPolarHBondContact O-CG2 3.37Å; T4-V8 PolarHBondContact O-N 3.15Å; A5-V8 PolarHBondContact O-N 2.97Å; V8-F11 PolarHBondContact O-N 3.01Å; V8-K12 VanDerWaalsContact O-CB 3.31Å; V8-K12 WeakPolarHBondContact O-CB 3.46Å; V8-K12 PolarHBondContact O-N 3Å |
| 9 | D | 76.4 | Confident | 77.6 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 25% | 0.246 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 174.7 | -84.3 | -9 | 0 | 0 | 0 | 111.4 | A5 L6 F11 K12 F13 A39 | A5-D9 PolarHBondContact O-N 2.81Å; L6-D9 PolarHBondContact O-N 3.26Å; D9-F11 VanDerWaalsContact C-N 3.33Å; D9-F11 PolarHBondContact O-N 2.85Å; D9-K12 PolarHBondContact O-N 2.9Å; D9-F13 HydrophobicContact CB-CD2 4.33Å; D9-F13 HydrophobicContact CB-CE2 3.98Å; D9-F13 WeakPolarHBondContact O-CB 3.49Å; D9-F13 WeakPolarHBondContact O-CD2 3.13Å; D9-F13 VanDerWaalsContact O-CG 3.29Å; D9-F13 WeakPolarHBondContact O-CG 3.43Å; D9-F13 PolarHBondContact O-N 2.76Å; D9-A39 HydrophobicContact CB-CB 4.49Å |
| 10 | A | 82.1 | Confident | 77.9 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L6 E7 F13 A14 A39 L40 | L6-A10 WeakPolarHBondContact O-CB 3.42Å; L6-A10 PolarHBondContact O-N 3.15Å; E7-A10 WeakPolarHBondContact O-CB 3.38Å; E7-A10 PolarHBondContact O-N 2.95Å; A10-F13 PolarHBondContact O-N 2.83Å; A10-A14 VanDerWaalsContact O-CB 3.26Å; A10-A14 WeakPolarHBondContact O-CB 3.31Å; A10-A14 PolarHBondContact O-N 2.8Å; A10-A39 HydrophobicContact CB-CB 3.65Å; A10-L40 HydrophobicContact CB-CD2 3.36Å; A10-L40 HydrophobicContact CB-CG 3.62Å |
| 11 | F | 84.3 | Confident | 78.2 | Confident | 147 Ų | 147 | 57.1 Ų | 57.1 | 65% | 0.645 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.4 | -42.6 | 176.8 | -176.1 | -98.8 | 0 | 0 | 0 | 111.8 | E7 V8 D9 A14 K15 | E7-F11 WeakPolarHBondContact O-CB 3.49Å; E7-F11 PolarHBondContact O-N 3.13Å; V8-F11 PolarHBondContact O-N 3.01Å; D9-F11 VanDerWaalsContact C-N 3.33Å; D9-F11 PolarHBondContact O-N 2.85Å; F11-A14 PolarHBondContact O-N 3.39Å; F11-K15 WeakPolarHBondContact O-CB 3.5Å; F11-K15 PolarHBondContact O-N 2.85Å |
| 12 | K | 83.9 | Confident | 79.8 | Confident | 133 Ų | 133 | 61.1 Ų | 61.1 | 58% | 0.578 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.6 | -46.1 | 177.4 | -174 | -176.6 | 177.9 | -171.7 | 0 | 111.4 | V8 D9 T16 | V8-K12 VanDerWaalsContact O-CB 3.31Å; V8-K12 WeakPolarHBondContact O-CB 3.46Å; V8-K12 PolarHBondContact O-N 3Å; D9-K12 PolarHBondContact O-N 2.9Å; K12-T16 WeakPolarHBondContact O-CB 3.46Å; K12-T16 PolarHBondContact O-N 2.89Å; K12-T16 PolarHBondContact O-OG1 3.35Å |
| 13 | F | 85.6 | Confident | 80.8 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 176.6 | -66.7 | -42.6 | 0 | 0 | 0 | 111.4 | D9 A10 K15 T16 A17 Y32 E35 A36 A39 | D9-F13 HydrophobicContact CB-CD2 4.33Å; D9-F13 HydrophobicContact CB-CE2 3.98Å; D9-F13 WeakPolarHBondContact O-CB 3.49Å; D9-F13 WeakPolarHBondContact O-CD2 3.13Å; D9-F13 VanDerWaalsContact O-CG 3.29Å; D9-F13 WeakPolarHBondContact O-CG 3.43Å; D9-F13 PolarHBondContact O-N 2.76Å; A10-F13 PolarHBondContact O-N 2.83Å; F13-K15 PolarHBondContact O-N 2.75Å; F13-T16 CarbonylContact O-C 3.6Å; F13-T16 PolarHBondContact O-N 3.06Å; F13-A17 WeakPolarHBondContact O-CB 3.47Å; F13-A17 PolarHBondContact O-N 2.82Å; F13-Y32 HydrophobicContact CB-CD1 4.47Å; F13-Y32 AromaticContact CD1-CD1 3.64Å; F13-Y32 HydrophobicContact CD1-CD1 3.64Å; F13-Y32 AromaticContact CD1-CE1 3.91Å; F13-Y32 HydrophobicContact CD1-CE1 3.91Å; F13-Y32 HydrophobicContact CE1-CD1 4.35Å; F13-Y32 HydrophobicContact CE1-CE1 4.22Å; F13-Y32 HydrophobicContact CG-CD1 4.42Å; F13-E35 HydrophobicContact CD2-CB 4.04Å; F13-E35 HydrophobicContact CE2-CB 4.33Å; F13-E35 HydrophobicContact CG-CB 4.14Å; F13-A36 HydrophobicContact CB-CB 3.72Å; F13-A39 HydrophobicContact CD2-CB 4.19Å |
| 14 | A | 86.3 | Confident | 81.3 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A10 F11 T16 A17 V18 A36 Y60 | A10-A14 VanDerWaalsContact O-CB 3.26Å; A10-A14 WeakPolarHBondContact O-CB 3.31Å; A10-A14 PolarHBondContact O-N 2.8Å; F11-A14 PolarHBondContact O-N 3.39Å; A14-T16 VanDerWaalsContact C-N 3.29Å; A14-T16 PolarHBondContact O-N 3.01Å; A14-A17 WeakPolarHBondContact O-CB 3.48Å; A14-A17 PolarHBondContact O-N 3.42Å; A14-V18 WeakPolarHBondContact O-CG2 3.31Å; A14-V18 PolarHBondContact O-N 3.23Å; A14-A36 HydrophobicContact CB-CB 4.03Å; A14-Y60 HydrophobicContact CB-CE1 4.37Å; A14-Y60 HydrophobicContact CB-CE2 3.94Å; A14-Y60 VanDerWaalsContact CB-OH 3.25Å; A14-Y60 WeakPolarHBondContact CB-OH 3.49Å |
| 15 | K | 88.3 | Confident | 81.6 | Confident | 139 Ų | 139 | 63.3 Ų | 63.3 | 60% | 0.604 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60 | -41.6 | 175.8 | -174.5 | 177.6 | -179.8 | 179.3 | 0 | 111.7 | F11 F13 T19 | F11-K15 WeakPolarHBondContact O-CB 3.5Å; F11-K15 PolarHBondContact O-N 2.85Å; F13-K15 PolarHBondContact O-N 2.75Å; K15-T19 PolarHBondContact O-N 3.08Å; K15-T19 VanDerWaalsContact O-N 3.07Å; K15-T19 PolarHBondContact O-OG1 3.33Å |
| 16 | T | 84.8 | Confident | 82.1 | Confident | 40 Ų | 40 | 63.9 Ų | 63.9 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 177.5 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | K12 F13 A14 T19 Y20 Y32 | K12-T16 WeakPolarHBondContact O-CB 3.46Å; K12-T16 PolarHBondContact O-N 2.89Å; K12-T16 PolarHBondContact O-OG1 3.35Å; F13-T16 CarbonylContact O-C 3.6Å; F13-T16 PolarHBondContact O-N 3.06Å; A14-T16 VanDerWaalsContact C-N 3.29Å; A14-T16 PolarHBondContact O-N 3.01Å; T16-T19 WeakPolarHBondContact O-CB 3.37Å; T16-T19 PolarHBondContact O-N 3.41Å; T16-Y20 HydrophobicContact CG2-CD2 3.74Å; T16-Y20 HydrophobicContact CG2-CE2 3.47Å; T16-Y20 VanDerWaalsContact CG2-CE2 3.47Å; T16-Y20 WeakPolarHBondContact O-CD2 3.49Å; T16-Y20 PolarHBondContact O-N 3.03Å; T16-Y32 HydrophobicContact CG2-CD1 4.1Å; T16-Y32 HydrophobicContact CG2-CD2 3.76Å; T16-Y32 HydrophobicContact CG2-CE1 4.06Å; T16-Y32 HydrophobicContact CG2-CE2 3.73Å; T16-Y32 HydrophobicContact CG2-CG 3.94Å |
| 17 | A | 86 | Confident | 82 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F13 A14 T19 Y20 D21 Y33 | F13-A17 WeakPolarHBondContact O-CB 3.47Å; F13-A17 PolarHBondContact O-N 2.82Å; A14-A17 WeakPolarHBondContact O-CB 3.48Å; A14-A17 PolarHBondContact O-N 3.42Å; A17-T19 VanDerWaalsContact C-N 3.28Å; A17-T19 PolarHBondContact O-N 3.09Å; A17-Y20 PolarHBondContact O-N 2.99Å; A17-D21 VanDerWaalsContact O-CB 3.28Å; A17-D21 WeakPolarHBondContact O-CB 3.48Å; A17-D21 PolarHBondContact O-N 3.34Å; A17-Y33 HydrophobicContact CB-CD1 3.55Å; A17-Y33 HydrophobicContact CB-CD2 3.75Å; A17-Y33 HydrophobicContact CB-CE1 3.71Å; A17-Y33 HydrophobicContact CB-CE2 3.9Å; A17-Y33 HydrophobicContact CB-CG 3.56Å |
| 18 | V | 87.5 | Confident | 81.9 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 33% | 0.327 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | A14 D21 Q22 Y33 | A14-V18 WeakPolarHBondContact O-CG2 3.31Å; A14-V18 PolarHBondContact O-N 3.23Å; V18-D21 PolarHBondContact O-N 3.43Å; V18-Q22 HydrophobicContact CG1-CG 4.35Å; V18-Q22 WeakPolarHBondContact O-CB 3.49Å; V18-Q22 VanDerWaalsContact O-CG 3.27Å; V18-Q22 WeakPolarHBondContact O-CG 3.35Å; V18-Q22 PolarHBondContact O-N 2.74Å; V18-Y33 HydrophobicContact CG2-CE1 4.19Å; V18-Y33 WeakPolarHBondContact CG2-OH 3.42Å |
| 19 | T | 86 | Confident | 81.9 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | K15 T16 A17 N23 | K15-T19 PolarHBondContact O-N 3.08Å; K15-T19 VanDerWaalsContact O-N 3.07Å; K15-T19 PolarHBondContact O-OG1 3.33Å; T16-T19 WeakPolarHBondContact O-CB 3.37Å; T16-T19 PolarHBondContact O-N 3.41Å; A17-T19 VanDerWaalsContact C-N 3.28Å; A17-T19 PolarHBondContact O-N 3.09Å; T19-N23 WeakPolarHBondContact O-CB 3.31Å; T19-N23 VanDerWaalsContact O-CG 3.28Å; T19-N23 PolarHBondContact O-N 3.49Å; T19-N23 VanDerWaalsContact O-N 3.16Å; T19-N23 PolarHBondContact O-ND2 3.35Å |
| 20 | Y | 83.6 | Confident | 82 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 26% | 0.255 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 176.2 | -77.9 | -61 | 0 | 0 | 0 | 112.6 | T16 A17 N23 A24 K25 E28 Y32 | T16-Y20 HydrophobicContact CG2-CD2 3.74Å; T16-Y20 HydrophobicContact CG2-CE2 3.47Å; T16-Y20 VanDerWaalsContact CG2-CE2 3.47Å; T16-Y20 WeakPolarHBondContact O-CD2 3.49Å; T16-Y20 PolarHBondContact O-N 3.03Å; A17-Y20 PolarHBondContact O-N 2.99Å; Y20-N23 CarbonylContact O-C 3.52Å; Y20-N23 PolarHBondContact O-N 2.94Å; Y20-A24 PolarHBondContact O-N 2.6Å; Y20-K25 HydrophobicContact CD1-CB 3.76Å; Y20-K25 HydrophobicContact CD1-CD 3.65Å; Y20-K25 HydrophobicContact CD1-CG 4.31Å; Y20-K25 HydrophobicContact CE1-CD 3.85Å; Y20-K25 HydrophobicContact CG-CB 4.44Å; Y20-K25 PolarHBondContact O-N 3.48Å; Y20-E28 HydrophobicContact CD1-CB 3.9Å; Y20-E28 HydrophobicContact CD2-CB 4.03Å; Y20-E28 HydrophobicContact CE1-CB 4.23Å; Y20-E28 HydrophobicContact CE1-CG 4.48Å; Y20-E28 HydrophobicContact CE2-CB 4.35Å; Y20-E28 HydrophobicContact CG-CB 3.79Å; Y20-Y32 AromaticContact CD2-CD2 3.56Å; Y20-Y32 HydrophobicContact CD2-CD2 3.56Å; Y20-Y32 AromaticContact CD2-CE2 3.76Å; Y20-Y32 HydrophobicContact CD2-CE2 3.76Å; Y20-Y32 AromaticContact CE2-CD2 3.67Å; Y20-Y32 HydrophobicContact CE2-CD2 3.67Å; Y20-Y32 AromaticContact CE2-CE2 3.32Å; Y20-Y32 HydrophobicContact CE2-CE2 3.32Å |
| 21 | D | 85.1 | Confident | 81.8 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 176.1 | -166.2 | -10.6 | 0 | 0 | 0 | 110.9 | A17 V18 N23 A24 A29 Y33 R63 | A17-D21 VanDerWaalsContact O-CB 3.28Å; A17-D21 WeakPolarHBondContact O-CB 3.48Å; A17-D21 PolarHBondContact O-N 3.34Å; V18-D21 PolarHBondContact O-N 3.43Å; D21-N23 VanDerWaalsContact C-N 3.3Å; D21-N23 PolarHBondContact O-N 3Å; D21-A24 PolarHBondContact O-N 2.96Å; D21-A24 VanDerWaalsContact O-N 3.13Å; D21-A29 HydrophobicContact CB-CB 3.96Å; D21-Y33 HydrophobicContact CB-CE2 4.01Å; D21-Y33 VanDerWaalsContact OD2-CE2 3.31Å; D21-Y33 WeakPolarHBondContact OD2-CE2 3.24Å; D21-Y33 PolarHBondContact OD2-OH 2.68Å; D21-R63 VanDerWaalsContact CG-NH2 3.33Å; D21-R63 IonicContact OD1-CZ 2.67Å; D21-R63 IonicContact OD1-NE 2.71Å; D21-R63 IonicContact OD1-NH2 3.79Å; D21-R63 PolarHBondContact OD1-NH2 2.99Å; D21-R63 IonicContact OD2-CZ 3.12Å; D21-R63 IonicContact OD2-NE 3.2Å; D21-R63 PolarHBondContact OD2-NE 2.97Å; D21-R63 IonicContact OD2-NH2 3.6Å; D21-R63 PolarHBondContact OD2-NH2 2.77Å; D21-R63 VanDerWaalsContact OD2-NH2 3.14Å |
| 22 | Q | 86.4 | Confident | 81.6 | Confident | 153 Ų | 153 | 56 Ų | 56 | 72% | 0.715 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.6 | -33 | 175.5 | -73.6 | 175.1 | -6.3 | 0 | 0 | 113.3 | V18 A24 | V18-Q22 HydrophobicContact CG1-CG 4.35Å; V18-Q22 WeakPolarHBondContact O-CB 3.49Å; V18-Q22 VanDerWaalsContact O-CG 3.27Å; V18-Q22 WeakPolarHBondContact O-CG 3.35Å; V18-Q22 PolarHBondContact O-N 2.74Å; Q22-A24 PolarHBondContact O-N 3.14Å |
| 23 | N | 80.6 | Confident | 81.5 | Confident | 105 Ų | 105 | 50.3 Ų | 50.3 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 12.6 | 177.6 | -70.4 | -39.2 | 0 | 0 | 0 | 113.3 | T19 Y20 D21 K25 | T19-N23 WeakPolarHBondContact O-CB 3.31Å; T19-N23 VanDerWaalsContact O-CG 3.28Å; T19-N23 PolarHBondContact O-N 3.49Å; T19-N23 VanDerWaalsContact O-N 3.16Å; T19-N23 PolarHBondContact O-ND2 3.35Å; Y20-N23 CarbonylContact O-C 3.52Å; Y20-N23 PolarHBondContact O-N 2.94Å; D21-N23 VanDerWaalsContact C-N 3.3Å; D21-N23 PolarHBondContact O-N 3Å; N23-K25 PolarHBondContact O-N 2.84Å; N23-K25 VanDerWaalsContact O-N 3.13Å |
| 24 | A | 77.9 | Confident | 81.1 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 21.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y20 D21 Q22 Y26 | Y20-A24 PolarHBondContact O-N 2.6Å; D21-A24 PolarHBondContact O-N 2.96Å; D21-A24 VanDerWaalsContact O-N 3.13Å; Q22-A24 PolarHBondContact O-N 3.14Å; A24-Y26 VanDerWaalsContact C-N 3.35Å; A24-Y26 HydrophobicContact CB-CE1 4.26Å; A24-Y26 HydrophobicContact CB-CE2 4.34Å; A24-Y26 PolarHBondContact O-N 2.81Å |
| 25 | K | 73.4 | Confident | 80.6 | Confident | 90 Ų | 90 | 53.6 Ų | 53.6 | 39% | 0.391 | 27% | 0.267 | S | S | . | . | trans | -90.8 | 71.4 | 174.6 | -71.3 | -173 | 175.1 | -174 | 0 | 109.6 | Y20 N23 N27 E28 A29 | Y20-K25 HydrophobicContact CD1-CB 3.76Å; Y20-K25 HydrophobicContact CD1-CD 3.65Å; Y20-K25 HydrophobicContact CD1-CG 4.31Å; Y20-K25 HydrophobicContact CE1-CD 3.85Å; Y20-K25 HydrophobicContact CG-CB 4.44Å; Y20-K25 PolarHBondContact O-N 3.48Å; N23-K25 PolarHBondContact O-N 2.84Å; N23-K25 VanDerWaalsContact O-N 3.13Å; K25-N27 PolarHBondContact O-N 2.88Å; K25-E28 PolarHBondContact O-N 2.84Å; K25-A29 WeakPolarHBondContact O-CB 3.43Å; K25-A29 PolarHBondContact O-N 2.82Å | ||
| 26 | Y | 78.1 | Confident | 80.3 | Confident | 60 Ų | 60 | 47 Ų | 47 | 24% | 0.235 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.6 | -30.9 | -166.1 | -56 | -49.5 | 0 | 0 | 0 | 114 | A24 A29 V30 L67 V71 | A24-Y26 VanDerWaalsContact C-N 3.35Å; A24-Y26 HydrophobicContact CB-CE1 4.26Å; A24-Y26 HydrophobicContact CB-CE2 4.34Å; A24-Y26 PolarHBondContact O-N 2.81Å; Y26-A29 PolarHBondContact O-N 2.83Å; Y26-V30 WeakPolarHBondContact O-CB 3.32Å; Y26-V30 VanDerWaalsContact O-CG2 3.23Å; Y26-V30 WeakPolarHBondContact O-CG2 3.46Å; Y26-V30 PolarHBondContact O-N 3.07Å; Y26-L67 HydrophobicContact CD1-CD2 3.56Å; Y26-L67 HydrophobicContact CE1-CD2 4.1Å; Y26-L67 HydrophobicContact CG-CD2 4.24Å; Y26-V71 VanDerWaalsContact CB-CG2 3.41Å; Y26-V71 HydrophobicContact CG-CG2 4.49Å |
| 27 | N | 68.8 | Low | 79.9 | Confident | 104 Ų | 104 | 45.2 Ų | 45.2 | 56% | 0.556 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -65.2 | -46.4 | 177.3 | -76 | -43.4 | 0 | 0 | 0 | 111.8 | K25 V30 F31 V71 | K25-N27 PolarHBondContact O-N 2.88Å; N27-V30 PolarHBondContact O-N 2.87Å; N27-F31 PolarHBondContact O-N 2.82Å; N27-F31 VanDerWaalsContact O-N 3.14Å; N27-V71 WeakPolarHBondContact OD1-CG1 3.29Å |
| 28 | E | 74.5 | Confident | 79 | Confident | 24 Ų | 24 | 47.2 Ų | 47.2 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.6 | -40.6 | 176.6 | -63.4 | 89.4 | 154.8 | 0 | 0 | 111 | Y20 K25 F31 Y32 M283 | Y20-E28 HydrophobicContact CD1-CB 3.9Å; Y20-E28 HydrophobicContact CD2-CB 4.03Å; Y20-E28 HydrophobicContact CE1-CB 4.23Å; Y20-E28 HydrophobicContact CE1-CG 4.48Å; Y20-E28 HydrophobicContact CE2-CB 4.35Å; Y20-E28 HydrophobicContact CG-CB 3.79Å; K25-E28 PolarHBondContact O-N 2.84Å; E28-F31 WeakPolarHBondContact O-CB 3.29Å; E28-F31 PolarHBondContact O-N 2.84Å; E28-Y32 VanDerWaalsContact O-CD2 3.22Å; E28-Y32 WeakPolarHBondContact O-CD2 3.3Å; E28-Y32 PolarHBondContact O-N 3.06Å; E28-M283 HydrophobicContact CG-CE 4.42Å |
| 29 | A | 81 | Confident | 78.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D21 K25 Y26 F31 Y32 Y33 L67 | D21-A29 HydrophobicContact CB-CB 3.96Å; K25-A29 WeakPolarHBondContact O-CB 3.43Å; K25-A29 PolarHBondContact O-N 2.82Å; Y26-A29 PolarHBondContact O-N 2.83Å; A29-F31 VanDerWaalsContact C-N 3.3Å; A29-F31 PolarHBondContact O-N 2.9Å; A29-Y32 PolarHBondContact O-N 3.02Å; A29-Y33 HydrophobicContact CB-CD2 4.36Å; A29-Y33 HydrophobicContact CB-CE2 4.29Å; A29-Y33 WeakPolarHBondContact O-CB 3.2Å; A29-Y33 WeakPolarHBondContact O-CD2 3.4Å; A29-Y33 PolarHBondContact O-N 3.28Å; A29-L67 HydrophobicContact CB-CD1 3.93Å |
| 30 | V | 78.8 | Confident | 77.8 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.6 | -44.7 | 175.9 | 163.1 | 0 | 0 | 0 | 0 | 111.3 | Y26 N27 K34 V64 L67 | Y26-V30 WeakPolarHBondContact O-CB 3.32Å; Y26-V30 VanDerWaalsContact O-CG2 3.23Å; Y26-V30 WeakPolarHBondContact O-CG2 3.46Å; Y26-V30 PolarHBondContact O-N 3.07Å; N27-V30 PolarHBondContact O-N 2.87Å; V30-K34 HydrophobicContact CG1-CD 4.29Å; V30-K34 WeakPolarHBondContact O-CG 3.38Å; V30-K34 PolarHBondContact O-N 3.23Å; V30-K34 VanDerWaalsContact O-N 3.09Å; V30-V64 HydrophobicContact CG1-CG1 4.07Å; V30-L67 HydrophobicContact CG2-CB 3.47Å; V30-L67 VanDerWaalsContact CG2-CB 3.47Å; V30-L67 HydrophobicContact CG2-CD1 4.22Å |
| 31 | F | 76.4 | Confident | 77 | Confident | 22 Ų | 22 | 41 Ų | 41 | 10% | 0.096 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -51.6 | 177.5 | 174.7 | -98.7 | 0 | 0 | 0 | 111.8 | N27 E28 A29 Y33 K34 E35 M283 N374 | N27-F31 PolarHBondContact O-N 2.82Å; N27-F31 VanDerWaalsContact O-N 3.14Å; E28-F31 WeakPolarHBondContact O-CB 3.29Å; E28-F31 PolarHBondContact O-N 2.84Å; A29-F31 VanDerWaalsContact C-N 3.3Å; A29-F31 PolarHBondContact O-N 2.9Å; F31-Y33 PolarHBondContact O-N 2.9Å; F31-K34 WeakPolarHBondContact O-CB 3.38Å; F31-K34 PolarHBondContact O-N 3.13Å; F31-E35 HydrophobicContact CD1-CG 4.47Å; F31-E35 HydrophobicContact CE1-CG 4.06Å; F31-E35 HydrophobicContact CE2-CG 4.2Å; F31-E35 HydrophobicContact CZ-CG 3.93Å; F31-E35 PolarHBondContact O-N 3.41Å; F31-M283 HydrophobicContact CD1-CE 4.09Å; F31-M283 HydrophobicContact CE1-CB 3.89Å; F31-M283 HydrophobicContact CE1-CE 4.34Å; F31-M283 HydrophobicContact CZ-CB 4.29Å; F31-N374 HydrophobicContact CD2-CB 3.86Å; F31-N374 HydrophobicContact CE2-CB 3.87Å |
| 32 | Y | 81.1 | Confident | 75.8 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 9% | 0.094 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.8 | -32.1 | -176.9 | -76.5 | -66.4 | 0 | 0 | 0 | 113.4 | F13 T16 Y20 E28 A29 E35 A36 M283 | F13-Y32 HydrophobicContact CB-CD1 4.47Å; F13-Y32 AromaticContact CD1-CD1 3.64Å; F13-Y32 HydrophobicContact CD1-CD1 3.64Å; F13-Y32 AromaticContact CD1-CE1 3.91Å; F13-Y32 HydrophobicContact CD1-CE1 3.91Å; F13-Y32 HydrophobicContact CE1-CD1 4.35Å; F13-Y32 HydrophobicContact CE1-CE1 4.22Å; F13-Y32 HydrophobicContact CG-CD1 4.42Å; T16-Y32 HydrophobicContact CG2-CD1 4.1Å; T16-Y32 HydrophobicContact CG2-CD2 3.76Å; T16-Y32 HydrophobicContact CG2-CE1 4.06Å; T16-Y32 HydrophobicContact CG2-CE2 3.73Å; T16-Y32 HydrophobicContact CG2-CG 3.94Å; Y20-Y32 AromaticContact CD2-CD2 3.56Å; Y20-Y32 HydrophobicContact CD2-CD2 3.56Å; Y20-Y32 AromaticContact CD2-CE2 3.76Å; Y20-Y32 HydrophobicContact CD2-CE2 3.76Å; Y20-Y32 AromaticContact CE2-CD2 3.67Å; Y20-Y32 HydrophobicContact CE2-CD2 3.67Å; Y20-Y32 AromaticContact CE2-CE2 3.32Å; Y20-Y32 HydrophobicContact CE2-CE2 3.32Å; E28-Y32 VanDerWaalsContact O-CD2 3.22Å; E28-Y32 WeakPolarHBondContact O-CD2 3.3Å; E28-Y32 PolarHBondContact O-N 3.06Å; A29-Y32 PolarHBondContact O-N 3.02Å; Y32-E35 PolarHBondContact O-N 2.93Å; Y32-A36 WeakPolarHBondContact O-CB 3.22Å; Y32-A36 PolarHBondContact O-N 2.91Å; Y32-M283 HydrophobicContact CD2-CE 4.37Å; Y32-M283 HydrophobicContact CE2-CE 3.38Å; Y32-M283 WeakPolarHBondContact OH-CE 3.38Å |
| 33 | Y | 81.3 | Confident | 74.9 | Confident | 15 Ų | 15 | 33.9 Ų | 33.9 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.3 | -39.5 | 171.3 | -79.5 | -59.6 | 0 | 0 | 0 | 111.6 | A17 V18 D21 A29 F31 A36 A37 Y60 R63 V64 L67 | A17-Y33 HydrophobicContact CB-CD1 3.55Å; A17-Y33 HydrophobicContact CB-CD2 3.75Å; A17-Y33 HydrophobicContact CB-CE1 3.71Å; A17-Y33 HydrophobicContact CB-CE2 3.9Å; A17-Y33 HydrophobicContact CB-CG 3.56Å; V18-Y33 HydrophobicContact CG2-CE1 4.19Å; V18-Y33 WeakPolarHBondContact CG2-OH 3.42Å; D21-Y33 HydrophobicContact CB-CE2 4.01Å; D21-Y33 VanDerWaalsContact OD2-CE2 3.31Å; D21-Y33 WeakPolarHBondContact OD2-CE2 3.24Å; D21-Y33 PolarHBondContact OD2-OH 2.68Å; A29-Y33 HydrophobicContact CB-CD2 4.36Å; A29-Y33 HydrophobicContact CB-CE2 4.29Å; A29-Y33 WeakPolarHBondContact O-CB 3.2Å; A29-Y33 WeakPolarHBondContact O-CD2 3.4Å; A29-Y33 PolarHBondContact O-N 3.28Å; F31-Y33 PolarHBondContact O-N 2.9Å; Y33-A36 PolarHBondContact O-N 3.49Å; Y33-A37 WeakPolarHBondContact O-CB 3.39Å; Y33-A37 PolarHBondContact O-N 3.21Å; Y33-Y60 AromaticContact CD1-CD1 3.79Å; Y33-Y60 HydrophobicContact CD1-CD1 3.79Å; Y33-Y60 HydrophobicContact CD1-CE1 4.43Å; Y33-Y60 HydrophobicContact CD1-CG 4.08Å; Y33-Y60 HydrophobicContact CE1-CD1 4.04Å; Y33-Y60 HydrophobicContact CE1-CE1 4.39Å; Y33-R63 HydrophobicContact CD2-CG 4.19Å; Y33-R63 HydrophobicContact CE2-CG 3.76Å; Y33-V64 VanDerWaalsContact CB-CG2 3.41Å; Y33-V64 HydrophobicContact CG-CG2 4.43Å; Y33-L67 HydrophobicContact CD2-CD1 3.84Å; Y33-L67 HydrophobicContact CE2-CD1 3.76Å |
| 34 | K | 76.5 | Confident | 74.1 | Confident | 80 Ų | 80 | 30.2 Ų | 30.2 | 35% | 0.348 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 172.8 | -74.2 | 177.3 | -176.9 | 174.6 | 0 | 111.6 | V30 F31 A36 A37 Q38 V64 | V30-K34 HydrophobicContact CG1-CD 4.29Å; V30-K34 WeakPolarHBondContact O-CG 3.38Å; V30-K34 PolarHBondContact O-N 3.23Å; V30-K34 VanDerWaalsContact O-N 3.09Å; F31-K34 WeakPolarHBondContact O-CB 3.38Å; F31-K34 PolarHBondContact O-N 3.13Å; K34-A36 VanDerWaalsContact C-N 3.33Å; K34-A36 PolarHBondContact O-N 3.11Å; K34-A37 PolarHBondContact O-N 2.88Å; K34-Q38 VanDerWaalsContact O-CB 3.27Å; K34-Q38 WeakPolarHBondContact O-CB 3.12Å; K34-Q38 PolarHBondContact O-N 3.42Å; K34-V64 HydrophobicContact CD-CG1 4.39Å; K34-V64 VanDerWaalsContact CE-CG1 3.46Å; K34-V64 HydrophobicContact CG-CG1 4.06Å; K34-V64 HydrophobicContact CG-CG2 3.89Å |
| 35 | E | 76.8 | Confident | 73 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 6% | 0.061 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.5 | -33.7 | 178.3 | -73.6 | -68.1 | 128.7 | 0 | 0 | 112.6 | F13 F31 Y32 A39 S284 S286 R312 | F13-E35 HydrophobicContact CD2-CB 4.04Å; F13-E35 HydrophobicContact CE2-CB 4.33Å; F13-E35 HydrophobicContact CG-CB 4.14Å; F31-E35 HydrophobicContact CD1-CG 4.47Å; F31-E35 HydrophobicContact CE1-CG 4.06Å; F31-E35 HydrophobicContact CE2-CG 4.2Å; F31-E35 HydrophobicContact CZ-CG 3.93Å; F31-E35 PolarHBondContact O-N 3.41Å; Y32-E35 PolarHBondContact O-N 2.93Å; E35-A39 VanDerWaalsContact O-CB 3.25Å; E35-A39 WeakPolarHBondContact O-CB 3.43Å; E35-A39 PolarHBondContact O-N 3.26Å; E35-S284 PolarHBondContact OE2-OG 2.82Å; E35-S286 PolarHBondContact OE1-OG 3.43Å; E35-S286 VanDerWaalsContact OE1-OG 3.13Å; E35-R312 IonicContact OE2-CZ 3.38Å; E35-R312 IonicContact OE2-NH1 3.07Å; E35-R312 PolarHBondContact OE2-NH1 3.06Å; E35-R312 IonicContact OE2-NH2 3.14Å |
| 36 | A | 81.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.5 | -49.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F13 A14 Y32 Y33 K34 Q38 A39 L40 Y60 | F13-A36 HydrophobicContact CB-CB 3.72Å; A14-A36 HydrophobicContact CB-CB 4.03Å; Y32-A36 WeakPolarHBondContact O-CB 3.22Å; Y32-A36 PolarHBondContact O-N 2.91Å; Y33-A36 PolarHBondContact O-N 3.49Å; K34-A36 VanDerWaalsContact C-N 3.33Å; K34-A36 PolarHBondContact O-N 3.11Å; A36-Q38 VanDerWaalsContact C-N 3.27Å; A36-Q38 PolarHBondContact O-N 2.86Å; A36-A39 PolarHBondContact O-N 3.31Å; A36-L40 WeakPolarHBondContact O-CG 3.45Å; A36-L40 PolarHBondContact O-N 2.95Å; A36-Y60 HydrophobicContact CB-CD2 3.92Å; A36-Y60 HydrophobicContact CB-CE2 3.94Å |
| 37 | A | 76 | Confident | 71.4 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.3 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y33 K34 L40 I41 V57 Y60 L61 | Y33-A37 WeakPolarHBondContact O-CB 3.39Å; Y33-A37 PolarHBondContact O-N 3.21Å; K34-A37 PolarHBondContact O-N 2.88Å; A37-L40 PolarHBondContact O-N 2.91Å; A37-I41 VanDerWaalsContact O-CG1 3.29Å; A37-I41 WeakPolarHBondContact O-CG1 3.48Å; A37-I41 PolarHBondContact O-N 2.84Å; A37-V57 HydrophobicContact CB-CG1 4.35Å; A37-Y60 HydrophobicContact CB-CD2 4.41Å; A37-L61 HydrophobicContact CB-CD2 4.17Å; A37-L61 HydrophobicContact CB-CG 4.24Å |
| 38 | Q | 68.4 | Low | 71.6 | Confident | 42 Ų | 42 | 21.3 Ų | 21.3 | 20% | 0.196 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 179.2 | -164.8 | 66.7 | 22.3 | 0 | 0 | 112.5 | K34 A36 L40 I41 Y42 | K34-Q38 VanDerWaalsContact O-CB 3.27Å; K34-Q38 WeakPolarHBondContact O-CB 3.12Å; K34-Q38 PolarHBondContact O-N 3.42Å; A36-Q38 VanDerWaalsContact C-N 3.27Å; A36-Q38 PolarHBondContact O-N 2.86Å; Q38-L40 VanDerWaalsContact C-N 3.32Å; Q38-L40 PolarHBondContact O-N 3.35Å; Q38-I41 WeakPolarHBondContact O-CB 3.36Å; Q38-I41 PolarHBondContact O-N 2.64Å; Q38-Y42 HydrophobicContact CG-CD2 3.98Å; Q38-Y42 HydrophobicContact CG-CE2 3.59Å; Q38-Y42 VanDerWaalsContact NE2-CE2 3.29Å; Q38-Y42 PolarHBondContact NE2-OH 2.94Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.19Å; Q38-Y42 PolarHBondContact O-N 2.87Å |
| 39 | A | 72.4 | Confident | 71.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D9 A10 F13 E35 A36 Y42 A43 | D9-A39 HydrophobicContact CB-CB 4.49Å; A10-A39 HydrophobicContact CB-CB 3.65Å; F13-A39 HydrophobicContact CD2-CB 4.19Å; E35-A39 VanDerWaalsContact O-CB 3.25Å; E35-A39 WeakPolarHBondContact O-CB 3.43Å; E35-A39 PolarHBondContact O-N 3.26Å; A36-A39 PolarHBondContact O-N 3.31Å; A39-Y42 PolarHBondContact O-N 3.43Å; A39-A43 WeakPolarHBondContact O-CB 3.21Å; A39-A43 PolarHBondContact O-N 2.77Å |
| 40 | L | 74.6 | Confident | 71.2 | Confident | 18 Ų | 18 | 34 Ų | 34 | 9% | 0.094 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 173.2 | -70 | 178.9 | 0 | 0 | 0 | 112.1 | A10 A36 A37 Q38 Y42 A43 G44 L53 K56 V57 Y60 | A10-L40 HydrophobicContact CB-CD2 3.36Å; A10-L40 HydrophobicContact CB-CG 3.62Å; A36-L40 WeakPolarHBondContact O-CG 3.45Å; A36-L40 PolarHBondContact O-N 2.95Å; A37-L40 PolarHBondContact O-N 2.91Å; Q38-L40 VanDerWaalsContact C-N 3.32Å; Q38-L40 PolarHBondContact O-N 3.35Å; L40-Y42 VanDerWaalsContact C-N 3.27Å; L40-Y42 PolarHBondContact O-N 2.88Å; L40-A43 PolarHBondContact O-N 3.2Å; L40-G44 PolarHBondContact O-N 2.9Å; L40-L53 HydrophobicContact CB-CD2 3.7Å; L40-L53 HydrophobicContact CD2-CD2 3.55Å; L40-L53 HydrophobicContact CG-CD2 4.08Å; L40-K56 HydrophobicContact CD1-CB 3.84Å; L40-V57 HydrophobicContact CB-CG2 3.64Å; L40-V57 HydrophobicContact CD1-CG2 4.21Å; L40-Y60 HydrophobicContact CD1-CD2 4.02Å; L40-Y60 HydrophobicContact CD1-CE2 3.56Å |
| 41 | I | 66.8 | Low | 70.8 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 172.6 | -68.9 | 166.1 | 0 | 0 | 0 | 109.6 | A37 Q38 G44 M45 V57 N514 | A37-I41 VanDerWaalsContact O-CG1 3.29Å; A37-I41 WeakPolarHBondContact O-CG1 3.48Å; A37-I41 PolarHBondContact O-N 2.84Å; Q38-I41 WeakPolarHBondContact O-CB 3.36Å; Q38-I41 PolarHBondContact O-N 2.64Å; I41-G44 PolarHBondContact O-N 3.48Å; I41-M45 HydrophobicContact CG2-SD 4.12Å; I41-M45 VanDerWaalsContact O-CG 3.28Å; I41-M45 WeakPolarHBondContact O-CG 3.28Å; I41-M45 PolarHBondContact O-N 3.26Å; I41-V57 HydrophobicContact CD1-CG1 3.9Å; I41-V57 HydrophobicContact CG1-CG1 3.93Å; I41-V57 HydrophobicContact CG1-CG2 3.9Å; I41-N514 PolarHBondContact O-ND2 2.86Å |
| 42 | Y | 60.5 | Low | 70.7 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 8% | 0.078 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.8 | -37.5 | 177.6 | -77.6 | -57.5 | 0 | 0 | 0 | 114 | M1 Q38 A39 L40 G44 M45 A46 F288 | M1-Y42 HydrophobicContact SD-CD1 4.44Å; Q38-Y42 HydrophobicContact CG-CD2 3.98Å; Q38-Y42 HydrophobicContact CG-CE2 3.59Å; Q38-Y42 VanDerWaalsContact NE2-CE2 3.29Å; Q38-Y42 PolarHBondContact NE2-OH 2.94Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.19Å; Q38-Y42 PolarHBondContact O-N 2.87Å; A39-Y42 PolarHBondContact O-N 3.43Å; L40-Y42 VanDerWaalsContact C-N 3.27Å; L40-Y42 PolarHBondContact O-N 2.88Å; Y42-G44 VanDerWaalsContact C-N 3.28Å; Y42-G44 PolarHBondContact O-N 2.69Å; Y42-M45 HydrophobicContact CD1-CE 4.23Å; Y42-M45 HydrophobicContact CD1-SD 3.42Å; Y42-M45 WeakPolarHBondContact CD1-SD 3.08Å; Y42-M45 HydrophobicContact CE1-CE 3.95Å; Y42-M45 HydrophobicContact CE1-SD 3.45Å; Y42-M45 WeakPolarHBondContact CE1-SD 3.35Å; Y42-M45 HydrophobicContact CG-SD 4.4Å; Y42-M45 CarbonylContact O-C 3.57Å; Y42-M45 WeakPolarHBondContact O-CB 3.29Å; Y42-M45 PolarHBondContact O-N 3.47Å; Y42-M45 VanDerWaalsContact O-N 3.14Å; Y42-A46 VanDerWaalsContact O-CB 3.3Å; Y42-A46 WeakPolarHBondContact O-CB 3.34Å; Y42-A46 PolarHBondContact O-N 2.69Å; Y42-F288 AromaticContact CE2-CE2 3.7Å; Y42-F288 HydrophobicContact CE2-CE2 3.7Å; Y42-F288 HydrophobicContact CE2-CZ 4.13Å; Y42-F288 AromaticContact CZ-CE2 3.8Å; Y42-F288 AromaticContact CZ-CZ 3.75Å; Y42-F288 VanDerWaalsContact OH-CE2 3.25Å; Y42-F288 WeakPolarHBondContact OH-CE2 3.35Å; Y42-F288 WeakPolarHBondContact OH-CZ 3.35Å |
| 43 | A | 67.4 | Low | 70.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | C3 L6 E7 A39 L40 M45 A46 G47 S48 | C3-A43 PolarHBondContact SG-O 2.81Å; C3-A43 VanDerWaalsContact SG-O 3.34Å; L6-A43 HydrophobicContact CB-CB 3.93Å; E7-A43 HydrophobicContact CG-CB 3.76Å; A39-A43 WeakPolarHBondContact O-CB 3.21Å; A39-A43 PolarHBondContact O-N 2.77Å; L40-A43 PolarHBondContact O-N 3.2Å; A43-M45 PolarHBondContact O-N 3Å; A43-A46 CarbonylContact O-C 3.55Å; A43-A46 PolarHBondContact O-N 3.38Å; A43-A46 VanDerWaalsContact O-N 3.15Å; A43-G47 PolarHBondContact O-N 2.63Å; A43-S48 WeakPolarHBondContact O-CB 3.44Å; A43-S48 PolarHBondContact O-N 2.98Å |
| 44 | G | 64.3 | Low | 69.7 | Low | 28 Ų | 28 | 47.9 Ų | 47.9 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56 | -48.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L40 I41 Y42 A46 G47 | L40-G44 PolarHBondContact O-N 2.9Å; I41-G44 PolarHBondContact O-N 3.48Å; Y42-G44 VanDerWaalsContact C-N 3.28Å; Y42-G44 PolarHBondContact O-N 2.69Å; G44-A46 PolarHBondContact O-N 2.78Å; G44-G47 PolarHBondContact O-N 2.84Å; G44-G47 VanDerWaalsContact O-N 3.08Å |
| 45 | M | 55.1 | Low | 69.6 | Low | 14 Ų | 14 | 49.8 Ų | 49.8 | 7% | 0.069 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -26 | 176.5 | -69.4 | 171.4 | 76.2 | 0 | 0 | 114 | I41 Y42 A43 G47 R474 N514 W530 | I41-M45 HydrophobicContact CG2-SD 4.12Å; I41-M45 VanDerWaalsContact O-CG 3.28Å; I41-M45 WeakPolarHBondContact O-CG 3.28Å; I41-M45 PolarHBondContact O-N 3.26Å; Y42-M45 HydrophobicContact CD1-CE 4.23Å; Y42-M45 HydrophobicContact CD1-SD 3.42Å; Y42-M45 WeakPolarHBondContact CD1-SD 3.08Å; Y42-M45 HydrophobicContact CE1-CE 3.95Å; Y42-M45 HydrophobicContact CE1-SD 3.45Å; Y42-M45 WeakPolarHBondContact CE1-SD 3.35Å; Y42-M45 HydrophobicContact CG-SD 4.4Å; Y42-M45 CarbonylContact O-C 3.57Å; Y42-M45 WeakPolarHBondContact O-CB 3.29Å; Y42-M45 PolarHBondContact O-N 3.47Å; Y42-M45 VanDerWaalsContact O-N 3.14Å; A43-M45 PolarHBondContact O-N 3Å; M45-G47 VanDerWaalsContact C-N 3.33Å; M45-R474 PolarHBondContact O-NH1 3.11Å; M45-R474 PolarHBondContact O-NH2 3.29Å; M45-N514 HydrophobicContact CG-CB 3.4Å; M45-N514 VanDerWaalsContact CG-CB 3.4Å; M45-N514 HydrophobicContact SD-CB 4.47Å; M45-W530 HydrophobicContact CE-CZ2 4.03Å |
| 46 | A | 55.4 | Low | 69.7 | Low | 27 Ų | 27 | 53.4 Ų | 53.4 | 22% | 0.223 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -0.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | M1 C3 L6 Y42 A43 G44 | M1-A46 HydrophobicContact CB-CB 3.55Å; M1-A46 HydrophobicContact SD-CB 4.44Å; C3-A46 HydrophobicContact CB-CB 4.06Å; L6-A46 HydrophobicContact CD1-CB 3.82Å; Y42-A46 VanDerWaalsContact O-CB 3.3Å; Y42-A46 WeakPolarHBondContact O-CB 3.34Å; Y42-A46 PolarHBondContact O-N 2.69Å; A43-A46 CarbonylContact O-C 3.55Å; A43-A46 PolarHBondContact O-N 3.38Å; A43-A46 VanDerWaalsContact O-N 3.15Å; G44-A46 PolarHBondContact O-N 2.78Å |
| 47 | G | 62.3 | Low | 69.5 | Low | 53 Ų | 53 | 53.9 Ų | 53.9 | 55% | 0.546 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | 28.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A43 G44 M45 | A43-G47 PolarHBondContact O-N 2.63Å; G44-G47 PolarHBondContact O-N 2.84Å; G44-G47 VanDerWaalsContact O-N 3.08Å; M45-G47 VanDerWaalsContact C-N 3.33Å |
| 48 | S | 73 | Confident | 69.4 | Low | 23 Ų | 23 | 56.6 Ų | 56.6 | 16% | 0.161 | 31% | 0.313 | C | S | . | . | trans | -55.8 | 140.6 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 112.5 | C3 E7 A43 L50 | C3-S48 WeakPolarHBondContact SG-CA 3.4Å; C3-S48 WeakPolarHBondContact SG-CB 3.18Å; C3-S48 PolarHBondContact SG-N 3.16Å; E7-S48 VanDerWaalsContact OE1-CB 3.24Å; E7-S48 WeakPolarHBondContact OE1-CB 3.26Å; E7-S48 PolarHBondContact OE1-OG 3.31Å; A43-S48 WeakPolarHBondContact O-CB 3.44Å; A43-S48 PolarHBondContact O-N 2.98Å; S48-L50 WeakPolarHBondContact OG-CB 3.4Å; S48-L50 PolarHBondContact OG-N 2.8Å; S48-L50 VanDerWaalsContact OG-N 3.13Å | ||
| 49 | K | 73.4 | Confident | 70.2 | Confident | 201 Ų | 201 | 59.2 Ų | 59.2 | 87% | 0.874 | 33% | 0.325 | S | S | * | . | trans | -98.8 | 6.2 | 173.5 | -62.2 | -174.8 | -179.3 | -179.2 | 0 | 112.8 | E51 | K49-E51 PolarHBondContact O-N 2.89Š| ||
| 50 | L | 73.5 | Confident | 70.7 | Confident | 90 Ų | 90 | 60.8 Ų | 60.8 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | trans | -65.3 | 120.3 | 177.4 | -76 | 167.3 | 0 | 0 | 0 | 110.2 | E7 S48 L53 | E7-L50 HydrophobicContact CB-CD1 4.07Å; E7-L50 HydrophobicContact CG-CD1 3.51Å; S48-L50 WeakPolarHBondContact OG-CB 3.4Å; S48-L50 PolarHBondContact OG-N 2.8Å; S48-L50 VanDerWaalsContact OG-N 3.13Å; L50-L53 HydrophobicContact CB-CD1 3.91Å; L50-L53 HydrophobicContact CB-CG 3.95Å; L50-L53 VanDerWaalsContact O-CD1 3.3Å; L50-L53 WeakPolarHBondContact O-CD1 3.34Å; L50-L53 WeakPolarHBondContact O-CG 3.41Å | ||
| 51 | E | 70.1 | Confident | 70.9 | Confident | 193 Ų | 193 | 61.4 Ų | 61.4 | 90% | 0.902 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 144.5 | 174.7 | -64.4 | -173.7 | 167.8 | 0 | 0 | 110.6 | K49 L53 | K49-E51 PolarHBondContact O-N 2.89Å; E51-L53 PolarHBondContact O-N 2.97Å |
| 52 | G | 73.6 | Confident | 71.5 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 37% | 0.371 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 15.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q54 D55 K56 | G52-Q54 VanDerWaalsContact C-N 3.33Å; G52-Q54 PolarHBondContact O-N 3.05Å; G52-D55 PolarHBondContact O-N 3.22Å; G52-K56 PolarHBondContact O-N 2.86Å |
| 53 | L | 73.4 | Confident | 72.6 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -52.7 | -46.7 | 177.3 | -93.6 | 161.2 | 0 | 0 | 0 | 113.3 | L40 L50 E51 K56 V57 | L40-L53 HydrophobicContact CB-CD2 3.7Å; L40-L53 HydrophobicContact CD2-CD2 3.55Å; L40-L53 HydrophobicContact CG-CD2 4.08Å; L50-L53 HydrophobicContact CB-CD1 3.91Å; L50-L53 HydrophobicContact CB-CG 3.95Å; L50-L53 VanDerWaalsContact O-CD1 3.3Å; L50-L53 WeakPolarHBondContact O-CD1 3.34Å; L50-L53 WeakPolarHBondContact O-CG 3.41Å; E51-L53 PolarHBondContact O-N 2.97Å; L53-K56 PolarHBondContact O-N 2.82Å; L53-V57 VanDerWaalsContact O-CG2 3.26Å; L53-V57 WeakPolarHBondContact O-CG2 3.49Å; L53-V57 PolarHBondContact O-N 2.66Å |
| 54 | Q | 67.8 | Low | 73.2 | Confident | 107 Ų | 107 | 68.6 Ų | 68.6 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | -179.2 | -69.3 | -66.9 | -22.4 | 0 | 0 | 111.9 | G52 V57 S58 N514 | G52-Q54 VanDerWaalsContact C-N 3.33Å; G52-Q54 PolarHBondContact O-N 3.05Å; Q54-V57 PolarHBondContact O-N 2.86Å; Q54-S58 PolarHBondContact O-N 3.38Å; Q54-N514 PolarHBondContact NE2-OD1 2.95Å; Q54-N514 VanDerWaalsContact NE2-OD1 3.12Å |
| 55 | D | 74.4 | Confident | 73.8 | Confident | 120 Ų | 120 | 72.6 Ų | 72.6 | 64% | 0.642 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | 176.9 | -56.6 | -37.1 | 0 | 0 | 0 | 110.7 | G52 S58 E59 | G52-D55 PolarHBondContact O-N 3.22Å; D55-S58 PolarHBondContact O-N 3.12Å; D55-E59 WeakPolarHBondContact O-CB 3.48Å; D55-E59 PolarHBondContact O-N 3.09Å |
| 56 | K | 80.3 | Confident | 75.1 | Confident | 89 Ų | 89 | 74.3 Ų | 74.3 | 39% | 0.387 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 175 | -81.7 | -72.5 | 170.3 | -158.3 | 0 | 113.3 | L40 G52 L53 E59 Y60 | L40-K56 HydrophobicContact CD1-CB 3.84Å; G52-K56 PolarHBondContact O-N 2.86Å; L53-K56 PolarHBondContact O-N 2.82Å; K56-E59 WeakPolarHBondContact CD-OE2 3.04Å; K56-E59 WeakPolarHBondContact CE-OE2 3.35Å; K56-E59 VanDerWaalsContact NZ-CD 3.35Å; K56-E59 IonicContact NZ-OE1 3.59Å; K56-E59 PolarHBondContact NZ-OE1 3.19Å; K56-E59 IonicContact NZ-OE2 2.64Å; K56-E59 PolarHBondContact NZ-OE2 3.03Å; K56-E59 PolarHBondContact O-N 2.87Å; K56-Y60 HydrophobicContact CD-CE1 4.49Å; K56-Y60 WeakPolarHBondContact O-CD2 3.4Å; K56-Y60 VanDerWaalsContact O-CG 3.3Å; K56-Y60 PolarHBondContact O-N 2.89Å |
| 57 | V | 77 | Confident | 76.2 | Confident | 10 Ų | 10 | 73.3 Ų | 73.3 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 172.9 | 168.3 | 0 | 0 | 0 | 0 | 110 | A37 L40 I41 L53 Q54 E59 Y60 L61 | A37-V57 HydrophobicContact CB-CG1 4.35Å; L40-V57 HydrophobicContact CB-CG2 3.64Å; L40-V57 HydrophobicContact CD1-CG2 4.21Å; I41-V57 HydrophobicContact CD1-CG1 3.9Å; I41-V57 HydrophobicContact CG1-CG1 3.93Å; I41-V57 HydrophobicContact CG1-CG2 3.9Å; L53-V57 VanDerWaalsContact O-CG2 3.26Å; L53-V57 WeakPolarHBondContact O-CG2 3.49Å; L53-V57 PolarHBondContact O-N 2.66Å; Q54-V57 PolarHBondContact O-N 2.86Å; V57-E59 PolarHBondContact O-N 2.98Å; V57-Y60 PolarHBondContact O-N 3.05Å; V57-L61 HydrophobicContact CG1-CD1 3.89Å; V57-L61 HydrophobicContact CG1-CG 4.46Å; V57-L61 WeakPolarHBondContact O-CB 3.27Å; V57-L61 VanDerWaalsContact O-CG 3.26Å; V57-L61 WeakPolarHBondContact O-CG 3.31Å; V57-L61 PolarHBondContact O-N 3.06Å |
| 58 | S | 74 | Confident | 76.6 | Confident | 59 Ų | 59 | 74.6 Ų | 74.6 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 176.5 | -162.4 | 0 | 0 | 0 | 0 | 111.6 | Q54 D55 Y60 L61 D62 | Q54-S58 PolarHBondContact O-N 3.38Å; D55-S58 PolarHBondContact O-N 3.12Å; S58-Y60 PolarHBondContact O-N 2.77Å; S58-L61 PolarHBondContact O-N 3.36Å; S58-L61 VanDerWaalsContact O-N 3.16Å; S58-D62 WeakPolarHBondContact O-CB 3.3Å; S58-D62 VanDerWaalsContact O-CG 3.26Å; S58-D62 PolarHBondContact O-N 2.81Å |
| 59 | E | 84.3 | Confident | 76.3 | Confident | 97 Ų | 97 | 78.3 Ų | 78.3 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57 | -47 | 178.1 | -176.5 | -171.6 | 150.2 | 0 | 0 | 112.1 | D55 K56 V57 D62 R63 | D55-E59 WeakPolarHBondContact O-CB 3.48Å; D55-E59 PolarHBondContact O-N 3.09Å; K56-E59 WeakPolarHBondContact CD-OE2 3.04Å; K56-E59 WeakPolarHBondContact CE-OE2 3.35Å; K56-E59 VanDerWaalsContact NZ-CD 3.35Å; K56-E59 IonicContact NZ-OE1 3.59Å; K56-E59 PolarHBondContact NZ-OE1 3.19Å; K56-E59 IonicContact NZ-OE2 2.64Å; K56-E59 PolarHBondContact NZ-OE2 3.03Å; K56-E59 PolarHBondContact O-N 2.87Å; V57-E59 PolarHBondContact O-N 2.98Å; E59-D62 PolarHBondContact O-N 3.2Å; E59-R63 WeakPolarHBondContact O-CB 3.2Å; E59-R63 PolarHBondContact O-N 2.99Å |
| 60 | Y | 84.6 | Confident | 75.9 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 13% | 0.129 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 177.8 | -65.2 | -19.3 | 0 | 0 | 0 | 112.3 | A14 Y33 A36 A37 L40 K56 V57 S58 R63 V64 | A14-Y60 HydrophobicContact CB-CE1 4.37Å; A14-Y60 HydrophobicContact CB-CE2 3.94Å; A14-Y60 VanDerWaalsContact CB-OH 3.25Å; A14-Y60 WeakPolarHBondContact CB-OH 3.49Å; Y33-Y60 AromaticContact CD1-CD1 3.79Å; Y33-Y60 HydrophobicContact CD1-CD1 3.79Å; Y33-Y60 HydrophobicContact CD1-CE1 4.43Å; Y33-Y60 HydrophobicContact CD1-CG 4.08Å; Y33-Y60 HydrophobicContact CE1-CD1 4.04Å; Y33-Y60 HydrophobicContact CE1-CE1 4.39Å; A36-Y60 HydrophobicContact CB-CD2 3.92Å; A36-Y60 HydrophobicContact CB-CE2 3.94Å; A37-Y60 HydrophobicContact CB-CD2 4.41Å; L40-Y60 HydrophobicContact CD1-CD2 4.02Å; L40-Y60 HydrophobicContact CD1-CE2 3.56Å; K56-Y60 HydrophobicContact CD-CE1 4.49Å; K56-Y60 WeakPolarHBondContact O-CD2 3.4Å; K56-Y60 VanDerWaalsContact O-CG 3.3Å; K56-Y60 PolarHBondContact O-N 2.89Å; V57-Y60 PolarHBondContact O-N 3.05Å; S58-Y60 PolarHBondContact O-N 2.77Å; Y60-R63 PolarHBondContact O-N 3.45Å; Y60-V64 WeakPolarHBondContact O-CB 3.44Å; Y60-V64 VanDerWaalsContact O-CG2 3.23Å; Y60-V64 WeakPolarHBondContact O-CG2 3.47Å; Y60-V64 PolarHBondContact O-N 3.22Å |
| 61 | L | 77 | Confident | 75.4 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 177.6 | -68.8 | 176.1 | 0 | 0 | 0 | 112.4 | A37 V57 S58 R63 V64 Q65 | A37-L61 HydrophobicContact CB-CD2 4.17Å; A37-L61 HydrophobicContact CB-CG 4.24Å; V57-L61 HydrophobicContact CG1-CD1 3.89Å; V57-L61 HydrophobicContact CG1-CG 4.46Å; V57-L61 WeakPolarHBondContact O-CB 3.27Å; V57-L61 VanDerWaalsContact O-CG 3.26Å; V57-L61 WeakPolarHBondContact O-CG 3.31Å; V57-L61 PolarHBondContact O-N 3.06Å; S58-L61 PolarHBondContact O-N 3.36Å; S58-L61 VanDerWaalsContact O-N 3.16Å; L61-R63 VanDerWaalsContact C-N 3.34Å; L61-V64 WeakPolarHBondContact O-CB 3.46Å; L61-V64 PolarHBondContact O-N 3.07Å; L61-Q65 PolarHBondContact O-N 3.03Å |
| 62 | D | 80.4 | Confident | 74.6 | Confident | 93 Ų | 93 | 65.8 Ų | 65.8 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 174.9 | -70 | -26.4 | 0 | 0 | 0 | 110.5 | S58 E59 V64 Q65 A66 | S58-D62 WeakPolarHBondContact O-CB 3.3Å; S58-D62 VanDerWaalsContact O-CG 3.26Å; S58-D62 PolarHBondContact O-N 2.81Å; E59-D62 PolarHBondContact O-N 3.2Å; D62-V64 PolarHBondContact O-N 3.24Å; D62-Q65 PolarHBondContact O-N 2.91Å; D62-A66 PolarHBondContact O-N 3.4Å |
| 63 | R | 84.3 | Confident | 73.5 | Confident | 110 Ų | 110 | 68.7 Ų | 68.7 | 42% | 0.415 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 173.5 | -172.4 | 60.9 | 177.9 | 175 | 4.8 | 111.8 | D21 Y33 E59 Y60 L61 Q65 A66 L67 | D21-R63 VanDerWaalsContact CG-NH2 3.33Å; D21-R63 IonicContact OD1-CZ 2.67Å; D21-R63 IonicContact OD1-NE 2.71Å; D21-R63 IonicContact OD1-NH2 3.79Å; D21-R63 PolarHBondContact OD1-NH2 2.99Å; D21-R63 IonicContact OD2-CZ 3.12Å; D21-R63 IonicContact OD2-NE 3.2Å; D21-R63 PolarHBondContact OD2-NE 2.97Å; D21-R63 IonicContact OD2-NH2 3.6Å; D21-R63 PolarHBondContact OD2-NH2 2.77Å; D21-R63 VanDerWaalsContact OD2-NH2 3.14Å; Y33-R63 HydrophobicContact CD2-CG 4.19Å; Y33-R63 HydrophobicContact CE2-CG 3.76Å; E59-R63 WeakPolarHBondContact O-CB 3.2Å; E59-R63 PolarHBondContact O-N 2.99Å; Y60-R63 PolarHBondContact O-N 3.45Å; L61-R63 VanDerWaalsContact C-N 3.34Å; R63-Q65 VanDerWaalsContact C-N 3.29Å; R63-Q65 PolarHBondContact O-N 3.26Å; R63-A66 PolarHBondContact O-N 3.25Å; R63-L67 HydrophobicContact CG-CD1 4.1Å; R63-L67 HydrophobicContact CG-CG 4.36Å; R63-L67 WeakPolarHBondContact O-CB 3.35Å; R63-L67 VanDerWaalsContact O-CG 3.27Å; R63-L67 WeakPolarHBondContact O-CG 3.45Å; R63-L67 PolarHBondContact O-N 3.47Å |
| 64 | V | 80 | Confident | 72.4 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.3 | -43 | 173.4 | 160.3 | 0 | 0 | 0 | 0 | 111.3 | V30 Y33 K34 Y60 L61 D62 L67 H68 | V30-V64 HydrophobicContact CG1-CG1 4.07Å; Y33-V64 VanDerWaalsContact CB-CG2 3.41Å; Y33-V64 HydrophobicContact CG-CG2 4.43Å; K34-V64 HydrophobicContact CD-CG1 4.39Å; K34-V64 VanDerWaalsContact CE-CG1 3.46Å; K34-V64 HydrophobicContact CG-CG1 4.06Å; K34-V64 HydrophobicContact CG-CG2 3.89Å; Y60-V64 WeakPolarHBondContact O-CB 3.44Å; Y60-V64 VanDerWaalsContact O-CG2 3.23Å; Y60-V64 WeakPolarHBondContact O-CG2 3.47Å; Y60-V64 PolarHBondContact O-N 3.22Å; L61-V64 WeakPolarHBondContact O-CB 3.46Å; L61-V64 PolarHBondContact O-N 3.07Å; D62-V64 PolarHBondContact O-N 3.24Å; V64-L67 PolarHBondContact O-N 3.12Å; V64-H68 WeakPolarHBondContact O-CB 3.45Å; V64-H68 PolarHBondContact O-N 2.92Å |
| 65 | Q | 76.7 | Confident | 71.4 | Confident | 112 Ų | 112 | 77 Ų | 77 | 52% | 0.523 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 178.6 | -170.3 | 170.7 | -0.3 | 0 | 0 | 111.8 | L61 D62 R63 L67 H68 N69 | L61-Q65 PolarHBondContact O-N 3.03Å; D62-Q65 PolarHBondContact O-N 2.91Å; R63-Q65 VanDerWaalsContact C-N 3.29Å; R63-Q65 PolarHBondContact O-N 3.26Å; Q65-L67 VanDerWaalsContact C-N 3.34Å; Q65-L67 PolarHBondContact O-N 3.18Å; Q65-H68 PolarHBondContact O-N 2.72Å; Q65-N69 PolarHBondContact O-N 3.18Å; Q65-N69 VanDerWaalsContact O-N 3.16Å; Q65-N69 PolarHBondContact O-ND2 2.9Å |
| 66 | A | 80.9 | Confident | 70.4 | Confident | 50 Ų | 50 | 76.5 Ų | 76.5 | 41% | 0.413 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | D62 R63 N69 A70 | D62-A66 PolarHBondContact O-N 3.4Å; R63-A66 PolarHBondContact O-N 3.25Å; A66-N69 PolarHBondContact O-N 3.29Å; A66-A70 PolarHBondContact O-N 2.84Å; A66-A70 VanDerWaalsContact O-N 3.16Å |
| 67 | L | 79.4 | Confident | 69.4 | Low | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.026 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.7 | -35.7 | 177.3 | -69.8 | 177.1 | 0 | 0 | 0 | 112.5 | Y26 A29 V30 Y33 R63 V64 Q65 N69 A70 V71 | Y26-L67 HydrophobicContact CD1-CD2 3.56Å; Y26-L67 HydrophobicContact CE1-CD2 4.1Å; Y26-L67 HydrophobicContact CG-CD2 4.24Å; A29-L67 HydrophobicContact CB-CD1 3.93Å; V30-L67 HydrophobicContact CG2-CB 3.47Å; V30-L67 VanDerWaalsContact CG2-CB 3.47Å; V30-L67 HydrophobicContact CG2-CD1 4.22Å; Y33-L67 HydrophobicContact CD2-CD1 3.84Å; Y33-L67 HydrophobicContact CE2-CD1 3.76Å; R63-L67 HydrophobicContact CG-CD1 4.1Å; R63-L67 HydrophobicContact CG-CG 4.36Å; R63-L67 WeakPolarHBondContact O-CB 3.35Å; R63-L67 VanDerWaalsContact O-CG 3.27Å; R63-L67 WeakPolarHBondContact O-CG 3.45Å; R63-L67 PolarHBondContact O-N 3.47Å; V64-L67 PolarHBondContact O-N 3.12Å; Q65-L67 VanDerWaalsContact C-N 3.34Å; Q65-L67 PolarHBondContact O-N 3.18Å; L67-N69 VanDerWaalsContact C-N 3.3Å; L67-N69 PolarHBondContact O-N 3.09Å; L67-A70 CarbonylContact O-C 3.59Å; L67-A70 WeakPolarHBondContact O-CB 3.21Å; L67-A70 PolarHBondContact O-N 3.19Å; L67-A70 VanDerWaalsContact O-N 3.14Å; L67-V71 WeakPolarHBondContact O-CB 2.97Å; L67-V71 VanDerWaalsContact O-CG2 3.26Å; L67-V71 WeakPolarHBondContact O-CG2 3.09Å; L67-V71 PolarHBondContact O-N 3.14Å |
| 68 | H | 70 | Confident | 68.7 | Low | 81 Ų | 81 | 82.8 Ų | 82.8 | 38% | 0.375 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 173.7 | -107.4 | 162.4 | 0 | 0 | 0 | 111.9 | V64 Q65 A70 V71 Q72 | V64-H68 WeakPolarHBondContact O-CB 3.45Å; V64-H68 PolarHBondContact O-N 2.92Å; Q65-H68 PolarHBondContact O-N 2.72Å; H68-A70 VanDerWaalsContact C-N 3.3Å; H68-A70 PolarHBondContact O-N 2.84Å; H68-V71 PolarHBondContact O-N 3.48Å; H68-Q72 WeakPolarHBondContact O-CG 3.38Å; H68-Q72 PolarHBondContact O-N 2.97Å |
| 69 | N | 66.9 | Low | 68.9 | Low | 100 Ų | 100 | 84.5 Ų | 84.5 | 54% | 0.535 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.9 | -35.5 | 176.1 | -65.9 | -19.4 | 0 | 0 | 0 | 111.4 | Q65 A66 L67 | Q65-N69 PolarHBondContact O-N 3.18Å; Q65-N69 VanDerWaalsContact O-N 3.16Å; Q65-N69 PolarHBondContact O-ND2 2.9Å; A66-N69 PolarHBondContact O-N 3.29Å; L67-N69 VanDerWaalsContact C-N 3.3Å; L67-N69 PolarHBondContact O-N 3.09Å |
| 70 | A | 65.9 | Low | 68.7 | Low | 31 Ų | 31 | 82.1 Ų | 82.1 | 26% | 0.256 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.5 | -39.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | A66 L67 H68 S73 Q74 | A66-A70 PolarHBondContact O-N 2.84Å; A66-A70 VanDerWaalsContact O-N 3.16Å; L67-A70 CarbonylContact O-C 3.59Å; L67-A70 WeakPolarHBondContact O-CB 3.21Å; L67-A70 PolarHBondContact O-N 3.19Å; L67-A70 VanDerWaalsContact O-N 3.14Å; H68-A70 VanDerWaalsContact C-N 3.3Å; H68-A70 PolarHBondContact O-N 2.84Å; A70-S73 PolarHBondContact O-N 3.3Å; A70-S73 VanDerWaalsContact O-N 3.16Å; A70-S73 PolarHBondContact O-OG 3.45Å; A70-Q74 PolarHBondContact O-N 3.19Å |
| 71 | V | 62.7 | Low | 68.6 | Low | 28 Ų | 28 | 82.9 Ų | 82.9 | 17% | 0.17 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.1 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | Y26 N27 L67 H68 S73 Q74 | Y26-V71 VanDerWaalsContact CB-CG2 3.41Å; Y26-V71 HydrophobicContact CG-CG2 4.49Å; N27-V71 WeakPolarHBondContact OD1-CG1 3.29Å; L67-V71 WeakPolarHBondContact O-CB 2.97Å; L67-V71 VanDerWaalsContact O-CG2 3.26Å; L67-V71 WeakPolarHBondContact O-CG2 3.09Å; L67-V71 PolarHBondContact O-N 3.14Å; H68-V71 PolarHBondContact O-N 3.48Å; V71-S73 PolarHBondContact O-N 2.86Å; V71-S73 VanDerWaalsContact O-N 3.12Å; V71-Q74 PolarHBondContact O-N 3.42Å; V71-Q74 VanDerWaalsContact O-N 3.09Å |
| 72 | Q | 53.9 | Low | 68.9 | Low | 162 Ų | 162 | 89.3 Ų | 89.3 | 76% | 0.757 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.2 | -18.6 | 175.5 | -77 | -174.4 | -9.7 | 0 | 0 | 113.1 | H68 | H68-Q72 WeakPolarHBondContact O-CG 3.38Å; H68-Q72 PolarHBondContact O-N 2.97Å |
| 73 | S | 48.9 | Very low | 69.1 | Low | 98 Ų | 98 | 87.2 Ų | 87.2 | 69% | 0.685 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -93.2 | -11.9 | 176.5 | 74.9 | 0 | 0 | 0 | 0 | 114.7 | A70 V71 | A70-S73 PolarHBondContact O-N 3.3Å; A70-S73 VanDerWaalsContact O-N 3.16Å; A70-S73 PolarHBondContact O-OG 3.45Å; V71-S73 PolarHBondContact O-N 2.86Å; V71-S73 VanDerWaalsContact O-N 3.12Å |
| 74 | Q | 50 | Low | 69 | Low | 104 Ų | 104 | 85.8 Ų | 85.8 | 49% | 0.486 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -96.3 | 129.7 | 174.5 | -82 | -175.2 | -24.8 | 0 | 0 | 110.9 | A70 V71 | A70-Q74 PolarHBondContact O-N 3.19Å; V71-Q74 PolarHBondContact O-N 3.42Å; V71-Q74 VanDerWaalsContact O-N 3.09Å |
| 75 | K | 47.1 | Very low | 69.2 | Low | 201 Ų | 201 | 86 Ų | 86 | 87% | 0.874 | 45% | 0.454 | S | S | * | . | trans | -61.9 | 136.5 | 162 | -75.6 | 180 | 176.9 | 178.5 | 0 | 107.9 | D77 | K75-D77 PolarHBondContact O-N 2.98Š| ||
| 76 | S | 54.5 | Low | 69.5 | Low | 109 Ų | 109 | 81 Ų | 81 | 76% | 0.762 | 43% | 0.432 | S | S | * | . | trans | -46 | 134.3 | 175.7 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 77 | D | 57.9 | Low | 69.8 | Low | 121 Ų | 121 | 79.5 Ų | 79.5 | 65% | 0.647 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 135.5 | 173.1 | -78.4 | -30.4 | 0 | 0 | 0 | 109.7 | K75 L79 N277 | K75-D77 PolarHBondContact O-N 2.98Å; D77-L79 PolarHBondContact O-N 2.89Å; D77-N277 VanDerWaalsContact CB-ND2 3.33Å; D77-N277 WeakPolarHBondContact CB-ND2 3.32Å; D77-N277 PolarHBondContact O-ND2 3.48Å |
| 78 | P | 64.3 | Low | 70.1 | Confident | 111 Ų | 111 | 82.1 Ų | 82.1 | 72% | 0.721 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 138.8 | -179.2 | 23.9 | -32.1 | 0 | 0 | 0 | 110.1 | N277 | P78-N277 PolarHBondContact O-ND2 2.92Å; P78-N277 PolarHBondContact O-OD1 2.72Å |
| 79 | L | 77.1 | Confident | 70.9 | Confident | 94 Ų | 94 | 79 Ų | 79 | 49% | 0.492 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -57 | 142.2 | 178.7 | -73.8 | 169.6 | 0 | 0 | 0 | 111.1 | D77 S81 E274 N277 | D77-L79 PolarHBondContact O-N 2.89Å; L79-S81 PolarHBondContact O-N 2.89Å; L79-E274 VanDerWaalsContact CD1-O 3.23Å; L79-E274 WeakPolarHBondContact CD1-O 3.47Å; L79-N277 WeakPolarHBondContact CA-OD1 3.3Å |
| 80 | K | 80.1 | Confident | 71.9 | Confident | 47 Ų | 47 | 74.2 Ų | 74.2 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 135.3 | 174.4 | -75.6 | 177.2 | -177.3 | 161.7 | 0 | 109.9 | Q84 V85 E88 N277 N278 | K80-Q84 HydrophobicContact CB-CB 4.26Å; K80-V85 HydrophobicContact CB-CG2 4.03Å; K80-E88 VanDerWaalsContact CE-OE1 3.31Å; K80-E88 WeakPolarHBondContact CE-OE1 3.43Å; K80-E88 IonicContact NZ-OE1 3.47Å; K80-E88 PolarHBondContact NZ-OE1 2.96Å; K80-E88 IonicContact NZ-OE2 3.17Å; K80-N277 WeakPolarHBondContact CD-O 3.11Å; K80-N277 WeakPolarHBondContact CE-O 3.43Å; K80-N277 PolarHBondContact N-OD1 2.95Å; K80-N277 PolarHBondContact NZ-O 3.12Å; K80-N278 PolarHBondContact NZ-OD1 2.91Å; K80-N278 VanDerWaalsContact NZ-OD1 3.1Å |
| 81 | S | 81.8 | Confident | 72.9 | Confident | 50 Ų | 50 | 76.6 Ų | 76.6 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 154.7 | 173.6 | 70.5 | 0 | 0 | 0 | 0 | 110.3 | L79 H83 Q84 V85 | L79-S81 PolarHBondContact O-N 2.89Å; S81-H83 PolarHBondContact O-N 3.38Å; S81-H83 VanDerWaalsContact O-N 3.12Å; S81-Q84 WeakPolarHBondContact O-CA 3.45Å; S81-Q84 WeakPolarHBondContact O-CB 3.28Å; S81-Q84 PolarHBondContact O-N 3.14Å; S81-Q84 WeakPolarHBondContact OG-CG 3.18Å; S81-Q84 PolarHBondContact OG-N 2.79Å; S81-V85 PolarHBondContact O-N 3.33Å; S81-V85 VanDerWaalsContact O-N 3.13Å |
| 82 | R | 83.1 | Confident | 74 | Confident | 167 Ų | 167 | 76.1 Ų | 76.1 | 63% | 0.63 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -48.9 | -41.8 | 174.8 | 179.5 | 178.9 | 169.8 | -179.3 | -4.8 | 112.8 | Q84 V85 D86 | R82-Q84 VanDerWaalsContact C-N 3.31Å; R82-Q84 PolarHBondContact O-N 2.73Å; R82-V85 PolarHBondContact O-N 3.03Å; R82-D86 PolarHBondContact O-N 3.31Å |
| 83 | H | 84.7 | Confident | 75.6 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 23% | 0.227 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.6 | -30.6 | 179.6 | -51.4 | 128.1 | 0 | 0 | 0 | 113.1 | S81 L87 T123 L132 | S81-H83 PolarHBondContact O-N 3.38Å; S81-H83 VanDerWaalsContact O-N 3.12Å; H83-L87 PolarHBondContact O-N 2.87Å; H83-L87 VanDerWaalsContact O-N 3.1Å; H83-T123 HydrophobicContact CB-CG2 3.8Å; H83-L132 HydrophobicContact CB-CD2 3.4Å; H83-L132 VanDerWaalsContact CB-CD2 3.4Å |
| 84 | Q | 83.3 | Confident | 77.4 | Confident | 79 Ų | 79 | 65 Ų | 65 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -72.8 | -39.4 | 174.8 | -73.1 | 168.2 | -20.1 | 0 | 0 | 111.4 | K80 S81 R82 D86 L87 E88 L132 | K80-Q84 HydrophobicContact CB-CB 4.26Å; S81-Q84 WeakPolarHBondContact O-CA 3.45Å; S81-Q84 WeakPolarHBondContact O-CB 3.28Å; S81-Q84 PolarHBondContact O-N 3.14Å; S81-Q84 WeakPolarHBondContact OG-CG 3.18Å; S81-Q84 PolarHBondContact OG-N 2.79Å; R82-Q84 VanDerWaalsContact C-N 3.31Å; R82-Q84 PolarHBondContact O-N 2.73Å; Q84-D86 VanDerWaalsContact C-N 3.34Å; Q84-L87 WeakPolarHBondContact O-CB 3.34Å; Q84-L87 PolarHBondContact O-N 2.84Å; Q84-E88 PolarHBondContact O-N 2.62Å; Q84-E88 VanDerWaalsContact O-N 3.12Å; Q84-L132 HydrophobicContact CG-CD1 4.26Å; Q84-L132 HydrophobicContact CG-CD2 4.46Å |
| 85 | V | 83.5 | Confident | 79.2 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 173.7 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | K80 S81 R82 L87 E88 R89 D273 | K80-V85 HydrophobicContact CB-CG2 4.03Å; S81-V85 PolarHBondContact O-N 3.33Å; S81-V85 VanDerWaalsContact O-N 3.13Å; R82-V85 PolarHBondContact O-N 3.03Å; V85-L87 VanDerWaalsContact C-N 3.31Å; V85-L87 PolarHBondContact O-N 3.04Å; V85-E88 PolarHBondContact O-N 2.78Å; V85-R89 PolarHBondContact O-N 2.95Å; V85-D273 HydrophobicContact CG1-CB 4.46Å; V85-D273 HydrophobicContact CG2-CB 4.27Å |
| 86 | D | 84.6 | Confident | 81 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.8 | -33.9 | 175.5 | -72.1 | -19.9 | 0 | 0 | 0 | 112.2 | R82 Q84 R89 A90 L119 T123 | R82-D86 PolarHBondContact O-N 3.31Å; Q84-D86 VanDerWaalsContact C-N 3.34Å; D86-R89 PolarHBondContact O-N 3.02Å; D86-R89 IonicContact OD1-CZ 2.76Å; D86-R89 IonicContact OD1-NH1 2.68Å; D86-R89 PolarHBondContact OD1-NH1 3Å; D86-R89 IonicContact OD1-NH2 3.31Å; D86-R89 PolarHBondContact OD1-NH2 3.18Å; D86-A90 WeakPolarHBondContact O-CB 3.43Å; D86-A90 PolarHBondContact O-N 3.38Å; D86-L119 HydrophobicContact CB-CD1 4.42Å; D86-T123 HydrophobicContact CB-CG2 3.77Å; D86-T123 WeakPolarHBondContact CB-OG1 3.3Å |
| 87 | L | 86.6 | Confident | 82.5 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 171 | 175.3 | 64 | 0 | 0 | 0 | 111.6 | H83 Q84 V85 R89 A90 H91 L132 K135 L136 L139 | H83-L87 PolarHBondContact O-N 2.87Å; H83-L87 VanDerWaalsContact O-N 3.1Å; Q84-L87 WeakPolarHBondContact O-CB 3.34Å; Q84-L87 PolarHBondContact O-N 2.84Å; V85-L87 VanDerWaalsContact C-N 3.31Å; V85-L87 PolarHBondContact O-N 3.04Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 2.87Å; L87-A90 PolarHBondContact O-N 2.64Å; L87-H91 PolarHBondContact O-CD2 2.83Å; L87-H91 PolarHBondContact O-N 2.77Å; L87-L132 HydrophobicContact CB-CD1 4.22Å; L87-L132 HydrophobicContact CD2-CD1 3.51Å; L87-L132 HydrophobicContact CG-CD1 4.44Å; L87-K135 HydrophobicContact CD2-CB 4.36Å; L87-K135 HydrophobicContact CD2-CD 4.37Å; L87-L136 HydrophobicContact CB-CD2 3.99Å; L87-L136 HydrophobicContact CD1-CD2 3.5Å; L87-L136 VanDerWaalsContact CD1-CD2 3.5Å; L87-L136 HydrophobicContact CD1-CG 3.98Å; L87-L136 HydrophobicContact CG-CD2 4.32Å; L87-L139 HydrophobicContact CD1-CD2 4.2Å |
| 88 | E | 86.1 | Confident | 83.9 | Confident | 61 Ų | 61 | 47.7 Ų | 47.7 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.7 | -38.6 | 175.9 | -70.4 | -179.4 | 172.8 | 0 | 0 | 111.8 | K80 Q84 V85 H91 F92 | K80-E88 VanDerWaalsContact CE-OE1 3.31Å; K80-E88 WeakPolarHBondContact CE-OE1 3.43Å; K80-E88 IonicContact NZ-OE1 3.47Å; K80-E88 PolarHBondContact NZ-OE1 2.96Å; K80-E88 IonicContact NZ-OE2 3.17Å; Q84-E88 PolarHBondContact O-N 2.62Å; Q84-E88 VanDerWaalsContact O-N 3.12Å; V85-E88 PolarHBondContact O-N 2.78Å; E88-H91 PolarHBondContact O-N 2.85Å; E88-F92 PolarHBondContact O-N 3.16Å |
| 89 | R | 86.8 | Confident | 84.9 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 6% | 0.057 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 174.3 | -160 | -176.6 | -52.3 | 117 | 16.3 | 112 | V85 D86 L87 H91 F92 L93 L119 F245 P246 P336 C337 | V85-R89 PolarHBondContact O-N 2.95Å; D86-R89 PolarHBondContact O-N 3.02Å; D86-R89 IonicContact OD1-CZ 2.76Å; D86-R89 IonicContact OD1-NH1 2.68Å; D86-R89 PolarHBondContact OD1-NH1 3Å; D86-R89 IonicContact OD1-NH2 3.31Å; D86-R89 PolarHBondContact OD1-NH2 3.18Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 2.87Å; R89-H91 VanDerWaalsContact C-N 3.34Å; R89-F92 PolarHBondContact O-N 3.3Å; R89-L93 PolarHBondContact O-N 2.97Å; R89-L119 HydrophobicContact CB-CD2 4.06Å; R89-L119 HydrophobicContact CG-CD2 4.27Å; R89-F245 WeakPolarHBondContact CD-O 3.3Å; R89-P246 WeakPolarHBondContact CD-O 3.43Å; R89-P246 PolarHBondContact NH1-O 2.88Å; R89-P336 HydrophobicContact CB-CB 4.49Å; R89-P336 HydrophobicContact CB-CG 4.48Å; R89-C337 VanDerWaalsContact CG-SG 3.53Å |
| 90 | A | 86.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D86 L87 F92 L93 V94 L119 C120 L139 | D86-A90 WeakPolarHBondContact O-CB 3.43Å; D86-A90 PolarHBondContact O-N 3.38Å; L87-A90 PolarHBondContact O-N 2.64Å; A90-F92 VanDerWaalsContact C-N 3.34Å; A90-F92 PolarHBondContact O-N 2.96Å; A90-L93 PolarHBondContact O-N 3.23Å; A90-V94 WeakPolarHBondContact O-CG2 3.46Å; A90-V94 PolarHBondContact O-N 3.49Å; A90-L119 HydrophobicContact CB-CD2 4.09Å; A90-L119 HydrophobicContact CB-CG 4.48Å; A90-C120 WeakPolarHBondContact CB-SG 3.49Å; A90-L139 HydrophobicContact CB-CD2 3.87Å |
| 91 | H | 86.8 | Confident | 85.6 | Confident | 81 Ų | 81 | 38.7 Ų | 38.7 | 38% | 0.375 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 173.5 | -82.3 | -62.9 | 0 | 0 | 0 | 112.8 | L87 E88 R89 V94 T95 | L87-H91 PolarHBondContact O-CD2 2.83Å; L87-H91 PolarHBondContact O-N 2.77Å; E88-H91 PolarHBondContact O-N 2.85Å; R89-H91 VanDerWaalsContact C-N 3.34Å; H91-V94 PolarHBondContact O-N 2.96Å; H91-T95 PolarHBondContact O-N 2.77Å; H91-T95 PolarHBondContact O-OG1 3.23Å |
| 92 | F | 86.9 | Confident | 85.8 | Confident | 18 Ų | 18 | 41.8 Ų | 41.8 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 176 | -172.8 | -98.2 | 0 | 0 | 0 | 111.7 | E88 R89 A90 V94 T95 Q96 F243 A244 P325 E333 N335 P336 | E88-F92 PolarHBondContact O-N 3.16Å; R89-F92 PolarHBondContact O-N 3.3Å; A90-F92 VanDerWaalsContact C-N 3.34Å; A90-F92 PolarHBondContact O-N 2.96Å; F92-V94 PolarHBondContact O-N 3.26Å; F92-T95 PolarHBondContact O-N 2.92Å; F92-Q96 HydrophobicContact CD1-CG 4.26Å; F92-Q96 HydrophobicContact CE1-CG 3.86Å; F92-Q96 HydrophobicContact CZ-CG 3.99Å; F92-Q96 WeakPolarHBondContact O-CG 3.36Å; F92-Q96 PolarHBondContact O-N 3.46Å; F92-F243 HydrophobicContact CE1-CB 4.4Å; F92-F243 HydrophobicContact CZ-CB 4.46Å; F92-A244 HydrophobicContact CD1-CB 3.79Å; F92-A244 HydrophobicContact CE1-CB 3.75Å; F92-P325 HydrophobicContact CZ-CG 4.25Å; F92-E333 VanDerWaalsContact CE2-OE1 3.29Å; F92-E333 WeakPolarHBondContact CE2-OE1 3.48Å; F92-N335 VanDerWaalsContact CE1-OD1 3.28Å; F92-N335 WeakPolarHBondContact CE1-OD1 3.24Å; F92-N335 HydrophobicContact CZ-CB 4.29Å; F92-P336 HydrophobicContact CB-CG 3.67Å; F92-P336 HydrophobicContact CD2-CG 4.45Å; F92-P336 HydrophobicContact CG-CG 4.02Å |
| 93 | L | 86.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 174.5 | -77.7 | 159 | 0 | 0 | 0 | 112.2 | R89 A90 Q96 A97 L112 A116 L119 A244 | R89-L93 PolarHBondContact O-N 2.97Å; A90-L93 PolarHBondContact O-N 3.23Å; L93-Q96 PolarHBondContact O-N 2.73Å; L93-A97 WeakPolarHBondContact O-CB 3.23Å; L93-A97 PolarHBondContact O-N 3.22Å; L93-L112 HydrophobicContact CD2-CD2 3.91Å; L93-A116 HydrophobicContact CB-CB 3.79Å; L93-L119 HydrophobicContact CD1-CD2 4.01Å; L93-A244 HydrophobicContact CD2-CB 3.61Å; L93-A244 HydrophobicContact CG-CB 4.22Å |
| 94 | V | 87.7 | Confident | 85.8 | Confident | 27 Ų | 27 | 39.7 Ų | 39.7 | 16% | 0.164 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 178.3 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | A90 H91 F92 A97 F98 Y113 A116 L139 A143 | A90-V94 WeakPolarHBondContact O-CG2 3.46Å; A90-V94 PolarHBondContact O-N 3.49Å; H91-V94 PolarHBondContact O-N 2.96Å; F92-V94 PolarHBondContact O-N 3.26Å; V94-A97 PolarHBondContact O-N 2.82Å; V94-F98 PolarHBondContact O-N 3.24Å; V94-Y113 HydrophobicContact CG1-CE1 4.16Å; V94-A116 HydrophobicContact CG2-CB 3.62Å; V94-L139 HydrophobicContact CB-CD1 4.3Å; V94-L139 HydrophobicContact CG1-CD1 4.19Å; V94-L139 HydrophobicContact CG2-CD1 3.92Å; V94-L139 HydrophobicContact CG2-CD2 4.43Å; V94-L139 HydrophobicContact CG2-CG 4.09Å; V94-A143 HydrophobicContact CG2-CB 4.03Å |
| 95 | T | 86.7 | Confident | 85.9 | Confident | 70 Ų | 70 | 38.9 Ų | 38.9 | 43% | 0.429 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 176.6 | -57 | 0 | 0 | 0 | 0 | 110.9 | H91 F92 F98 E99 | H91-T95 PolarHBondContact O-N 2.77Å; H91-T95 PolarHBondContact O-OG1 3.23Å; F92-T95 PolarHBondContact O-N 2.92Å; T95-F98 WeakPolarHBondContact O-CB 3.33Å; T95-F98 PolarHBondContact O-N 3.47Å; T95-E99 WeakPolarHBondContact O-CG 3.2Å; T95-E99 PolarHBondContact O-N 2.67Å |
| 96 | Q | 85 | Confident | 86.1 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.4 | -39.8 | 178.2 | -72.6 | -68.1 | -51.2 | 0 | 0 | 112.1 | F92 L93 F98 E99 E100 L112 A244 | F92-Q96 HydrophobicContact CD1-CG 4.26Å; F92-Q96 HydrophobicContact CE1-CG 3.86Å; F92-Q96 HydrophobicContact CZ-CG 3.99Å; F92-Q96 WeakPolarHBondContact O-CG 3.36Å; F92-Q96 PolarHBondContact O-N 3.46Å; L93-Q96 PolarHBondContact O-N 2.73Å; Q96-F98 VanDerWaalsContact C-N 3.29Å; Q96-F98 PolarHBondContact O-N 3.25Å; Q96-E99 PolarHBondContact NE2-OE2 2.97Å; Q96-E99 VanDerWaalsContact NE2-OE2 3.14Å; Q96-E99 PolarHBondContact O-N 3.22Å; Q96-E100 PolarHBondContact O-N 3.44Å; Q96-L112 HydrophobicContact CB-CD1 4.27Å; Q96-A244 HydrophobicContact CB-CB 4.06Å; Q96-A244 HydrophobicContact CG-CB 4.05Å |
| 97 | A | 87 | Confident | 86.3 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.1 | -42.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L93 V94 E100 D101 A109 L112 Y113 | L93-A97 WeakPolarHBondContact O-CB 3.23Å; L93-A97 PolarHBondContact O-N 3.22Å; V94-A97 PolarHBondContact O-N 2.82Å; A97-E100 PolarHBondContact O-N 2.93Å; A97-D101 WeakPolarHBondContact O-CB 3.37Å; A97-D101 PolarHBondContact O-N 2.73Å; A97-A109 WeakPolarHBondContact O-CB 3.36Å; A97-L112 HydrophobicContact CB-CB 3.57Å; A97-L112 HydrophobicContact CB-CD1 4.48Å; A97-Y113 HydrophobicContact CB-CD1 3.55Å; A97-Y113 HydrophobicContact CB-CD2 3.75Å; A97-Y113 HydrophobicContact CB-CE1 3.55Å; A97-Y113 HydrophobicContact CB-CE2 3.75Å; A97-Y113 HydrophobicContact CB-CG 3.64Å |
| 98 | F | 87 | Confident | 86.2 | Confident | 80 Ų | 80 | 48.2 Ų | 48.2 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.9 | -37.5 | 177 | -178.1 | -102.3 | 0 | 0 | 0 | 112.8 | V94 T95 Q96 D101 E102 Y113 R328 | V94-F98 PolarHBondContact O-N 3.24Å; T95-F98 WeakPolarHBondContact O-CB 3.33Å; T95-F98 PolarHBondContact O-N 3.47Å; Q96-F98 VanDerWaalsContact C-N 3.29Å; Q96-F98 PolarHBondContact O-N 3.25Å; F98-D101 WeakPolarHBondContact O-CB 3.48Å; F98-D101 PolarHBondContact O-N 3.24Å; F98-E102 HydrophobicContact CD1-CG 4.48Å; F98-E102 VanDerWaalsContact CE1-CD 3.41Å; F98-E102 HydrophobicContact CE1-CG 3.96Å; F98-E102 VanDerWaalsContact CE1-OE2 3.3Å; F98-E102 WeakPolarHBondContact CE1-OE2 3.44Å; F98-E102 HydrophobicContact CE2-CG 4.39Å; F98-E102 HydrophobicContact CZ-CG 3.9Å; F98-E102 PolarHBondContact O-N 2.87Å; F98-Y113 VanDerWaalsContact CA-OH 3.28Å; F98-Y113 WeakPolarHBondContact CA-OH 3.14Å; F98-Y113 WeakPolarHBondContact CB-OH 3.37Å; F98-Y113 PolarHBondContact N-OH 3Å; F98-R328 VanDerWaalsContact CD1-NH2 3.34Å; F98-R328 VanDerWaalsContact CE1-NH2 3.33Å |
| 99 | E | 85.2 | Confident | 86.3 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67 | -36.2 | 175.7 | -70.5 | -173.9 | 162.6 | 0 | 0 | 112.7 | T95 Q96 K103 R328 | T95-E99 WeakPolarHBondContact O-CG 3.2Å; T95-E99 PolarHBondContact O-N 2.67Å; Q96-E99 PolarHBondContact NE2-OE2 2.97Å; Q96-E99 VanDerWaalsContact NE2-OE2 3.14Å; Q96-E99 PolarHBondContact O-N 3.22Å; E99-K103 WeakPolarHBondContact O-CD 3.41Å; E99-K103 WeakPolarHBondContact O-CE 3.41Å; E99-K103 WeakPolarHBondContact O-CG 3.47Å; E99-K103 PolarHBondContact O-N 3.27Å; E99-R328 IonicContact OE1-NE 3.63Å |
| 100 | E | 84.8 | Confident | 86.4 | Confident | 27 Ų | 27 | 45.3 Ų | 45.3 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.7 | -36.3 | 174.5 | -67.3 | -53 | 126.9 | 0 | 0 | 112.4 | Q96 A97 K103 G104 N105 E108 A109 L112 | Q96-E100 PolarHBondContact O-N 3.44Å; A97-E100 PolarHBondContact O-N 2.93Å; E100-K103 PolarHBondContact O-N 3.2Å; E100-K103 IonicContact OE1-NZ 3.93Å; E100-K103 PolarHBondContact OE1-NZ 2.91Å; E100-G104 PolarHBondContact O-N 3Å; E100-N105 HydrophobicContact CB-CB 4.31Å; E100-N105 PolarHBondContact O-N 3.48Å; E100-N105 PolarHBondContact OE2-ND2 3.37Å; E100-E108 HydrophobicContact CG-CG 4.25Å; E100-A109 HydrophobicContact CB-CB 4.13Å; E100-L112 HydrophobicContact CG-CD1 4.26Å |
| 101 | D | 86.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 49.1 Ų | 49.1 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 171.3 | 177.6 | -0.3 | 0 | 0 | 0 | 111.2 | A97 F98 K103 G104 A109 R146 L150 | A97-D101 WeakPolarHBondContact O-CB 3.37Å; A97-D101 PolarHBondContact O-N 2.73Å; F98-D101 WeakPolarHBondContact O-CB 3.48Å; F98-D101 PolarHBondContact O-N 3.24Å; D101-K103 PolarHBondContact O-N 2.97Å; D101-G104 PolarHBondContact O-N 3.4Å; D101-A109 HydrophobicContact CB-CB 3.94Å; D101-R146 IonicContact OD1-CZ 3.43Å; D101-R146 IonicContact OD1-NH2 3.26Å; D101-R146 PolarHBondContact OD1-NH2 3.38Å; D101-R146 IonicContact OD2-CZ 2.69Å; D101-R146 IonicContact OD2-NE 3.45Å; D101-R146 PolarHBondContact OD2-NE 3.06Å; D101-R146 IonicContact OD2-NH2 2.78Å; D101-R146 PolarHBondContact OD2-NH2 3.09Å; D101-L150 HydrophobicContact CB-CD1 4.33Å |
| 102 | E | 86.4 | Confident | 86.7 | Confident | 114 Ų | 114 | 45.5 Ų | 45.5 | 53% | 0.533 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.4 | -26.9 | 175.9 | -78.2 | -170.1 | 126.8 | 0 | 0 | 113.6 | F98 R328 | F98-E102 HydrophobicContact CD1-CG 4.48Å; F98-E102 VanDerWaalsContact CE1-CD 3.41Å; F98-E102 HydrophobicContact CE1-CG 3.96Å; F98-E102 VanDerWaalsContact CE1-OE2 3.3Å; F98-E102 WeakPolarHBondContact CE1-OE2 3.44Å; F98-E102 HydrophobicContact CE2-CG 4.39Å; F98-E102 HydrophobicContact CZ-CG 3.9Å; F98-E102 PolarHBondContact O-N 2.87Å; E102-R328 IonicContact OE1-NH1 3.86Å; E102-R328 IonicContact OE2-CZ 2.67Å; E102-R328 IonicContact OE2-NH1 2.64Å; E102-R328 PolarHBondContact OE2-NH1 2.91Å; E102-R328 IonicContact OE2-NH2 3.52Å; E102-R328 PolarHBondContact OE2-NH2 3.15Å |
| 103 | K | 83.8 | Confident | 86.9 | Confident | 122 Ų | 122 | 45 Ų | 45 | 53% | 0.53 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -8.2 | 174.2 | -69.5 | 167.4 | -159.8 | 166.4 | 0 | 112.8 | E99 E100 D101 | E99-K103 WeakPolarHBondContact O-CD 3.41Å; E99-K103 WeakPolarHBondContact O-CE 3.41Å; E99-K103 WeakPolarHBondContact O-CG 3.47Å; E99-K103 PolarHBondContact O-N 3.27Å; E100-K103 PolarHBondContact O-N 3.2Å; E100-K103 IonicContact OE1-NZ 3.93Å; E100-K103 PolarHBondContact OE1-NZ 2.91Å; D101-K103 PolarHBondContact O-N 2.97Å |
| 104 | G | 83.8 | Confident | 87.1 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 52% | 0.515 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 19.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | E100 D101 D106 | E100-G104 PolarHBondContact O-N 3Å; D101-G104 PolarHBondContact O-N 3.4Å; G104-D106 VanDerWaalsContact C-N 3.27Å; G104-D106 PolarHBondContact O-N 3.45Å |
| 105 | N | 85.9 | Confident | 87.2 | Confident | 62 Ų | 62 | 47.6 Ų | 47.6 | 33% | 0.332 | 25% | 0.249 | S | C | . | . | trans | -90.7 | 62.5 | 175.4 | -65.4 | -29 | 0 | 0 | 0 | 109.9 | E100 D107 E108 A109 | E100-N105 HydrophobicContact CB-CB 4.31Å; E100-N105 PolarHBondContact O-N 3.48Å; E100-N105 PolarHBondContact OE2-ND2 3.37Å; N105-D107 VanDerWaalsContact C-N 3.28Å; N105-D107 PolarHBondContact O-N 3.13Å; N105-E108 PolarHBondContact O-N 3.43Å; N105-A109 PolarHBondContact O-N 2.93Å; N105-A109 VanDerWaalsContact O-N 3.09Å | ||
| 106 | D | 87.8 | Confident | 87.3 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.8 | -39.1 | -169.6 | -65.2 | -8.1 | 0 | 0 | 0 | 113.5 | G104 A109 I110 Q154 | G104-D106 VanDerWaalsContact C-N 3.27Å; G104-D106 PolarHBondContact O-N 3.45Å; D106-A109 PolarHBondContact O-N 2.96Å; D106-I110 WeakPolarHBondContact O-CB 3.17Å; D106-I110 WeakPolarHBondContact O-CD1 3.34Å; D106-I110 WeakPolarHBondContact O-CG1 3.4Å; D106-I110 PolarHBondContact O-N 3.26Å; D106-Q154 HydrophobicContact CB-CG 4.17Å |
| 107 | D | 86.9 | Confident | 87.5 | Confident | 121 Ų | 121 | 44 Ų | 44 | 65% | 0.647 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.8 | -47.6 | -178.5 | -67.8 | -29.9 | 0 | 0 | 0 | 112.5 | N105 I110 E111 Q154 | N105-D107 VanDerWaalsContact C-N 3.28Å; N105-D107 PolarHBondContact O-N 3.13Å; D107-I110 PolarHBondContact O-N 3.28Å; D107-E111 PolarHBondContact O-N 3.39Å; D107-E111 VanDerWaalsContact O-N 3.12Å; D107-Q154 PolarHBondContact OD1-NE2 2.82Å |
| 108 | E | 86.3 | Confident | 87.7 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.2 | -39.1 | 178.5 | -173.4 | 69.7 | -152.9 | 0 | 0 | 110.6 | E100 N105 I110 E111 L112 R242 | E100-E108 HydrophobicContact CG-CG 4.25Å; N105-E108 PolarHBondContact O-N 3.43Å; E108-I110 PolarHBondContact O-N 2.98Å; E108-E111 PolarHBondContact O-N 3.08Å; E108-L112 HydrophobicContact CG-CD1 4.14Å; E108-L112 WeakPolarHBondContact O-CG 3.46Å; E108-L112 PolarHBondContact O-N 2.89Å; E108-R242 WeakPolarHBondContact OE1-CD 3.42Å; E108-R242 IonicContact OE1-CZ 2.89Å; E108-R242 IonicContact OE1-NE 3.63Å; E108-R242 PolarHBondContact OE1-NE 2.81Å; E108-R242 IonicContact OE1-NH1 3.68Å; E108-R242 PolarHBondContact OE1-NH1 3.43Å; E108-R242 IonicContact OE2-NH1 3.53Å |
| 109 | A | 88 | Confident | 87.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A97 E100 D101 N105 D106 E111 L112 Y113 L150 | A97-A109 WeakPolarHBondContact O-CB 3.36Å; E100-A109 HydrophobicContact CB-CB 4.13Å; D101-A109 HydrophobicContact CB-CB 3.94Å; N105-A109 PolarHBondContact O-N 2.93Å; N105-A109 VanDerWaalsContact O-N 3.09Å; D106-A109 PolarHBondContact O-N 2.96Å; A109-E111 VanDerWaalsContact C-N 3.34Å; A109-E111 PolarHBondContact O-N 3.04Å; A109-L112 PolarHBondContact O-N 3.21Å; A109-Y113 HydrophobicContact CB-CE2 4.47Å; A109-Y113 WeakPolarHBondContact O-CB 3.47Å; A109-Y113 WeakPolarHBondContact O-CD2 3.3Å; A109-Y113 PolarHBondContact O-N 3.44Å; A109-L150 HydrophobicContact CB-CD1 4.04Å |
| 110 | I | 89.1 | Confident | 87.9 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -43.9 | 176.3 | -73 | 162.1 | 0 | 0 | 0 | 111 | D106 D107 E108 T114 L150 K151 | D106-I110 WeakPolarHBondContact O-CB 3.17Å; D106-I110 WeakPolarHBondContact O-CD1 3.34Å; D106-I110 WeakPolarHBondContact O-CG1 3.4Å; D106-I110 PolarHBondContact O-N 3.26Å; D107-I110 PolarHBondContact O-N 3.28Å; E108-I110 PolarHBondContact O-N 2.98Å; I110-T114 WeakPolarHBondContact O-CB 2.97Å; I110-T114 PolarHBondContact O-N 3.26Å; I110-T114 PolarHBondContact O-OG1 3.43Å; I110-L150 HydrophobicContact CD1-CB 3.91Å; I110-L150 HydrophobicContact CG1-CB 3.76Å; I110-L150 HydrophobicContact CG1-CD1 4.19Å; I110-K151 HydrophobicContact CD1-CG 3.73Å; I110-K151 HydrophobicContact CG1-CG 4.28Å; I110-K151 HydrophobicContact CG2-CD 4.4Å; I110-K151 HydrophobicContact CG2-CG 4.25Å |
| 111 | E | 90.6 | Very high | 88.1 | Confident | 81 Ų | 81 | 48.4 Ų | 48.4 | 38% | 0.379 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 178.7 | -165.2 | -165.8 | 131.7 | 0 | 0 | 111.3 | D107 E108 A109 T114 Q115 R242 | D107-E111 PolarHBondContact O-N 3.39Å; D107-E111 VanDerWaalsContact O-N 3.12Å; E108-E111 PolarHBondContact O-N 3.08Å; A109-E111 VanDerWaalsContact C-N 3.34Å; A109-E111 PolarHBondContact O-N 3.04Å; E111-T114 PolarHBondContact O-N 3.47Å; E111-Q115 WeakPolarHBondContact O-CG 3.46Å; E111-Q115 PolarHBondContact O-N 3.16Å; E111-Q115 PolarHBondContact OE1-NE2 2.7Å; E111-R242 IonicContact OE1-CZ 3.47Å; E111-R242 VanDerWaalsContact OE1-CZ 3.27Å; E111-R242 IonicContact OE1-NH1 3.77Å; E111-R242 PolarHBondContact OE1-NH1 2.88Å; E111-R242 IonicContact OE1-NH2 2.69Å; E111-R242 PolarHBondContact OE1-NH2 3.48Å; E111-R242 IonicContact OE2-NH1 3.86Å |
| 112 | L | 88.8 | Confident | 88.2 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 179.5 | -70.7 | 171.2 | 0 | 0 | 0 | 112.2 | L93 Q96 A97 E100 E108 A109 T114 Q115 A116 A244 | L93-L112 HydrophobicContact CD2-CD2 3.91Å; Q96-L112 HydrophobicContact CB-CD1 4.27Å; A97-L112 HydrophobicContact CB-CB 3.57Å; A97-L112 HydrophobicContact CB-CD1 4.48Å; E100-L112 HydrophobicContact CG-CD1 4.26Å; E108-L112 HydrophobicContact CG-CD1 4.14Å; E108-L112 WeakPolarHBondContact O-CG 3.46Å; E108-L112 PolarHBondContact O-N 2.89Å; A109-L112 PolarHBondContact O-N 3.21Å; L112-T114 VanDerWaalsContact C-N 3.34Å; L112-T114 PolarHBondContact O-N 2.95Å; L112-Q115 PolarHBondContact O-N 3.36Å; L112-A116 WeakPolarHBondContact O-CB 3.37Å; L112-A116 PolarHBondContact O-N 2.78Å; L112-A244 HydrophobicContact CD2-CB 4.04Å |
| 113 | Y | 91.4 | Very high | 88.3 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 173.4 | -78.4 | -54.3 | 0 | 0 | 0 | 111.5 | V94 A97 F98 A109 Q115 A116 V117 A143 R146 A147 L150 | V94-Y113 HydrophobicContact CG1-CE1 4.16Å; A97-Y113 HydrophobicContact CB-CD1 3.55Å; A97-Y113 HydrophobicContact CB-CD2 3.75Å; A97-Y113 HydrophobicContact CB-CE1 3.55Å; A97-Y113 HydrophobicContact CB-CE2 3.75Å; A97-Y113 HydrophobicContact CB-CG 3.64Å; F98-Y113 VanDerWaalsContact CA-OH 3.28Å; F98-Y113 WeakPolarHBondContact CA-OH 3.14Å; F98-Y113 WeakPolarHBondContact CB-OH 3.37Å; F98-Y113 PolarHBondContact N-OH 3Å; A109-Y113 HydrophobicContact CB-CE2 4.47Å; A109-Y113 WeakPolarHBondContact O-CB 3.47Å; A109-Y113 WeakPolarHBondContact O-CD2 3.3Å; A109-Y113 PolarHBondContact O-N 3.44Å; Y113-Q115 PolarHBondContact O-N 3.49Å; Y113-A116 WeakPolarHBondContact O-CB 3.22Å; Y113-A116 PolarHBondContact O-N 3.24Å; Y113-V117 VanDerWaalsContact O-CG2 3.29Å; Y113-V117 WeakPolarHBondContact O-CG2 3.32Å; Y113-V117 PolarHBondContact O-N 2.96Å; Y113-A143 HydrophobicContact CD1-CB 3.8Å; Y113-R146 HydrophobicContact CD2-CG 4.39Å; Y113-R146 HydrophobicContact CE1-CB 4.49Å; Y113-R146 HydrophobicContact CE1-CG 4.49Å; Y113-R146 HydrophobicContact CE2-CB 4.22Å; Y113-R146 HydrophobicContact CE2-CG 3.64Å; Y113-A147 HydrophobicContact CD2-CB 4.49Å; Y113-A147 HydrophobicContact CG-CB 4.44Å; Y113-L150 HydrophobicContact CD2-CD1 4.29Å; Y113-L150 HydrophobicContact CE2-CD1 4.07Å |
| 114 | T | 89.8 | Confident | 88.5 | Confident | 48 Ų | 48 | 42 Ų | 42 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 178.9 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | I110 E111 L112 A116 V117 E118 | I110-T114 WeakPolarHBondContact O-CB 2.97Å; I110-T114 PolarHBondContact O-N 3.26Å; I110-T114 PolarHBondContact O-OG1 3.43Å; E111-T114 PolarHBondContact O-N 3.47Å; L112-T114 VanDerWaalsContact C-N 3.34Å; L112-T114 PolarHBondContact O-N 2.95Å; T114-A116 VanDerWaalsContact C-N 3.34Å; T114-A116 PolarHBondContact O-N 3.4Å; T114-V117 WeakPolarHBondContact O-CB 3.41Å; T114-V117 PolarHBondContact O-N 2.76Å; T114-E118 WeakPolarHBondContact O-CG 3.46Å; T114-E118 PolarHBondContact O-N 2.77Å |
| 115 | Q | 89.9 | Confident | 88.6 | Confident | 32 Ų | 32 | 45.5 Ų | 45.5 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 176.9 | -71.1 | 177.8 | 12.6 | 0 | 0 | 112.7 | E111 L112 Y113 V117 E118 L119 P246 | E111-Q115 WeakPolarHBondContact O-CG 3.46Å; E111-Q115 PolarHBondContact O-N 3.16Å; E111-Q115 PolarHBondContact OE1-NE2 2.7Å; L112-Q115 PolarHBondContact O-N 3.36Å; Y113-Q115 PolarHBondContact O-N 3.49Å; Q115-V117 VanDerWaalsContact C-N 3.34Å; Q115-E118 PolarHBondContact O-N 2.95Å; Q115-L119 WeakPolarHBondContact O-CB 3.36Å; Q115-L119 PolarHBondContact O-N 2.86Å; Q115-P246 VanDerWaalsContact OE1-CD 3.31Å |
| 116 | A | 89 | Confident | 88.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L93 V94 L112 Y113 T114 L119 C120 | L93-A116 HydrophobicContact CB-CB 3.79Å; V94-A116 HydrophobicContact CG2-CB 3.62Å; L112-A116 WeakPolarHBondContact O-CB 3.37Å; L112-A116 PolarHBondContact O-N 2.78Å; Y113-A116 WeakPolarHBondContact O-CB 3.22Å; Y113-A116 PolarHBondContact O-N 3.24Å; T114-A116 VanDerWaalsContact C-N 3.34Å; T114-A116 PolarHBondContact O-N 3.4Å; A116-L119 PolarHBondContact O-N 3.47Å; A116-C120 WeakPolarHBondContact O-CB 3.32Å; A116-C120 PolarHBondContact O-N 3.19Å; A116-C120 PolarHBondContact O-SG 2.9Å |
| 117 | V | 89.9 | Confident | 88.6 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 9% | 0.085 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -49 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | Y113 T114 Q115 L119 C120 I121 A140 A143 L144 | Y113-V117 VanDerWaalsContact O-CG2 3.29Å; Y113-V117 WeakPolarHBondContact O-CG2 3.32Å; Y113-V117 PolarHBondContact O-N 2.96Å; T114-V117 WeakPolarHBondContact O-CB 3.41Å; T114-V117 PolarHBondContact O-N 2.76Å; Q115-V117 VanDerWaalsContact C-N 3.34Å; V117-L119 VanDerWaalsContact C-N 3.34Å; V117-L119 PolarHBondContact O-N 2.81Å; V117-C120 PolarHBondContact O-N 2.85Å; V117-I121 HydrophobicContact CG1-CD1 3.68Å; V117-I121 HydrophobicContact CG1-CG1 4.36Å; V117-I121 WeakPolarHBondContact O-CG1 3.1Å; V117-I121 PolarHBondContact O-N 2.82Å; V117-A140 HydrophobicContact CG1-CB 4.41Å; V117-A140 WeakPolarHBondContact CG2-O 3.39Å; V117-A143 HydrophobicContact CG2-CB 3.68Å; V117-L144 HydrophobicContact CG2-CB 4.03Å |
| 118 | E | 90.1 | Very high | 88.3 | Confident | 122 Ų | 122 | 44.7 Ų | 44.7 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -57.8 | -46.2 | 178 | -73.1 | 178 | -179.7 | 0 | 0 | 111.9 | T114 Q115 I121 K122 | T114-E118 WeakPolarHBondContact O-CG 3.46Å; T114-E118 PolarHBondContact O-N 2.77Å; Q115-E118 PolarHBondContact O-N 2.95Å; E118-I121 PolarHBondContact O-N 3.11Å; E118-K122 WeakPolarHBondContact O-CB 3.36Å; E118-K122 PolarHBondContact O-N 3.4Å |
| 119 | L | 89.2 | Confident | 88.4 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 176.4 | -177.9 | 61.4 | 0 | 0 | 0 | 111.1 | D86 R89 A90 L93 Q115 A116 V117 I121 K122 T123 | D86-L119 HydrophobicContact CB-CD1 4.42Å; R89-L119 HydrophobicContact CB-CD2 4.06Å; R89-L119 HydrophobicContact CG-CD2 4.27Å; A90-L119 HydrophobicContact CB-CD2 4.09Å; A90-L119 HydrophobicContact CB-CG 4.48Å; L93-L119 HydrophobicContact CD1-CD2 4.01Å; Q115-L119 WeakPolarHBondContact O-CB 3.36Å; Q115-L119 PolarHBondContact O-N 2.86Å; A116-L119 PolarHBondContact O-N 3.47Å; V117-L119 VanDerWaalsContact C-N 3.34Å; V117-L119 PolarHBondContact O-N 2.81Å; L119-I121 PolarHBondContact O-N 2.88Å; L119-K122 PolarHBondContact O-N 3.37Å; L119-T123 WeakPolarHBondContact O-CB 3.47Å; L119-T123 PolarHBondContact O-N 3.49Å; L119-T123 PolarHBondContact O-OG1 2.84Å |
| 120 | C | 88.1 | Confident | 88.2 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 179 | -73.2 | 0 | 0 | 0 | 0 | 112.7 | A90 A116 V117 S124 L136 A140 | A90-C120 WeakPolarHBondContact CB-SG 3.49Å; A116-C120 WeakPolarHBondContact O-CB 3.32Å; A116-C120 PolarHBondContact O-N 3.19Å; A116-C120 PolarHBondContact O-SG 2.9Å; V117-C120 PolarHBondContact O-N 2.85Å; C120-S124 WeakPolarHBondContact O-CB 3.44Å; C120-S124 PolarHBondContact O-N 3.13Å; C120-L136 HydrophobicContact CB-CB 4.42Å; C120-L136 HydrophobicContact CB-CD2 4.29Å; C120-A140 HydrophobicContact CB-CB 3.73Å |
| 121 | I | 88.8 | Confident | 88.1 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 44% | 0.441 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 179.5 | -68.1 | 170.7 | 0 | 0 | 0 | 109.9 | V117 E118 L119 S124 N125 | V117-I121 HydrophobicContact CG1-CD1 3.68Å; V117-I121 HydrophobicContact CG1-CG1 4.36Å; V117-I121 WeakPolarHBondContact O-CG1 3.1Å; V117-I121 PolarHBondContact O-N 2.82Å; E118-I121 PolarHBondContact O-N 3.11Å; L119-I121 PolarHBondContact O-N 2.88Å; I121-S124 PolarHBondContact O-N 3.36Å; I121-N125 PolarHBondContact O-N 2.93Å; I121-N125 PolarHBondContact O-ND2 2.81Å |
| 122 | K | 89.7 | Confident | 87.8 | Confident | 114 Ų | 114 | 52.1 Ų | 52.1 | 50% | 0.496 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.4 | -53.7 | 178.5 | -177 | -179.1 | 177.8 | -179.9 | 0 | 111.4 | E118 L119 S124 N125 E126 | E118-K122 WeakPolarHBondContact O-CB 3.36Å; E118-K122 PolarHBondContact O-N 3.4Å; L119-K122 PolarHBondContact O-N 3.37Å; K122-S124 VanDerWaalsContact C-N 3.3Å; K122-S124 PolarHBondContact O-N 2.77Å; K122-N125 PolarHBondContact O-N 3.13Å; K122-N125 VanDerWaalsContact O-N 3.13Å; K122-E126 WeakPolarHBondContact CE-OE1 3.49Å; K122-E126 WeakPolarHBondContact CG-OE1 3.46Å; K122-E126 WeakPolarHBondContact O-CG 3.35Å; K122-E126 PolarHBondContact O-N 3.4Å; K122-E126 VanDerWaalsContact O-N 3.08Å |
| 123 | T | 87.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -35 | -179.7 | -56 | 0 | 0 | 0 | 0 | 111.8 | H83 D86 L119 N125 E126 S127 L136 | H83-T123 HydrophobicContact CB-CG2 3.8Å; D86-T123 HydrophobicContact CB-CG2 3.77Å; D86-T123 WeakPolarHBondContact CB-OG1 3.3Å; L119-T123 WeakPolarHBondContact O-CB 3.47Å; L119-T123 PolarHBondContact O-N 3.49Å; L119-T123 PolarHBondContact O-OG1 2.84Å; T123-N125 VanDerWaalsContact C-N 3.31Å; T123-N125 PolarHBondContact O-N 3.04Å; T123-E126 PolarHBondContact O-N 3.41Å; T123-S127 VanDerWaalsContact O-CB 3.23Å; T123-S127 WeakPolarHBondContact O-CB 3.45Å; T123-S127 PolarHBondContact O-N 2.99Å; T123-L136 HydrophobicContact CG2-CD1 3.72Å; T123-L136 HydrophobicContact CG2-CD2 4.41Å |
| 124 | S | 88.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.9 | -32.6 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | C120 I121 K122 Q133 K137 | C120-S124 WeakPolarHBondContact O-CB 3.44Å; C120-S124 PolarHBondContact O-N 3.13Å; I121-S124 PolarHBondContact O-N 3.36Å; K122-S124 VanDerWaalsContact C-N 3.3Å; K122-S124 PolarHBondContact O-N 2.77Å; S124-Q133 WeakPolarHBondContact O-CG 3.23Å; S124-Q133 PolarHBondContact O-NE2 2.58Å; S124-K137 WeakPolarHBondContact OG-CE 3.09Å |
| 125 | N | 86.9 | Confident | 87.5 | Confident | 123 Ų | 123 | 61.3 Ų | 61.3 | 66% | 0.658 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -77.6 | -31.2 | 178.3 | -69 | -19.3 | 0 | 0 | 0 | 112 | I121 K122 T123 | I121-N125 PolarHBondContact O-N 2.93Å; I121-N125 PolarHBondContact O-ND2 2.81Å; K122-N125 PolarHBondContact O-N 3.13Å; K122-N125 VanDerWaalsContact O-N 3.13Å; T123-N125 VanDerWaalsContact C-N 3.31Å; T123-N125 PolarHBondContact O-N 3.04Å |
| 126 | E | 87.7 | Confident | 87.3 | Confident | 86 Ų | 86 | 59.8 Ų | 59.8 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -81.6 | -28.6 | 178.1 | -68.2 | 174.3 | -175.3 | 0 | 0 | 112.7 | K122 T123 | K122-E126 WeakPolarHBondContact CE-OE1 3.49Å; K122-E126 WeakPolarHBondContact CG-OE1 3.46Å; K122-E126 WeakPolarHBondContact O-CG 3.35Å; K122-E126 PolarHBondContact O-N 3.4Å; K122-E126 VanDerWaalsContact O-N 3.08Å; T123-E126 PolarHBondContact O-N 3.41Å |
| 127 | S | 84.7 | Confident | 87.3 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | trans | -77.9 | 140.2 | -179.1 | -178.1 | 0 | 0 | 0 | 0 | 113 | T123 D129 Q133 | T123-S127 VanDerWaalsContact O-CB 3.23Å; T123-S127 WeakPolarHBondContact O-CB 3.45Å; T123-S127 PolarHBondContact O-N 2.99Å; S127-D129 PolarHBondContact OG-N 2.95Å; S127-Q133 PolarHBondContact O-NE2 3.42Å | ||
| 128 | S | 82.2 | Confident | 87.3 | Confident | 120 Ų | 120 | 69.3 Ų | 69.3 | 84% | 0.839 | 36% | 0.356 | S | S | * | . | trans | -95.1 | -3.2 | 171.9 | -44.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 129 | D | 86.6 | Confident | 87.2 | Confident | 75 Ų | 75 | 63.9 Ų | 63.9 | 40% | 0.401 | 33% | 0.331 | S | S | . | . | trans | -88.4 | 113 | -178.6 | 178.1 | -6.8 | 0 | 0 | 0 | 111.3 | S127 S131 L132 Q133 | S127-D129 PolarHBondContact OG-N 2.95Å; D129-S131 VanDerWaalsContact C-N 3.33Å; D129-S131 PolarHBondContact O-N 3.46Å; D129-S131 WeakPolarHBondContact OD1-CB 3.47Å; D129-S131 PolarHBondContact OD1-N 3.43Å; D129-L132 HydrophobicContact CB-CB 3.93Å; D129-L132 PolarHBondContact O-N 3.04Å; D129-L132 PolarHBondContact OD1-N 2.87Å; D129-Q133 WeakPolarHBondContact O-CB 3.32Å; D129-Q133 VanDerWaalsContact O-CG 3.27Å; D129-Q133 WeakPolarHBondContact O-CG 3.2Å; D129-Q133 PolarHBondContact O-N 3.11Å | ||
| 130 | Q | 84.5 | Confident | 87.1 | Confident | 155 Ų | 155 | 63.7 Ų | 63.7 | 72% | 0.724 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.2 | -34.3 | -179.5 | -77.7 | -178.6 | -5 | 0 | 0 | 113.9 | T134 | Q130-T134 WeakPolarHBondContact O-CB 3.36Å; Q130-T134 PolarHBondContact O-N 2.93Å; Q130-T134 PolarHBondContact O-OG1 3.45Å |
| 131 | S | 86.3 | Confident | 87.2 | Confident | 71 Ų | 71 | 71.9 Ų | 71.9 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.4 | -46.6 | 178.2 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | D129 T134 K135 | D129-S131 VanDerWaalsContact C-N 3.33Å; D129-S131 PolarHBondContact O-N 3.46Å; D129-S131 WeakPolarHBondContact OD1-CB 3.47Å; D129-S131 PolarHBondContact OD1-N 3.43Å; S131-T134 PolarHBondContact O-N 3Å; S131-K135 PolarHBondContact O-N 3.15Å; S131-K135 VanDerWaalsContact O-N 3.15Å |
| 132 | L | 86.1 | Confident | 87.2 | Confident | 12 Ų | 12 | 71 Ų | 71 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.3 | -168.9 | 70.8 | 0 | 0 | 0 | 112 | H83 Q84 L87 D129 T134 K135 L136 | H83-L132 HydrophobicContact CB-CD2 3.4Å; H83-L132 VanDerWaalsContact CB-CD2 3.4Å; Q84-L132 HydrophobicContact CG-CD1 4.26Å; Q84-L132 HydrophobicContact CG-CD2 4.46Å; L87-L132 HydrophobicContact CB-CD1 4.22Å; L87-L132 HydrophobicContact CD2-CD1 3.51Å; L87-L132 HydrophobicContact CG-CD1 4.44Å; D129-L132 HydrophobicContact CB-CB 3.93Å; D129-L132 PolarHBondContact O-N 3.04Å; D129-L132 PolarHBondContact OD1-N 2.87Å; L132-T134 VanDerWaalsContact C-N 3.27Å; L132-T134 PolarHBondContact O-N 3.09Å; L132-K135 PolarHBondContact O-N 3.38Å; L132-L136 HydrophobicContact CD2-CD1 4.44Å; L132-L136 HydrophobicContact CG-CD1 3.97Å; L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 2.98Å |
| 133 | Q | 86.2 | Confident | 87.2 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.5 | -40.6 | 174.7 | -75.3 | -178.3 | -6.3 | 0 | 0 | 112.1 | S124 S127 D129 L136 K137 | S124-Q133 WeakPolarHBondContact O-CG 3.23Å; S124-Q133 PolarHBondContact O-NE2 2.58Å; S127-Q133 PolarHBondContact O-NE2 3.42Å; D129-Q133 WeakPolarHBondContact O-CB 3.32Å; D129-Q133 VanDerWaalsContact O-CG 3.27Å; D129-Q133 WeakPolarHBondContact O-CG 3.2Å; D129-Q133 PolarHBondContact O-N 3.11Å; Q133-L136 PolarHBondContact O-N 2.83Å; Q133-K137 WeakPolarHBondContact O-CB 3.26Å; Q133-K137 VanDerWaalsContact O-CG 3.26Å; Q133-K137 WeakPolarHBondContact O-CG 3.43Å; Q133-K137 PolarHBondContact O-N 2.71Å |
| 134 | T | 87.8 | Confident | 87.3 | Confident | 92 Ų | 92 | 69.2 Ų | 69.2 | 56% | 0.564 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64 | -46 | 178.9 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | Q130 S131 L132 K137 Q138 | Q130-T134 WeakPolarHBondContact O-CB 3.36Å; Q130-T134 PolarHBondContact O-N 2.93Å; Q130-T134 PolarHBondContact O-OG1 3.45Å; S131-T134 PolarHBondContact O-N 3Å; L132-T134 VanDerWaalsContact C-N 3.27Å; L132-T134 PolarHBondContact O-N 3.09Å; T134-K137 PolarHBondContact O-N 2.83Å; T134-Q138 WeakPolarHBondContact O-CB 3.49Å; T134-Q138 PolarHBondContact O-N 2.84Å |
| 135 | K | 87.8 | Confident | 87.4 | Confident | 116 Ų | 116 | 74.2 Ų | 74.2 | 50% | 0.504 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 176.8 | -68.1 | -179.1 | -178.7 | -174.6 | 0 | 112.3 | L87 S131 L132 Q138 L139 | L87-K135 HydrophobicContact CD2-CB 4.36Å; L87-K135 HydrophobicContact CD2-CD 4.37Å; S131-K135 PolarHBondContact O-N 3.15Å; S131-K135 VanDerWaalsContact O-N 3.15Å; L132-K135 PolarHBondContact O-N 3.38Å; K135-Q138 PolarHBondContact O-N 3.15Å; K135-L139 WeakPolarHBondContact O-CB 3.4Å; K135-L139 PolarHBondContact O-N 3.13Å |
| 136 | L | 86.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 178.1 | -72.9 | 163.7 | 0 | 0 | 0 | 111.8 | L87 C120 T123 L132 Q133 Q138 L139 A140 | L87-L136 HydrophobicContact CB-CD2 3.99Å; L87-L136 HydrophobicContact CD1-CD2 3.5Å; L87-L136 VanDerWaalsContact CD1-CD2 3.5Å; L87-L136 HydrophobicContact CD1-CG 3.98Å; L87-L136 HydrophobicContact CG-CD2 4.32Å; C120-L136 HydrophobicContact CB-CB 4.42Å; C120-L136 HydrophobicContact CB-CD2 4.29Å; T123-L136 HydrophobicContact CG2-CD1 3.72Å; T123-L136 HydrophobicContact CG2-CD2 4.41Å; L132-L136 HydrophobicContact CD2-CD1 4.44Å; L132-L136 HydrophobicContact CG-CD1 3.97Å; L132-L136 WeakPolarHBondContact O-CG 3.48Å; L132-L136 PolarHBondContact O-N 2.98Å; Q133-L136 PolarHBondContact O-N 2.83Å; L136-Q138 VanDerWaalsContact C-N 3.35Å; L136-Q138 PolarHBondContact O-N 3.49Å; L136-L139 PolarHBondContact O-N 3.5Å; L136-A140 WeakPolarHBondContact O-CB 3.4Å; L136-A140 PolarHBondContact O-N 3.11Å |
| 137 | K | 88.6 | Confident | 87.6 | Confident | 103 Ų | 103 | 69.5 Ų | 69.5 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 177 | -74.3 | 174.1 | -176.8 | 174.3 | 0 | 112.3 | S124 Q133 T134 R141 | S124-K137 WeakPolarHBondContact OG-CE 3.09Å; Q133-K137 WeakPolarHBondContact O-CB 3.26Å; Q133-K137 VanDerWaalsContact O-CG 3.26Å; Q133-K137 WeakPolarHBondContact O-CG 3.43Å; Q133-K137 PolarHBondContact O-N 2.71Å; T134-K137 PolarHBondContact O-N 2.83Å; K137-R141 WeakPolarHBondContact O-CG 3.45Å; K137-R141 PolarHBondContact O-N 3.18Å |
| 138 | Q | 90.6 | Very high | 87.8 | Confident | 110 Ų | 110 | 73.9 Ų | 73.9 | 51% | 0.514 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 175.7 | -178.3 | 179.6 | -4.4 | 0 | 0 | 111.2 | T134 K135 L136 A140 R141 Q142 | T134-Q138 WeakPolarHBondContact O-CB 3.49Å; T134-Q138 PolarHBondContact O-N 2.84Å; K135-Q138 PolarHBondContact O-N 3.15Å; L136-Q138 VanDerWaalsContact C-N 3.35Å; L136-Q138 PolarHBondContact O-N 3.49Å; Q138-A140 VanDerWaalsContact C-N 3.34Å; Q138-A140 PolarHBondContact O-N 3.03Å; Q138-R141 PolarHBondContact O-N 2.64Å; Q138-Q142 WeakPolarHBondContact O-CG 3.4Å; Q138-Q142 PolarHBondContact O-N 3.4Å; Q138-Q142 VanDerWaalsContact O-N 3.09Å |
| 139 | L | 88.1 | Confident | 88.1 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 178.1 | -172.3 | 64.5 | 0 | 0 | 0 | 111.5 | L87 A90 V94 K135 L136 R141 Q142 A143 | L87-L139 HydrophobicContact CD1-CD2 4.2Å; A90-L139 HydrophobicContact CB-CD2 3.87Å; V94-L139 HydrophobicContact CB-CD1 4.3Å; V94-L139 HydrophobicContact CG1-CD1 4.19Å; V94-L139 HydrophobicContact CG2-CD1 3.92Å; V94-L139 HydrophobicContact CG2-CD2 4.43Å; V94-L139 HydrophobicContact CG2-CG 4.09Å; K135-L139 WeakPolarHBondContact O-CB 3.4Å; K135-L139 PolarHBondContact O-N 3.13Å; L136-L139 PolarHBondContact O-N 3.5Å; L139-R141 PolarHBondContact O-N 3.48Å; L139-Q142 PolarHBondContact O-N 3.36Å; L139-A143 WeakPolarHBondContact O-CB 3.35Å; L139-A143 PolarHBondContact O-N 3.36Å |
| 140 | A | 88.2 | Confident | 88.1 | Confident | 9 Ų | 9 | 66 Ų | 66 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V117 C120 L136 Q138 A143 L144 | V117-A140 HydrophobicContact CG1-CB 4.41Å; V117-A140 WeakPolarHBondContact CG2-O 3.39Å; C120-A140 HydrophobicContact CB-CB 3.73Å; L136-A140 WeakPolarHBondContact O-CB 3.4Å; L136-A140 PolarHBondContact O-N 3.11Å; Q138-A140 VanDerWaalsContact C-N 3.34Å; Q138-A140 PolarHBondContact O-N 3.03Å; A140-A143 PolarHBondContact O-N 2.76Å; A140-L144 VanDerWaalsContact O-CB 3.26Å; A140-L144 WeakPolarHBondContact O-CB 3.38Å; A140-L144 PolarHBondContact O-N 3.04Å |
| 141 | R | 89.1 | Confident | 88.2 | Confident | 174 Ų | 174 | 63.7 Ų | 63.7 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.6 | -47.6 | 177.8 | -75 | 173.5 | -177.9 | 176.4 | -0.2 | 111.6 | K137 Q138 L139 A143 L144 D145 | K137-R141 WeakPolarHBondContact O-CG 3.45Å; K137-R141 PolarHBondContact O-N 3.18Å; Q138-R141 PolarHBondContact O-N 2.64Å; L139-R141 PolarHBondContact O-N 3.48Å; R141-A143 PolarHBondContact O-N 2.96Å; R141-L144 PolarHBondContact O-N 3.07Å; R141-D145 WeakPolarHBondContact O-CB 3.24Å; R141-D145 PolarHBondContact O-N 2.71Å |
| 142 | Q | 89.7 | Confident | 88.2 | Confident | 67 Ų | 67 | 65.4 Ų | 65.4 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 179.3 | -70.7 | 176.2 | -16.9 | 0 | 0 | 112.4 | Q138 L139 R146 L184 | Q138-Q142 WeakPolarHBondContact O-CG 3.4Å; Q138-Q142 PolarHBondContact O-N 3.4Å; Q138-Q142 VanDerWaalsContact O-N 3.09Å; L139-Q142 PolarHBondContact O-N 3.36Å; Q142-R146 PolarHBondContact O-N 2.85Å; Q142-L184 HydrophobicContact CG-CD2 4.25Å |
| 143 | A | 88.2 | Confident | 88 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.9 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V94 Y113 V117 L139 A140 R141 R146 A147 | V94-A143 HydrophobicContact CG2-CB 4.03Å; Y113-A143 HydrophobicContact CD1-CB 3.8Å; V117-A143 HydrophobicContact CG2-CB 3.68Å; L139-A143 WeakPolarHBondContact O-CB 3.35Å; L139-A143 PolarHBondContact O-N 3.36Å; A140-A143 PolarHBondContact O-N 2.76Å; R141-A143 PolarHBondContact O-N 2.96Å; A143-R146 PolarHBondContact O-N 2.88Å; A143-A147 WeakPolarHBondContact O-CB 3.46Å; A143-A147 PolarHBondContact O-N 3.43Å |
| 144 | L | 90.7 | Very high | 87.6 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 40% | 0.398 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.5 | -48.9 | 178.4 | -175.9 | 64.1 | 0 | 0 | 0 | 111.7 | V117 A140 R141 R146 A147 E148 | V117-L144 HydrophobicContact CG2-CB 4.03Å; A140-L144 VanDerWaalsContact O-CB 3.26Å; A140-L144 WeakPolarHBondContact O-CB 3.38Å; A140-L144 PolarHBondContact O-N 3.04Å; R141-L144 PolarHBondContact O-N 3.07Å; L144-R146 PolarHBondContact O-N 2.81Å; L144-A147 PolarHBondContact O-N 3.19Å; L144-A147 VanDerWaalsContact O-N 3.15Å; L144-E148 HydrophobicContact CD1-CG 4.38Å; L144-E148 WeakPolarHBondContact O-CG 3.26Å; L144-E148 PolarHBondContact O-N 3.49Å |
| 145 | D | 89.3 | Confident | 86.9 | Confident | 108 Ų | 108 | 66.7 Ų | 66.7 | 58% | 0.578 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.2 | -40.2 | 178.6 | -69.6 | -15.7 | 0 | 0 | 0 | 110.9 | R141 G149 | R141-D145 WeakPolarHBondContact O-CB 3.24Å; R141-D145 PolarHBondContact O-N 2.71Å; D145-G149 PolarHBondContact O-N 3.3Å |
| 146 | R | 89.8 | Confident | 86 | Confident | 107 Ų | 107 | 67.3 Ų | 67.3 | 40% | 0.404 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.2 | -43.3 | 178.1 | -170.7 | 60.3 | -177.8 | 148.7 | 6.9 | 112.4 | D101 Y113 Q142 A143 L144 E148 G149 L150 | D101-R146 IonicContact OD1-CZ 3.43Å; D101-R146 IonicContact OD1-NH2 3.26Å; D101-R146 PolarHBondContact OD1-NH2 3.38Å; D101-R146 IonicContact OD2-CZ 2.69Å; D101-R146 IonicContact OD2-NE 3.45Å; D101-R146 PolarHBondContact OD2-NE 3.06Å; D101-R146 IonicContact OD2-NH2 2.78Å; D101-R146 PolarHBondContact OD2-NH2 3.09Å; Y113-R146 HydrophobicContact CD2-CG 4.39Å; Y113-R146 HydrophobicContact CE1-CB 4.49Å; Y113-R146 HydrophobicContact CE1-CG 4.49Å; Y113-R146 HydrophobicContact CE2-CB 4.22Å; Y113-R146 HydrophobicContact CE2-CG 3.64Å; Q142-R146 PolarHBondContact O-N 2.85Å; A143-R146 PolarHBondContact O-N 2.88Å; L144-R146 PolarHBondContact O-N 2.81Å; R146-E148 VanDerWaalsContact C-N 3.33Å; R146-E148 PolarHBondContact O-N 2.83Å; R146-G149 PolarHBondContact O-N 3.45Å; R146-L150 WeakPolarHBondContact O-CG 3.29Å; R146-L150 PolarHBondContact O-N 2.98Å |
| 147 | A | 88.4 | Confident | 84.8 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y113 A143 L144 L150 K151 | Y113-A147 HydrophobicContact CD2-CB 4.49Å; Y113-A147 HydrophobicContact CG-CB 4.44Å; A143-A147 WeakPolarHBondContact O-CB 3.46Å; A143-A147 PolarHBondContact O-N 3.43Å; L144-A147 PolarHBondContact O-N 3.19Å; L144-A147 VanDerWaalsContact O-N 3.15Å; A147-L150 PolarHBondContact O-N 3.01Å; A147-K151 WeakPolarHBondContact O-CG 3.47Å; A147-K151 PolarHBondContact O-N 3.38Å |
| 148 | E | 89.4 | Confident | 83.3 | Confident | 97 Ų | 97 | 70.7 Ų | 70.7 | 45% | 0.453 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 174.8 | -71.4 | -177.4 | 171.6 | 0 | 0 | 111.3 | L144 R146 L150 K151 E152 | L144-E148 HydrophobicContact CD1-CG 4.38Å; L144-E148 WeakPolarHBondContact O-CG 3.26Å; L144-E148 PolarHBondContact O-N 3.49Å; R146-E148 VanDerWaalsContact C-N 3.33Å; R146-E148 PolarHBondContact O-N 2.83Å; E148-L150 VanDerWaalsContact C-N 3.31Å; E148-L150 PolarHBondContact O-N 3.29Å; E148-K151 PolarHBondContact O-N 3.4Å; E148-E152 WeakPolarHBondContact O-CG 3.46Å; E148-E152 PolarHBondContact O-N 3.46Å |
| 149 | G | 87.6 | Confident | 81.4 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 25% | 0.247 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.5 | -37.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D145 R146 S153 | D145-G149 PolarHBondContact O-N 3.3Å; R146-G149 PolarHBondContact O-N 3.45Å; G149-S153 WeakPolarHBondContact O-CB 3.38Å; G149-S153 PolarHBondContact O-N 3.25Å; G149-S153 PolarHBondContact O-OG 2.92Å |
| 150 | L | 87.8 | Confident | 79.6 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.4 | -44.9 | 174.5 | -71.3 | 173.3 | 0 | 0 | 0 | 111.7 | D101 A109 I110 Y113 R146 A147 E148 E152 S153 Q154 | D101-L150 HydrophobicContact CB-CD1 4.33Å; A109-L150 HydrophobicContact CB-CD1 4.04Å; I110-L150 HydrophobicContact CD1-CB 3.91Å; I110-L150 HydrophobicContact CG1-CB 3.76Å; I110-L150 HydrophobicContact CG1-CD1 4.19Å; Y113-L150 HydrophobicContact CD2-CD1 4.29Å; Y113-L150 HydrophobicContact CE2-CD1 4.07Å; R146-L150 WeakPolarHBondContact O-CG 3.29Å; R146-L150 PolarHBondContact O-N 2.98Å; A147-L150 PolarHBondContact O-N 3.01Å; E148-L150 VanDerWaalsContact C-N 3.31Å; E148-L150 PolarHBondContact O-N 3.29Å; L150-E152 VanDerWaalsContact C-N 3.34Å; L150-E152 PolarHBondContact O-N 3.4Å; L150-S153 WeakPolarHBondContact O-CB 3.48Å; L150-S153 PolarHBondContact O-N 3.01Å; L150-S153 VanDerWaalsContact O-N 3.11Å; L150-Q154 WeakPolarHBondContact O-CG 3.41Å; L150-Q154 PolarHBondContact O-N 3.11Å |
| 151 | K | 86.9 | Confident | 77.5 | Confident | 106 Ų | 106 | 79.8 Ų | 79.8 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 175 | -74.1 | 178.1 | -177 | 175.1 | 0 | 112.5 | I110 A147 E148 S153 Q154 S155 | I110-K151 HydrophobicContact CD1-CG 3.73Å; I110-K151 HydrophobicContact CG1-CG 4.28Å; I110-K151 HydrophobicContact CG2-CD 4.4Å; I110-K151 HydrophobicContact CG2-CG 4.25Å; A147-K151 WeakPolarHBondContact O-CG 3.47Å; A147-K151 PolarHBondContact O-N 3.38Å; E148-K151 PolarHBondContact O-N 3.4Å; K151-S153 VanDerWaalsContact C-N 3.32Å; K151-S153 PolarHBondContact O-N 3.28Å; K151-Q154 PolarHBondContact O-N 3.41Å; K151-S155 PolarHBondContact O-N 3Å; K151-S155 PolarHBondContact O-OG 2.78Å |
| 152 | E | 85.6 | Confident | 75.3 | Confident | 108 Ų | 108 | 76 Ų | 76 | 51% | 0.505 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 174.4 | -76.4 | -169.6 | -171.2 | 0 | 0 | 112.1 | E148 L150 S155 K156 | E148-E152 WeakPolarHBondContact O-CG 3.46Å; E148-E152 PolarHBondContact O-N 3.46Å; L150-E152 VanDerWaalsContact C-N 3.34Å; L150-E152 PolarHBondContact O-N 3.4Å; E152-S155 WeakPolarHBondContact CA-OG 3.33Å; E152-S155 PolarHBondContact O-OG 2.87Å; E152-K156 WeakPolarHBondContact O-CB 3.35Å; E152-K156 VanDerWaalsContact O-CG 3.31Å; E152-K156 WeakPolarHBondContact O-CG 3.38Å; E152-K156 PolarHBondContact O-N 2.92Å; E152-K156 VanDerWaalsContact O-N 3.08Å; E152-K156 IonicContact OE2-NZ 3.8Å |
| 153 | S | 81.2 | Confident | 72.9 | Confident | 66 Ų | 66 | 81 Ų | 81 | 46% | 0.462 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 177.6 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | G149 L150 K151 K156 S157 | G149-S153 WeakPolarHBondContact O-CB 3.38Å; G149-S153 PolarHBondContact O-N 3.25Å; G149-S153 PolarHBondContact O-OG 2.92Å; L150-S153 WeakPolarHBondContact O-CB 3.48Å; L150-S153 PolarHBondContact O-N 3.01Å; L150-S153 VanDerWaalsContact O-N 3.11Å; K151-S153 VanDerWaalsContact C-N 3.32Å; K151-S153 PolarHBondContact O-N 3.28Å; S153-K156 PolarHBondContact O-N 3.14Å; S153-S157 PolarHBondContact O-N 2.91Å; S153-S157 PolarHBondContact O-OG 2.96Å |
| 154 | Q | 79 | Confident | 70.3 | Confident | 42 Ų | 42 | 88.4 Ų | 88.4 | 20% | 0.196 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 173.7 | -74.1 | -172.5 | -22.9 | 0 | 0 | 113 | D106 D107 L150 K151 K156 S157 N158 | D106-Q154 HydrophobicContact CB-CG 4.17Å; D107-Q154 PolarHBondContact OD1-NE2 2.82Å; L150-Q154 WeakPolarHBondContact O-CG 3.41Å; L150-Q154 PolarHBondContact O-N 3.11Å; K151-Q154 PolarHBondContact O-N 3.41Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; Q154-S157 WeakPolarHBondContact CA-OG 3.41Å; Q154-S157 PolarHBondContact O-N 3.47Å; Q154-S157 PolarHBondContact O-OG 3.1Å; Q154-N158 WeakPolarHBondContact O-CB 3.18Å; Q154-N158 PolarHBondContact O-N 3.46Å; Q154-N158 PolarHBondContact O-ND2 2.81Å |
| 155 | S | 72.8 | Confident | 67.6 | Low | 69 Ų | 69 | 96 Ų | 96 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 176.6 | 61 | 0 | 0 | 0 | 0 | 112.2 | K151 E152 S159 | K151-S155 PolarHBondContact O-N 3Å; K151-S155 PolarHBondContact O-OG 2.78Å; E152-S155 WeakPolarHBondContact CA-OG 3.33Å; E152-S155 PolarHBondContact O-OG 2.87Å; S155-S159 WeakPolarHBondContact O-CB 3.3Å; S155-S159 PolarHBondContact O-N 2.91Å; S155-S159 VanDerWaalsContact O-N 3.09Å; S155-S159 PolarHBondContact O-OG 3.43Å |
| 156 | K | 69 | Low | 64.9 | Low | 128 Ų | 128 | 97 Ų | 97 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69 | -42.3 | 175 | -73.6 | 169.8 | -175.6 | 160.7 | 0 | 112.3 | E152 S153 Q154 S159 A160 | E152-K156 WeakPolarHBondContact O-CB 3.35Å; E152-K156 VanDerWaalsContact O-CG 3.31Å; E152-K156 WeakPolarHBondContact O-CG 3.38Å; E152-K156 PolarHBondContact O-N 2.92Å; E152-K156 VanDerWaalsContact O-N 3.08Å; E152-K156 IonicContact OE2-NZ 3.8Å; S153-K156 PolarHBondContact O-N 3.14Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; K156-S159 PolarHBondContact O-N 3.09Å; K156-S159 PolarHBondContact O-OG 3.33Å; K156-A160 PolarHBondContact O-N 3.47Å; K156-A160 VanDerWaalsContact O-N 3.15Å |
| 157 | S | 61.5 | Low | 62 | Low | 64 Ų | 64 | 101.6 Ų | 101.6 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 177.1 | 62.5 | 0 | 0 | 0 | 0 | 112.8 | S153 Q154 S159 A160 Q161 | S153-S157 PolarHBondContact O-N 2.91Å; S153-S157 PolarHBondContact O-OG 2.96Å; Q154-S157 WeakPolarHBondContact CA-OG 3.41Å; Q154-S157 PolarHBondContact O-N 3.47Å; Q154-S157 PolarHBondContact O-OG 3.1Å; S157-S159 VanDerWaalsContact C-N 3.35Å; S157-A160 PolarHBondContact O-N 2.9Å; S157-Q161 PolarHBondContact O-N 2.81Å |
| 158 | N | 56.6 | Low | 59.8 | Low | 111 Ų | 111 | 107 Ų | 107 | 59% | 0.594 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.5 | -33.1 | 174.6 | -75.7 | -24.2 | 0 | 0 | 0 | 112.7 | Q154 | Q154-N158 WeakPolarHBondContact O-CB 3.18Å; Q154-N158 PolarHBondContact O-N 3.46Å; Q154-N158 PolarHBondContact O-ND2 2.81Å |
| 159 | S | 51.2 | Low | 56.9 | Low | 72 Ų | 72 | 108 Ų | 108 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.8 | -32.8 | 174.3 | 71.1 | 0 | 0 | 0 | 0 | 113 | S155 K156 S157 S162 | S155-S159 WeakPolarHBondContact O-CB 3.3Å; S155-S159 PolarHBondContact O-N 2.91Å; S155-S159 VanDerWaalsContact O-N 3.09Å; S155-S159 PolarHBondContact O-OG 3.43Å; K156-S159 PolarHBondContact O-N 3.09Å; K156-S159 PolarHBondContact O-OG 3.33Å; S157-S159 VanDerWaalsContact C-N 3.35Å; S159-S162 PolarHBondContact O-OG 2.85Å |
| 160 | A | 50.6 | Low | 54.2 | Low | 71 Ų | 71 | 112.8 Ų | 112.8 | 59% | 0.587 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.3 | -25.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K156 S157 S162 | K156-A160 PolarHBondContact O-N 3.47Å; K156-A160 VanDerWaalsContact O-N 3.15Å; S157-A160 PolarHBondContact O-N 2.9Å; A160-S162 VanDerWaalsContact C-N 3.28Å; A160-S162 PolarHBondContact O-N 2.89Å |
| 161 | Q | 43.8 | Very low | 51.4 | Low | 175 Ų | 175 | 116.3 Ų | 116.3 | 82% | 0.818 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -8 | 176.2 | -78.9 | -174.7 | -4.7 | 0 | 0 | 114.3 | S157 | S157-Q161 PolarHBondContact O-N 2.81Š|
| 162 | S | 41.4 | Very low | 48.5 | Very low | 95 Ų | 95 | 116.4 Ų | 116.4 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 0.1 | 179.6 | 65.9 | 0 | 0 | 0 | 0 | 114.7 | S159 A160 | S159-S162 PolarHBondContact O-OG 2.85Å; A160-S162 VanDerWaalsContact C-N 3.28Å; A160-S162 PolarHBondContact O-N 2.89Å |
| 163 | Q | 39.9 | Very low | 45.9 | Very low | 172 Ų | 172 | 115 Ų | 115 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | -133.9 | 83.9 | 176.9 | -72.2 | -170.4 | -11.6 | 0 | 0 | 111.7 | ||||
| 164 | D | 33.9 | Very low | 43.2 | Very low | 157 Ų | 157 | 117.7 Ų | 117.7 | 84% | 0.84 | 71% | 0.709 | S | S | * | * | trans | -138.3 | 87.7 | 154.2 | -156.8 | 2.4 | 0 | 0 | 0 | 111.5 | ||||
| 165 | R | 34.5 | Very low | 41 | Very low | 234 Ų | 234 | 120 Ų | 120 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | -149.9 | 118.3 | 146 | -96.3 | -170.5 | -176.1 | -162.3 | 0.4 | 109 | ||||
| 166 | T | 31.9 | Very low | 38.7 | Very low | 130 Ų | 130 | 120 Ų | 120 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | 102.4 | 100.6 | 157.1 | 66 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 167 | K | 30.1 | Very low | 36.6 | Very low | 203 Ų | 203 | 122.9 Ų | 122.9 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | 61 | 152.7 | 131.3 | -85 | -165.8 | 177.7 | -179.8 | 0 | 122.3 | ||||
| 168 | P | 41.7 | Very low | 35 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -103.3 | 148.3 | -153.1 | 38.8 | -30.7 | 0 | 0 | 0 | 113.7 | ||||
| 169 | S | 28.1 | Very low | 33.6 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -153.4 | 140.1 | 157.2 | 61.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 170 | S | 30.8 | Very low | 32.4 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -55.5 | 149.3 | 175.8 | 49.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 171 | G | 28.5 | Very low | 31.6 | Very low | 80 Ų | 80 | 140.4 Ų | 140.4 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 156.6 | 105.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 172 | A | 27.6 | Very low | 30.9 | Very low | 109 Ų | 109 | 141 Ų | 141 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -20.3 | 130 | 167.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 173 | G | 29.4 | Very low | 30.4 | Very low | 78 Ų | 78 | 141.2 Ų | 141.2 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | 88.6 | 102.8 | 113.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 174 | S | 25.2 | Very low | 30.3 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -162.7 | 121.4 | 136.5 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | G176 | S174-G176 PolarHBondContact O-N 2.91Š| ||
| 175 | G | 32.9 | Very low | 30.1 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | -66.6 | 123.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 176 | G | 24.1 | Very low | 29.9 | Very low | 69 Ų | 69 | 127.1 Ų | 127.1 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -106.3 | 118 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | S174 V178 | S174-G176 PolarHBondContact O-N 2.91Å; G176-V178 PolarHBondContact O-N 2.98Å | ||
| 177 | Q | 25.4 | Very low | 29.8 | Very low | 190 Ų | 190 | 129 Ų | 129 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -54.7 | 120.4 | 178.5 | -72.4 | 177.6 | -29.7 | 0 | 0 | 110.7 | R179 | Q177-R179 PolarHBondContact O-N 2.89Š| ||
| 178 | V | 27.7 | Very low | 30.2 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -61.7 | 107.4 | 159.9 | 177.7 | 0 | 0 | 0 | 0 | 106.1 | G176 Q180 | G176-V178 PolarHBondContact O-N 2.98Å; V178-Q180 PolarHBondContact O-N 3.34Å | ||
| 179 | R | 27.8 | Very low | 29.6 | Very low | 203 Ų | 203 | 125.5 Ų | 125.5 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -63 | 103.8 | 170.1 | -82.7 | -175.9 | 175.1 | 177.5 | -0.8 | 107.5 | Q177 F181 | Q177-R179 PolarHBondContact O-N 2.89Å; R179-F181 HydrophobicContact CB-CD2 4.49Å; R179-F181 HydrophobicContact CB-CE2 4.08Å; R179-F181 HydrophobicContact CB-CZ 4.47Å; R179-F181 VanDerWaalsContact O-CD2 3.23Å; R179-F181 WeakPolarHBondContact O-CD2 3.35Å; R179-F181 PolarHBondContact O-N 3.35Å | ||
| 180 | Q | 25.3 | Very low | 30.2 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 116.7 | 161.3 | -86.1 | 179.5 | -28.8 | 0 | 0 | 107.6 | V178 | V178-Q180 PolarHBondContact O-N 3.34Š|
| 181 | F | 33.8 | Very low | 30.1 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 125.6 | 175.9 | -77.9 | -89 | 0 | 0 | 0 | 109.5 | R179 | R179-F181 HydrophobicContact CB-CD2 4.49Å; R179-F181 HydrophobicContact CB-CE2 4.08Å; R179-F181 HydrophobicContact CB-CZ 4.47Å; R179-F181 VanDerWaalsContact O-CD2 3.23Å; R179-F181 WeakPolarHBondContact O-CD2 3.35Å; R179-F181 PolarHBondContact O-N 3.35Å |
| 182 | F | 29.7 | Very low | 30.1 | Very low | 187 Ų | 187 | 132.9 Ų | 132.9 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 146.2 | 175.8 | -75.8 | -89.2 | 0 | 0 | 0 | 110.9 | ||
| 183 | P | 31.1 | Very low | 30.1 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 153.7 | 176.6 | 24.5 | -31.7 | 0 | 0 | 0 | 112.3 | G185 | P183-G185 PolarHBondContact O-N 3.02Š|
| 184 | L | 36.3 | Very low | 29.9 | Very low | 89 Ų | 89 | 142.2 Ų | 142.2 | 47% | 0.466 | 77% | 0.766 | S | S | . | * | S | Bend | trans | -46.3 | 134.8 | 172.2 | -66.1 | 161.6 | 0 | 0 | 0 | 109.8 | Q142 F188 | Q142-L184 HydrophobicContact CG-CD2 4.25Å; L184-F188 HydrophobicContact CB-CD2 3.98Å; L184-F188 HydrophobicContact CB-CE2 4.4Å; L184-F188 HydrophobicContact CB-CG 4.26Å; L184-F188 HydrophobicContact CD1-CZ 4.48Å |
| 185 | G | 31 | Very low | 29.9 | Very low | 43 Ų | 43 | 145.5 Ų | 145.5 | 44% | 0.443 | 77% | 0.768 | S | S | . | * | trans | -60.6 | -170.7 | -164.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | P183 D187 F188 | P183-G185 PolarHBondContact O-N 3.02Å; G185-D187 PolarHBondContact O-N 3.33Å; G185-F188 PolarHBondContact O-N 3.45Å | ||
| 186 | P | 29.3 | Very low | 29.6 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -8.1 | -153.7 | 13.2 | -21.7 | 0 | 0 | 0 | 118.2 | ||
| 187 | D | 30.4 | Very low | 29.6 | Very low | 168 Ų | 168 | 151 Ų | 151 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -5.2 | 169.8 | -71.3 | -29 | 0 | 0 | 0 | 113.1 | G185 | G185-D187 PolarHBondContact O-N 3.33Š|
| 188 | F | 38.3 | Very low | 29.5 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 58% | 0.579 | 76% | 0.759 | S | S | * | * | trans | -103.6 | 87.1 | 170 | -81.4 | -93.9 | 0 | 0 | 0 | 110.4 | L184 G185 L190 | L184-F188 HydrophobicContact CB-CD2 3.98Å; L184-F188 HydrophobicContact CB-CE2 4.4Å; L184-F188 HydrophobicContact CB-CG 4.26Å; L184-F188 HydrophobicContact CD1-CZ 4.48Å; G185-F188 PolarHBondContact O-N 3.45Å; F188-L190 PolarHBondContact O-N 2.92Å | ||
| 189 | S | 28.2 | Very low | 29.4 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -85 | 106.6 | 171.1 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 190 | L | 40.5 | Very low | 29.1 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -95 | 19.1 | -177.9 | -97.9 | 164.7 | 0 | 0 | 0 | 114.6 | F188 | F188-L190 PolarHBondContact O-N 2.92Š| ||
| 191 | H | 29 | Very low | 29 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | -134.8 | 68.5 | -178 | -76.1 | -22.2 | 0 | 0 | 0 | 112.7 | ||||
| 192 | D | 28.1 | Very low | 28.8 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -165.4 | 91.9 | 138 | -133.5 | -5.2 | 0 | 0 | 0 | 109.8 | ||
| 193 | R | 28.1 | Very low | 28.6 | Very low | 200 Ų | 200 | 139.9 Ų | 139.9 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -175.9 | 101.5 | 160 | -97.6 | 138.5 | -174 | -141 | 10.4 | 107.7 | Q195 | R193-Q195 PolarHBondContact O-N 3.43Š| ||
| 194 | Q | 25.6 | Very low | 28.7 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | -43 | 131.3 | 167.5 | -69 | 170.1 | -10.6 | 0 | 0 | 109.6 | P196 | Q194-P196 WeakPolarHBondContact O-CD 3.41Š| ||
| 195 | Q | 24.9 | Very low | 28.5 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 89% | 0.893 | 73% | 0.727 | S | S | * | * | trans | -50.8 | 112.3 | 166.2 | -80.3 | 175.2 | -17.8 | 0 | 0 | 108.5 | R193 | R193-Q195 PolarHBondContact O-N 3.43Š| ||
| 196 | P | 26.3 | Very low | 29.2 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | trans | -71.5 | 132.8 | 161.9 | -5.7 | 25.3 | 0 | 0 | 0 | 106.3 | Q194 | Q194-P196 WeakPolarHBondContact O-CD 3.41Š| ||
| 197 | Q | 25 | Very low | 29.6 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -47 | 152.6 | 169.5 | -71.5 | -168.2 | -13.4 | 0 | 0 | 111.1 | I199 | Q197-I199 PolarHBondContact O-N 3.21Š| ||
| 198 | P | 23.5 | Very low | 29.7 | Very low | 134 Ų | 134 | 136 Ų | 136 | 87% | 0.87 | 70% | 0.701 | S | S | * | * | trans | -58 | 99.6 | 179.4 | 23.8 | -33.3 | 0 | 0 | 0 | 110.1 | R200 | P198-R200 PolarHBondContact O-N 3.43Å; P198-R200 VanDerWaalsContact O-N 3.09Å | ||
| 199 | I | 24.6 | Very low | 30 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | -71.7 | 106.7 | 169.2 | -62.2 | 175.4 | 0 | 0 | 0 | 105.2 | Q197 A201 | Q197-I199 PolarHBondContact O-N 3.21Å; I199-A201 PolarHBondContact O-N 2.9Å; I199-A201 VanDerWaalsContact O-N 3.13Å | ||
| 200 | R | 22.8 | Very low | 31.2 | Very low | 209 Ų | 209 | 131.1 Ų | 131.1 | 79% | 0.789 | 69% | 0.689 | S | S | * | * | trans | -44.4 | 119.6 | 169.6 | -127.7 | 176.1 | 180 | -179.3 | -0.9 | 108.2 | P198 V202 | P198-R200 PolarHBondContact O-N 3.43Å; P198-R200 VanDerWaalsContact O-N 3.09Å; R200-V202 PolarHBondContact O-N 3.02Å | ||
| 201 | A | 23.3 | Very low | 32.5 | Very low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -47.9 | 131.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | I199 Q203 | I199-A201 PolarHBondContact O-N 2.9Å; I199-A201 VanDerWaalsContact O-N 3.13Å; A201-Q203 PolarHBondContact O-N 3.01Å | ||
| 202 | V | 28.4 | Very low | 35.1 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | trans | -52.6 | 111 | 172.2 | 175.3 | 0 | 0 | 0 | 0 | 105.6 | R200 S204 | R200-V202 PolarHBondContact O-N 3.02Å; V202-S204 PolarHBondContact O-N 3.33Å | ||
| 203 | Q | 26.3 | Very low | 38 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 62% | 0.621 | 66% | 0.655 | S | S | * | * | trans | -57.9 | 107.2 | 174.6 | -71.8 | 176.3 | -27.5 | 0 | 0 | 105.4 | A201 S205 | A201-Q203 PolarHBondContact O-N 3.01Å; Q203-S205 PolarHBondContact O-N 3.49Å | ||
| 204 | S | 31.9 | Very low | 40.8 | Very low | 55 Ų | 55 | 123.1 Ų | 123.1 | 39% | 0.385 | 66% | 0.655 | S | S | . | * | trans | -46.9 | 136 | 146.3 | 40.7 | 0 | 0 | 0 | 0 | 104.8 | V202 E206 | V202-S204 PolarHBondContact O-N 3.33Å; S204-E206 PolarHBondContact O-N 3.37Å; S204-E206 VanDerWaalsContact OG-CD 3.23Å; S204-E206 WeakPolarHBondContact OG-CG 3.32Å; S204-E206 PolarHBondContact OG-OE1 2.77Å | ||
| 205 | S | 34 | Very low | 43.8 | Very low | 63 Ų | 63 | 118.1 Ų | 118.1 | 44% | 0.441 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -66.3 | 57.9 | 169.8 | 53.2 | 0 | 0 | 0 | 0 | 109.2 | Q203 | Q203-S205 PolarHBondContact O-N 3.49Š|
| 206 | E | 43.7 | Very low | 46.9 | Very low | 100 Ų | 100 | 109.7 Ų | 109.7 | 47% | 0.467 | 59% | 0.592 | S | S | . | * | trans | -81.7 | 119.8 | 166.8 | -80.1 | 172.4 | -145.7 | 0 | 0 | 105.6 | S204 Q208 | S204-E206 PolarHBondContact O-N 3.37Å; S204-E206 VanDerWaalsContact OG-CD 3.23Å; S204-E206 WeakPolarHBondContact OG-CG 3.32Å; S204-E206 PolarHBondContact OG-OE1 2.77Å; E206-Q208 VanDerWaalsContact C-N 3.28Å; E206-Q208 PolarHBondContact O-N 2.67Å | ||
| 207 | P | 39.1 | Very low | 49.9 | Very low | 54 Ų | 54 | 108.1 Ų | 108.1 | 35% | 0.351 | 58% | 0.577 | S | S | . | * | trans | -65.2 | 96.9 | 167.2 | 24.8 | -27.6 | 0 | 0 | 0 | 107.4 | G209 Q210 | P207-G209 PolarHBondContact O-N 3.26Å; P207-Q210 HydrophobicContact CB-CB 4.35Å; P207-Q210 HydrophobicContact CG-CB 4.23Å; P207-Q210 VanDerWaalsContact CG-OE1 3.26Å; P207-Q210 PolarHBondContact O-N 2.81Å | ||
| 208 | Q | 32.3 | Very low | 53.1 | Low | 182 Ų | 182 | 104.4 Ų | 104.4 | 85% | 0.85 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | 111 | 168.9 | -79.5 | -179.1 | -27.4 | 0 | 0 | 108.4 | E206 | E206-Q208 VanDerWaalsContact C-N 3.28Å; E206-Q208 PolarHBondContact O-N 2.67Å |
| 209 | G | 43.4 | Very low | 56.3 | Low | 79 Ų | 79 | 98.3 Ų | 98.3 | 81% | 0.814 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.4 | 15.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | P207 R211 | P207-G209 PolarHBondContact O-N 3.26Å; G209-R211 PolarHBondContact O-N 2.68Å |
| 210 | Q | 53.8 | Low | 59.5 | Low | 67 Ų | 67 | 91.4 Ų | 91.4 | 31% | 0.313 | 49% | 0.485 | S | S | . | . | trans | -69.4 | 104.7 | 172.3 | -129.1 | 179.9 | -7.1 | 0 | 0 | 110.4 | P207 Y212 C557 | P207-Q210 HydrophobicContact CB-CB 4.35Å; P207-Q210 HydrophobicContact CG-CB 4.23Å; P207-Q210 VanDerWaalsContact CG-OE1 3.26Å; P207-Q210 PolarHBondContact O-N 2.81Å; Q210-Y212 PolarHBondContact O-N 2.97Å; Q210-C557 PolarHBondContact NE2-O 2.76Å | ||
| 211 | R | 68.9 | Low | 62.8 | Low | 243 Ų | 243 | 88.4 Ų | 88.4 | 92% | 0.917 | 47% | 0.474 | S | S | * | . | trans | -73.5 | 103.7 | 169 | -123.1 | -179.1 | -177.7 | 171.7 | 0.7 | 107.3 | G209 | G209-R211 PolarHBondContact O-N 2.68Š| ||
| 212 | Y | 84 | Confident | 65.9 | Low | 83 Ų | 83 | 87 Ų | 87 | 33% | 0.325 | 46% | 0.459 | S | S | . | . | trans | -56.5 | 139.5 | 172.8 | -64.6 | -63.2 | 0 | 0 | 0 | 110.5 | Q210 E216 L220 H559 | Q210-Y212 PolarHBondContact O-N 2.97Å; Y212-E216 HydrophobicContact CD1-CB 4.26Å; Y212-L220 HydrophobicContact CD1-CD1 4.3Å; Y212-L220 HydrophobicContact CD2-CD1 4.47Å; Y212-L220 HydrophobicContact CE1-CD1 4.09Å; Y212-L220 HydrophobicContact CE2-CD1 4.28Å; Y212-L220 HydrophobicContact CG-CD1 4.48Å; Y212-H559 AromaticContact CE1-CD2 3.67Å; Y212-H559 AromaticContact CE1-NE2 3.59Å | ||
| 213 | T | 87.8 | Confident | 69 | Low | 74 Ų | 74 | 81.6 Ų | 81.6 | 45% | 0.454 | 43% | 0.426 | S | S | . | . | trans | -67.4 | 161.7 | 169.9 | 61.8 | 0 | 0 | 0 | 0 | 110.7 | E215 E216 I217 | T213-E215 PolarHBondContact O-N 3.33Å; T213-E216 WeakPolarHBondContact CB-OE2 3.47Å; T213-E216 WeakPolarHBondContact CG2-OE2 3.32Å; T213-E216 PolarHBondContact N-OE2 2.77Å; T213-E216 PolarHBondContact O-N 3.44Å; T213-E216 VanDerWaalsContact OG1-CG 3.22Å; T213-E216 WeakPolarHBondContact OG1-CG 2.97Å; T213-E216 PolarHBondContact OG1-N 2.72Å; T213-E216 PolarHBondContact OG1-OE2 3.1Å; T213-I217 WeakPolarHBondContact O-CG1 3.41Å; T213-I217 PolarHBondContact O-N 3.21Å | ||
| 214 | S | 87.6 | Confident | 72.1 | Confident | 108 Ų | 108 | 75.6 Ų | 75.6 | 76% | 0.755 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.5 | -34.4 | 176.7 | -55.1 | 0 | 0 | 0 | 0 | 112.8 | E218 | S214-E218 PolarHBondContact O-N 2.74Å; S214-E218 VanDerWaalsContact O-N 3.14Å |
| 215 | E | 87.2 | Confident | 75.1 | Confident | 79 Ų | 79 | 76.2 Ų | 76.2 | 37% | 0.369 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 174.6 | -173.7 | 179.4 | -177.7 | 0 | 0 | 110.8 | T213 I217 E218 V219 K693 | T213-E215 PolarHBondContact O-N 3.33Å; E215-I217 VanDerWaalsContact C-N 3.35Å; E215-I217 PolarHBondContact O-N 2.88Å; E215-E218 PolarHBondContact O-N 3.47Å; E215-V219 WeakPolarHBondContact O-CG2 3.15Å; E215-V219 PolarHBondContact O-N 2.75Å; E215-K693 IonicContact OE1-NZ 2.63Å; E215-K693 PolarHBondContact OE1-NZ 3.18Å; E215-K693 IonicContact OE2-NZ 2.64Å; E215-K693 PolarHBondContact OE2-NZ 3.4Å |
| 216 | E | 90.6 | Very high | 77.9 | Confident | 14 Ų | 14 | 73.5 Ų | 73.5 | 7% | 0.065 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 178.4 | -73.4 | 173.4 | 118.4 | 0 | 0 | 112.7 | Y212 T213 E218 V219 L220 I558 H559 | Y212-E216 HydrophobicContact CD1-CB 4.26Å; T213-E216 WeakPolarHBondContact CB-OE2 3.47Å; T213-E216 WeakPolarHBondContact CG2-OE2 3.32Å; T213-E216 PolarHBondContact N-OE2 2.77Å; T213-E216 PolarHBondContact O-N 3.44Å; T213-E216 VanDerWaalsContact OG1-CG 3.22Å; T213-E216 WeakPolarHBondContact OG1-CG 2.97Å; T213-E216 PolarHBondContact OG1-N 2.72Å; T213-E216 PolarHBondContact OG1-OE2 3.1Å; E216-E218 VanDerWaalsContact C-N 3.3Å; E216-E218 PolarHBondContact O-N 3.01Å; E216-V219 PolarHBondContact O-N 3.39Å; E216-L220 WeakPolarHBondContact O-CB 3.35Å; E216-L220 WeakPolarHBondContact O-CG 3.03Å; E216-L220 PolarHBondContact O-N 3.02Å; E216-I558 WeakPolarHBondContact OE1-CA 3.43Å; E216-H559 HydrophobicContact CB-CB 4.16Å; E216-H559 HydrophobicContact CG-CB 3.95Å; E216-H559 WeakPolarHBondContact CG-O 3.23Å; E216-H559 IonicContact OE1-CD2 3.49Å; E216-H559 PolarHBondContact OE1-N 2.98Å |
| 217 | I | 90.8 | Very high | 80.1 | Confident | 69 Ų | 69 | 70.9 Ų | 70.9 | 35% | 0.354 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 176.5 | -67.8 | 169.4 | 0 | 0 | 0 | 110.3 | T213 E215 L220 R221 | T213-I217 WeakPolarHBondContact O-CG1 3.41Å; T213-I217 PolarHBondContact O-N 3.21Å; E215-I217 VanDerWaalsContact C-N 3.35Å; E215-I217 PolarHBondContact O-N 2.88Å; I217-L220 PolarHBondContact O-N 2.82Å; I217-R221 WeakPolarHBondContact O-CB 3.49Å; I217-R221 PolarHBondContact O-N 3.38Å |
| 218 | E | 90.6 | Very high | 82.5 | Confident | 95 Ų | 95 | 71.6 Ų | 71.6 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 178.8 | -173.8 | 55.4 | -146.6 | 0 | 0 | 112 | S214 E215 E216 R221 S222 | S214-E218 PolarHBondContact O-N 2.74Å; S214-E218 VanDerWaalsContact O-N 3.14Å; E215-E218 PolarHBondContact O-N 3.47Å; E216-E218 VanDerWaalsContact C-N 3.3Å; E216-E218 PolarHBondContact O-N 3.01Å; E218-R221 PolarHBondContact O-N 3.29Å; E218-R221 IonicContact OE2-CZ 3.79Å; E218-R221 IonicContact OE2-NH1 3.75Å; E218-R221 PolarHBondContact OE2-NH1 2.93Å; E218-S222 WeakPolarHBondContact O-CB 3.43Å; E218-S222 PolarHBondContact O-N 2.78Å; E218-S222 PolarHBondContact O-OG 3.45Å |
| 219 | V | 91.4 | Very high | 85.3 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 174.5 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | E215 E216 R221 S222 T223 H559 A561 N678 | E215-V219 WeakPolarHBondContact O-CG2 3.15Å; E215-V219 PolarHBondContact O-N 2.75Å; E216-V219 PolarHBondContact O-N 3.39Å; V219-R221 VanDerWaalsContact C-N 3.33Å; V219-R221 PolarHBondContact O-N 2.9Å; V219-S222 PolarHBondContact O-N 3.31Å; V219-S222 PolarHBondContact O-OG 2.91Å; V219-T223 WeakPolarHBondContact O-CG2 3.48Å; V219-T223 PolarHBondContact O-N 3.29Å; V219-T223 PolarHBondContact O-OG1 3.12Å; V219-T223 VanDerWaalsContact O-OG1 3.04Å; V219-H559 HydrophobicContact CG1-CB 4.36Å; V219-A561 HydrophobicContact CG2-CB 4.03Å; V219-N678 HydrophobicContact CG1-CB 4.22Å |
| 220 | L | 92.2 | Very high | 87.7 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 180 | -72.6 | 175.9 | 0 | 0 | 0 | 112.3 | Y212 E216 I217 S224 V349 H559 | Y212-L220 HydrophobicContact CD1-CD1 4.3Å; Y212-L220 HydrophobicContact CD2-CD1 4.47Å; Y212-L220 HydrophobicContact CE1-CD1 4.09Å; Y212-L220 HydrophobicContact CE2-CD1 4.28Å; Y212-L220 HydrophobicContact CG-CD1 4.48Å; E216-L220 WeakPolarHBondContact O-CB 3.35Å; E216-L220 WeakPolarHBondContact O-CG 3.03Å; E216-L220 PolarHBondContact O-N 3.02Å; I217-L220 PolarHBondContact O-N 2.82Å; L220-S224 WeakPolarHBondContact O-CB 3.37Å; L220-S224 PolarHBondContact O-N 3.29Å; L220-S224 PolarHBondContact O-OG 3.04Å; L220-V349 HydrophobicContact CD1-CG1 4.37Å; L220-V349 HydrophobicContact CD2-CG1 3.97Å; L220-V349 HydrophobicContact CD2-CG2 4Å; L220-H559 HydrophobicContact CG-CB 4.33Å |
| 221 | R | 90.9 | Very high | 89.6 | Confident | 146 Ų | 146 | 61.6 Ų | 61.6 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.4 | -52.3 | 176.3 | 179.8 | -172.6 | -64.4 | 137 | -1.6 | 111.1 | I217 E218 V219 T223 S224 | I217-R221 WeakPolarHBondContact O-CB 3.49Å; I217-R221 PolarHBondContact O-N 3.38Å; E218-R221 PolarHBondContact O-N 3.29Å; E218-R221 IonicContact OE2-CZ 3.79Å; E218-R221 IonicContact OE2-NH1 3.75Å; E218-R221 PolarHBondContact OE2-NH1 2.93Å; V219-R221 VanDerWaalsContact C-N 3.33Å; V219-R221 PolarHBondContact O-N 2.9Å; R221-T223 VanDerWaalsContact C-N 3.32Å; R221-T223 PolarHBondContact O-N 2.78Å; R221-S224 VanDerWaalsContact O-CB 3.32Å; R221-S224 WeakPolarHBondContact O-CB 3.48Å; R221-S224 PolarHBondContact O-N 3.21Å; R221-S224 VanDerWaalsContact O-N 3.13Å |
| 222 | S | 89.6 | Confident | 90.6 | Very high | 57 Ų | 57 | 53 Ų | 53 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 179.8 | 57 | 0 | 0 | 0 | 0 | 111.8 | E218 V219 S224 | E218-S222 WeakPolarHBondContact O-CB 3.43Å; E218-S222 PolarHBondContact O-N 2.78Å; E218-S222 PolarHBondContact O-OG 3.45Å; V219-S222 PolarHBondContact O-N 3.31Å; V219-S222 PolarHBondContact O-OG 2.91Å; S222-S224 VanDerWaalsContact C-N 3.29Å; S222-S224 PolarHBondContact O-N 2.96Å |
| 223 | T | 92 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 9.5 | 177.2 | 71.4 | 0 | 0 | 0 | 0 | 114.9 | V219 R221 T225 N347 H604 T606 N678 | V219-T223 WeakPolarHBondContact O-CG2 3.48Å; V219-T223 PolarHBondContact O-N 3.29Å; V219-T223 PolarHBondContact O-OG1 3.12Å; V219-T223 VanDerWaalsContact O-OG1 3.04Å; R221-T223 VanDerWaalsContact C-N 3.32Å; R221-T223 PolarHBondContact O-N 2.78Å; T223-T225 VanDerWaalsContact C-N 3.34Å; T223-N347 PolarHBondContact O-ND2 3.42Å; T223-N347 VanDerWaalsContact O-ND2 3.12Å; T223-H604 HydrophobicContact CG2-CB 3.76Å; T223-H604 WeakPolarHBondContact CG2-ND1 3.49Å; T223-H604 PolarHBondContact OG1-ND1 3.13Å; T223-T606 HydrophobicContact CG2-CG2 4.16Å; T223-N678 HydrophobicContact CG2-CB 3.54Å; T223-N678 WeakPolarHBondContact CG2-ND2 3.44Å |
| 224 | S | 93.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 48 Ų | 48 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -23.4 | 169.4 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | L220 R221 S222 I226 A230 Y231 R351 | L220-S224 WeakPolarHBondContact O-CB 3.37Å; L220-S224 PolarHBondContact O-N 3.29Å; L220-S224 PolarHBondContact O-OG 3.04Å; R221-S224 VanDerWaalsContact O-CB 3.32Å; R221-S224 WeakPolarHBondContact O-CB 3.48Å; R221-S224 PolarHBondContact O-N 3.21Å; R221-S224 VanDerWaalsContact O-N 3.13Å; S222-S224 VanDerWaalsContact C-N 3.29Å; S222-S224 PolarHBondContact O-N 2.96Å; S224-I226 PolarHBondContact O-N 3.1Å; S224-A230 CarbonylContact O-C 3.56Å; S224-A230 WeakPolarHBondContact O-CA 3.29Å; S224-Y231 PolarHBondContact O-N 3.45Å; S224-R351 PolarHBondContact OG-NH1 2.92Å |
| 225 | T | 93.6 | Very high | 91 | Very high | 68 Ų | 68 | 48 Ų | 48 | 42% | 0.417 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 108.5 | 176.6 | -52.9 | 0 | 0 | 0 | 0 | 108.8 | T223 I229 | T223-T225 VanDerWaalsContact C-N 3.34Å; T225-I229 CarbonylContact C-O 3.59Å; T225-I229 WeakPolarHBondContact CA-O 3.27Å |
| 226 | I | 92.7 | Very high | 90.9 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.3 | 179.5 | -51.6 | 175.5 | 0 | 0 | 0 | 107.1 | S224 G228 I229 Y231 I346 V390 T606 | S224-I226 PolarHBondContact O-N 3.1Å; I226-G228 PolarHBondContact O-N 2.87Å; I226-I229 PolarHBondContact N-O 2.88Å; I226-I229 PolarHBondContact O-N 3.34Å; I226-Y231 HydrophobicContact CB-CD2 3.85Å; I226-Y231 HydrophobicContact CB-CE2 3.92Å; I226-Y231 HydrophobicContact CD1-CD2 4.06Å; I226-Y231 HydrophobicContact CG1-CD2 4.08Å; I226-I346 HydrophobicContact CD1-CG2 3.61Å; I226-V390 HydrophobicContact CD1-CG1 4.14Å; I226-V390 HydrophobicContact CG2-CG1 4.47Å; I226-V390 WeakPolarHBondContact CG2-O 3.42Å; I226-T606 CarbonylContact C-O 3.6Å; I226-T606 WeakPolarHBondContact CA-O 3.31Å |
| 227 | N | 90.9 | Very high | 90.6 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 24% | 0.235 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 35.7 | -176.1 | -62.6 | -50.7 | 0 | 0 | 0 | 113.1 | I229 V390 G392 T606 K608 | N227-I229 VanDerWaalsContact C-N 3.25Å; N227-I229 PolarHBondContact O-N 3.19Å; N227-V390 PolarHBondContact ND2-O 3.43Å; N227-G392 WeakPolarHBondContact ND2-CA 3.39Å; N227-G392 PolarHBondContact ND2-N 2.96Å; N227-T606 PolarHBondContact N-O 2.76Å; N227-K608 WeakPolarHBondContact OD1-CB 3.25Å; N227-K608 PolarHBondContact OD1-N 3.44Å |
| 228 | G | 89.3 | Confident | 90.4 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 71% | 0.711 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 2.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I226 | I226-G228 PolarHBondContact O-N 2.87Š|
| 229 | I | 92 | Very high | 90.1 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.1 | 180 | -57.7 | 168.2 | 0 | 0 | 0 | 109.5 | T225 I226 N227 Y231 T253 | T225-I229 CarbonylContact C-O 3.59Å; T225-I229 WeakPolarHBondContact CA-O 3.27Å; I226-I229 PolarHBondContact N-O 2.88Å; I226-I229 PolarHBondContact O-N 3.34Å; N227-I229 VanDerWaalsContact C-N 3.25Å; N227-I229 PolarHBondContact O-N 3.19Å; I229-Y231 HydrophobicContact CB-CE2 3.76Å; I229-Y231 HydrophobicContact CG2-CE1 3.86Å; I229-Y231 HydrophobicContact CG2-CE2 3.84Å; I229-Y231 VanDerWaalsContact CG2-CZ 3.46Å; I229-Y231 WeakPolarHBondContact CG2-OH 3.32Å; I229-Y231 WeakPolarHBondContact O-CD2 3.38Å; I229-Y231 WeakPolarHBondContact O-CE2 3.39Å; I229-T253 HydrophobicContact CD1-CG2 3.87Å; I229-T253 HydrophobicContact CG1-CG2 3.94Å; I229-T253 HydrophobicContact CG2-CG2 4.03Å |
| 230 | A | 93.2 | Very high | 89.7 | Confident | 70 Ų | 70 | 58 Ų | 58 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 118 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S224 | S224-A230 CarbonylContact O-C 3.56Å; S224-A230 WeakPolarHBondContact O-CA 3.29Å |
| 231 | Y | 94.1 | Very high | 89.5 | Confident | 6 Ų | 6 | 60 Ų | 60 | 2% | 0.024 | 34% | 0.344 | C | S | . | . | trans | -113.7 | 94.6 | 171.1 | -56.3 | -75.5 | 0 | 0 | 0 | 108.8 | S224 I226 I229 R351 V353 K389 V390 | S224-Y231 PolarHBondContact O-N 3.45Å; I226-Y231 HydrophobicContact CB-CD2 3.85Å; I226-Y231 HydrophobicContact CB-CE2 3.92Å; I226-Y231 HydrophobicContact CD1-CD2 4.06Å; I226-Y231 HydrophobicContact CG1-CD2 4.08Å; I229-Y231 HydrophobicContact CB-CE2 3.76Å; I229-Y231 HydrophobicContact CG2-CE1 3.86Å; I229-Y231 HydrophobicContact CG2-CE2 3.84Å; I229-Y231 VanDerWaalsContact CG2-CZ 3.46Å; I229-Y231 WeakPolarHBondContact CG2-OH 3.32Å; I229-Y231 WeakPolarHBondContact O-CD2 3.38Å; I229-Y231 WeakPolarHBondContact O-CE2 3.39Å; Y231-R351 WeakPolarHBondContact O-CD 3.42Å; Y231-R351 PolarHBondContact O-NH1 3.03Å; Y231-V353 HydrophobicContact CD1-CG1 4.45Å; Y231-V353 HydrophobicContact CD1-CG2 4.03Å; Y231-V353 HydrophobicContact CE1-CG1 4.07Å; Y231-V353 HydrophobicContact CE1-CG2 4.38Å; Y231-K389 WeakPolarHBondContact OH-CG 3.31Å; Y231-K389 PolarHBondContact OH-O 2.79Å; Y231-V390 HydrophobicContact CD1-CG2 4.16Å; Y231-V390 HydrophobicContact CE1-CG2 3.89Å; Y231-V390 HydrophobicContact CE2-CG2 4.29Å; Y231-V390 HydrophobicContact CG-CG2 4.47Å | ||
| 232 | V | 89.1 | Confident | 89.3 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 39% | 0.388 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 154.6 | -177.3 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | F234 R351 K352 | V232-F234 PolarHBondContact O-N 2.77Å; V232-R351 WeakPolarHBondContact O-CA 3.01Å; V232-K352 HydrophobicContact CG2-CD 4.32Å; V232-K352 HydrophobicContact CG2-CG 4.14Å; V232-K352 PolarHBondContact O-N 2.86Å |
| 233 | P | 91.2 | Very high | 89.3 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 16% | 0.156 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -52.8 | 137.8 | 170.7 | -25.5 | 35.2 | 0 | 0 | 0 | 111.3 | M235 V349 P350 | P233-M235 PolarHBondContact O-N 3.34Å; P233-V349 HydrophobicContact CB-CG2 4.39Å; P233-V349 HydrophobicContact CG-CG2 4.34Å; P233-P350 CarbonylContact C-O 3.51Å; P233-P350 WeakPolarHBondContact CA-O 3.29Å |
| 234 | F | 90.4 | Very high | 89.1 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 126.4 | 177 | -171.7 | -85.2 | 0 | 0 | 0 | 109.5 | V232 D238 L239 M341 K343 P350 K352 | V232-F234 PolarHBondContact O-N 2.77Å; F234-D238 HydrophobicContact CD2-CB 4.23Å; F234-D238 HydrophobicContact CE2-CB 3.94Å; F234-D238 HydrophobicContact CZ-CB 4.21Å; F234-L239 HydrophobicContact CE1-CD2 4.24Å; F234-L239 HydrophobicContact CE1-CG 4.45Å; F234-L239 HydrophobicContact CZ-CD2 3.87Å; F234-L239 HydrophobicContact CZ-CG 4.33Å; F234-M341 HydrophobicContact CE2-CE 3.68Å; F234-M341 HydrophobicContact CE2-SD 4.04Å; F234-M341 HydrophobicContact CZ-CE 4.32Å; F234-K343 HydrophobicContact CB-CD 4.49Å; F234-K343 HydrophobicContact CB-CG 4.46Å; F234-K343 HydrophobicContact CD1-CD 3.98Å; F234-K343 HydrophobicContact CD2-CB 4.42Å; F234-K343 HydrophobicContact CD2-CD 4.09Å; F234-K343 HydrophobicContact CD2-CG 4.07Å; F234-K343 HydrophobicContact CE1-CD 4.22Å; F234-K343 HydrophobicContact CE2-CD 4.32Å; F234-K343 HydrophobicContact CG-CD 3.92Å; F234-K343 HydrophobicContact CG-CG 4.17Å; F234-K343 HydrophobicContact CZ-CD 4.39Å; F234-P350 HydrophobicContact CB-CB 4.13Å; F234-P350 HydrophobicContact CB-CG 4.43Å; F234-P350 PolarHBondContact N-O 2.64Å; F234-K352 HydrophobicContact CD2-CB 4.01Å |
| 235 | M | 87.2 | Confident | 88.7 | Confident | 109 Ų | 109 | 55.8 Ų | 55.8 | 54% | 0.537 | 32% | 0.32 | S | S | . | . | trans | -124.1 | 163.1 | -179.7 | -65.3 | -171.1 | -174.8 | 0 | 0 | 110.7 | P233 V237 D238 | P233-M235 PolarHBondContact O-N 3.34Å; M235-V237 HydrophobicContact CB-CG1 4.02Å; M235-V237 PolarHBondContact O-N 3Å; M235-V237 VanDerWaalsContact O-N 3.13Å; M235-D238 PolarHBondContact N-OD2 3.15Å; M235-D238 VanDerWaalsContact O-CB 3.3Å; M235-D238 WeakPolarHBondContact O-CB 3.39Å; M235-D238 PolarHBondContact O-N 2.77Å | ||
| 236 | S | 83.4 | Confident | 87.9 | Confident | 102 Ų | 102 | 54.5 Ų | 54.5 | 71% | 0.713 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -59.7 | -25.6 | 178.9 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | D238 L239 | S236-D238 PolarHBondContact O-N 3.45Å; S236-L239 WeakPolarHBondContact O-CB 3.36Å; S236-L239 PolarHBondContact O-N 3.29Å |
| 237 | V | 84.3 | Confident | 87.6 | Confident | 93 Ų | 93 | 59.1 Ų | 59.1 | 56% | 0.564 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -64 | -28.4 | 173.5 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | M235 L239 K240 | M235-V237 HydrophobicContact CB-CG1 4.02Å; M235-V237 PolarHBondContact O-N 3Å; M235-V237 VanDerWaalsContact O-N 3.13Å; V237-L239 PolarHBondContact O-N 2.93Å; V237-K240 WeakPolarHBondContact O-CB 3.45Å; V237-K240 PolarHBondContact O-N 3.45Å |
| 238 | D | 86.6 | Confident | 87.5 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.064 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -71.3 | -16.1 | 179.9 | -59.5 | -49.3 | 0 | 0 | 0 | 112.5 | F234 M235 S236 K240 E241 K352 | F234-D238 HydrophobicContact CD2-CB 4.23Å; F234-D238 HydrophobicContact CE2-CB 3.94Å; F234-D238 HydrophobicContact CZ-CB 4.21Å; M235-D238 PolarHBondContact N-OD2 3.15Å; M235-D238 VanDerWaalsContact O-CB 3.3Å; M235-D238 WeakPolarHBondContact O-CB 3.39Å; M235-D238 PolarHBondContact O-N 2.77Å; S236-D238 PolarHBondContact O-N 3.45Å; D238-K240 PolarHBondContact O-N 2.87Å; D238-E241 WeakPolarHBondContact O-CB 3.39Å; D238-E241 PolarHBondContact O-N 3.16Å; D238-E241 VanDerWaalsContact O-N 3.1Å; D238-K352 HydrophobicContact CB-CD 4.25Å; D238-K352 WeakPolarHBondContact OD1-CD 3.46Å; D238-K352 WeakPolarHBondContact OD1-CE 3.39Å; D238-K352 IonicContact OD1-NZ 2.61Å; D238-K352 PolarHBondContact OD1-NZ 2.94Å |
| 239 | L | 85 | Confident | 87.7 | Confident | 108 Ų | 108 | 57.3 Ų | 57.3 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -67.3 | -13.8 | 169.6 | -62.5 | 172 | 0 | 0 | 0 | 112.5 | F234 S236 V237 Y324 | F234-L239 HydrophobicContact CE1-CD2 4.24Å; F234-L239 HydrophobicContact CE1-CG 4.45Å; F234-L239 HydrophobicContact CZ-CD2 3.87Å; F234-L239 HydrophobicContact CZ-CG 4.33Å; S236-L239 WeakPolarHBondContact O-CB 3.36Å; S236-L239 PolarHBondContact O-N 3.29Å; V237-L239 PolarHBondContact O-N 2.93Å; L239-Y324 HydrophobicContact CD2-CE1 3.87Å |
| 240 | K | 82.5 | Confident | 87.7 | Confident | 158 Ų | 158 | 58.4 Ų | 58.4 | 69% | 0.687 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -99.6 | 13.4 | 173.6 | -55 | -176 | 176.4 | -170.7 | 0 | 112.5 | V237 D238 R242 | V237-K240 WeakPolarHBondContact O-CB 3.45Å; V237-K240 PolarHBondContact O-N 3.45Å; D238-K240 PolarHBondContact O-N 2.87Å; K240-R242 PolarHBondContact O-N 3.13Å |
| 241 | E | 88.7 | Confident | 87.6 | Confident | 47 Ų | 47 | 56 Ų | 56 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | trans | -59.8 | 130.3 | 177.2 | -176.7 | 73 | -136.7 | 0 | 0 | 110.1 | D238 F243 K339 K352 | D238-E241 WeakPolarHBondContact O-CB 3.39Å; D238-E241 PolarHBondContact O-N 3.16Å; D238-E241 VanDerWaalsContact O-N 3.1Å; E241-F243 HydrophobicContact CB-CE2 3.98Å; E241-F243 HydrophobicContact CB-CZ 4.05Å; E241-F243 HydrophobicContact CG-CE1 4.4Å; E241-F243 HydrophobicContact CG-CE2 4.24Å; E241-F243 HydrophobicContact CG-CZ 3.94Å; E241-F243 WeakPolarHBondContact O-CD2 3.49Å; E241-F243 WeakPolarHBondContact O-CE2 3.38Å; E241-K339 IonicContact OE1-NZ 2.92Å; E241-K339 PolarHBondContact OE1-NZ 2.89Å; E241-K352 IonicContact OE2-NZ 3.61Å; E241-K352 PolarHBondContact OE2-NZ 3.35Å; E241-K352 VanDerWaalsContact OE2-NZ 3.11Å | ||
| 242 | R | 87.4 | Confident | 87.4 | Confident | 56 Ų | 56 | 65.4 Ų | 65.4 | 21% | 0.211 | 35% | 0.346 | C | S | . | . | trans | -77.5 | 127.4 | -179.8 | -177.4 | 176.5 | 178 | 163.1 | -5.2 | 111.3 | E108 E111 K240 A244 F245 K339 | E108-R242 WeakPolarHBondContact OE1-CD 3.42Å; E108-R242 IonicContact OE1-CZ 2.89Å; E108-R242 IonicContact OE1-NE 3.63Å; E108-R242 PolarHBondContact OE1-NE 2.81Å; E108-R242 IonicContact OE1-NH1 3.68Å; E108-R242 PolarHBondContact OE1-NH1 3.43Å; E108-R242 IonicContact OE2-NH1 3.53Å; E111-R242 IonicContact OE1-CZ 3.47Å; E111-R242 VanDerWaalsContact OE1-CZ 3.27Å; E111-R242 IonicContact OE1-NH1 3.77Å; E111-R242 PolarHBondContact OE1-NH1 2.88Å; E111-R242 IonicContact OE1-NH2 2.69Å; E111-R242 PolarHBondContact OE1-NH2 3.48Å; E111-R242 IonicContact OE2-NH1 3.86Å; K240-R242 PolarHBondContact O-N 3.13Å; R242-A244 PolarHBondContact NE-O 3.34Å; R242-A244 VanDerWaalsContact NE-O 3.16Å; R242-F245 HydrophobicContact CB-CZ 4.31Å; R242-F245 HydrophobicContact CG-CE1 4.37Å; R242-F245 HydrophobicContact CG-CE2 4.47Å; R242-F245 HydrophobicContact CG-CZ 3.99Å; R242-F245 WeakPolarHBondContact O-CE2 3.48Å; R242-K339 WeakPolarHBondContact O-CD 3.14Å; R242-K339 PolarHBondContact O-NZ 3.31Å | ||
| 243 | F | 88.9 | Confident | 87.3 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 6% | 0.057 | 35% | 0.346 | C | S | . | . | trans | -110 | -17.1 | 178.6 | -67.8 | -77.5 | 0 | 0 | 0 | 114.2 | F92 E241 F245 P325 N335 C337 K339 M341 | F92-F243 HydrophobicContact CE1-CB 4.4Å; F92-F243 HydrophobicContact CZ-CB 4.46Å; E241-F243 HydrophobicContact CB-CE2 3.98Å; E241-F243 HydrophobicContact CB-CZ 4.05Å; E241-F243 HydrophobicContact CG-CE1 4.4Å; E241-F243 HydrophobicContact CG-CE2 4.24Å; E241-F243 HydrophobicContact CG-CZ 3.94Å; E241-F243 WeakPolarHBondContact O-CD2 3.49Å; E241-F243 WeakPolarHBondContact O-CE2 3.38Å; F243-F245 WeakPolarHBondContact O-CD2 3.47Å; F243-P325 HydrophobicContact CB-CB 4.19Å; F243-P325 HydrophobicContact CB-CG 4.21Å; F243-P325 HydrophobicContact CD1-CB 4.39Å; F243-P325 HydrophobicContact CD1-CG 4.36Å; F243-P325 HydrophobicContact CD2-CB 3.75Å; F243-P325 HydrophobicContact CE2-CB 4.25Å; F243-P325 HydrophobicContact CG-CB 3.84Å; F243-P325 HydrophobicContact CG-CG 4.1Å; F243-N335 PolarHBondContact O-ND2 2.86Å; F243-C337 WeakPolarHBondContact O-CB 3.35Å; F243-K339 HydrophobicContact CD1-CB 4.36Å; F243-K339 HydrophobicContact CD1-CD 4.27Å; F243-K339 HydrophobicContact CD1-CG 4.13Å; F243-K339 WeakPolarHBondContact CD1-O 3.25Å; F243-M341 HydrophobicContact CE1-CB 3.85Å; F243-M341 HydrophobicContact CZ-CB 3.82Å; F243-M341 HydrophobicContact CZ-CE 4.13Å | ||
| 244 | A | 86.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | trans | -95.3 | 126.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F92 L93 Q96 L112 R242 | F92-A244 HydrophobicContact CD1-CB 3.79Å; F92-A244 HydrophobicContact CE1-CB 3.75Å; L93-A244 HydrophobicContact CD2-CB 3.61Å; L93-A244 HydrophobicContact CG-CB 4.22Å; Q96-A244 HydrophobicContact CB-CB 4.06Å; Q96-A244 HydrophobicContact CG-CB 4.05Å; L112-A244 HydrophobicContact CD2-CB 4.04Å; R242-A244 PolarHBondContact NE-O 3.34Å; R242-A244 VanDerWaalsContact NE-O 3.16Å | ||
| 245 | F | 86.3 | Confident | 87.3 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 23% | 0.228 | 37% | 0.368 | C | S | . | . | trans | -142.3 | 148.5 | 179.7 | -60.5 | -83.1 | 0 | 0 | 0 | 110.4 | R89 R242 F243 V247 C337 K339 | R89-F245 WeakPolarHBondContact CD-O 3.3Å; R242-F245 HydrophobicContact CB-CZ 4.31Å; R242-F245 HydrophobicContact CG-CE1 4.37Å; R242-F245 HydrophobicContact CG-CE2 4.47Å; R242-F245 HydrophobicContact CG-CZ 3.99Å; R242-F245 WeakPolarHBondContact O-CE2 3.48Å; F243-F245 WeakPolarHBondContact O-CD2 3.47Å; F245-V247 VanDerWaalsContact C-N 3.3Å; F245-V247 WeakPolarHBondContact CB-O 3.24Å; F245-V247 PolarHBondContact O-N 2.65Å; F245-C337 HydrophobicContact CB-CB 4.49Å; F245-C337 PolarHBondContact N-SG 2.85Å; F245-C337 VanDerWaalsContact N-SG 3.37Å; F245-C337 PolarHBondContact O-SG 3.36Å; F245-C337 VanDerWaalsContact O-SG 3.33Å; F245-K339 HydrophobicContact CD2-CD 4.48Å; F245-K339 HydrophobicContact CE2-CD 3.56Å; F245-K339 HydrophobicContact CZ-CD 4.23Å | ||
| 246 | P | 76.5 | Confident | 87.6 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -71.2 | -27.9 | 176.7 | 26.7 | -33.7 | 0 | 0 | 0 | 112.5 | R89 Q115 | R89-P246 WeakPolarHBondContact CD-O 3.43Å; R89-P246 PolarHBondContact NH1-O 2.88Å; Q115-P246 VanDerWaalsContact OE1-CD 3.31Å |
| 247 | V | 86.2 | Confident | 88 | Confident | 104 Ų | 104 | 61.7 Ų | 61.7 | 63% | 0.63 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -109.3 | 139 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | F245 F249 | F245-V247 VanDerWaalsContact C-N 3.3Å; F245-V247 WeakPolarHBondContact CB-O 3.24Å; F245-V247 PolarHBondContact O-N 2.65Å; V247-F249 PolarHBondContact O-N 3.14Å |
| 248 | P | 88 | Confident | 88.4 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 25% | 0.253 | 31% | 0.306 | S | S | . | . | trans | -54.9 | 127.6 | 176.6 | -27.4 | 35.9 | 0 | 0 | 0 | 112.7 | R271 C337 | P248-R271 VanDerWaalsContact CB-CZ 3.42Å; P248-C337 CarbonylContact C-O 3.52Å; P248-C337 WeakPolarHBondContact CA-O 3.41Å | ||
| 249 | F | 93.2 | Very high | 88.6 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 16% | 0.158 | 31% | 0.306 | C | S | . | . | trans | -61.6 | 136.7 | 178.7 | 178.6 | -97.8 | 0 | 0 | 0 | 110.5 | V247 R271 C337 K339 I354 D356 | V247-F249 PolarHBondContact O-N 3.14Å; F249-R271 PolarHBondContact O-NH1 3.2Å; F249-R271 PolarHBondContact O-NH2 2.97Å; F249-C337 WeakPolarHBondContact CB-O 3.41Å; F249-C337 PolarHBondContact N-O 2.86Å; F249-K339 HydrophobicContact CB-CB 3.65Å; F249-K339 HydrophobicContact CB-CG 4.38Å; F249-K339 HydrophobicContact CD1-CB 3.75Å; F249-K339 HydrophobicContact CD1-CD 4.47Å; F249-K339 HydrophobicContact CD1-CG 3.74Å; F249-K339 HydrophobicContact CD2-CB 4.24Å; F249-K339 HydrophobicContact CD2-CD 3.89Å; F249-K339 HydrophobicContact CD2-CG 4.06Å; F249-K339 HydrophobicContact CE1-CB 4.48Å; F249-K339 HydrophobicContact CE1-CG 3.98Å; F249-K339 HydrophobicContact CE2-CD 4.04Å; F249-K339 HydrophobicContact CE2-CG 4.27Å; F249-K339 HydrophobicContact CG-CB 3.61Å; F249-K339 HydrophobicContact CG-CD 4.12Å; F249-K339 HydrophobicContact CG-CG 3.79Å; F249-K339 HydrophobicContact CZ-CD 4.4Å; F249-K339 HydrophobicContact CZ-CG 4.24Å; F249-I354 HydrophobicContact CE1-CG2 3.94Å; F249-I354 HydrophobicContact CZ-CG2 3.76Å; F249-D356 HydrophobicContact CD1-CB 3.86Å; F249-D356 HydrophobicContact CE1-CB 4.2Å | ||
| 250 | S | 92.6 | Very high | 88.8 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | trans | -126.2 | 136.4 | 172.7 | -60.3 | 0 | 0 | 0 | 0 | 108.6 | K252 R271 | S250-K252 PolarHBondContact O-N 3.49Å; S250-R271 PolarHBondContact OG-NH2 2.91Å | ||
| 251 | D | 91.6 | Very high | 89.1 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | trans | -68.6 | 129.2 | -176.1 | -160 | -26.1 | 0 | 0 | 0 | 110.5 | T253 G254 D356 K389 | D251-T253 PolarHBondContact O-N 2.97Å; D251-T253 PolarHBondContact OD1-N 3.31Å; D251-T253 PolarHBondContact OD1-OG1 3.4Å; D251-T253 VanDerWaalsContact OD1-OG1 3.1Å; D251-G254 PolarHBondContact O-N 3.3Å; D251-D356 HydrophobicContact CB-CB 4.09Å; D251-D356 WeakPolarHBondContact CB-OD2 3.48Å; D251-D356 PolarHBondContact N-OD2 3.09Å; D251-K389 IonicContact OD1-NZ 3.46Å; D251-K389 PolarHBondContact OD1-NZ 2.95Å; D251-K389 IonicContact OD2-NZ 3.22Å; D251-K389 PolarHBondContact OD2-NZ 3.47Å | ||
| 252 | K | 89.4 | Confident | 89.2 | Confident | 205 Ų | 205 | 55.7 Ų | 55.7 | 89% | 0.891 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.4 | -178.2 | -63.5 | -176.1 | -177.9 | -179.7 | 0 | 112.2 | S250 G254 | S250-K252 PolarHBondContact O-N 3.49Å; K252-G254 PolarHBondContact O-N 2.88Å |
| 253 | T | 87.4 | Confident | 89.4 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.3 | 178.4 | 61.3 | 0 | 0 | 0 | 0 | 113 | I229 D251 K389 | I229-T253 HydrophobicContact CD1-CG2 3.87Å; I229-T253 HydrophobicContact CG1-CG2 3.94Å; I229-T253 HydrophobicContact CG2-CG2 4.03Å; D251-T253 PolarHBondContact O-N 2.97Å; D251-T253 PolarHBondContact OD1-N 3.31Å; D251-T253 PolarHBondContact OD1-OG1 3.4Å; D251-T253 VanDerWaalsContact OD1-OG1 3.1Å; T253-K389 WeakPolarHBondContact OG1-CE 3.41Å; T253-K389 PolarHBondContact OG1-NZ 3.37Å |
| 254 | G | 89.5 | Confident | 89.5 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | trans | 79.2 | -165.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D251 K252 | D251-G254 PolarHBondContact O-N 3.3Å; K252-G254 PolarHBondContact O-N 2.88Å | ||
| 255 | K | 92.6 | Very high | 89.8 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -80.4 | 143.3 | -177.8 | -56.6 | -54.6 | 175.5 | -155.1 | 0 | 111.3 | W269 D356 Y358 | K255-W269 HydrophobicContact CB-CD2 4.33Å; K255-W269 HydrophobicContact CB-CH2 4.47Å; K255-W269 HydrophobicContact CB-CZ2 3.84Å; K255-W269 HydrophobicContact CD-CD2 3.89Å; K255-W269 HydrophobicContact CD-CE3 4.18Å; K255-W269 HydrophobicContact CD-CG 4.04Å; K255-W269 HydrophobicContact CG-CD2 4.17Å; K255-W269 HydrophobicContact CG-CG 4.2Å; K255-D356 IonicContact NZ-OD1 2.77Å; K255-D356 IonicContact NZ-OD2 3.79Å; K255-D356 PolarHBondContact NZ-OD2 3.48Å; K255-Y358 VanDerWaalsContact NZ-CB 3.33Å; K255-Y358 VanDerWaalsContact NZ-CE2 3.27Å |
| 256 | L | 92.7 | Very high | 90.2 | Very high | 20 Ų | 20 | 65.7 Ų | 65.7 | 11% | 0.105 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 143.6 | 179.3 | -60 | -176.2 | 0 | 0 | 0 | 111.2 | L258 W269 K385 M388 K389 Y394 | L256-L258 PolarHBondContact O-N 2.99Å; L256-W269 HydrophobicContact CB-CH2 4.28Å; L256-W269 WeakPolarHBondContact O-CZ2 3.33Å; L256-K385 HydrophobicContact CD1-CG 3.84Å; L256-M388 HydrophobicContact CD1-CB 4.09Å; L256-K389 HydrophobicContact CD1-CB 4.35Å; L256-K389 HydrophobicContact CD2-CB 3.87Å; L256-K389 HydrophobicContact CD2-CG 3.9Å; L256-Y394 HydrophobicContact CB-CD2 3.82Å; L256-Y394 HydrophobicContact CB-CE2 4.05Å; L256-Y394 HydrophobicContact CD1-CD2 4.05Å; L256-Y394 HydrophobicContact CD1-CE2 3.71Å; L256-Y394 HydrophobicContact CG-CE2 4.42Å |
| 257 | A | 92.2 | Very high | 91.1 | Very high | 44 Ų | 44 | 66.4 Ų | 66.4 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 130 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y394 D395 | A257-Y394 WeakPolarHBondContact O-CA 3.28Å; A257-Y394 WeakPolarHBondContact O-CB 3.49Å; A257-Y394 PolarHBondContact O-N 3.14Å; A257-D395 PolarHBondContact O-N 3.22Å |
| 258 | L | 92.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 147.3 | 177.9 | -63.2 | 178.6 | 0 | 0 | 0 | 111 | L256 Q262 K263 F266 W269 P360 Y394 | L256-L258 PolarHBondContact O-N 2.99Å; L258-Q262 HydrophobicContact CB-CB 4.08Å; L258-Q262 HydrophobicContact CD2-CB 4.49Å; L258-K263 HydrophobicContact CB-CG 3.74Å; L258-K263 WeakPolarHBondContact O-CE 3.31Å; L258-K263 PolarHBondContact O-NZ 2.81Å; L258-F266 HydrophobicContact CD1-CB 3.97Å; L258-F266 HydrophobicContact CD1-CD1 4.21Å; L258-F266 HydrophobicContact CD1-CD2 3.35Å; L258-F266 HydrophobicContact CD1-CE2 3.82Å; L258-F266 HydrophobicContact CD1-CG 3.57Å; L258-F266 HydrophobicContact CD1-CZ 4.43Å; L258-W269 HydrophobicContact CD2-CH2 4.2Å; L258-W269 HydrophobicContact CD2-CZ2 3.89Å; L258-W269 HydrophobicContact CG-CZ2 4.24Å; L258-P360 HydrophobicContact CD2-CB 3.99Å; L258-P360 HydrophobicContact CD2-CG 4.1Å; L258-Y394 HydrophobicContact CD2-CD2 3.94Å |
| 259 | S | 90.2 | Very high | 91.8 | Very high | 10 Ų | 10 | 67.7 Ų | 67.7 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -64 | 157.8 | 172.1 | 79.1 | 0 | 0 | 0 | 0 | 111.2 | K261 Q262 K263 Y394 | S259-K261 PolarHBondContact O-N 2.78Å; S259-Q262 PolarHBondContact O-N 3.43Å; S259-Q262 VanDerWaalsContact O-N 3.13Å; S259-Q262 WeakPolarHBondContact OG-CG 3.4Å; S259-Q262 PolarHBondContact OG-N 2.95Å; S259-Q262 VanDerWaalsContact OG-N 3.17Å; S259-Q262 PolarHBondContact OG-OE1 2.95Å; S259-K263 WeakPolarHBondContact O-CG 3.48Å; S259-K263 PolarHBondContact O-N 2.95Å; S259-Y394 WeakPolarHBondContact CB-O 3.35Å |
| 260 | P | 89.9 | Confident | 91.8 | Very high | 108 Ų | 108 | 66 Ų | 66 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -53.9 | -38.4 | 175.4 | -27.1 | 35.3 | 0 | 0 | 0 | 113.2 | K263 A264 | P260-K263 PolarHBondContact O-N 3.47Å; P260-A264 PolarHBondContact O-N 3.26Å |
| 261 | K | 87.8 | Confident | 91.8 | Very high | 163 Ų | 163 | 63.6 Ų | 63.6 | 71% | 0.709 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 177.7 | -65.3 | -174.7 | 178.2 | -179.6 | 0 | 111.9 | S259 A264 V294 | S259-K261 PolarHBondContact O-N 2.78Å; K261-A264 PolarHBondContact O-N 3.5Å; K261-V294 HydrophobicContact CB-CG1 3.41Å; K261-V294 VanDerWaalsContact CB-CG1 3.41Å; K261-V294 HydrophobicContact CD-CG1 4.41Å |
| 262 | Q | 90.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 176.1 | -72.8 | 170.5 | -39.1 | 0 | 0 | 111.6 | L258 S259 A264 I265 F266 V294 L368 | L258-Q262 HydrophobicContact CB-CB 4.08Å; L258-Q262 HydrophobicContact CD2-CB 4.49Å; S259-Q262 PolarHBondContact O-N 3.43Å; S259-Q262 VanDerWaalsContact O-N 3.13Å; S259-Q262 WeakPolarHBondContact OG-CG 3.4Å; S259-Q262 PolarHBondContact OG-N 2.95Å; S259-Q262 VanDerWaalsContact OG-N 3.17Å; S259-Q262 PolarHBondContact OG-OE1 2.95Å; Q262-A264 PolarHBondContact O-N 3.33Å; Q262-I265 WeakPolarHBondContact O-CG1 3.48Å; Q262-I265 PolarHBondContact O-N 2.92Å; Q262-I265 VanDerWaalsContact O-N 3.15Å; Q262-F266 VanDerWaalsContact O-CB 3.29Å; Q262-F266 WeakPolarHBondContact O-CB 3.11Å; Q262-F266 PolarHBondContact O-N 2.91Å; Q262-V294 HydrophobicContact CG-CB 4.24Å; Q262-V294 HydrophobicContact CG-CG1 4.19Å; Q262-L368 HydrophobicContact CG-CB 4.39Å; Q262-L368 PolarHBondContact NE2-O 3.43Å |
| 263 | K | 92.2 | Very high | 91.6 | Very high | 131 Ų | 131 | 54.8 Ų | 54.8 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -56.9 | -35 | 178.8 | -75.2 | 177 | 176.9 | 164.5 | 0 | 112.9 | L258 S259 P260 I265 | L258-K263 HydrophobicContact CB-CG 3.74Å; L258-K263 WeakPolarHBondContact O-CE 3.31Å; L258-K263 PolarHBondContact O-NZ 2.81Å; S259-K263 WeakPolarHBondContact O-CG 3.48Å; S259-K263 PolarHBondContact O-N 2.95Å; P260-K263 PolarHBondContact O-N 3.47Å; K263-I265 VanDerWaalsContact C-N 3.28Å; K263-I265 PolarHBondContact O-N 3.32Å |
| 264 | A | 91.7 | Very high | 91.5 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 61% | 0.612 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.2 | -31.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P260 K261 Q262 | P260-A264 PolarHBondContact O-N 3.26Å; K261-A264 PolarHBondContact O-N 3.5Å; Q262-A264 PolarHBondContact O-N 3.33Å |
| 265 | I | 92.6 | Very high | 91.2 | Very high | 66 Ų | 66 | 56.8 Ų | 56.8 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -111.7 | -6.7 | -176.2 | 59.1 | 175.7 | 0 | 0 | 0 | 113.5 | Q262 K263 V294 D362 L368 | Q262-I265 WeakPolarHBondContact O-CG1 3.48Å; Q262-I265 PolarHBondContact O-N 2.92Å; Q262-I265 VanDerWaalsContact O-N 3.15Å; K263-I265 VanDerWaalsContact C-N 3.28Å; K263-I265 PolarHBondContact O-N 3.32Å; I265-V294 HydrophobicContact CD1-CG2 3.81Å; I265-D362 VanDerWaalsContact O-CA 3.32Å; I265-D362 WeakPolarHBondContact O-CA 3.44Å; I265-L368 HydrophobicContact CD1-CD2 3.37Å; I265-L368 HydrophobicContact CG1-CD1 4.22Å; I265-L368 HydrophobicContact CG1-CD2 3.74Å |
| 266 | F | 94.9 | Very high | 90.6 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 27% | 0.268 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 134.7 | 179.6 | 175.4 | -102.3 | 0 | 0 | 0 | 112.5 | L258 Q262 R268 W269 P360 L368 | L258-F266 HydrophobicContact CD1-CB 3.97Å; L258-F266 HydrophobicContact CD1-CD1 4.21Å; L258-F266 HydrophobicContact CD1-CD2 3.35Å; L258-F266 HydrophobicContact CD1-CE2 3.82Å; L258-F266 HydrophobicContact CD1-CG 3.57Å; L258-F266 HydrophobicContact CD1-CZ 4.43Å; Q262-F266 VanDerWaalsContact O-CB 3.29Å; Q262-F266 WeakPolarHBondContact O-CB 3.11Å; Q262-F266 PolarHBondContact O-N 2.91Å; F266-R268 WeakPolarHBondContact CE2-O 3.44Å; F266-R268 VanDerWaalsContact CZ-C 3.47Å; F266-R268 VanDerWaalsContact CZ-CA 3.46Å; F266-W269 AromaticContact CE2-CD1 3.81Å; F266-W269 HydrophobicContact CE2-CG 4.28Å; F266-W269 AromaticContact CE2-NE1 3.7Å; F266-W269 AromaticContact CZ-CD1 3.43Å; F266-W269 VanDerWaalsContact CZ-CD1 3.43Å; F266-W269 HydrophobicContact CZ-CG 4.25Å; F266-W269 AromaticContact CZ-NE1 3.52Å; F266-P360 HydrophobicContact CD2-CB 4.08Å; F266-P360 HydrophobicContact CE2-CB 4.02Å; F266-L368 HydrophobicContact CB-CD1 4.06Å; F266-L368 HydrophobicContact CD2-CD1 4.17Å |
| 267 | S | 94.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -60 | 172.6 | 180 | 0 | 0 | 0 | 0 | 111.5 | V361 D362 | S267-V361 PolarHBondContact N-O 3.38Å; S267-D362 VanDerWaalsContact CB-C 3.5Å; S267-D362 VanDerWaalsContact CB-O 3.31Å; S267-D362 WeakPolarHBondContact CB-O 3.44Å |
| 268 | R | 94.4 | Very high | 89.2 | Confident | 125 Ų | 125 | 54.1 Ų | 54.1 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 166.9 | -175.3 | 54.4 | 180 | 157 | 104.3 | 5.9 | 111.6 | F266 V270 V361 | F266-R268 WeakPolarHBondContact CE2-O 3.44Å; F266-R268 VanDerWaalsContact CZ-C 3.47Å; F266-R268 VanDerWaalsContact CZ-CA 3.46Å; R268-V270 HydrophobicContact CG-CG1 3.95Å; R268-V361 HydrophobicContact CG-CG2 3.94Å; R268-V361 WeakPolarHBondContact O-CG2 3.44Å; R268-V361 PolarHBondContact O-N 3.26Å |
| 269 | W | 94.7 | Very high | 88.8 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 136.5 | 166 | -68.3 | 89.2 | 0 | 0 | 0 | 109.1 | K255 L256 L258 F266 Y358 L359 P360 Y394 | K255-W269 HydrophobicContact CB-CD2 4.33Å; K255-W269 HydrophobicContact CB-CH2 4.47Å; K255-W269 HydrophobicContact CB-CZ2 3.84Å; K255-W269 HydrophobicContact CD-CD2 3.89Å; K255-W269 HydrophobicContact CD-CE3 4.18Å; K255-W269 HydrophobicContact CD-CG 4.04Å; K255-W269 HydrophobicContact CG-CD2 4.17Å; K255-W269 HydrophobicContact CG-CG 4.2Å; L256-W269 HydrophobicContact CB-CH2 4.28Å; L256-W269 WeakPolarHBondContact O-CZ2 3.33Å; L258-W269 HydrophobicContact CD2-CH2 4.2Å; L258-W269 HydrophobicContact CD2-CZ2 3.89Å; L258-W269 HydrophobicContact CG-CZ2 4.24Å; F266-W269 AromaticContact CE2-CD1 3.81Å; F266-W269 HydrophobicContact CE2-CG 4.28Å; F266-W269 AromaticContact CE2-NE1 3.7Å; F266-W269 AromaticContact CZ-CD1 3.43Å; F266-W269 VanDerWaalsContact CZ-CD1 3.43Å; F266-W269 HydrophobicContact CZ-CG 4.25Å; F266-W269 AromaticContact CZ-NE1 3.52Å; W269-Y358 HydrophobicContact CB-CD1 4.03Å; W269-Y358 WeakPolarHBondContact CZ3-O 3.46Å; W269-L359 WeakPolarHBondContact CA-O 3.38Å; W269-L359 VanDerWaalsContact CE3-C 3.5Å; W269-P360 HydrophobicContact CD2-CB 4.36Å; W269-P360 HydrophobicContact CE3-CB 4.21Å; W269-P360 HydrophobicContact CH2-CB 4.15Å; W269-P360 HydrophobicContact CH2-CG 4.1Å; W269-P360 HydrophobicContact CZ2-CB 4.27Å; W269-P360 HydrophobicContact CZ3-CB 4.13Å; W269-P360 VanDerWaalsContact CZ3-CD 3.48Å; W269-P360 HydrophobicContact CZ3-CG 4.04Å; W269-Y394 HydrophobicContact CH2-CD2 4.45Å; W269-Y394 HydrophobicContact CH2-CE2 4.03Å |
| 270 | V | 93.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 152.1 | -178.4 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | R268 E274 I275 Y358 L359 V361 | R268-V270 HydrophobicContact CG-CG1 3.95Å; V270-E274 HydrophobicContact CB-CB 4.37Å; V270-I275 HydrophobicContact CB-CG2 4.13Å; V270-I275 HydrophobicContact CG1-CG2 4.42Å; V270-I275 HydrophobicContact CG2-CD1 4.14Å; V270-I275 HydrophobicContact CG2-CG2 3.74Å; V270-Y358 CarbonylContact O-C 3.55Å; V270-Y358 WeakPolarHBondContact O-CA 3.46Å; V270-L359 PolarHBondContact N-O 3.38Å; V270-L359 PolarHBondContact O-N 3.31Å; V270-V361 HydrophobicContact CG1-CG2 3.77Å; V270-V361 HydrophobicContact CG2-CB 4.42Å; V270-V361 HydrophobicContact CG2-CG1 3.52Å; V270-V361 HydrophobicContact CG2-CG2 4.01Å |
| 271 | R | 92.1 | Very high | 88.6 | Confident | 13 Ų | 13 | 50.9 Ų | 50.9 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | trans | -87.1 | 159.8 | 165.8 | -64.3 | -167.6 | -176.5 | -104.2 | 4.4 | 111.3 | P248 F249 S250 D273 E274 D357 Y358 | P248-R271 VanDerWaalsContact CB-CZ 3.42Å; F249-R271 PolarHBondContact O-NH1 3.2Å; F249-R271 PolarHBondContact O-NH2 2.97Å; S250-R271 PolarHBondContact OG-NH2 2.91Å; R271-D273 VanDerWaalsContact C-N 3.25Å; R271-D273 WeakPolarHBondContact CB-OD1 3.39Å; R271-D273 PolarHBondContact O-N 3.28Å; R271-E274 HydrophobicContact CB-CG 4.42Å; R271-E274 PolarHBondContact N-OE1 2.88Å; R271-E274 WeakPolarHBondContact O-CB 3.35Å; R271-E274 PolarHBondContact O-N 3.15Å; R271-D357 IonicContact CZ-OD1 3.89Å; R271-D357 IonicContact NE-OD1 2.77Å; R271-D357 IonicContact NH1-OD1 3.82Å; R271-D357 PolarHBondContact NH1-OD1 2.83Å; R271-Y358 HydrophobicContact CG-CD1 3.91Å; R271-Y358 HydrophobicContact CG-CD2 4.4Å; R271-Y358 HydrophobicContact CG-CE1 3.71Å; R271-Y358 HydrophobicContact CG-CE2 4.34Å; R271-Y358 HydrophobicContact CG-CG 4.26Å; R271-Y358 PolarHBondContact NE-OH 2.92Å | ||
| 272 | P | 90.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -54.3 | -38.8 | 178.8 | -29.8 | 38.6 | 0 | 0 | 0 | 114.1 | E274 I275 C276 P279 D357 L378 | P272-E274 PolarHBondContact O-N 2.79Å; P272-I275 WeakPolarHBondContact O-CG1 3.38Å; P272-I275 PolarHBondContact O-N 3.02Å; P272-C276 WeakPolarHBondContact O-CB 3.39Å; P272-C276 PolarHBondContact O-N 2.85Å; P272-P279 HydrophobicContact CB-CB 3.88Å; P272-P279 HydrophobicContact CB-CG 4.46Å; P272-D357 WeakPolarHBondContact CD-O 3.28Å; P272-D357 WeakPolarHBondContact CD-OD2 3.44Å; P272-D357 HydrophobicContact CG-CB 4.21Å; P272-L378 HydrophobicContact CB-CD1 3.72Å; P272-L378 HydrophobicContact CB-CD2 3.79Å; P272-L378 HydrophobicContact CB-CG 4.39Å; P272-L378 HydrophobicContact CG-CD1 3.59Å; P272-L378 HydrophobicContact CG-CD2 3.79Å; P272-L378 HydrophobicContact CG-CG 4.34Å |
| 273 | D | 86.5 | Confident | 87.8 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -68.1 | -17.9 | 179.9 | 57.8 | -63.3 | 0 | 0 | 0 | 113.7 | V85 R271 | V85-D273 HydrophobicContact CG1-CB 4.46Å; V85-D273 HydrophobicContact CG2-CB 4.27Å; R271-D273 VanDerWaalsContact C-N 3.25Å; R271-D273 WeakPolarHBondContact CB-OD1 3.39Å; R271-D273 PolarHBondContact O-N 3.28Å |
| 274 | E | 86.3 | Confident | 87 | Confident | 79 Ų | 79 | 40.6 Ų | 40.6 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -84 | -14.8 | 176.4 | -62.1 | 175.1 | -141.1 | 0 | 0 | 113.3 | L79 V270 R271 P272 | L79-E274 VanDerWaalsContact CD1-O 3.23Å; L79-E274 WeakPolarHBondContact CD1-O 3.47Å; V270-E274 HydrophobicContact CB-CB 4.37Å; R271-E274 HydrophobicContact CB-CG 4.42Å; R271-E274 PolarHBondContact N-OE1 2.88Å; R271-E274 WeakPolarHBondContact O-CB 3.35Å; R271-E274 PolarHBondContact O-N 3.15Å; P272-E274 PolarHBondContact O-N 2.79Å |
| 275 | I | 83.1 | Confident | 86.4 | Confident | 61 Ų | 61 | 38 Ų | 38 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -14.6 | -176.5 | 59.4 | 171.4 | 0 | 0 | 0 | 113.1 | V270 P272 L367 | V270-I275 HydrophobicContact CB-CG2 4.13Å; V270-I275 HydrophobicContact CG1-CG2 4.42Å; V270-I275 HydrophobicContact CG2-CD1 4.14Å; V270-I275 HydrophobicContact CG2-CG2 3.74Å; P272-I275 WeakPolarHBondContact O-CG1 3.38Å; P272-I275 PolarHBondContact O-N 3.02Å; I275-L367 HydrophobicContact CD1-CD2 4.08Å |
| 276 | C | 79.8 | Confident | 85.8 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | trans | -140.5 | 136.6 | -176.1 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | P272 N278 N376 | P272-C276 WeakPolarHBondContact O-CB 3.39Å; P272-C276 PolarHBondContact O-N 2.85Å; C276-N278 VanDerWaalsContact SG-C 3.57Å; C276-N278 PolarHBondContact SG-N 3.1Å; C276-N278 VanDerWaalsContact SG-N 3.44Å; C276-N376 PolarHBondContact SG-OD1 2.75Å | ||
| 277 | N | 75.3 | Confident | 85 | Confident | 28 Ų | 28 | 32.2 Ų | 32.2 | 15% | 0.15 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -74.1 | -41.2 | 179 | -101.4 | -21.2 | 0 | 0 | 0 | 113.9 | D77 P78 L79 K80 P279 | D77-N277 VanDerWaalsContact CB-ND2 3.33Å; D77-N277 WeakPolarHBondContact CB-ND2 3.32Å; D77-N277 PolarHBondContact O-ND2 3.48Å; P78-N277 PolarHBondContact O-ND2 2.92Å; P78-N277 PolarHBondContact O-OD1 2.72Å; L79-N277 WeakPolarHBondContact CA-OD1 3.3Å; K80-N277 WeakPolarHBondContact CD-O 3.11Å; K80-N277 WeakPolarHBondContact CE-O 3.43Å; K80-N277 PolarHBondContact N-OD1 2.95Å; K80-N277 PolarHBondContact NZ-O 3.12Å; N277-P279 VanDerWaalsContact C-CD 3.4Å; N277-P279 WeakPolarHBondContact O-CD 3.26Å |
| 278 | N | 80 | Confident | 84 | Confident | 56 Ų | 56 | 31 Ų | 31 | 30% | 0.299 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -125.8 | 68.3 | -174.9 | -64.8 | -40.6 | 0 | 0 | 0 | 109.6 | K80 C276 T280 N376 | K80-N278 PolarHBondContact NZ-OD1 2.91Å; K80-N278 VanDerWaalsContact NZ-OD1 3.1Å; C276-N278 VanDerWaalsContact SG-C 3.57Å; C276-N278 PolarHBondContact SG-N 3.1Å; C276-N278 VanDerWaalsContact SG-N 3.44Å; N278-T280 PolarHBondContact O-N 3.29Å; N278-N376 WeakPolarHBondContact O-CB 3.49Å |
| 279 | P | 85 | Confident | 83.2 | Confident | 11 Ų | 11 | 25.2 Ų | 25.2 | 7% | 0.071 | 13% | 0.13 | C | C | . | . | trans | -61.3 | 136.9 | 175.8 | 27 | -34.4 | 0 | 0 | 0 | 110 | P272 N277 Y334 L378 | P272-P279 HydrophobicContact CB-CB 3.88Å; P272-P279 HydrophobicContact CB-CG 4.46Å; N277-P279 VanDerWaalsContact C-CD 3.4Å; N277-P279 WeakPolarHBondContact O-CD 3.26Å; P279-Y334 HydrophobicContact CB-CD2 4.06Å; P279-Y334 HydrophobicContact CB-CE2 3.69Å; P279-Y334 HydrophobicContact CG-CD1 4.4Å; P279-Y334 HydrophobicContact CG-CD2 4.31Å; P279-Y334 HydrophobicContact CG-CE1 3.77Å; P279-Y334 HydrophobicContact CG-CE2 3.68Å; P279-Y334 WeakPolarHBondContact CG-OH 3.5Å; P279-L378 HydrophobicContact CB-CD1 3.99Å | ||
| 280 | T | 86.7 | Confident | 82.7 | Confident | 44 Ų | 44 | 23 Ų | 23 | 27% | 0.27 | 12% | 0.122 | S | C | . | . | B | Isolated β-bridge | trans | -134.2 | 147.5 | 179.3 | 57.7 | 0 | 0 | 0 | 0 | 108.8 | N278 M283 N376 E377 L378 | N278-T280 PolarHBondContact O-N 3.29Å; T280-M283 HydrophobicContact CG2-CG 4.42Å; T280-M283 WeakPolarHBondContact OG1-CG 3.4Å; T280-N376 PolarHBondContact N-O 2.96Å; T280-N376 PolarHBondContact OG1-O 3.38Å; T280-E377 WeakPolarHBondContact O-CA 3.14Å; T280-L378 PolarHBondContact O-N 2.89Å; T280-L378 VanDerWaalsContact O-N 3.14Å |
| 281 | M | 88.3 | Confident | 82.2 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -69.6 | -53.6 | 179.8 | -163.7 | 56.1 | -161 | 0 | 0 | 110.4 | I323 P332 Y340 L378 W379 L382 | M281-I323 HydrophobicContact CE-CD1 3.95Å; M281-I323 HydrophobicContact CE-CG1 4.5Å; M281-I323 HydrophobicContact CE-CG2 3.32Å; M281-I323 HydrophobicContact CG-CG2 4.2Å; M281-I323 HydrophobicContact SD-CG2 4.36Å; M281-P332 HydrophobicContact CG-CB 3.97Å; M281-P332 HydrophobicContact CG-CG 4.46Å; M281-Y340 HydrophobicContact CE-CD1 4.49Å; M281-Y340 HydrophobicContact SD-CD1 4.27Å; M281-Y340 HydrophobicContact SD-CE1 3.77Å; M281-L378 PolarHBondContact O-N 3.39Å; M281-L378 HydrophobicContact SD-CB 4.27Å; M281-W379 HydrophobicContact CE-CB 3.96Å; M281-W379 WeakPolarHBondContact O-CB 3.34Å; M281-W379 PolarHBondContact O-N 2.96Å; M281-L382 HydrophobicContact CE-CB 4.19Å; M281-L382 HydrophobicContact CE-CD1 3.65Å; M281-L382 HydrophobicContact CE-CG 4.48Å; M281-L382 HydrophobicContact SD-CD1 3.8Å |
| 282 | I | 86.1 | Confident | 81.7 | Confident | 40 Ų | 40 | 26 Ų | 26 | 21% | 0.205 | 14% | 0.135 | C | C | . | . | trans | -143.6 | 126.1 | 179 | -60.4 | -179.1 | 0 | 0 | 0 | 108.8 | V285 T320 I323 P332 W379 | I282-V285 HydrophobicContact CD1-CG2 4.31Å; I282-V285 HydrophobicContact CG2-CG2 3.64Å; I282-T320 HydrophobicContact CD1-CG2 3.68Å; I282-I323 HydrophobicContact CD1-CD1 4.17Å; I282-P332 HydrophobicContact CD1-CG 3.52Å; I282-P332 HydrophobicContact CG1-CG 4.21Å; I282-W379 HydrophobicContact CD1-CB 4.17Å; I282-W379 HydrophobicContact CD1-CG 4.31Å; I282-W379 HydrophobicContact CG1-CB 3.69Å; I282-W379 HydrophobicContact CG1-CG 3.77Å | ||
| 283 | M | 76.6 | Confident | 81.3 | Confident | 29 Ų | 29 | 27.4 Ų | 27.4 | 14% | 0.143 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -97.3 | -42.5 | 168.4 | -62.4 | -176.4 | 60.1 | 0 | 0 | 111.1 | E28 F31 Y32 T280 N374 N376 E377 | E28-M283 HydrophobicContact CG-CE 4.42Å; F31-M283 HydrophobicContact CD1-CE 4.09Å; F31-M283 HydrophobicContact CE1-CB 3.89Å; F31-M283 HydrophobicContact CE1-CE 4.34Å; F31-M283 HydrophobicContact CZ-CB 4.29Å; Y32-M283 HydrophobicContact CD2-CE 4.37Å; Y32-M283 HydrophobicContact CE2-CE 3.38Å; Y32-M283 WeakPolarHBondContact OH-CE 3.38Å; T280-M283 HydrophobicContact CG2-CG 4.42Å; T280-M283 WeakPolarHBondContact OG1-CG 3.4Å; M283-N374 PolarHBondContact SD-ND2 3.19Å; M283-N376 HydrophobicContact SD-CB 4.31Å; M283-E377 WeakPolarHBondContact CA-OE1 3.33Å; M283-E377 HydrophobicContact CB-CG 4.04Å; M283-E377 VanDerWaalsContact CB-OE1 3.3Å; M283-E377 WeakPolarHBondContact CB-OE1 3.34Å; M283-E377 HydrophobicContact CG-CG 3.91Å; M283-E377 PolarHBondContact N-OE1 3.33Å; M283-E377 HydrophobicContact SD-CG 4.39Å |
| 284 | S | 75.9 | Confident | 80.8 | Confident | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | trans | -147.7 | 132.8 | 171.8 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | E35 S286 E377 | E35-S284 PolarHBondContact OE2-OG 2.82Å; S284-S286 VanDerWaalsContact C-N 3.31Å; S284-S286 PolarHBondContact O-N 3.21Å; S284-E377 PolarHBondContact N-OE1 2.88Å | ||
| 285 | V | 78.7 | Confident | 80.3 | Confident | 21 Ų | 21 | 24.5 Ų | 24.5 | 13% | 0.127 | 13% | 0.133 | C | C | . | . | trans | -78.1 | 87.3 | 171.5 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | I282 A308 E311 T320 | I282-V285 HydrophobicContact CD1-CG2 4.31Å; I282-V285 HydrophobicContact CG2-CG2 3.64Å; V285-A308 HydrophobicContact CG1-CB 3.67Å; V285-E311 HydrophobicContact CG1-CB 4.44Å; V285-E311 HydrophobicContact CG1-CG 4.5Å; V285-T320 HydrophobicContact CG2-CG2 3.93Å | ||
| 286 | S | 79 | Confident | 79.9 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -120.3 | 124.3 | -176 | -172 | 0 | 0 | 0 | 0 | 110.6 | E35 S284 F288 S289 | E35-S286 PolarHBondContact OE1-OG 3.43Å; E35-S286 VanDerWaalsContact OE1-OG 3.13Å; S284-S286 VanDerWaalsContact C-N 3.31Å; S284-S286 PolarHBondContact O-N 3.21Å; S286-F288 PolarHBondContact O-N 3.46Å; S286-F288 PolarHBondContact OG-N 3Å; S286-S289 PolarHBondContact O-N 3.35Å; S286-S289 PolarHBondContact O-OG 2.91Å | ||
| 287 | S | 77.9 | Confident | 80.1 | Confident | 5 Ų | 5 | 23.6 Ų | 23.6 | 4% | 0.035 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23.7 | 172.6 | 61 | 0 | 0 | 0 | 0 | 111.9 | A305 K485 | S287-A305 WeakPolarHBondContact CB-O 3.23Å; S287-K485 WeakPolarHBondContact O-CD 3.47Å; S287-K485 WeakPolarHBondContact O-CE 3.14Å; S287-K485 PolarHBondContact O-NZ 2.94Å |
| 288 | F | 73.6 | Confident | 80.7 | Confident | 30 Ų | 30 | 23 Ų | 23 | 13% | 0.132 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -18.4 | 179.6 | -56.6 | -79.2 | 0 | 0 | 0 | 113.2 | Y42 S286 I290 L471 V526 V528 | Y42-F288 AromaticContact CE2-CE2 3.7Å; Y42-F288 HydrophobicContact CE2-CE2 3.7Å; Y42-F288 HydrophobicContact CE2-CZ 4.13Å; Y42-F288 AromaticContact CZ-CE2 3.8Å; Y42-F288 AromaticContact CZ-CZ 3.75Å; Y42-F288 VanDerWaalsContact OH-CE2 3.25Å; Y42-F288 WeakPolarHBondContact OH-CE2 3.35Å; Y42-F288 WeakPolarHBondContact OH-CZ 3.35Å; S286-F288 PolarHBondContact O-N 3.46Å; S286-F288 PolarHBondContact OG-N 3Å; F288-I290 VanDerWaalsContact C-N 3.34Å; F288-L471 HydrophobicContact CE1-CD1 3.79Å; F288-L471 HydrophobicContact CZ-CD1 3.62Å; F288-V526 HydrophobicContact CB-CG2 4.24Å; F288-V526 WeakPolarHBondContact O-CG1 3.39Å; F288-V526 WeakPolarHBondContact O-CG2 3.06Å; F288-V528 HydrophobicContact CD1-CG2 3.76Å; F288-V528 HydrophobicContact CE1-CB 4.28Å; F288-V528 HydrophobicContact CE1-CG1 4.21Å; F288-V528 HydrophobicContact CE1-CG2 3.49Å; F288-V528 VanDerWaalsContact CE1-CG2 3.49Å |
| 289 | S | 77.1 | Confident | 81.2 | Confident | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.028 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -27.7 | 177.5 | 71.5 | 0 | 0 | 0 | 0 | 111.4 | S286 K291 S372 S373 | S286-S289 PolarHBondContact O-N 3.35Å; S286-S289 PolarHBondContact O-OG 2.91Å; S289-K291 PolarHBondContact O-N 2.86Å; S289-S372 VanDerWaalsContact CB-OG 3.25Å; S289-S372 WeakPolarHBondContact CB-OG 3.47Å; S289-S372 CarbonylContact O-C 3.5Å; S289-S372 WeakPolarHBondContact O-CA 3.34Å; S289-S372 PolarHBondContact OG-OG 3.47Å; S289-S373 PolarHBondContact O-N 3.19Å; S289-S373 PolarHBondContact O-OG 2.89Å |
| 290 | I | 85.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 125.4 | -175 | -47.9 | 179.2 | 0 | 0 | 0 | 112.1 | F288 V301 L304 A305 W379 V380 K485 | F288-I290 VanDerWaalsContact C-N 3.34Å; I290-V301 HydrophobicContact CG2-CG1 3.44Å; I290-V301 VanDerWaalsContact CG2-CG1 3.44Å; I290-L304 HydrophobicContact CD1-CB 4.29Å; I290-L304 HydrophobicContact CD1-CD2 4.14Å; I290-L304 HydrophobicContact CD1-CG 3.97Å; I290-A305 VanDerWaalsContact CD1-CA 3.49Å; I290-A305 HydrophobicContact CD1-CB 3.94Å; I290-W379 HydrophobicContact CD1-CH2 3.56Å; I290-W379 HydrophobicContact CD1-CZ2 4.2Å; I290-W379 HydrophobicContact CD1-CZ3 4.4Å; I290-W379 HydrophobicContact CG1-CH2 3.92Å; I290-W379 HydrophobicContact CG1-CZ2 4.04Å; I290-V380 HydrophobicContact CG1-CG2 4.04Å; I290-V380 HydrophobicContact CG2-CG1 4Å; I290-K485 PolarHBondContact O-NZ 3.05Å |
| 291 | K | 82.1 | Confident | 81.8 | Confident | 60 Ų | 60 | 18 Ų | 18 | 26% | 0.261 | 10% | 0.101 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.2 | 173.2 | -70.8 | -179 | 170.8 | 176.6 | 0 | 110.7 | S289 S370 Y371 S373 V526 | S289-K291 PolarHBondContact O-N 2.86Å; K291-S370 WeakPolarHBondContact O-CA 3.5Å; K291-Y371 HydrophobicContact CB-CD2 4.45Å; K291-Y371 HydrophobicContact CB-CE2 4.16Å; K291-Y371 HydrophobicContact CD-CE2 4.12Å; K291-Y371 PolarHBondContact N-O 2.85Å; K291-Y371 PolarHBondContact O-N 3.25Å; K291-S373 WeakPolarHBondContact CD-OG 3.45Å; K291-S373 WeakPolarHBondContact CE-OG 3.49Å; K291-V526 HydrophobicContact CG-CG1 4.48Å |
| 292 | Q | 82.9 | Confident | 82 | Confident | 15 Ų | 15 | 17.8 Ų | 17.8 | 7% | 0.07 | 10% | 0.1 | C | C | . | . | trans | -91.1 | 144.8 | 172.2 | 178.7 | 177.8 | -8.8 | 0 | 0 | 110.6 | V295 C298 V301 P487 | Q292-V295 HydrophobicContact CG-CB 4.47Å; Q292-V295 PolarHBondContact NE2-O 3.38Å; Q292-C298 VanDerWaalsContact OE1-CA 3.27Å; Q292-V301 HydrophobicContact CB-CB 4.43Å; Q292-V301 HydrophobicContact CB-CG1 4.15Å; Q292-V301 HydrophobicContact CB-CG2 4.18Å; Q292-V301 HydrophobicContact CG-CG2 4.15Å; Q292-P487 HydrophobicContact CB-CB 3.98Å; Q292-P487 PolarHBondContact N-O 2.75Å | ||
| 293 | T | 81.9 | Confident | 82.4 | Confident | 32 Ų | 32 | 15.9 Ų | 15.9 | 20% | 0.196 | 9% | 0.09 | C | C | . | . | trans | -113.2 | -130.7 | 179.6 | 60.6 | 0 | 0 | 0 | 0 | 111 | V295 L368 C369 Y371 | T293-V295 PolarHBondContact O-N 2.9Å; T293-V295 VanDerWaalsContact O-N 3.12Å; T293-L368 PolarHBondContact OG1-O 3.37Å; T293-C369 WeakPolarHBondContact CG2-O 3.17Å; T293-C369 VanDerWaalsContact OG1-C 3.27Å; T293-C369 PolarHBondContact OG1-O 2.96Å; T293-Y371 HydrophobicContact CG2-CD1 3.46Å; T293-Y371 VanDerWaalsContact CG2-CD1 3.46Å; T293-Y371 HydrophobicContact CG2-CE1 3.14Å | ||
| 294 | V | 76.3 | Confident | 83.2 | Confident | 51 Ų | 51 | 14.6 Ų | 14.6 | 31% | 0.309 | 8% | 0.084 | S | C | . | . | S | Bend | trans | -82.4 | 19.5 | -176.8 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | K261 Q262 I265 | K261-V294 HydrophobicContact CB-CG1 3.41Å; K261-V294 VanDerWaalsContact CB-CG1 3.41Å; K261-V294 HydrophobicContact CD-CG1 4.41Å; Q262-V294 HydrophobicContact CG-CB 4.24Å; Q262-V294 HydrophobicContact CG-CG1 4.19Å; I265-V294 HydrophobicContact CD1-CG2 3.81Å |
| 295 | V | 75.6 | Confident | 83.9 | Confident | 5 Ų | 5 | 14.2 Ų | 14.2 | 3% | 0.03 | 8% | 0.081 | C | C | . | . | trans | -80.8 | 137.2 | 179.5 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | Q292 T293 | Q292-V295 HydrophobicContact CG-CB 4.47Å; Q292-V295 PolarHBondContact NE2-O 3.38Å; T293-V295 PolarHBondContact O-N 2.9Å; T293-V295 VanDerWaalsContact O-N 3.12Å | ||
| 296 | S | 74.1 | Confident | 84.6 | Confident | 49 Ų | 49 | 13.4 Ų | 13.4 | 34% | 0.343 | 8% | 0.076 | S | C | . | . | S | Bend | trans | -72.7 | -33.1 | -178.8 | 37.6 | 0 | 0 | 0 | 0 | 113.7 | C298 F396 | S296-C298 PolarHBondContact O-N 2.78Å; S296-F396 WeakPolarHBondContact CB-O 3.47Å; S296-F396 PolarHBondContact OG-O 3.45Å |
| 297 | D | 83.7 | Confident | 85.3 | Confident | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.011 | 8% | 0.076 | C | C | . | . | trans | -89.7 | 86 | -172.8 | -169.5 | -3.9 | 0 | 0 | 0 | 113.1 | S299 F300 Y387 M388 F396 S399 | D297-S299 PolarHBondContact OD1-N 2.82Å; D297-S299 PolarHBondContact OD1-OG 3.1Å; D297-F300 HydrophobicContact CB-CB 4.42Å; D297-F300 PolarHBondContact OD1-N 2.84Å; D297-F300 VanDerWaalsContact OD1-N 3.11Å; D297-F300 WeakPolarHBondContact OD2-CB 3.18Å; D297-Y387 WeakPolarHBondContact OD2-CE1 3.44Å; D297-M388 HydrophobicContact CB-CE 4.22Å; D297-F396 HydrophobicContact CB-CD1 4.28Å; D297-S399 PolarHBondContact OD1-OG 3.1Å; D297-S399 PolarHBondContact OD2-OG 2.6Å | ||
| 298 | C | 87 | Confident | 85.9 | Confident | 16 Ų | 16 | 13.2 Ų | 13.2 | 11% | 0.108 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -71.3 | -29.5 | 176.1 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | Q292 S296 F300 V301 A302 H466 | Q292-C298 VanDerWaalsContact OE1-CA 3.27Å; S296-C298 PolarHBondContact O-N 2.78Å; C298-F300 VanDerWaalsContact C-N 3.31Å; C298-F300 PolarHBondContact O-N 2.87Å; C298-V301 PolarHBondContact O-N 3.41Å; C298-A302 PolarHBondContact O-N 2.93Å; C298-H466 WeakPolarHBondContact CB-CE1 3.22Å; C298-H466 WeakPolarHBondContact CB-ND1 3.37Å; C298-H466 PolarHBondContact SG-ND1 2.84Å; C298-H466 VanDerWaalsContact SG-ND1 3.35Å |
| 299 | S | 91.1 | Very high | 86.6 | Confident | 4 Ų | 4 | 12.6 Ų | 12.6 | 3% | 0.028 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.1 | -33.1 | -177.9 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | D297 S303 S399 S401 D404 | D297-S299 PolarHBondContact OD1-N 2.82Å; D297-S299 PolarHBondContact OD1-OG 3.1Å; S299-S303 VanDerWaalsContact O-CB 3.31Å; S299-S303 WeakPolarHBondContact O-CB 3.4Å; S299-S303 PolarHBondContact O-N 3.42Å; S299-S303 PolarHBondContact O-OG 3.46Å; S299-S399 VanDerWaalsContact OG-C 3.3Å; S299-S399 PolarHBondContact OG-O 2.89Å; S299-S399 PolarHBondContact OG-OG 3.26Å; S299-S399 VanDerWaalsContact OG-OG 3.14Å; S299-S401 WeakPolarHBondContact CB-OG 3.46Å; S299-D404 WeakPolarHBondContact CB-OD2 3.31Å; S299-D404 PolarHBondContact OG-OD2 3.41Å |
| 300 | F | 92.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 173.8 | -175.3 | -98.9 | 0 | 0 | 0 | 112.1 | D297 C298 S303 L304 I383 E384 Y387 D404 L408 | D297-F300 HydrophobicContact CB-CB 4.42Å; D297-F300 PolarHBondContact OD1-N 2.84Å; D297-F300 VanDerWaalsContact OD1-N 3.11Å; D297-F300 WeakPolarHBondContact OD2-CB 3.18Å; C298-F300 VanDerWaalsContact C-N 3.31Å; C298-F300 PolarHBondContact O-N 2.87Å; F300-S303 WeakPolarHBondContact O-CB 3.46Å; F300-S303 PolarHBondContact O-N 3.08Å; F300-S303 VanDerWaalsContact O-N 3.17Å; F300-L304 PolarHBondContact O-N 3.13Å; F300-I383 HydrophobicContact CE1-CG2 4.09Å; F300-I383 HydrophobicContact CZ-CG2 3.64Å; F300-E384 HydrophobicContact CD1-CG 4.44Å; F300-E384 HydrophobicContact CE1-CB 4.05Å; F300-E384 HydrophobicContact CE1-CG 4.41Å; F300-Y387 HydrophobicContact CB-CD1 4.22Å; F300-Y387 HydrophobicContact CB-CE1 4.09Å; F300-Y387 HydrophobicContact CD1-CD1 4.18Å; F300-Y387 AromaticContact CD2-CD1 3.16Å; F300-Y387 HydrophobicContact CD2-CD1 3.16Å; F300-Y387 HydrophobicContact CD2-CD2 4.17Å; F300-Y387 AromaticContact CD2-CE1 3.34Å; F300-Y387 HydrophobicContact CD2-CE1 3.34Å; F300-Y387 HydrophobicContact CD2-CE2 4.3Å; F300-Y387 AromaticContact CD2-CG 3.62Å; F300-Y387 HydrophobicContact CD2-CG 3.62Å; F300-Y387 AromaticContact CD2-CZ 3.91Å; F300-Y387 HydrophobicContact CE1-CD1 4.36Å; F300-Y387 HydrophobicContact CE1-CG 4.5Å; F300-Y387 AromaticContact CE2-CD1 3.37Å; F300-Y387 HydrophobicContact CE2-CD1 3.37Å; F300-Y387 AromaticContact CE2-CD2 3.74Å; F300-Y387 HydrophobicContact CE2-CD2 3.74Å; F300-Y387 AromaticContact CE2-CE1 3.92Å; F300-Y387 HydrophobicContact CE2-CE1 3.92Å; F300-Y387 HydrophobicContact CE2-CE2 4.24Å; F300-Y387 AromaticContact CE2-CG 3.26Å; F300-Y387 HydrophobicContact CE2-CG 3.26Å; F300-Y387 AromaticContact CG-CD1 3.59Å; F300-Y387 HydrophobicContact CG-CD1 3.59Å; F300-Y387 AromaticContact CG-CE1 3.86Å; F300-Y387 HydrophobicContact CG-CE1 3.86Å; F300-Y387 HydrophobicContact CG-CG 4.34Å; F300-Y387 VanDerWaalsContact CZ-CB 3.45Å; F300-Y387 AromaticContact CZ-CD1 3.96Å; F300-Y387 HydrophobicContact CZ-CD1 3.96Å; F300-Y387 HydrophobicContact CZ-CD2 4.5Å; F300-Y387 AromaticContact CZ-CG 3.75Å; F300-Y387 HydrophobicContact CZ-CG 3.75Å; F300-D404 HydrophobicContact CB-CB 4.38Å; F300-D404 HydrophobicContact CD2-CB 4.03Å; F300-D404 PolarHBondContact N-OD2 2.77Å; F300-L408 HydrophobicContact CD2-CD1 4.24Å; F300-L408 HydrophobicContact CD2-CG 4.47Å; F300-L408 HydrophobicContact CE2-CD1 3.84Å; F300-L408 HydrophobicContact CE2-CD2 3.66Å; F300-L408 HydrophobicContact CE2-CG 3.72Å; F300-L408 HydrophobicContact CZ-CD1 4.3Å; F300-L408 HydrophobicContact CZ-CD2 3.74Å; F300-L408 HydrophobicContact CZ-CG 4.27Å |
| 301 | V | 91.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.1 | -39.9 | 179.4 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | I290 Q292 C298 S303 L304 A305 S370 P487 | I290-V301 HydrophobicContact CG2-CG1 3.44Å; I290-V301 VanDerWaalsContact CG2-CG1 3.44Å; Q292-V301 HydrophobicContact CB-CB 4.43Å; Q292-V301 HydrophobicContact CB-CG1 4.15Å; Q292-V301 HydrophobicContact CB-CG2 4.18Å; Q292-V301 HydrophobicContact CG-CG2 4.15Å; C298-V301 PolarHBondContact O-N 3.41Å; V301-S303 VanDerWaalsContact C-N 3.3Å; V301-S303 PolarHBondContact O-N 2.71Å; V301-L304 PolarHBondContact O-N 2.95Å; V301-A305 PolarHBondContact O-N 3.18Å; V301-S370 VanDerWaalsContact CG2-OG 3.25Å; V301-S370 WeakPolarHBondContact CG2-OG 3.42Å; V301-P487 HydrophobicContact CB-CB 4.11Å; V301-P487 HydrophobicContact CB-CG 4.41Å; V301-P487 HydrophobicContact CG1-CB 3.91Å; V301-P487 HydrophobicContact CG1-CG 4.48Å |
| 302 | A | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | C298 L304 A305 I306 A467 A469 P487 | C298-A302 PolarHBondContact O-N 2.93Å; A302-L304 PolarHBondContact O-N 2.7Å; A302-A305 PolarHBondContact O-N 3.02Å; A302-I306 PolarHBondContact O-N 2.78Å; A302-A467 HydrophobicContact CB-CB 4.17Å; A302-A469 HydrophobicContact CB-CB 4.47Å; A302-P487 HydrophobicContact CB-CG 3.93Å |
| 303 | S | 94.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 177.5 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | S299 F300 V301 I306 S307 D404 | S299-S303 VanDerWaalsContact O-CB 3.31Å; S299-S303 WeakPolarHBondContact O-CB 3.4Å; S299-S303 PolarHBondContact O-N 3.42Å; S299-S303 PolarHBondContact O-OG 3.46Å; F300-S303 WeakPolarHBondContact O-CB 3.46Å; F300-S303 PolarHBondContact O-N 3.08Å; F300-S303 VanDerWaalsContact O-N 3.17Å; V301-S303 VanDerWaalsContact C-N 3.3Å; V301-S303 PolarHBondContact O-N 2.71Å; S303-I306 VanDerWaalsContact O-CG2 3.26Å; S303-I306 WeakPolarHBondContact O-CG2 3.35Å; S303-S307 WeakPolarHBondContact O-CB 3.33Å; S303-S307 PolarHBondContact O-N 2.84Å; S303-S307 VanDerWaalsContact O-N 3.09Å; S303-S307 PolarHBondContact O-OG 2.78Å; S303-D404 WeakPolarHBondContact OG-CB 3.45Å |
| 304 | L | 93.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.1 | -42.5 | 173.9 | -167.5 | 67.9 | 0 | 0 | 0 | 111.5 | I290 F300 V301 A302 S307 A308 I319 W379 V380 I383 | I290-L304 HydrophobicContact CD1-CB 4.29Å; I290-L304 HydrophobicContact CD1-CD2 4.14Å; I290-L304 HydrophobicContact CD1-CG 3.97Å; F300-L304 PolarHBondContact O-N 3.13Å; V301-L304 PolarHBondContact O-N 2.95Å; A302-L304 PolarHBondContact O-N 2.7Å; L304-S307 PolarHBondContact O-N 2.74Å; L304-A308 WeakPolarHBondContact O-CB 3.32Å; L304-A308 PolarHBondContact O-N 2.84Å; L304-I319 HydrophobicContact CD1-CD1 3.73Å; L304-W379 HydrophobicContact CD1-CE3 4.27Å; L304-W379 HydrophobicContact CD1-CZ3 3.62Å; L304-W379 HydrophobicContact CD2-CE3 4.33Å; L304-W379 HydrophobicContact CD2-CH2 4.31Å; L304-W379 HydrophobicContact CD2-CZ3 3.76Å; L304-W379 HydrophobicContact CG-CE3 4.48Å; L304-W379 HydrophobicContact CG-CH2 4.14Å; L304-W379 HydrophobicContact CG-CZ3 3.58Å; L304-V380 HydrophobicContact CD2-CB 4.25Å; L304-V380 HydrophobicContact CD2-CG1 3.86Å; L304-V380 HydrophobicContact CD2-CG2 4.29Å; L304-I383 HydrophobicContact CD1-CD1 4.24Å; L304-I383 HydrophobicContact CD1-CG2 3.96Å |
| 305 | A | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S287 I290 V301 A302 A308 A309 A469 K485 | S287-A305 WeakPolarHBondContact CB-O 3.23Å; I290-A305 VanDerWaalsContact CD1-CA 3.49Å; I290-A305 HydrophobicContact CD1-CB 3.94Å; V301-A305 PolarHBondContact O-N 3.18Å; A302-A305 PolarHBondContact O-N 3.02Å; A305-A308 PolarHBondContact O-N 3.1Å; A305-A309 WeakPolarHBondContact O-CB 3.4Å; A305-A309 PolarHBondContact O-N 2.53Å; A305-A469 HydrophobicContact CB-CB 4.27Å; A305-K485 HydrophobicContact CB-CD 3.94Å |
| 306 | I | 93.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.6 | -36.3 | 177.8 | -172.4 | 53.5 | 0 | 0 | 0 | 112 | A302 S303 A309 Y310 L405 L444 T446 A469 V470 L471 | A302-I306 PolarHBondContact O-N 2.78Å; S303-I306 VanDerWaalsContact O-CG2 3.26Å; S303-I306 WeakPolarHBondContact O-CG2 3.35Å; I306-A309 PolarHBondContact O-N 2.77Å; I306-Y310 WeakPolarHBondContact O-CB 3.41Å; I306-Y310 PolarHBondContact O-N 3.4Å; I306-L405 HydrophobicContact CG2-CD2 3.72Å; I306-L444 HydrophobicContact CG1-CB 4.16Å; I306-L444 HydrophobicContact CG1-CD2 4.24Å; I306-T446 HydrophobicContact CG2-CG2 4.05Å; I306-A469 HydrophobicContact CB-CB 4.14Å; I306-V470 WeakPolarHBondContact CD1-O 3.38Å; I306-L471 HydrophobicContact CD1-CD2 4.46Å |
| 307 | S | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | S303 L304 Y310 E311 | S303-S307 WeakPolarHBondContact O-CB 3.33Å; S303-S307 PolarHBondContact O-N 2.84Å; S303-S307 VanDerWaalsContact O-N 3.09Å; S303-S307 PolarHBondContact O-OG 2.78Å; L304-S307 PolarHBondContact O-N 2.74Å; S307-Y310 PolarHBondContact O-N 3.48Å; S307-E311 PolarHBondContact O-N 2.66Å |
| 308 | A | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.1 | -44 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V285 L304 A305 Y310 E311 R312 W379 | V285-A308 HydrophobicContact CG1-CB 3.67Å; L304-A308 WeakPolarHBondContact O-CB 3.32Å; L304-A308 PolarHBondContact O-N 2.84Å; A305-A308 PolarHBondContact O-N 3.1Å; A308-Y310 VanDerWaalsContact C-N 3.32Å; A308-Y310 PolarHBondContact O-N 2.9Å; A308-E311 PolarHBondContact O-N 3.43Å; A308-R312 PolarHBondContact O-N 2.96Å; A308-W379 HydrophobicContact CB-CH2 3.89Å |
| 309 | A | 88.6 | Confident | 89.6 | Confident | 17 Ų | 17 | 25.7 Ų | 25.7 | 14% | 0.14 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A305 I306 R313 L471 | A305-A309 WeakPolarHBondContact O-CB 3.4Å; A305-A309 PolarHBondContact O-N 2.53Å; I306-A309 PolarHBondContact O-N 2.77Å; A309-R313 VanDerWaalsContact O-CB 3.25Å; A309-R313 WeakPolarHBondContact O-CB 3.13Å; A309-R313 PolarHBondContact O-N 2.92Å; A309-L471 HydrophobicContact CB-CD2 3.93Å |
| 310 | Y | 91 | Very high | 89.6 | Confident | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.8 | -47.7 | 177.1 | -179.2 | -85.4 | 0 | 0 | 0 | 112.1 | I306 S307 A308 R312 R313 Y314 K316 L318 W411 G441 L444 | I306-Y310 WeakPolarHBondContact O-CB 3.41Å; I306-Y310 PolarHBondContact O-N 3.4Å; S307-Y310 PolarHBondContact O-N 3.48Å; A308-Y310 VanDerWaalsContact C-N 3.32Å; A308-Y310 PolarHBondContact O-N 2.9Å; Y310-R312 VanDerWaalsContact C-N 3.3Å; Y310-R312 PolarHBondContact O-N 3.48Å; Y310-R313 PolarHBondContact O-N 3.29Å; Y310-R313 VanDerWaalsContact O-N 3.14Å; Y310-Y314 HydrophobicContact CD1-CD2 4.33Å; Y310-Y314 AromaticContact CD2-CD2 3.42Å; Y310-Y314 HydrophobicContact CD2-CD2 3.42Å; Y310-Y314 VanDerWaalsContact CD2-CD2 3.42Å; Y310-Y314 AromaticContact CD2-CE2 3.71Å; Y310-Y314 HydrophobicContact CD2-CE2 3.71Å; Y310-Y314 HydrophobicContact CE1-CD2 4.23Å; Y310-Y314 AromaticContact CE2-CD2 3.29Å; Y310-Y314 HydrophobicContact CE2-CD2 3.29Å; Y310-Y314 AromaticContact CE2-CE2 3.61Å; Y310-Y314 HydrophobicContact CE2-CE2 3.61Å; Y310-Y314 HydrophobicContact CE2-CG 4.15Å; Y310-Y314 AromaticContact CG-CD2 3.95Å; Y310-Y314 HydrophobicContact CG-CD2 3.95Å; Y310-Y314 AromaticContact CZ-CD2 3.71Å; Y310-Y314 PolarHBondContact O-N 3.32Å; Y310-K316 HydrophobicContact CE1-CB 3.9Å; Y310-K316 HydrophobicContact CE1-CD 4.02Å; Y310-L318 HydrophobicContact CD1-CD1 3.31Å; Y310-L318 HydrophobicContact CD1-CG 3.96Å; Y310-L318 HydrophobicContact CE1-CD1 3.85Å; Y310-L318 HydrophobicContact CE1-CG 4.27Å; Y310-L318 HydrophobicContact CG-CD1 3.96Å; Y310-W411 HydrophobicContact CD2-CH2 4.34Å; Y310-W411 AromaticContact CE1-CH2 3.94Å; Y310-W411 HydrophobicContact CE1-CH2 3.94Å; Y310-W411 HydrophobicContact CE1-CZ2 4.08Å; Y310-W411 AromaticContact CE2-CH2 3.67Å; Y310-W411 HydrophobicContact CE2-CH2 3.67Å; Y310-W411 HydrophobicContact CE2-CZ3 4.4Å; Y310-W411 AromaticContact CZ-CH2 3.46Å; Y310-W411 VanDerWaalsContact CZ-CH2 3.46Å; Y310-W411 AromaticContact CZ-CZ2 3.99Å; Y310-G441 WeakPolarHBondContact CE2-O 3.43Å; Y310-G441 PolarHBondContact OH-O 3.23Å; Y310-L444 VanDerWaalsContact CB-CD2 3.49Å; Y310-L444 HydrophobicContact CD1-CD2 4.47Å; Y310-L444 HydrophobicContact CD2-CD2 3.37Å; Y310-L444 HydrophobicContact CE2-CD2 4.22Å; Y310-L444 HydrophobicContact CG-CD2 3.53Å |
| 311 | E | 89.9 | Confident | 89.5 | Confident | 17 Ų | 17 | 27.7 Ų | 27.7 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57 | -46.4 | -179.8 | 174.1 | 161 | 165.6 | 0 | 0 | 111.2 | V285 S307 A308 N315 K316 L318 I319 T320 | V285-E311 HydrophobicContact CG1-CB 4.44Å; V285-E311 HydrophobicContact CG1-CG 4.5Å; S307-E311 PolarHBondContact O-N 2.66Å; A308-E311 PolarHBondContact O-N 3.43Å; E311-N315 WeakPolarHBondContact O-CA 3.38Å; E311-N315 PolarHBondContact O-N 2.67Å; E311-K316 VanDerWaalsContact CA-O 3.3Å; E311-K316 WeakPolarHBondContact CA-O 3.46Å; E311-K316 WeakPolarHBondContact CB-O 3.39Å; E311-K316 VanDerWaalsContact CG-O 3.31Å; E311-K316 WeakPolarHBondContact CG-O 3.47Å; E311-K316 PolarHBondContact O-N 2.92Å; E311-L318 PolarHBondContact OE2-N 2.98Å; E311-I319 PolarHBondContact OE2-N 3.05Å; E311-T320 WeakPolarHBondContact OE1-CB 3.36Å; E311-T320 WeakPolarHBondContact OE1-CG2 3.48Å; E311-T320 PolarHBondContact OE1-OG1 3.2Å; E311-T320 PolarHBondContact OE2-N 2.8Å |
| 312 | R | 84.6 | Confident | 89.6 | Confident | 47 Ų | 47 | 28.1 Ų | 28.1 | 18% | 0.177 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.3 | -174.9 | 173.2 | 179.2 | 162.9 | -1.5 | 112.5 | E35 A308 Y310 | E35-R312 IonicContact OE2-CZ 3.38Å; E35-R312 IonicContact OE2-NH1 3.07Å; E35-R312 PolarHBondContact OE2-NH1 3.06Å; E35-R312 IonicContact OE2-NH2 3.14Å; A308-R312 PolarHBondContact O-N 2.96Å; Y310-R312 VanDerWaalsContact C-N 3.3Å; Y310-R312 PolarHBondContact O-N 3.48Å |
| 313 | R | 83 | Confident | 89.7 | Confident | 47 Ų | 47 | 28.2 Ų | 28.2 | 18% | 0.177 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.8 | -39.5 | -175.8 | 177.6 | 170.9 | -64.8 | 178.1 | 4.8 | 113.7 | M1 A309 Y310 L471 D472 | M1-R313 HydrophobicContact CG-CG 4.05Å; A309-R313 VanDerWaalsContact O-CB 3.25Å; A309-R313 WeakPolarHBondContact O-CB 3.13Å; A309-R313 PolarHBondContact O-N 2.92Å; Y310-R313 PolarHBondContact O-N 3.29Å; Y310-R313 VanDerWaalsContact O-N 3.14Å; R313-L471 PolarHBondContact NH1-O 3.04Å; R313-L471 PolarHBondContact NH2-O 2.57Å; R313-D472 IonicContact NH1-OD1 2.67Å; R313-D472 IonicContact NH2-OD1 3.63Å |
| 314 | Y | 82.6 | Confident | 89.7 | Confident | 57 Ų | 57 | 29.2 Ų | 29.2 | 22% | 0.224 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -111.3 | 0.4 | -172.3 | -66.9 | -71.7 | 0 | 0 | 0 | 113.6 | Y310 K316 F438 H439 G441 | Y310-Y314 HydrophobicContact CD1-CD2 4.33Å; Y310-Y314 AromaticContact CD2-CD2 3.42Å; Y310-Y314 HydrophobicContact CD2-CD2 3.42Å; Y310-Y314 VanDerWaalsContact CD2-CD2 3.42Å; Y310-Y314 AromaticContact CD2-CE2 3.71Å; Y310-Y314 HydrophobicContact CD2-CE2 3.71Å; Y310-Y314 HydrophobicContact CE1-CD2 4.23Å; Y310-Y314 AromaticContact CE2-CD2 3.29Å; Y310-Y314 HydrophobicContact CE2-CD2 3.29Å; Y310-Y314 AromaticContact CE2-CE2 3.61Å; Y310-Y314 HydrophobicContact CE2-CE2 3.61Å; Y310-Y314 HydrophobicContact CE2-CG 4.15Å; Y310-Y314 AromaticContact CG-CD2 3.95Å; Y310-Y314 HydrophobicContact CG-CD2 3.95Å; Y310-Y314 AromaticContact CZ-CD2 3.71Å; Y310-Y314 PolarHBondContact O-N 3.32Å; Y314-K316 PolarHBondContact O-N 2.93Å; Y314-F438 PolarHBondContact OH-O 3.37Å; Y314-H439 VanDerWaalsContact OH-C 3.3Å; Y314-H439 PolarHBondContact OH-O 2.74Å; Y314-H439 VanDerWaalsContact OH-O 3.13Å; Y314-G441 PolarHBondContact OH-N 3.17Å |
| 315 | N | 82.8 | Confident | 89.7 | Confident | 151 Ų | 151 | 29.4 Ų | 29.4 | 81% | 0.807 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 42.4 | -175.1 | -164.9 | 29.5 | 0 | 0 | 0 | 112.5 | E311 | E311-N315 WeakPolarHBondContact O-CA 3.38Å; E311-N315 PolarHBondContact O-N 2.67Å |
| 316 | K | 85.6 | Confident | 89.6 | Confident | 83 Ų | 83 | 31.8 Ų | 31.8 | 36% | 0.361 | 15% | 0.153 | S | C | . | . | trans | -119.8 | 116.3 | -179.5 | -74.6 | -178 | -175.6 | 176.6 | 0 | 109.8 | Y310 E311 Y314 L318 | Y310-K316 HydrophobicContact CE1-CB 3.9Å; Y310-K316 HydrophobicContact CE1-CD 4.02Å; E311-K316 VanDerWaalsContact CA-O 3.3Å; E311-K316 WeakPolarHBondContact CA-O 3.46Å; E311-K316 WeakPolarHBondContact CB-O 3.39Å; E311-K316 VanDerWaalsContact CG-O 3.31Å; E311-K316 WeakPolarHBondContact CG-O 3.47Å; E311-K316 PolarHBondContact O-N 2.92Å; Y314-K316 PolarHBondContact O-N 2.93Å; K316-L318 PolarHBondContact O-N 2.79Å | ||
| 317 | K | 88.7 | Confident | 89.2 | Confident | 79 Ų | 79 | 33.7 Ų | 33.7 | 34% | 0.343 | 16% | 0.163 | S | C | . | . | trans | -67.5 | 95.3 | -175.4 | -62.3 | -171.4 | 173.2 | -174.8 | 0 | 112.3 | T320 S321 R329 G330 | K317-T320 VanDerWaalsContact CB-OG1 3.29Å; K317-T320 WeakPolarHBondContact CB-OG1 3.37Å; K317-T320 VanDerWaalsContact CG-OG1 3.27Å; K317-T320 WeakPolarHBondContact CG-OG1 3.36Å; K317-S321 WeakPolarHBondContact O-CB 3.07Å; K317-S321 PolarHBondContact O-OG 3.43Å; K317-R329 PolarHBondContact NZ-O 3.34Å; K317-R329 VanDerWaalsContact NZ-O 3.16Å; K317-G330 PolarHBondContact NZ-O 3.16Å | ||
| 318 | L | 89.1 | Confident | 88.5 | Confident | 20 Ų | 20 | 41 Ų | 41 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -98.9 | -40.3 | 173.3 | -70 | -175 | 0 | 0 | 0 | 111.8 | Y310 E311 K316 T409 W411 L444 | Y310-L318 HydrophobicContact CD1-CD1 3.31Å; Y310-L318 HydrophobicContact CD1-CG 3.96Å; Y310-L318 HydrophobicContact CE1-CD1 3.85Å; Y310-L318 HydrophobicContact CE1-CG 4.27Å; Y310-L318 HydrophobicContact CG-CD1 3.96Å; E311-L318 PolarHBondContact OE2-N 2.98Å; K316-L318 PolarHBondContact O-N 2.79Å; L318-T409 HydrophobicContact CD1-CG2 4.37Å; L318-W411 HydrophobicContact CD1-CZ2 4.09Å; L318-W411 HydrophobicContact CD2-CZ2 4.04Å; L318-L444 HydrophobicContact CD1-CD1 4.19Å |
| 319 | I | 90.9 | Very high | 88 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -94.4 | -47 | -178.8 | -64 | -52.8 | 0 | 0 | 0 | 110.7 | L304 E311 S321 I322 I323 W379 I383 | L304-I319 HydrophobicContact CD1-CD1 3.73Å; E311-I319 PolarHBondContact OE2-N 3.05Å; I319-S321 PolarHBondContact O-N 2.84Å; I319-I322 WeakPolarHBondContact O-CG1 3.49Å; I319-I322 PolarHBondContact O-N 3.17Å; I319-I323 HydrophobicContact CG2-CD1 4.3Å; I319-W379 HydrophobicContact CG2-CE3 3.63Å; I319-W379 HydrophobicContact CG2-CZ3 3.71Å; I319-I383 HydrophobicContact CG2-CD1 3.81Å |
| 320 | T | 90.6 | Very high | 87.8 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -64.7 | -30.2 | -177.1 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | I282 V285 E311 K317 I322 Q326 P332 | I282-T320 HydrophobicContact CD1-CG2 3.68Å; V285-T320 HydrophobicContact CG2-CG2 3.93Å; E311-T320 WeakPolarHBondContact OE1-CB 3.36Å; E311-T320 WeakPolarHBondContact OE1-CG2 3.48Å; E311-T320 PolarHBondContact OE1-OG1 3.2Å; E311-T320 PolarHBondContact OE2-N 2.8Å; K317-T320 VanDerWaalsContact CB-OG1 3.29Å; K317-T320 WeakPolarHBondContact CB-OG1 3.37Å; K317-T320 VanDerWaalsContact CG-OG1 3.27Å; K317-T320 WeakPolarHBondContact CG-OG1 3.36Å; T320-I322 VanDerWaalsContact C-N 3.33Å; T320-I322 PolarHBondContact O-N 3.36Å; T320-Q326 PolarHBondContact O-NE2 2.77Å; T320-P332 HydrophobicContact CG2-CG 4.25Å |
| 321 | S | 90.9 | Very high | 87.6 | Confident | 36 Ų | 36 | 51.2 Ų | 51.2 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -76.7 | -14.8 | -176.4 | 63.5 | 0 | 0 | 0 | 0 | 114.7 | K317 I319 Y324 Q326 | K317-S321 WeakPolarHBondContact O-CB 3.07Å; K317-S321 PolarHBondContact O-OG 3.43Å; I319-S321 PolarHBondContact O-N 2.84Å; S321-Y324 PolarHBondContact O-OH 3.36Å; S321-Q326 PolarHBondContact O-NE2 3.09Å |
| 322 | I | 94 | Very high | 87.7 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -97.9 | -7.4 | -177.8 | 62.4 | 163.1 | 0 | 0 | 0 | 113.4 | I319 T320 V342 K343 I383 L408 | I319-I322 WeakPolarHBondContact O-CG1 3.49Å; I319-I322 PolarHBondContact O-N 3.17Å; T320-I322 VanDerWaalsContact C-N 3.33Å; T320-I322 PolarHBondContact O-N 3.36Å; I322-V342 HydrophobicContact CD1-CG1 4.29Å; I322-V342 CarbonylContact O-C 3.45Å; I322-V342 VanDerWaalsContact O-CA 3.31Å; I322-V342 WeakPolarHBondContact O-CA 3.33Å; I322-K343 HydrophobicContact CB-CB 4.29Å; I322-K343 WeakPolarHBondContact CB-O 3.47Å; I322-K343 PolarHBondContact O-N 2.84Å; I322-I383 HydrophobicContact CD1-CD1 4.49Å; I322-L408 HydrophobicContact CD1-CD2 4.26Å |
| 323 | I | 95.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.7 | -176.6 | -57.5 | 172.6 | 0 | 0 | 0 | 110.1 | M281 I282 I319 Q326 P332 W379 I383 | M281-I323 HydrophobicContact CE-CD1 3.95Å; M281-I323 HydrophobicContact CE-CG1 4.5Å; M281-I323 HydrophobicContact CE-CG2 3.32Å; M281-I323 HydrophobicContact CG-CG2 4.2Å; M281-I323 HydrophobicContact SD-CG2 4.36Å; I282-I323 HydrophobicContact CD1-CD1 4.17Å; I319-I323 HydrophobicContact CG2-CD1 4.3Å; I323-Q326 WeakPolarHBondContact O-CG 3.49Å; I323-Q326 PolarHBondContact O-NE2 3.12Å; I323-P332 HydrophobicContact CB-CB 3.76Å; I323-P332 HydrophobicContact CB-CG 4.38Å; I323-P332 HydrophobicContact CG2-CB 3.59Å; I323-W379 HydrophobicContact CD1-CB 3.95Å; I323-I383 HydrophobicContact CD1-CD1 3.47Å; I323-I383 VanDerWaalsContact CD1-CD1 3.47Å; I323-I383 HydrophobicContact CD1-CG1 4.13Å; I323-I383 HydrophobicContact CG1-CD1 3.77Å; I323-I383 HydrophobicContact CG1-CG1 4.07Å |
| 324 | Y | 93.8 | Very high | 88.3 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 9% | 0.086 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 148.2 | 176.7 | -60 | -98.9 | 0 | 0 | 0 | 110.7 | L239 S321 Q326 Y340 M341 K343 | L239-Y324 HydrophobicContact CD2-CE1 3.87Å; S321-Y324 PolarHBondContact O-OH 3.36Å; Y324-Q326 HydrophobicContact CD1-CG 3.96Å; Y324-Q326 HydrophobicContact CE1-CG 4.21Å; Y324-Q326 HydrophobicContact CG-CG 4.46Å; Y324-Y340 WeakPolarHBondContact O-CA 3.24Å; Y324-M341 HydrophobicContact CD1-CE 3.92Å; Y324-M341 HydrophobicContact CD2-CE 3.62Å; Y324-M341 HydrophobicContact CE1-CE 4.47Å; Y324-M341 HydrophobicContact CE2-CE 4.24Å; Y324-M341 HydrophobicContact CG-CE 3.48Å; Y324-M341 VanDerWaalsContact CG-CE 3.48Å; Y324-M341 PolarHBondContact N-O 2.93Å; Y324-M341 PolarHBondContact O-N 2.97Å; Y324-K343 HydrophobicContact CE2-CB 4.32Å |
| 325 | P | 93.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | S | Bend | cis | -71.6 | 158.3 | 8.5 | 28 | -33.8 | 0 | 0 | 0 | 114.3 | F92 F243 P332 E333 N335 | F92-P325 HydrophobicContact CZ-CG 4.25Å; F243-P325 HydrophobicContact CB-CB 4.19Å; F243-P325 HydrophobicContact CB-CG 4.21Å; F243-P325 HydrophobicContact CD1-CB 4.39Å; F243-P325 HydrophobicContact CD1-CG 4.36Å; F243-P325 HydrophobicContact CD2-CB 3.75Å; F243-P325 HydrophobicContact CE2-CB 4.25Å; F243-P325 HydrophobicContact CG-CB 3.84Å; F243-P325 HydrophobicContact CG-CG 4.1Å; P325-P332 WeakPolarHBondContact O-CA 3.47Å; P325-E333 HydrophobicContact CB-CG 4.05Å; P325-E333 HydrophobicContact CG-CG 3.82Å; P325-E333 PolarHBondContact O-N 3.42Å; P325-N335 HydrophobicContact CG-CB 3.97Å |
| 326 | Q | 90.6 | Very high | 89 | Confident | 50 Ų | 50 | 41 Ų | 41 | 23% | 0.234 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -123.3 | 140.3 | 176.2 | -65.5 | -178.7 | -7.4 | 0 | 0 | 109.8 | T320 S321 I323 Y324 E331 | T320-Q326 PolarHBondContact O-NE2 2.77Å; S321-Q326 PolarHBondContact O-NE2 3.09Å; I323-Q326 WeakPolarHBondContact O-CG 3.49Å; I323-Q326 PolarHBondContact O-NE2 3.12Å; Y324-Q326 HydrophobicContact CD1-CG 3.96Å; Y324-Q326 HydrophobicContact CE1-CG 4.21Å; Y324-Q326 HydrophobicContact CG-CG 4.46Å; Q326-E331 CarbonylContact C-O 3.57Å; Q326-E331 VanDerWaalsContact CA-O 3.24Å; Q326-E331 WeakPolarHBondContact CA-O 3.36Å |
| 327 | N | 84.5 | Confident | 89.2 | Confident | 45 Ų | 45 | 37.1 Ų | 37.1 | 24% | 0.241 | 17% | 0.174 | C | C | . | . | trans | -71.7 | 178.7 | 173.4 | 70.7 | 21.1 | 0 | 0 | 0 | 111.6 | R329 G330 E331 E333 | N327-R329 PolarHBondContact O-N 3.36Å; N327-R329 WeakPolarHBondContact OD1-CA 3.45Å; N327-R329 VanDerWaalsContact OD1-CB 3.31Å; N327-R329 WeakPolarHBondContact OD1-CB 3.46Å; N327-R329 PolarHBondContact OD1-N 2.88Å; N327-G330 PolarHBondContact O-N 2.96Å; N327-G330 PolarHBondContact OD1-N 2.92Å; N327-E331 PolarHBondContact N-O 3Å; N327-E331 PolarHBondContact OD1-N 3.42Å; N327-E331 VanDerWaalsContact OD1-N 3.09Å; N327-E331 PolarHBondContact OD1-O 3.25Å; N327-E333 WeakPolarHBondContact CB-OE2 3.16Å | ||
| 328 | R | 78.9 | Confident | 89.3 | Confident | 155 Ų | 155 | 33.3 Ų | 33.3 | 59% | 0.585 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -20.3 | 177.7 | -58.5 | -176.5 | -170.8 | -150.5 | -8.2 | 115.7 | F98 E99 E102 G330 | F98-R328 VanDerWaalsContact CD1-NH2 3.34Å; F98-R328 VanDerWaalsContact CE1-NH2 3.33Å; E99-R328 IonicContact OE1-NE 3.63Å; E102-R328 IonicContact OE1-NH1 3.86Å; E102-R328 IonicContact OE2-CZ 2.67Å; E102-R328 IonicContact OE2-NH1 2.64Å; E102-R328 PolarHBondContact OE2-NH1 2.91Å; E102-R328 IonicContact OE2-NH2 3.52Å; E102-R328 PolarHBondContact OE2-NH2 3.15Å; R328-G330 VanDerWaalsContact C-N 3.32Å |
| 329 | R | 80.7 | Confident | 89.6 | Confident | 130 Ų | 130 | 33 Ų | 33 | 49% | 0.491 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 2.8 | 178.3 | -56.3 | 177.4 | 177.3 | -146.3 | -9.6 | 112.4 | K317 N327 E331 | K317-R329 PolarHBondContact NZ-O 3.34Å; K317-R329 VanDerWaalsContact NZ-O 3.16Å; N327-R329 PolarHBondContact O-N 3.36Å; N327-R329 WeakPolarHBondContact OD1-CA 3.45Å; N327-R329 VanDerWaalsContact OD1-CB 3.31Å; N327-R329 WeakPolarHBondContact OD1-CB 3.46Å; N327-R329 PolarHBondContact OD1-N 2.88Å; R329-E331 VanDerWaalsContact C-N 3.25Å; R329-E331 HydrophobicContact CB-CG 4.05Å; R329-E331 PolarHBondContact O-N 3.17Å |
| 330 | G | 82.8 | Confident | 89.8 | Confident | 23 Ų | 23 | 33 Ų | 33 | 24% | 0.237 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 62.6 | 36.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K317 N327 R328 | K317-G330 PolarHBondContact NZ-O 3.16Å; N327-G330 PolarHBondContact O-N 2.96Å; N327-G330 PolarHBondContact OD1-N 2.92Å; R328-G330 VanDerWaalsContact C-N 3.32Å |
| 331 | E | 87.3 | Confident | 90 | Very high | 84 Ų | 84 | 32.4 Ų | 32.4 | 39% | 0.393 | 15% | 0.151 | S | C | . | . | trans | -108.2 | 137.4 | 173.8 | -62.1 | 172.7 | 155.2 | 0 | 0 | 108.7 | Q326 N327 R329 | Q326-E331 CarbonylContact C-O 3.57Å; Q326-E331 VanDerWaalsContact CA-O 3.24Å; Q326-E331 WeakPolarHBondContact CA-O 3.36Å; N327-E331 PolarHBondContact N-O 3Å; N327-E331 PolarHBondContact OD1-N 3.42Å; N327-E331 VanDerWaalsContact OD1-N 3.09Å; N327-E331 PolarHBondContact OD1-O 3.25Å; R329-E331 VanDerWaalsContact C-N 3.25Å; R329-E331 HydrophobicContact CB-CG 4.05Å; R329-E331 PolarHBondContact O-N 3.17Å | ||
| 332 | P | 91.6 | Very high | 90.2 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 10% | 0.104 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -68.5 | 138.5 | -176.8 | 29.4 | -35.3 | 0 | 0 | 0 | 111.1 | M281 I282 T320 I323 P325 | M281-P332 HydrophobicContact CG-CB 3.97Å; M281-P332 HydrophobicContact CG-CG 4.46Å; I282-P332 HydrophobicContact CD1-CG 3.52Å; I282-P332 HydrophobicContact CG1-CG 4.21Å; T320-P332 HydrophobicContact CG2-CG 4.25Å; I323-P332 HydrophobicContact CB-CB 3.76Å; I323-P332 HydrophobicContact CB-CG 4.38Å; I323-P332 HydrophobicContact CG2-CB 3.59Å; P325-P332 WeakPolarHBondContact O-CA 3.47Å |
| 333 | E | 89.6 | Confident | 90.3 | Very high | 38 Ų | 38 | 31.9 Ų | 31.9 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | trans | -118.8 | 154.6 | -176.4 | 67.3 | -178 | -163.5 | 0 | 0 | 112.2 | F92 P325 N327 | F92-E333 VanDerWaalsContact CE2-OE1 3.29Å; F92-E333 WeakPolarHBondContact CE2-OE1 3.48Å; P325-E333 HydrophobicContact CB-CG 4.05Å; P325-E333 HydrophobicContact CG-CG 3.82Å; P325-E333 PolarHBondContact O-N 3.42Å; N327-E333 WeakPolarHBondContact CB-OE2 3.16Å | ||
| 334 | Y | 91.1 | Very high | 90.4 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 16% | 0.157 | 15% | 0.145 | C | C | . | . | trans | -73 | 130.8 | 174.8 | 170.7 | -108.1 | 0 | 0 | 0 | 109.6 | P279 P336 Y340 L378 | P279-Y334 HydrophobicContact CB-CD2 4.06Å; P279-Y334 HydrophobicContact CB-CE2 3.69Å; P279-Y334 HydrophobicContact CG-CD1 4.4Å; P279-Y334 HydrophobicContact CG-CD2 4.31Å; P279-Y334 HydrophobicContact CG-CE1 3.77Å; P279-Y334 HydrophobicContact CG-CE2 3.68Å; P279-Y334 WeakPolarHBondContact CG-OH 3.5Å; Y334-P336 HydrophobicContact CE1-CB 3.88Å; Y334-Y340 WeakPolarHBondContact CD2-OH 3.33Å; Y334-Y340 WeakPolarHBondContact CE2-OH 3.43Å; Y334-L378 HydrophobicContact CD2-CD1 3.78Å; Y334-L378 HydrophobicContact CE2-CD1 3.84Å | ||
| 335 | N | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -108.2 | 108.7 | 175.8 | -176.3 | 4.5 | 0 | 0 | 0 | 110.8 | F92 F243 P325 C337 G338 K339 Y340 | F92-N335 VanDerWaalsContact CE1-OD1 3.28Å; F92-N335 WeakPolarHBondContact CE1-OD1 3.24Å; F92-N335 HydrophobicContact CZ-CB 4.29Å; F243-N335 PolarHBondContact O-ND2 2.86Å; P325-N335 HydrophobicContact CG-CB 3.97Å; N335-C337 PolarHBondContact O-N 3.48Å; N335-C337 WeakPolarHBondContact OD1-CA 2.94Å; N335-C337 WeakPolarHBondContact OD1-CB 3.2Å; N335-C337 PolarHBondContact OD1-N 2.9Å; N335-C337 PolarHBondContact OD1-SG 3.16Å; N335-C337 VanDerWaalsContact OD1-SG 3.33Å; N335-G338 PolarHBondContact O-N 2.96Å; N335-K339 PolarHBondContact ND2-N 3.14Å; N335-K339 PolarHBondContact ND2-O 3.04Å; N335-Y340 HydrophobicContact CB-CE1 4.03Å; N335-Y340 HydrophobicContact CB-CE2 4.39Å; N335-Y340 PolarHBondContact N-OH 3.09Å; N335-Y340 PolarHBondContact O-OH 3.42Å | ||
| 336 | P | 87.8 | Confident | 90.5 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 8% | 0.078 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -9.4 | 175.9 | 29.8 | -35.9 | 0 | 0 | 0 | 113.5 | R89 F92 Y334 G338 | R89-P336 HydrophobicContact CB-CB 4.49Å; R89-P336 HydrophobicContact CB-CG 4.48Å; F92-P336 HydrophobicContact CB-CG 3.67Å; F92-P336 HydrophobicContact CD2-CG 4.45Å; F92-P336 HydrophobicContact CG-CG 4.02Å; Y334-P336 HydrophobicContact CE1-CB 3.88Å; P336-G338 VanDerWaalsContact C-N 3.25Å |
| 337 | C | 89.8 | Confident | 90.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -9.8 | 169.7 | -45.4 | 0 | 0 | 0 | 0 | 111.7 | R89 F243 F245 P248 F249 N335 K339 | R89-C337 VanDerWaalsContact CG-SG 3.53Å; F243-C337 WeakPolarHBondContact O-CB 3.35Å; F245-C337 HydrophobicContact CB-CB 4.49Å; F245-C337 PolarHBondContact N-SG 2.85Å; F245-C337 VanDerWaalsContact N-SG 3.37Å; F245-C337 PolarHBondContact O-SG 3.36Å; F245-C337 VanDerWaalsContact O-SG 3.33Å; P248-C337 CarbonylContact C-O 3.52Å; P248-C337 WeakPolarHBondContact CA-O 3.41Å; F249-C337 WeakPolarHBondContact CB-O 3.41Å; F249-C337 PolarHBondContact N-O 2.86Å; N335-C337 PolarHBondContact O-N 3.48Å; N335-C337 WeakPolarHBondContact OD1-CA 2.94Å; N335-C337 WeakPolarHBondContact OD1-CB 3.2Å; N335-C337 PolarHBondContact OD1-N 2.9Å; N335-C337 PolarHBondContact OD1-SG 3.16Å; N335-C337 VanDerWaalsContact OD1-SG 3.33Å; C337-K339 VanDerWaalsContact C-N 3.33Å; C337-K339 PolarHBondContact O-N 3.01Å |
| 338 | G | 91.5 | Very high | 91 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | 71.1 | 19 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N335 P336 D356 D357 | N335-G338 PolarHBondContact O-N 2.96Å; P336-G338 VanDerWaalsContact C-N 3.25Å; G338-D356 CarbonylContact O-C 3.53Å; G338-D356 VanDerWaalsContact O-CA 3.25Å; G338-D356 WeakPolarHBondContact O-CA 3.46Å; G338-D357 VanDerWaalsContact CA-CG 3.43Å; G338-D357 WeakPolarHBondContact CA-OD2 3.48Å; G338-D357 PolarHBondContact O-N 2.99Å | ||
| 339 | K | 94.7 | Very high | 91.7 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 5% | 0.052 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.6 | 171.3 | -171.3 | -179.2 | 176.7 | -173 | 0 | 110.1 | E241 R242 F243 F245 F249 N335 C337 I354 | E241-K339 IonicContact OE1-NZ 2.92Å; E241-K339 PolarHBondContact OE1-NZ 2.89Å; R242-K339 WeakPolarHBondContact O-CD 3.14Å; R242-K339 PolarHBondContact O-NZ 3.31Å; F243-K339 HydrophobicContact CD1-CB 4.36Å; F243-K339 HydrophobicContact CD1-CD 4.27Å; F243-K339 HydrophobicContact CD1-CG 4.13Å; F243-K339 WeakPolarHBondContact CD1-O 3.25Å; F245-K339 HydrophobicContact CD2-CD 4.48Å; F245-K339 HydrophobicContact CE2-CD 3.56Å; F245-K339 HydrophobicContact CZ-CD 4.23Å; F249-K339 HydrophobicContact CB-CB 3.65Å; F249-K339 HydrophobicContact CB-CG 4.38Å; F249-K339 HydrophobicContact CD1-CB 3.75Å; F249-K339 HydrophobicContact CD1-CD 4.47Å; F249-K339 HydrophobicContact CD1-CG 3.74Å; F249-K339 HydrophobicContact CD2-CB 4.24Å; F249-K339 HydrophobicContact CD2-CD 3.89Å; F249-K339 HydrophobicContact CD2-CG 4.06Å; F249-K339 HydrophobicContact CE1-CB 4.48Å; F249-K339 HydrophobicContact CE1-CG 3.98Å; F249-K339 HydrophobicContact CE2-CD 4.04Å; F249-K339 HydrophobicContact CE2-CG 4.27Å; F249-K339 HydrophobicContact CG-CB 3.61Å; F249-K339 HydrophobicContact CG-CD 4.12Å; F249-K339 HydrophobicContact CG-CG 3.79Å; F249-K339 HydrophobicContact CZ-CD 4.4Å; F249-K339 HydrophobicContact CZ-CG 4.24Å; N335-K339 PolarHBondContact ND2-N 3.14Å; N335-K339 PolarHBondContact ND2-O 3.04Å; C337-K339 VanDerWaalsContact C-N 3.33Å; C337-K339 PolarHBondContact O-N 3.01Å; K339-I354 HydrophobicContact CG-CG2 4.25Å |
| 340 | Y | 95.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 154.8 | 174.7 | -63.6 | -90.6 | 0 | 0 | 0 | 110.6 | M281 Y324 Y334 N335 I354 I355 D357 L382 | M281-Y340 HydrophobicContact CE-CD1 4.49Å; M281-Y340 HydrophobicContact SD-CD1 4.27Å; M281-Y340 HydrophobicContact SD-CE1 3.77Å; Y324-Y340 WeakPolarHBondContact O-CA 3.24Å; Y334-Y340 WeakPolarHBondContact CD2-OH 3.33Å; Y334-Y340 WeakPolarHBondContact CE2-OH 3.43Å; N335-Y340 HydrophobicContact CB-CE1 4.03Å; N335-Y340 HydrophobicContact CB-CE2 4.39Å; N335-Y340 PolarHBondContact N-OH 3.09Å; N335-Y340 PolarHBondContact O-OH 3.42Å; Y340-I354 WeakPolarHBondContact O-CA 3.36Å; Y340-I355 PolarHBondContact N-O 2.92Å; Y340-I355 PolarHBondContact O-N 2.83Å; Y340-D357 HydrophobicContact CD2-CB 4.15Å; Y340-D357 HydrophobicContact CE2-CB 3.78Å; Y340-L382 HydrophobicContact CD1-CD1 3.99Å; Y340-L382 HydrophobicContact CD2-CD1 3.81Å; Y340-L382 HydrophobicContact CD2-CD2 4.45Å; Y340-L382 HydrophobicContact CE1-CD1 3.98Å; Y340-L382 HydrophobicContact CE2-CD1 3.84Å; Y340-L382 HydrophobicContact CG-CD1 3.9Å |
| 341 | M | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131 | 172 | 172.6 | -178.1 | 71.7 | 0 | 0 | 109 | F234 F243 Y324 K352 V353 | F234-M341 HydrophobicContact CE2-CE 3.68Å; F234-M341 HydrophobicContact CE2-SD 4.04Å; F234-M341 HydrophobicContact CZ-CE 4.32Å; F243-M341 HydrophobicContact CE1-CB 3.85Å; F243-M341 HydrophobicContact CZ-CB 3.82Å; F243-M341 HydrophobicContact CZ-CE 4.13Å; Y324-M341 HydrophobicContact CD1-CE 3.92Å; Y324-M341 HydrophobicContact CD2-CE 3.62Å; Y324-M341 HydrophobicContact CE1-CE 4.47Å; Y324-M341 HydrophobicContact CE2-CE 4.24Å; Y324-M341 HydrophobicContact CG-CE 3.48Å; Y324-M341 VanDerWaalsContact CG-CE 3.48Å; Y324-M341 PolarHBondContact N-O 2.93Å; Y324-M341 PolarHBondContact O-N 2.97Å; M341-K352 HydrophobicContact CG-CB 4.24Å; M341-K352 HydrophobicContact SD-CB 3.9Å; M341-K352 HydrophobicContact SD-CD 4.29Å; M341-V353 CarbonylContact C-O 3.54Å; M341-V353 WeakPolarHBondContact CA-O 3.26Å |
| 342 | V | 96.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.012 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | I322 L344 V353 I355 I383 A386 | I322-V342 HydrophobicContact CD1-CG1 4.29Å; I322-V342 CarbonylContact O-C 3.45Å; I322-V342 VanDerWaalsContact O-CA 3.31Å; I322-V342 WeakPolarHBondContact O-CA 3.33Å; V342-L344 HydrophobicContact CG1-CD2 3.85Å; V342-L344 HydrophobicContact CG1-CG 4Å; V342-V353 PolarHBondContact N-O 3.33Å; V342-V353 WeakPolarHBondContact O-CB 3.42Å; V342-V353 PolarHBondContact O-N 2.82Å; V342-I355 HydrophobicContact CG2-CD1 4.45Å; V342-I383 HydrophobicContact CG1-CG1 4.41Å; V342-A386 HydrophobicContact CB-CB 3.64Å; V342-A386 HydrophobicContact CG1-CB 4.15Å; V342-A386 HydrophobicContact CG2-CB 3.6Å |
| 343 | K | 95.6 | Very high | 93.4 | Very high | 34 Ų | 34 | 12.8 Ų | 12.8 | 15% | 0.148 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 110.2 | 176 | -175.4 | 177.3 | 69.3 | 177.6 | 0 | 109.5 | F234 I322 Y324 P350 | F234-K343 HydrophobicContact CB-CD 4.49Å; F234-K343 HydrophobicContact CB-CG 4.46Å; F234-K343 HydrophobicContact CD1-CD 3.98Å; F234-K343 HydrophobicContact CD2-CB 4.42Å; F234-K343 HydrophobicContact CD2-CD 4.09Å; F234-K343 HydrophobicContact CD2-CG 4.07Å; F234-K343 HydrophobicContact CE1-CD 4.22Å; F234-K343 HydrophobicContact CE2-CD 4.32Å; F234-K343 HydrophobicContact CG-CD 3.92Å; F234-K343 HydrophobicContact CG-CG 4.17Å; F234-K343 HydrophobicContact CZ-CD 4.39Å; I322-K343 HydrophobicContact CB-CB 4.29Å; I322-K343 WeakPolarHBondContact CB-O 3.47Å; I322-K343 PolarHBondContact O-N 2.84Å; Y324-K343 HydrophobicContact CE2-CB 4.32Å; K343-P350 HydrophobicContact CD-CB 4.2Å; K343-P350 HydrophobicContact CG-CB 4.08Å |
| 344 | L | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.3 | 179.3 | -62.4 | 179.1 | 0 | 0 | 0 | 110.8 | V342 I346 P350 R351 V353 A386 Y387 V390 A407 L408 | V342-L344 HydrophobicContact CG1-CD2 3.85Å; V342-L344 HydrophobicContact CG1-CG 4Å; L344-I346 HydrophobicContact CB-CD1 4.36Å; L344-I346 HydrophobicContact CB-CG1 3.97Å; L344-I346 PolarHBondContact O-N 3.26Å; L344-P350 CarbonylContact O-C 3.57Å; L344-P350 WeakPolarHBondContact O-CA 3.43Å; L344-R351 PolarHBondContact N-O 3.21Å; L344-R351 PolarHBondContact O-N 3.36Å; L344-V353 HydrophobicContact CD1-CG2 4.11Å; L344-V353 HydrophobicContact CG-CG2 4.4Å; L344-A386 HydrophobicContact CD1-CB 4.48Å; L344-Y387 HydrophobicContact CD1-CD2 4.18Å; L344-V390 HydrophobicContact CD1-CG2 4.43Å; L344-A407 CarbonylContact C-O 3.48Å; L344-A407 WeakPolarHBondContact CA-O 3.38Å; L344-L408 HydrophobicContact CD2-CD2 4.13Å |
| 345 | H | 95.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 11 Ų | 11 | 13% | 0.134 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 94.8 | 179.3 | -170.7 | -63.6 | 0 | 0 | 0 | 111.2 | G348 V349 H406 A407 | H345-G348 PolarHBondContact CE1-O 3.26Å; H345-V349 CarbonylContact C-O 3.19Å; H345-V349 WeakPolarHBondContact CA-O 3.42Å; H345-H406 WeakPolarHBondContact CB-O 3.16Å; H345-H406 AromaticContact CE1-CE1 3.62Å; H345-H406 AromaticContact CE1-NE2 3.28Å; H345-H406 PolarHBondContact CE1-NE2 2.94Å; H345-H406 VanDerWaalsContact CE1-NE2 3.28Å; H345-H406 AromaticContact ND1-CD2 3.82Å; H345-H406 AromaticContact ND1-CE1 3.69Å; H345-H406 AromaticContact ND1-NE2 3.15Å; H345-H406 PolarHBondContact ND1-NE2 3.27Å; H345-H406 VanDerWaalsContact ND1-NE2 3.15Å; H345-A407 PolarHBondContact N-O 3.34Å; H345-A407 WeakPolarHBondContact O-CA 3.48Å |
| 346 | I | 94.3 | Very high | 94.1 | Very high | 16 Ų | 16 | 11.1 Ų | 11.1 | 8% | 0.082 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.6 | -172.1 | -54.3 | -65 | 0 | 0 | 0 | 109.8 | I226 L344 G348 V349 R351 V390 A407 | I226-I346 HydrophobicContact CD1-CG2 3.61Å; L344-I346 HydrophobicContact CB-CD1 4.36Å; L344-I346 HydrophobicContact CB-CG1 3.97Å; L344-I346 PolarHBondContact O-N 3.26Å; I346-G348 VanDerWaalsContact C-N 3.29Å; I346-G348 PolarHBondContact O-N 3.44Å; I346-V349 PolarHBondContact N-O 3.04Å; I346-V349 PolarHBondContact O-N 2.78Å; I346-R351 PolarHBondContact O-NE 3.45Å; I346-V390 HydrophobicContact CD1-CG1 4.43Å; I346-V390 HydrophobicContact CG1-CG1 4.34Å; I346-V390 HydrophobicContact CG2-CG1 4.33Å; I346-A407 HydrophobicContact CD1-CB 3.68Å |
| 347 | N | 93.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 10.6 Ų | 10.6 | 5% | 0.048 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 46 | -179.9 | -63.8 | -13.6 | 0 | 0 | 0 | 112.2 | T223 V349 H604 I605 | T223-N347 PolarHBondContact O-ND2 3.42Å; T223-N347 VanDerWaalsContact O-ND2 3.12Å; N347-V349 VanDerWaalsContact C-N 3.32Å; N347-V349 PolarHBondContact O-N 3.25Å; N347-H604 HydrophobicContact CB-CB 4.02Å; N347-H604 PolarHBondContact O-NE2 2.79Å; N347-H604 VanDerWaalsContact OD1-CA 3.24Å; N347-H604 WeakPolarHBondContact OD1-CA 3.46Å; N347-I605 PolarHBondContact ND2-O 2.79Å; N347-I605 PolarHBondContact OD1-N 3.45Å; N347-I605 PolarHBondContact OD1-O 3.15Å |
| 348 | G | 91.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -2.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | H345 I346 R682 | H345-G348 PolarHBondContact CE1-O 3.26Å; I346-G348 VanDerWaalsContact C-N 3.29Å; I346-G348 PolarHBondContact O-N 3.44Å; G348-R682 PolarHBondContact O-NH2 3.16Å; G348-R682 VanDerWaalsContact O-NH2 3.09Å |
| 349 | V | 93.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.012 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 153.5 | -177.9 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | L220 P233 H345 I346 N347 R351 H559 | L220-V349 HydrophobicContact CD1-CG1 4.37Å; L220-V349 HydrophobicContact CD2-CG1 3.97Å; L220-V349 HydrophobicContact CD2-CG2 4Å; P233-V349 HydrophobicContact CB-CG2 4.39Å; P233-V349 HydrophobicContact CG-CG2 4.34Å; H345-V349 CarbonylContact C-O 3.19Å; H345-V349 WeakPolarHBondContact CA-O 3.42Å; I346-V349 PolarHBondContact N-O 3.04Å; I346-V349 PolarHBondContact O-N 2.78Å; N347-V349 VanDerWaalsContact C-N 3.32Å; N347-V349 PolarHBondContact O-N 3.25Å; V349-R351 HydrophobicContact CG2-CG 4.03Å; V349-H559 VanDerWaalsContact CG1-CE1 3.46Å; V349-H559 WeakPolarHBondContact CG1-CE1 3.35Å |
| 350 | P | 94.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 12.6 Ų | 12.6 | 21% | 0.208 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 136.7 | 166.8 | 28.6 | -34 | 0 | 0 | 0 | 110.1 | P233 F234 K343 L344 | P233-P350 CarbonylContact C-O 3.51Å; P233-P350 WeakPolarHBondContact CA-O 3.29Å; F234-P350 HydrophobicContact CB-CB 4.13Å; F234-P350 HydrophobicContact CB-CG 4.43Å; F234-P350 PolarHBondContact N-O 2.64Å; K343-P350 HydrophobicContact CD-CB 4.2Å; K343-P350 HydrophobicContact CG-CB 4.08Å; L344-P350 CarbonylContact O-C 3.57Å; L344-P350 WeakPolarHBondContact O-CA 3.43Å |
| 351 | R | 94.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 0% | 0.004 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.9 | 180 | -63.2 | -174 | -179.1 | -97.8 | 2.8 | 110.2 | S224 Y231 V232 L344 I346 V349 | S224-R351 PolarHBondContact OG-NH1 2.92Å; Y231-R351 WeakPolarHBondContact O-CD 3.42Å; Y231-R351 PolarHBondContact O-NH1 3.03Å; V232-R351 WeakPolarHBondContact O-CA 3.01Å; L344-R351 PolarHBondContact N-O 3.21Å; L344-R351 PolarHBondContact O-N 3.36Å; I346-R351 PolarHBondContact O-NE 3.45Å; V349-R351 HydrophobicContact CG2-CG 4.03Å |
| 352 | K | 93.5 | Very high | 94.6 | Very high | 39 Ų | 39 | 13.6 Ų | 13.6 | 17% | 0.17 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.1 | 176 | 76.2 | 178.2 | -177.1 | 176.9 | 0 | 111.2 | V232 F234 D238 E241 M341 | V232-K352 HydrophobicContact CG2-CD 4.32Å; V232-K352 HydrophobicContact CG2-CG 4.14Å; V232-K352 PolarHBondContact O-N 2.86Å; F234-K352 HydrophobicContact CD2-CB 4.01Å; D238-K352 HydrophobicContact CB-CD 4.25Å; D238-K352 WeakPolarHBondContact OD1-CD 3.46Å; D238-K352 WeakPolarHBondContact OD1-CE 3.39Å; D238-K352 IonicContact OD1-NZ 2.61Å; D238-K352 PolarHBondContact OD1-NZ 2.94Å; E241-K352 IonicContact OE2-NZ 3.61Å; E241-K352 PolarHBondContact OE2-NZ 3.35Å; E241-K352 VanDerWaalsContact OE2-NZ 3.11Å; M341-K352 HydrophobicContact CG-CB 4.24Å; M341-K352 HydrophobicContact SD-CB 3.9Å; M341-K352 HydrophobicContact SD-CD 4.29Å |
| 353 | V | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 105.5 | 175.5 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | Y231 M341 V342 L344 I355 A386 K389 V390 | Y231-V353 HydrophobicContact CD1-CG1 4.45Å; Y231-V353 HydrophobicContact CD1-CG2 4.03Å; Y231-V353 HydrophobicContact CE1-CG1 4.07Å; Y231-V353 HydrophobicContact CE1-CG2 4.38Å; M341-V353 CarbonylContact C-O 3.54Å; M341-V353 WeakPolarHBondContact CA-O 3.26Å; V342-V353 PolarHBondContact N-O 3.33Å; V342-V353 WeakPolarHBondContact O-CB 3.42Å; V342-V353 PolarHBondContact O-N 2.82Å; L344-V353 HydrophobicContact CD1-CG2 4.11Å; L344-V353 HydrophobicContact CG-CG2 4.4Å; V353-I355 HydrophobicContact CG1-CG2 4.16Å; V353-A386 HydrophobicContact CB-CB 4.33Å; V353-A386 HydrophobicContact CG1-CB 3.89Å; V353-K389 HydrophobicContact CG1-CD 4.33Å; V353-V390 HydrophobicContact CG1-CG2 4.15Å; V353-V390 HydrophobicContact CG2-CG2 3.61Å |
| 354 | I | 95.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 27.9 Ų | 27.9 | 21% | 0.205 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.6 | 175.8 | -60.8 | 175.3 | 0 | 0 | 0 | 108.5 | F249 K339 Y340 K389 | F249-I354 HydrophobicContact CE1-CG2 3.94Å; F249-I354 HydrophobicContact CZ-CG2 3.76Å; K339-I354 HydrophobicContact CG-CG2 4.25Å; Y340-I354 WeakPolarHBondContact O-CA 3.36Å; I354-K389 PolarHBondContact O-NZ 2.9Å |
| 355 | I | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 153.1 | 176.7 | 61.7 | 175.1 | 0 | 0 | 0 | 110.7 | Y340 V342 V353 L382 K385 A386 K389 | Y340-I355 PolarHBondContact N-O 2.92Å; Y340-I355 PolarHBondContact O-N 2.83Å; V342-I355 HydrophobicContact CG2-CD1 4.45Å; V353-I355 HydrophobicContact CG1-CG2 4.16Å; I355-L382 HydrophobicContact CD1-CB 4.03Å; I355-L382 HydrophobicContact CD1-CD2 3.98Å; I355-L382 WeakPolarHBondContact CD1-O 3.37Å; I355-K385 HydrophobicContact CD1-CB 4.42Å; I355-K385 HydrophobicContact CD1-CD 4.39Å; I355-A386 HydrophobicContact CD1-CB 4.23Å; I355-A386 HydrophobicContact CG2-CB 4.08Å; I355-K389 HydrophobicContact CG2-CD 3.99Å |
| 356 | D | 95.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 174.9 | 158 | 71.4 | 31.5 | 0 | 0 | 0 | 111.2 | F249 D251 K255 G338 Y358 K385 | F249-D356 HydrophobicContact CD1-CB 3.86Å; F249-D356 HydrophobicContact CE1-CB 4.2Å; D251-D356 HydrophobicContact CB-CB 4.09Å; D251-D356 WeakPolarHBondContact CB-OD2 3.48Å; D251-D356 PolarHBondContact N-OD2 3.09Å; K255-D356 IonicContact NZ-OD1 2.77Å; K255-D356 IonicContact NZ-OD2 3.79Å; K255-D356 PolarHBondContact NZ-OD2 3.48Å; G338-D356 CarbonylContact O-C 3.53Å; G338-D356 VanDerWaalsContact O-CA 3.25Å; G338-D356 WeakPolarHBondContact O-CA 3.46Å; D356-Y358 HydrophobicContact CB-CD2 4.4Å; D356-Y358 PolarHBondContact OD1-N 2.74Å; D356-K385 VanDerWaalsContact C-NZ 3.35Å; D356-K385 WeakPolarHBondContact O-CE 3.5Å; D356-K385 PolarHBondContact O-NZ 2.8Å; D356-K385 IonicContact OD1-NZ 2.67Å; D356-K385 PolarHBondContact OD1-NZ 3.38Å |
| 357 | D | 94.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | trans | -101.2 | 13.1 | -178.2 | 66.9 | -6.7 | 0 | 0 | 0 | 114.7 | R271 P272 G338 Y340 L359 L382 | R271-D357 IonicContact CZ-OD1 3.89Å; R271-D357 IonicContact NE-OD1 2.77Å; R271-D357 IonicContact NH1-OD1 3.82Å; R271-D357 PolarHBondContact NH1-OD1 2.83Å; P272-D357 WeakPolarHBondContact CD-O 3.28Å; P272-D357 WeakPolarHBondContact CD-OD2 3.44Å; P272-D357 HydrophobicContact CG-CB 4.21Å; G338-D357 VanDerWaalsContact CA-CG 3.43Å; G338-D357 WeakPolarHBondContact CA-OD2 3.48Å; G338-D357 PolarHBondContact O-N 2.99Å; Y340-D357 HydrophobicContact CD2-CB 4.15Å; Y340-D357 HydrophobicContact CE2-CB 3.78Å; D357-L359 PolarHBondContact O-N 2.85Å; D357-L382 HydrophobicContact CB-CD2 4.22Å | ||
| 358 | Y | 95.2 | Very high | 92.3 | Very high | 51 Ų | 51 | 30.5 Ų | 30.5 | 20% | 0.2 | 15% | 0.147 | C | C | . | . | trans | -68 | 126.5 | 174.5 | -79.2 | -83.8 | 0 | 0 | 0 | 111.6 | K255 W269 V270 R271 D356 K385 | K255-Y358 VanDerWaalsContact NZ-CB 3.33Å; K255-Y358 VanDerWaalsContact NZ-CE2 3.27Å; W269-Y358 HydrophobicContact CB-CD1 4.03Å; W269-Y358 WeakPolarHBondContact CZ3-O 3.46Å; V270-Y358 CarbonylContact O-C 3.55Å; V270-Y358 WeakPolarHBondContact O-CA 3.46Å; R271-Y358 HydrophobicContact CG-CD1 3.91Å; R271-Y358 HydrophobicContact CG-CD2 4.4Å; R271-Y358 HydrophobicContact CG-CE1 3.71Å; R271-Y358 HydrophobicContact CG-CE2 4.34Å; R271-Y358 HydrophobicContact CG-CG 4.26Å; R271-Y358 PolarHBondContact NE-OH 2.92Å; D356-Y358 HydrophobicContact CB-CD2 4.4Å; D356-Y358 PolarHBondContact OD1-N 2.74Å; Y358-K385 PolarHBondContact O-NZ 2.88Å | ||
| 359 | L | 94.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144.6 | 178 | -59.4 | 176.1 | 0 | 0 | 0 | 110.8 | W269 V270 D357 L367 K385 | W269-L359 WeakPolarHBondContact CA-O 3.38Å; W269-L359 VanDerWaalsContact CE3-C 3.5Å; V270-L359 PolarHBondContact N-O 3.38Å; V270-L359 PolarHBondContact O-N 3.31Å; D357-L359 PolarHBondContact O-N 2.85Å; L359-L367 HydrophobicContact CB-CD2 3.63Å; L359-L367 HydrophobicContact CD1-CD1 4.49Å; L359-L367 HydrophobicContact CD1-CD2 3.88Å; L359-L367 HydrophobicContact CG-CD2 4.41Å; L359-K385 HydrophobicContact CD2-CD 4.26Å |
| 360 | P | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 134.8 | 179 | 31 | -29.5 | 0 | 0 | 0 | 110.5 | L258 F266 W269 L368 Y394 | L258-P360 HydrophobicContact CD2-CB 3.99Å; L258-P360 HydrophobicContact CD2-CG 4.1Å; F266-P360 HydrophobicContact CD2-CB 4.08Å; F266-P360 HydrophobicContact CE2-CB 4.02Å; W269-P360 HydrophobicContact CD2-CB 4.36Å; W269-P360 HydrophobicContact CE3-CB 4.21Å; W269-P360 HydrophobicContact CH2-CB 4.15Å; W269-P360 HydrophobicContact CH2-CG 4.1Å; W269-P360 HydrophobicContact CZ2-CB 4.27Å; W269-P360 HydrophobicContact CZ3-CB 4.13Å; W269-P360 VanDerWaalsContact CZ3-CD 3.48Å; W269-P360 HydrophobicContact CZ3-CG 4.04Å; P360-L368 HydrophobicContact CB-CB 4.19Å; P360-L368 HydrophobicContact CB-CD1 4.47Å; P360-L368 HydrophobicContact CG-CB 4.07Å; P360-L368 PolarHBondContact O-N 3.4Å; P360-Y394 HydrophobicContact CG-CE2 4.27Å |
| 361 | V | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 155.6 | 176 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | S267 R268 V270 E366 L367 | S267-V361 PolarHBondContact N-O 3.38Å; R268-V361 HydrophobicContact CG-CG2 3.94Å; R268-V361 WeakPolarHBondContact O-CG2 3.44Å; R268-V361 PolarHBondContact O-N 3.26Å; V270-V361 HydrophobicContact CG1-CG2 3.77Å; V270-V361 HydrophobicContact CG2-CB 4.42Å; V270-V361 HydrophobicContact CG2-CG1 3.52Å; V270-V361 HydrophobicContact CG2-CG2 4.01Å; V361-E366 CarbonylContact C-O 3.48Å; V361-E366 WeakPolarHBondContact CA-O 3.35Å; V361-E366 WeakPolarHBondContact CB-O 3.4Å; V361-L367 HydrophobicContact CG1-CD2 3.86Å |
| 362 | D | 91.4 | Very high | 91.3 | Very high | 23 Ų | 23 | 31.6 Ų | 31.6 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -176.1 | 170.9 | 86.1 | -12.9 | 0 | 0 | 0 | 112.2 | I265 S267 N364 G365 E366 L368 | I265-D362 VanDerWaalsContact O-CA 3.32Å; I265-D362 WeakPolarHBondContact O-CA 3.44Å; S267-D362 VanDerWaalsContact CB-C 3.5Å; S267-D362 VanDerWaalsContact CB-O 3.31Å; S267-D362 WeakPolarHBondContact CB-O 3.44Å; D362-N364 PolarHBondContact O-N 3.2Å; D362-N364 VanDerWaalsContact OD1-CA 3.28Å; D362-N364 WeakPolarHBondContact OD1-CA 3.17Å; D362-N364 WeakPolarHBondContact OD1-CB 3.34Å; D362-N364 PolarHBondContact OD1-N 3.44Å; D362-N364 PolarHBondContact OD2-ND2 3.1Å; D362-G365 PolarHBondContact O-N 3.27Å; D362-G365 PolarHBondContact OD1-N 2.93Å; D362-E366 PolarHBondContact N-O 3.12Å; D362-E366 PolarHBondContact OD1-N 3.13Å; D362-L368 HydrophobicContact CB-CD2 3.93Å; D362-L368 HydrophobicContact CB-CG 4.43Å |
| 363 | R | 87.4 | Confident | 90.5 | Very high | 202 Ų | 202 | 32.5 Ų | 32.5 | 76% | 0.762 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -20.7 | 178.9 | -60.7 | -179.3 | -173.8 | -178.7 | 2.2 | 113.8 | ||
| 364 | N | 85.3 | Confident | 89.6 | Confident | 134 Ų | 134 | 33.4 Ų | 33.4 | 72% | 0.717 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -5.4 | 177.8 | -53 | -50.8 | 0 | 0 | 0 | 112 | D362 E366 | D362-N364 PolarHBondContact O-N 3.2Å; D362-N364 VanDerWaalsContact OD1-CA 3.28Å; D362-N364 WeakPolarHBondContact OD1-CA 3.17Å; D362-N364 WeakPolarHBondContact OD1-CB 3.34Å; D362-N364 PolarHBondContact OD1-N 3.44Å; D362-N364 PolarHBondContact OD2-ND2 3.1Å; N364-E366 HydrophobicContact CB-CG 4.43Å |
| 365 | G | 82.9 | Confident | 88.7 | Confident | 21 Ų | 21 | 38.8 Ų | 38.8 | 22% | 0.216 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 84.4 | 13.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D362 | D362-G365 PolarHBondContact O-N 3.27Å; D362-G365 PolarHBondContact OD1-N 2.93Å |
| 366 | E | 86.6 | Confident | 88 | Confident | 56 Ų | 56 | 40.1 Ų | 40.1 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | trans | -82 | 140.8 | 175.1 | -64.1 | -59.4 | 132.8 | 0 | 0 | 111.1 | V361 D362 N364 R375 | V361-E366 CarbonylContact C-O 3.48Å; V361-E366 WeakPolarHBondContact CA-O 3.35Å; V361-E366 WeakPolarHBondContact CB-O 3.4Å; D362-E366 PolarHBondContact N-O 3.12Å; D362-E366 PolarHBondContact OD1-N 3.13Å; N364-E366 HydrophobicContact CB-CG 4.43Å; E366-R375 IonicContact OE1-CZ 3.43Å; E366-R375 IonicContact OE1-NH1 2.7Å; E366-R375 PolarHBondContact OE1-NH1 3.12Å; E366-R375 IonicContact OE1-NH2 2.76Å; E366-R375 PolarHBondContact OE1-NH2 3.29Å; E366-R375 IonicContact OE2-CZ 2.77Å; E366-R375 IonicContact OE2-NH1 3.22Å; E366-R375 PolarHBondContact OE2-NH1 2.63Å; E366-R375 IonicContact OE2-NH2 3.67Å; E366-R375 PolarHBondContact OE2-NH2 2.9Å | ||
| 367 | L | 90.3 | Very high | 87.7 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 15% | 0.152 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -67.9 | 135.1 | 179.1 | -70.8 | 169.9 | 0 | 0 | 0 | 111.2 | I275 L359 V361 Y371 | I275-L367 HydrophobicContact CD1-CD2 4.08Å; L359-L367 HydrophobicContact CB-CD2 3.63Å; L359-L367 HydrophobicContact CD1-CD1 4.49Å; L359-L367 HydrophobicContact CD1-CD2 3.88Å; L359-L367 HydrophobicContact CG-CD2 4.41Å; V361-L367 HydrophobicContact CG1-CD2 3.86Å; L367-Y371 HydrophobicContact CB-CD1 3.86Å; L367-Y371 HydrophobicContact CB-CG 4.49Å; L367-Y371 HydrophobicContact CD1-CG 4.38Å |
| 368 | L | 90.6 | Very high | 87.5 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -92.5 | 0.9 | 175.7 | -62.4 | -177.9 | 0 | 0 | 0 | 113.6 | Q262 I265 F266 T293 P360 D362 | Q262-L368 HydrophobicContact CG-CB 4.39Å; Q262-L368 PolarHBondContact NE2-O 3.43Å; I265-L368 HydrophobicContact CD1-CD2 3.37Å; I265-L368 HydrophobicContact CG1-CD1 4.22Å; I265-L368 HydrophobicContact CG1-CD2 3.74Å; F266-L368 HydrophobicContact CB-CD1 4.06Å; F266-L368 HydrophobicContact CD2-CD1 4.17Å; T293-L368 PolarHBondContact OG1-O 3.37Å; P360-L368 HydrophobicContact CB-CB 4.19Å; P360-L368 HydrophobicContact CB-CD1 4.47Å; P360-L368 HydrophobicContact CG-CB 4.07Å; P360-L368 PolarHBondContact O-N 3.4Å; D362-L368 HydrophobicContact CB-CD2 3.93Å; D362-L368 HydrophobicContact CB-CG 4.43Å |
| 369 | C | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -101.7 | 170.1 | 169.6 | 50.8 | 0 | 0 | 0 | 0 | 109.5 | T293 E384 Y394 | T293-C369 WeakPolarHBondContact CG2-O 3.17Å; T293-C369 VanDerWaalsContact OG1-C 3.27Å; T293-C369 PolarHBondContact OG1-O 2.96Å; C369-E384 WeakPolarHBondContact CA-OE2 3.43Å; C369-E384 WeakPolarHBondContact CB-OE2 3.41Å; C369-Y394 HydrophobicContact CB-CE1 4.01Å |
| 370 | S | 90.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | trans | -66.1 | 142.4 | 170.6 | -60.8 | 0 | 0 | 0 | 0 | 109.9 | K291 V301 S381 E384 | K291-S370 WeakPolarHBondContact O-CA 3.5Å; V301-S370 VanDerWaalsContact CG2-OG 3.25Å; V301-S370 WeakPolarHBondContact CG2-OG 3.42Å; S370-S381 WeakPolarHBondContact O-CA 3.34Å; S370-S381 WeakPolarHBondContact O-CB 3.42Å; S370-S381 PolarHBondContact O-OG 3.4Å; S370-E384 WeakPolarHBondContact CB-OE1 3.47Å; S370-E384 PolarHBondContact N-OE1 3.21Å; S370-E384 PolarHBondContact N-OE2 3.03Å; S370-E384 PolarHBondContact OG-OE1 2.9Å | ||
| 371 | Y | 87.2 | Confident | 87.2 | Confident | 56 Ų | 56 | 38 Ų | 38 | 22% | 0.22 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 165 | -172.7 | 63.3 | -109.1 | 0 | 0 | 0 | 112.1 | K291 T293 L367 | K291-Y371 HydrophobicContact CB-CD2 4.45Å; K291-Y371 HydrophobicContact CB-CE2 4.16Å; K291-Y371 HydrophobicContact CD-CE2 4.12Å; K291-Y371 PolarHBondContact N-O 2.85Å; K291-Y371 PolarHBondContact O-N 3.25Å; T293-Y371 HydrophobicContact CG2-CD1 3.46Å; T293-Y371 VanDerWaalsContact CG2-CD1 3.46Å; T293-Y371 HydrophobicContact CG2-CE1 3.14Å; L367-Y371 HydrophobicContact CB-CD1 3.86Å; L367-Y371 HydrophobicContact CB-CG 4.49Å; L367-Y371 HydrophobicContact CD1-CG 4.38Å |
| 372 | S | 85.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 140.9 | 169.3 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | S289 N374 E377 | S289-S372 VanDerWaalsContact CB-OG 3.25Å; S289-S372 WeakPolarHBondContact CB-OG 3.47Å; S289-S372 CarbonylContact O-C 3.5Å; S289-S372 WeakPolarHBondContact O-CA 3.34Å; S289-S372 PolarHBondContact OG-OG 3.47Å; S372-N374 WeakPolarHBondContact CB-O 3.38Å; S372-N374 CarbonylContact O-C 3.56Å; S372-N374 VanDerWaalsContact O-C 3.26Å; S372-N374 PolarHBondContact O-N 3.4Å; S372-N374 VanDerWaalsContact O-O 3.12Å; S372-N374 PolarHBondContact OG-N 3.39Å; S372-E377 VanDerWaalsContact CB-OE2 3.29Å; S372-E377 WeakPolarHBondContact CB-OE2 3.32Å; S372-E377 PolarHBondContact OG-OE2 3.38Å |
| 373 | S | 77.8 | Confident | 87.5 | Confident | 57 Ų | 57 | 37 Ų | 37 | 40% | 0.399 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -54.1 | -20.4 | 172.4 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | S289 K291 | S289-S373 PolarHBondContact O-N 3.19Å; S289-S373 PolarHBondContact O-OG 2.89Å; K291-S373 WeakPolarHBondContact CD-OG 3.45Å; K291-S373 WeakPolarHBondContact CE-OG 3.49Å |
| 374 | N | 76.2 | Confident | 87.8 | Confident | 19 Ų | 19 | 27.5 Ų | 27.5 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -89.9 | 114.5 | 163.2 | -170.9 | -18.2 | 0 | 0 | 0 | 110.5 | F31 M283 S372 N376 E377 | F31-N374 HydrophobicContact CD2-CB 3.86Å; F31-N374 HydrophobicContact CE2-CB 3.87Å; M283-N374 PolarHBondContact SD-ND2 3.19Å; S372-N374 WeakPolarHBondContact CB-O 3.38Å; S372-N374 CarbonylContact O-C 3.56Å; S372-N374 VanDerWaalsContact O-C 3.26Å; S372-N374 PolarHBondContact O-N 3.4Å; S372-N374 VanDerWaalsContact O-O 3.12Å; S372-N374 PolarHBondContact OG-N 3.39Å; N374-N376 PolarHBondContact O-N 3.34Å; N374-N376 VanDerWaalsContact O-N 3.09Å; N374-N376 WeakPolarHBondContact OD1-CB 3.44Å; N374-N376 PolarHBondContact OD1-N 2.71Å; N374-E377 HydrophobicContact CB-CG 4.2Å; N374-E377 PolarHBondContact O-N 3.31Å; N374-E377 VanDerWaalsContact O-N 3.12Å |
| 375 | R | 76.6 | Confident | 88.3 | Confident | 153 Ų | 153 | 21.4 Ų | 21.4 | 58% | 0.577 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.8 | -179.3 | -64.5 | -174.5 | -176.7 | -111 | -3.3 | 114 | E366 | E366-R375 IonicContact OE1-CZ 3.43Å; E366-R375 IonicContact OE1-NH1 2.7Å; E366-R375 PolarHBondContact OE1-NH1 3.12Å; E366-R375 IonicContact OE1-NH2 2.76Å; E366-R375 PolarHBondContact OE1-NH2 3.29Å; E366-R375 IonicContact OE2-CZ 2.77Å; E366-R375 IonicContact OE2-NH1 3.22Å; E366-R375 PolarHBondContact OE2-NH1 2.63Å; E366-R375 IonicContact OE2-NH2 3.67Å; E366-R375 PolarHBondContact OE2-NH2 2.9Å |
| 376 | N | 82.4 | Confident | 88.9 | Confident | 28 Ų | 28 | 20.4 Ų | 20.4 | 15% | 0.15 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8.7 | 179.9 | -61.1 | 5.6 | 0 | 0 | 0 | 112.9 | C276 N278 T280 M283 N374 | C276-N376 PolarHBondContact SG-OD1 2.75Å; N278-N376 WeakPolarHBondContact O-CB 3.49Å; T280-N376 PolarHBondContact N-O 2.96Å; T280-N376 PolarHBondContact OG1-O 3.38Å; M283-N376 HydrophobicContact SD-CB 4.31Å; N374-N376 PolarHBondContact O-N 3.34Å; N374-N376 VanDerWaalsContact O-N 3.09Å; N374-N376 WeakPolarHBondContact OD1-CB 3.44Å; N374-N376 PolarHBondContact OD1-N 2.71Å |
| 377 | E | 88 | Confident | 89.3 | Confident | 5 Ų | 5 | 17.7 Ų | 17.7 | 2% | 0.023 | 8% | 0.084 | C | C | . | . | B | Isolated β-bridge | trans | -95.4 | 132.7 | 179.6 | -72.4 | -169.7 | 141.1 | 0 | 0 | 112.4 | T280 M283 S284 S372 N374 | T280-E377 WeakPolarHBondContact O-CA 3.14Å; M283-E377 WeakPolarHBondContact CA-OE1 3.33Å; M283-E377 HydrophobicContact CB-CG 4.04Å; M283-E377 VanDerWaalsContact CB-OE1 3.3Å; M283-E377 WeakPolarHBondContact CB-OE1 3.34Å; M283-E377 HydrophobicContact CG-CG 3.91Å; M283-E377 PolarHBondContact N-OE1 3.33Å; M283-E377 HydrophobicContact SD-CG 4.39Å; S284-E377 PolarHBondContact N-OE1 2.88Å; S372-E377 VanDerWaalsContact CB-OE2 3.29Å; S372-E377 WeakPolarHBondContact CB-OE2 3.32Å; S372-E377 PolarHBondContact OG-OE2 3.38Å; N374-E377 HydrophobicContact CB-CG 4.2Å; N374-E377 PolarHBondContact O-N 3.31Å; N374-E377 VanDerWaalsContact O-N 3.12Å |
| 378 | L | 91 | Very high | 89.5 | Confident | 7 Ų | 7 | 16.3 Ų | 16.3 | 4% | 0.037 | 8% | 0.076 | C | C | . | . | trans | -110 | -18.7 | -172.7 | -58.9 | 178.8 | 0 | 0 | 0 | 115.2 | P272 P279 T280 M281 Y334 V380 S381 L382 | P272-L378 HydrophobicContact CB-CD1 3.72Å; P272-L378 HydrophobicContact CB-CD2 3.79Å; P272-L378 HydrophobicContact CB-CG 4.39Å; P272-L378 HydrophobicContact CG-CD1 3.59Å; P272-L378 HydrophobicContact CG-CD2 3.79Å; P272-L378 HydrophobicContact CG-CG 4.34Å; P279-L378 HydrophobicContact CB-CD1 3.99Å; T280-L378 PolarHBondContact O-N 2.89Å; T280-L378 VanDerWaalsContact O-N 3.14Å; M281-L378 PolarHBondContact O-N 3.39Å; M281-L378 HydrophobicContact SD-CB 4.27Å; Y334-L378 HydrophobicContact CD2-CD1 3.78Å; Y334-L378 HydrophobicContact CE2-CD1 3.84Å; L378-V380 VanDerWaalsContact C-N 3.3Å; L378-V380 PolarHBondContact O-N 2.9Å; L378-S381 PolarHBondContact O-N 3.48Å; L378-L382 HydrophobicContact CB-CD1 3.93Å; L378-L382 HydrophobicContact CB-CG 4.28Å; L378-L382 WeakPolarHBondContact O-CG 3.48Å; L378-L382 PolarHBondContact O-N 3.49Å | ||
| 379 | W | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -56.2 | -39 | -170.9 | 69.1 | -83.2 | 0 | 0 | 0 | 114.4 | M281 I282 I290 L304 A308 I319 I323 I383 | M281-W379 HydrophobicContact CE-CB 3.96Å; M281-W379 WeakPolarHBondContact O-CB 3.34Å; M281-W379 PolarHBondContact O-N 2.96Å; I282-W379 HydrophobicContact CD1-CB 4.17Å; I282-W379 HydrophobicContact CD1-CG 4.31Å; I282-W379 HydrophobicContact CG1-CB 3.69Å; I282-W379 HydrophobicContact CG1-CG 3.77Å; I290-W379 HydrophobicContact CD1-CH2 3.56Å; I290-W379 HydrophobicContact CD1-CZ2 4.2Å; I290-W379 HydrophobicContact CD1-CZ3 4.4Å; I290-W379 HydrophobicContact CG1-CH2 3.92Å; I290-W379 HydrophobicContact CG1-CZ2 4.04Å; L304-W379 HydrophobicContact CD1-CE3 4.27Å; L304-W379 HydrophobicContact CD1-CZ3 3.62Å; L304-W379 HydrophobicContact CD2-CE3 4.33Å; L304-W379 HydrophobicContact CD2-CH2 4.31Å; L304-W379 HydrophobicContact CD2-CZ3 3.76Å; L304-W379 HydrophobicContact CG-CE3 4.48Å; L304-W379 HydrophobicContact CG-CH2 4.14Å; L304-W379 HydrophobicContact CG-CZ3 3.58Å; A308-W379 HydrophobicContact CB-CH2 3.89Å; I319-W379 HydrophobicContact CG2-CE3 3.63Å; I319-W379 HydrophobicContact CG2-CZ3 3.71Å; I323-W379 HydrophobicContact CD1-CB 3.95Å; W379-I383 HydrophobicContact CE3-CD1 4Å; W379-I383 VanDerWaalsContact O-CB 3.32Å; W379-I383 WeakPolarHBondContact O-CB 3.4Å; W379-I383 WeakPolarHBondContact O-CG1 3.25Å; W379-I383 PolarHBondContact O-N 3.31Å |
| 380 | V | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.8 | -53.4 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | I290 L304 L378 E384 | I290-V380 HydrophobicContact CG1-CG2 4.04Å; I290-V380 HydrophobicContact CG2-CG1 4Å; L304-V380 HydrophobicContact CD2-CB 4.25Å; L304-V380 HydrophobicContact CD2-CG1 3.86Å; L304-V380 HydrophobicContact CD2-CG2 4.29Å; L378-V380 VanDerWaalsContact C-N 3.3Å; L378-V380 PolarHBondContact O-N 2.9Å; V380-E384 WeakPolarHBondContact O-CB 3.25Å; V380-E384 PolarHBondContact O-N 3.06Å |
| 381 | S | 93.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.007 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.5 | -36.8 | -175.9 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | S370 L378 K385 | S370-S381 WeakPolarHBondContact O-CA 3.34Å; S370-S381 WeakPolarHBondContact O-CB 3.42Å; S370-S381 PolarHBondContact O-OG 3.4Å; L378-S381 PolarHBondContact O-N 3.48Å; S381-K385 VanDerWaalsContact O-CB 3.22Å; S381-K385 WeakPolarHBondContact O-CB 3.42Å; S381-K385 PolarHBondContact O-N 3.41Å |
| 382 | L | 94.9 | Very high | 90 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -73 | -39.9 | 179.4 | -68.6 | -179 | 0 | 0 | 0 | 112.6 | M281 Y340 I355 D357 L378 K385 A386 | M281-L382 HydrophobicContact CE-CB 4.19Å; M281-L382 HydrophobicContact CE-CD1 3.65Å; M281-L382 HydrophobicContact CE-CG 4.48Å; M281-L382 HydrophobicContact SD-CD1 3.8Å; Y340-L382 HydrophobicContact CD1-CD1 3.99Å; Y340-L382 HydrophobicContact CD2-CD1 3.81Å; Y340-L382 HydrophobicContact CD2-CD2 4.45Å; Y340-L382 HydrophobicContact CE1-CD1 3.98Å; Y340-L382 HydrophobicContact CE2-CD1 3.84Å; Y340-L382 HydrophobicContact CG-CD1 3.9Å; I355-L382 HydrophobicContact CD1-CB 4.03Å; I355-L382 HydrophobicContact CD1-CD2 3.98Å; I355-L382 WeakPolarHBondContact CD1-O 3.37Å; D357-L382 HydrophobicContact CB-CD2 4.22Å; L378-L382 HydrophobicContact CB-CD1 3.93Å; L378-L382 HydrophobicContact CB-CG 4.28Å; L378-L382 WeakPolarHBondContact O-CG 3.48Å; L378-L382 PolarHBondContact O-N 3.49Å; L382-K385 PolarHBondContact O-N 2.93Å; L382-A386 PolarHBondContact O-N 3.15Å |
| 383 | I | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.1 | -43.8 | 174.8 | -74.7 | 165.3 | 0 | 0 | 0 | 110.8 | F300 L304 I319 I322 I323 V342 W379 K385 A386 Y387 L408 | F300-I383 HydrophobicContact CE1-CG2 4.09Å; F300-I383 HydrophobicContact CZ-CG2 3.64Å; L304-I383 HydrophobicContact CD1-CD1 4.24Å; L304-I383 HydrophobicContact CD1-CG2 3.96Å; I319-I383 HydrophobicContact CG2-CD1 3.81Å; I322-I383 HydrophobicContact CD1-CD1 4.49Å; I323-I383 HydrophobicContact CD1-CD1 3.47Å; I323-I383 VanDerWaalsContact CD1-CD1 3.47Å; I323-I383 HydrophobicContact CD1-CG1 4.13Å; I323-I383 HydrophobicContact CG1-CD1 3.77Å; I323-I383 HydrophobicContact CG1-CG1 4.07Å; V342-I383 HydrophobicContact CG1-CG1 4.41Å; W379-I383 HydrophobicContact CE3-CD1 4Å; W379-I383 VanDerWaalsContact O-CB 3.32Å; W379-I383 WeakPolarHBondContact O-CB 3.4Å; W379-I383 WeakPolarHBondContact O-CG1 3.25Å; W379-I383 PolarHBondContact O-N 3.31Å; I383-K385 VanDerWaalsContact C-N 3.35Å; I383-K385 PolarHBondContact O-N 3.25Å; I383-A386 PolarHBondContact O-N 3.34Å; I383-Y387 PolarHBondContact O-N 2.58Å; I383-L408 HydrophobicContact CG2-CD2 3.76Å |
| 384 | E | 94.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 12.8 Ų | 12.8 | 1% | 0.009 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.9 | -47 | 173.7 | -175.8 | -176.7 | -103.9 | 0 | 0 | 111.2 | F300 C369 S370 V380 A386 Y387 M388 Y394 | F300-E384 HydrophobicContact CD1-CG 4.44Å; F300-E384 HydrophobicContact CE1-CB 4.05Å; F300-E384 HydrophobicContact CE1-CG 4.41Å; C369-E384 WeakPolarHBondContact CA-OE2 3.43Å; C369-E384 WeakPolarHBondContact CB-OE2 3.41Å; S370-E384 WeakPolarHBondContact CB-OE1 3.47Å; S370-E384 PolarHBondContact N-OE1 3.21Å; S370-E384 PolarHBondContact N-OE2 3.03Å; S370-E384 PolarHBondContact OG-OE1 2.9Å; V380-E384 WeakPolarHBondContact O-CB 3.25Å; V380-E384 PolarHBondContact O-N 3.06Å; E384-A386 VanDerWaalsContact C-N 3.34Å; E384-A386 PolarHBondContact O-N 3.28Å; E384-Y387 PolarHBondContact O-N 3Å; E384-Y387 VanDerWaalsContact O-N 3.15Å; E384-M388 HydrophobicContact CG-CG 4.07Å; E384-M388 WeakPolarHBondContact O-CB 3.23Å; E384-M388 VanDerWaalsContact O-CG 3.28Å; E384-M388 WeakPolarHBondContact O-CG 3.46Å; E384-M388 PolarHBondContact O-N 3.15Å; E384-Y394 HydrophobicContact CG-CE1 4.35Å |
| 385 | K | 95.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 3% | 0.026 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 177.6 | -177.4 | 178.5 | 178.7 | 178.5 | 0 | 112.6 | L256 I355 D356 Y358 L359 S381 L382 I383 Y387 M388 K389 | L256-K385 HydrophobicContact CD1-CG 3.84Å; I355-K385 HydrophobicContact CD1-CB 4.42Å; I355-K385 HydrophobicContact CD1-CD 4.39Å; D356-K385 VanDerWaalsContact C-NZ 3.35Å; D356-K385 WeakPolarHBondContact O-CE 3.5Å; D356-K385 PolarHBondContact O-NZ 2.8Å; D356-K385 IonicContact OD1-NZ 2.67Å; D356-K385 PolarHBondContact OD1-NZ 3.38Å; Y358-K385 PolarHBondContact O-NZ 2.88Å; L359-K385 HydrophobicContact CD2-CD 4.26Å; S381-K385 VanDerWaalsContact O-CB 3.22Å; S381-K385 WeakPolarHBondContact O-CB 3.42Å; S381-K385 PolarHBondContact O-N 3.41Å; L382-K385 PolarHBondContact O-N 2.93Å; I383-K385 VanDerWaalsContact C-N 3.35Å; I383-K385 PolarHBondContact O-N 3.25Å; K385-Y387 VanDerWaalsContact C-N 3.32Å; K385-Y387 PolarHBondContact O-N 3.17Å; K385-M388 PolarHBondContact O-N 3.35Å; K385-K389 WeakPolarHBondContact O-CB 3.25Å; K385-K389 PolarHBondContact O-N 3.34Å |
| 386 | A | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V342 L344 V353 I355 L382 I383 E384 K389 V390 | V342-A386 HydrophobicContact CB-CB 3.64Å; V342-A386 HydrophobicContact CG1-CB 4.15Å; V342-A386 HydrophobicContact CG2-CB 3.6Å; L344-A386 HydrophobicContact CD1-CB 4.48Å; V353-A386 HydrophobicContact CB-CB 4.33Å; V353-A386 HydrophobicContact CG1-CB 3.89Å; I355-A386 HydrophobicContact CD1-CB 4.23Å; I355-A386 HydrophobicContact CG2-CB 4.08Å; L382-A386 PolarHBondContact O-N 3.15Å; I383-A386 PolarHBondContact O-N 3.34Å; E384-A386 VanDerWaalsContact C-N 3.34Å; E384-A386 PolarHBondContact O-N 3.28Å; A386-K389 WeakPolarHBondContact O-CB 3.47Å; A386-K389 PolarHBondContact O-N 3.19Å; A386-V390 PolarHBondContact O-N 2.72Å |
| 387 | Y | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.2 | -47.2 | 178.3 | -172.3 | -117.6 | 0 | 0 | 0 | 112.3 | D297 F300 L344 I383 E384 K385 K389 V390 M391 D404 A407 | D297-Y387 WeakPolarHBondContact OD2-CE1 3.44Å; F300-Y387 HydrophobicContact CB-CD1 4.22Å; F300-Y387 HydrophobicContact CB-CE1 4.09Å; F300-Y387 HydrophobicContact CD1-CD1 4.18Å; F300-Y387 AromaticContact CD2-CD1 3.16Å; F300-Y387 HydrophobicContact CD2-CD1 3.16Å; F300-Y387 HydrophobicContact CD2-CD2 4.17Å; F300-Y387 AromaticContact CD2-CE1 3.34Å; F300-Y387 HydrophobicContact CD2-CE1 3.34Å; F300-Y387 HydrophobicContact CD2-CE2 4.3Å; F300-Y387 AromaticContact CD2-CG 3.62Å; F300-Y387 HydrophobicContact CD2-CG 3.62Å; F300-Y387 AromaticContact CD2-CZ 3.91Å; F300-Y387 HydrophobicContact CE1-CD1 4.36Å; F300-Y387 HydrophobicContact CE1-CG 4.5Å; F300-Y387 AromaticContact CE2-CD1 3.37Å; F300-Y387 HydrophobicContact CE2-CD1 3.37Å; F300-Y387 AromaticContact CE2-CD2 3.74Å; F300-Y387 HydrophobicContact CE2-CD2 3.74Å; F300-Y387 AromaticContact CE2-CE1 3.92Å; F300-Y387 HydrophobicContact CE2-CE1 3.92Å; F300-Y387 HydrophobicContact CE2-CE2 4.24Å; F300-Y387 AromaticContact CE2-CG 3.26Å; F300-Y387 HydrophobicContact CE2-CG 3.26Å; F300-Y387 AromaticContact CG-CD1 3.59Å; F300-Y387 HydrophobicContact CG-CD1 3.59Å; F300-Y387 AromaticContact CG-CE1 3.86Å; F300-Y387 HydrophobicContact CG-CE1 3.86Å; F300-Y387 HydrophobicContact CG-CG 4.34Å; F300-Y387 VanDerWaalsContact CZ-CB 3.45Å; F300-Y387 AromaticContact CZ-CD1 3.96Å; F300-Y387 HydrophobicContact CZ-CD1 3.96Å; F300-Y387 HydrophobicContact CZ-CD2 4.5Å; F300-Y387 AromaticContact CZ-CG 3.75Å; F300-Y387 HydrophobicContact CZ-CG 3.75Å; L344-Y387 HydrophobicContact CD1-CD2 4.18Å; I383-Y387 PolarHBondContact O-N 2.58Å; E384-Y387 PolarHBondContact O-N 3Å; E384-Y387 VanDerWaalsContact O-N 3.15Å; K385-Y387 VanDerWaalsContact C-N 3.32Å; K385-Y387 PolarHBondContact O-N 3.17Å; Y387-K389 VanDerWaalsContact C-N 3.26Å; Y387-K389 PolarHBondContact O-N 3.3Å; Y387-V390 WeakPolarHBondContact O-CB 3.36Å; Y387-V390 PolarHBondContact O-N 2.83Å; Y387-M391 HydrophobicContact CD1-CG 4.33Å; Y387-M391 HydrophobicContact CD2-CE 4.22Å; Y387-M391 HydrophobicContact CD2-CG 4.46Å; Y387-M391 HydrophobicContact CE1-CE 4.42Å; Y387-M391 HydrophobicContact CE1-CG 4.03Å; Y387-M391 HydrophobicContact CE2-CE 3.31Å; Y387-M391 HydrophobicContact CE2-CG 4.17Å; Y387-M391 VanDerWaalsContact CZ-CE 3.44Å; Y387-M391 WeakPolarHBondContact O-CG 3.49Å; Y387-M391 PolarHBondContact O-N 3.07Å; Y387-M391 WeakPolarHBondContact OH-CE 3.46Å; Y387-D404 PolarHBondContact OH-OD1 3.2Å; Y387-A407 HydrophobicContact CD2-CB 4.38Å; Y387-A407 HydrophobicContact CE2-CB 3.72Å |
| 388 | M | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.2 | -34.3 | 176.5 | -67.7 | -63.5 | 101.5 | 0 | 0 | 112.2 | L256 D297 E384 K385 M391 G392 G393 Y394 F396 | L256-M388 HydrophobicContact CD1-CB 4.09Å; D297-M388 HydrophobicContact CB-CE 4.22Å; E384-M388 HydrophobicContact CG-CG 4.07Å; E384-M388 WeakPolarHBondContact O-CB 3.23Å; E384-M388 VanDerWaalsContact O-CG 3.28Å; E384-M388 WeakPolarHBondContact O-CG 3.46Å; E384-M388 PolarHBondContact O-N 3.15Å; K385-M388 PolarHBondContact O-N 3.35Å; M388-M391 CarbonylContact O-C 3.59Å; M388-M391 PolarHBondContact O-N 3.39Å; M388-G392 PolarHBondContact O-N 3.11Å; M388-G393 PolarHBondContact O-N 3.4Å; M388-Y394 HydrophobicContact CB-CD1 4.21Å; M388-Y394 HydrophobicContact CB-CE1 4.31Å; M388-Y394 HydrophobicContact CG-CD1 3.7Å; M388-Y394 HydrophobicContact CG-CE1 3.85Å; M388-Y394 HydrophobicContact CG-CG 4.4Å; M388-Y394 HydrophobicContact SD-CD1 4.39Å; M388-F396 HydrophobicContact CE-CD1 4.02Å; M388-F396 HydrophobicContact SD-CB 4.18Å |
| 389 | K | 94.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 11.7 Ų | 11.7 | 5% | 0.048 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 173.1 | -171.1 | -174.6 | 170.8 | 168.1 | 0 | 111.5 | Y231 D251 T253 L256 V353 I354 I355 K385 A386 Y387 G392 | Y231-K389 WeakPolarHBondContact OH-CG 3.31Å; Y231-K389 PolarHBondContact OH-O 2.79Å; D251-K389 IonicContact OD1-NZ 3.46Å; D251-K389 PolarHBondContact OD1-NZ 2.95Å; D251-K389 IonicContact OD2-NZ 3.22Å; D251-K389 PolarHBondContact OD2-NZ 3.47Å; T253-K389 WeakPolarHBondContact OG1-CE 3.41Å; T253-K389 PolarHBondContact OG1-NZ 3.37Å; L256-K389 HydrophobicContact CD1-CB 4.35Å; L256-K389 HydrophobicContact CD2-CB 3.87Å; L256-K389 HydrophobicContact CD2-CG 3.9Å; V353-K389 HydrophobicContact CG1-CD 4.33Å; I354-K389 PolarHBondContact O-NZ 2.9Å; I355-K389 HydrophobicContact CG2-CD 3.99Å; K385-K389 WeakPolarHBondContact O-CB 3.25Å; K385-K389 PolarHBondContact O-N 3.34Å; A386-K389 WeakPolarHBondContact O-CB 3.47Å; A386-K389 PolarHBondContact O-N 3.19Å; Y387-K389 VanDerWaalsContact C-N 3.26Å; Y387-K389 PolarHBondContact O-N 3.3Å; K389-G392 PolarHBondContact O-N 3.4Å |
| 390 | V | 93.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.012 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 175.6 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | I226 N227 Y231 L344 I346 V353 A386 Y387 G392 | I226-V390 HydrophobicContact CD1-CG1 4.14Å; I226-V390 HydrophobicContact CG2-CG1 4.47Å; I226-V390 WeakPolarHBondContact CG2-O 3.42Å; N227-V390 PolarHBondContact ND2-O 3.43Å; Y231-V390 HydrophobicContact CD1-CG2 4.16Å; Y231-V390 HydrophobicContact CE1-CG2 3.89Å; Y231-V390 HydrophobicContact CE2-CG2 4.29Å; Y231-V390 HydrophobicContact CG-CG2 4.47Å; L344-V390 HydrophobicContact CD1-CG2 4.43Å; I346-V390 HydrophobicContact CD1-CG1 4.43Å; I346-V390 HydrophobicContact CG1-CG1 4.34Å; I346-V390 HydrophobicContact CG2-CG1 4.33Å; V353-V390 HydrophobicContact CG1-CG2 4.15Å; V353-V390 HydrophobicContact CG2-CG2 3.61Å; A386-V390 PolarHBondContact O-N 2.72Å; Y387-V390 WeakPolarHBondContact O-CB 3.36Å; Y387-V390 PolarHBondContact O-N 2.83Å; V390-G392 PolarHBondContact O-N 3.14Å |
| 391 | M | 91.5 | Very high | 91.2 | Very high | 10 Ų | 10 | 13.4 Ų | 13.4 | 5% | 0.049 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -78.2 | -0.7 | -177.5 | -62.8 | -52.4 | 173.7 | 0 | 0 | 114.8 | Y387 M388 F396 K608 F611 | Y387-M391 HydrophobicContact CD1-CG 4.33Å; Y387-M391 HydrophobicContact CD2-CE 4.22Å; Y387-M391 HydrophobicContact CD2-CG 4.46Å; Y387-M391 HydrophobicContact CE1-CE 4.42Å; Y387-M391 HydrophobicContact CE1-CG 4.03Å; Y387-M391 HydrophobicContact CE2-CE 3.31Å; Y387-M391 HydrophobicContact CE2-CG 4.17Å; Y387-M391 VanDerWaalsContact CZ-CE 3.44Å; Y387-M391 WeakPolarHBondContact O-CG 3.49Å; Y387-M391 PolarHBondContact O-N 3.07Å; Y387-M391 WeakPolarHBondContact OH-CE 3.46Å; M388-M391 CarbonylContact O-C 3.59Å; M388-M391 PolarHBondContact O-N 3.39Å; M391-F396 HydrophobicContact CB-CB 4.38Å; M391-F396 HydrophobicContact CB-CD1 4.28Å; M391-F396 HydrophobicContact CB-CD2 3.76Å; M391-F396 HydrophobicContact CB-CE2 4.09Å; M391-F396 HydrophobicContact CB-CG 3.89Å; M391-F396 HydrophobicContact CB-CZ 4.46Å; M391-F396 HydrophobicContact CG-CE1 4.46Å; M391-F396 HydrophobicContact CG-CE2 4.4Å; M391-F396 HydrophobicContact CG-CZ 4.37Å; M391-F396 HydrophobicContact SD-CE2 4.48Å; M391-K608 WeakPolarHBondContact O-CB 3.28Å; M391-F611 HydrophobicContact CE-CZ 4.17Å; M391-F611 HydrophobicContact SD-CE2 3.76Å; M391-F611 HydrophobicContact SD-CZ 3.76Å |
| 392 | G | 89.7 | Confident | 91.1 | Very high | 21 Ų | 21 | 13.7 Ų | 13.7 | 22% | 0.216 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.7 | 4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N227 M388 K389 V390 | N227-G392 WeakPolarHBondContact ND2-CA 3.39Å; N227-G392 PolarHBondContact ND2-N 2.96Å; M388-G392 PolarHBondContact O-N 3.11Å; K389-G392 PolarHBondContact O-N 3.4Å; V390-G392 PolarHBondContact O-N 3.14Å |
| 393 | G | 91.8 | Very high | 91 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 139.2 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M388 D395 F396 | M388-G393 PolarHBondContact O-N 3.4Å; G393-D395 WeakPolarHBondContact CA-OD1 3.35Å; G393-D395 PolarHBondContact O-N 2.87Å; G393-F396 WeakPolarHBondContact O-CB 3.43Å; G393-F396 PolarHBondContact O-N 2.94Å |
| 394 | Y | 90 | Very high | 90.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -7 | 169.4 | -70.1 | -78 | 0 | 0 | 0 | 112.6 | L256 A257 L258 S259 W269 P360 C369 E384 M388 F396 | L256-Y394 HydrophobicContact CB-CD2 3.82Å; L256-Y394 HydrophobicContact CB-CE2 4.05Å; L256-Y394 HydrophobicContact CD1-CD2 4.05Å; L256-Y394 HydrophobicContact CD1-CE2 3.71Å; L256-Y394 HydrophobicContact CG-CE2 4.42Å; A257-Y394 WeakPolarHBondContact O-CA 3.28Å; A257-Y394 WeakPolarHBondContact O-CB 3.49Å; A257-Y394 PolarHBondContact O-N 3.14Å; L258-Y394 HydrophobicContact CD2-CD2 3.94Å; S259-Y394 WeakPolarHBondContact CB-O 3.35Å; W269-Y394 HydrophobicContact CH2-CD2 4.45Å; W269-Y394 HydrophobicContact CH2-CE2 4.03Å; P360-Y394 HydrophobicContact CG-CE2 4.27Å; C369-Y394 HydrophobicContact CB-CE1 4.01Å; E384-Y394 HydrophobicContact CG-CE1 4.35Å; M388-Y394 HydrophobicContact CB-CD1 4.21Å; M388-Y394 HydrophobicContact CB-CE1 4.31Å; M388-Y394 HydrophobicContact CG-CD1 3.7Å; M388-Y394 HydrophobicContact CG-CE1 3.85Å; M388-Y394 HydrophobicContact CG-CG 4.4Å; M388-Y394 HydrophobicContact SD-CD1 4.39Å; Y394-F396 PolarHBondContact O-N 2.89Å |
| 395 | D | 87.4 | Confident | 91 | Very high | 53 Ų | 53 | 13.9 Ų | 13.9 | 28% | 0.283 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 5.1 | 169.5 | 69.2 | -36.7 | 0 | 0 | 0 | 113.1 | A257 G393 K608 | A257-D395 PolarHBondContact O-N 3.22Å; G393-D395 WeakPolarHBondContact CA-OD1 3.35Å; G393-D395 PolarHBondContact O-N 2.87Å; D395-K608 IonicContact OD1-NZ 3.67Å; D395-K608 IonicContact OD2-NZ 3.76Å; D395-K608 PolarHBondContact OD2-NZ 3.15Å |
| 396 | F | 87.3 | Confident | 91 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | trans | -54.8 | 129.1 | 174.3 | 179 | -117.1 | 0 | 0 | 0 | 111.2 | S296 D297 M388 M391 G393 Y394 G398 F611 | S296-F396 WeakPolarHBondContact CB-O 3.47Å; S296-F396 PolarHBondContact OG-O 3.45Å; D297-F396 HydrophobicContact CB-CD1 4.28Å; M388-F396 HydrophobicContact CE-CD1 4.02Å; M388-F396 HydrophobicContact SD-CB 4.18Å; M391-F396 HydrophobicContact CB-CB 4.38Å; M391-F396 HydrophobicContact CB-CD1 4.28Å; M391-F396 HydrophobicContact CB-CD2 3.76Å; M391-F396 HydrophobicContact CB-CE2 4.09Å; M391-F396 HydrophobicContact CB-CG 3.89Å; M391-F396 HydrophobicContact CB-CZ 4.46Å; M391-F396 HydrophobicContact CG-CE1 4.46Å; M391-F396 HydrophobicContact CG-CE2 4.4Å; M391-F396 HydrophobicContact CG-CZ 4.37Å; M391-F396 HydrophobicContact SD-CE2 4.48Å; G393-F396 WeakPolarHBondContact O-CB 3.43Å; G393-F396 PolarHBondContact O-N 2.94Å; Y394-F396 PolarHBondContact O-N 2.89Å; F396-G398 VanDerWaalsContact CE1-CA 3.48Å; F396-G398 WeakPolarHBondContact CE1-O 3.39Å; F396-G398 VanDerWaalsContact CZ-O 3.26Å; F396-G398 WeakPolarHBondContact CZ-O 3.2Å; F396-G398 PolarHBondContact O-N 3.01Å; F396-G398 VanDerWaalsContact O-N 3.16Å; F396-F611 HydrophobicContact CE2-CB 3.99Å; F396-F611 HydrophobicContact CE2-CD1 4.11Å; F396-F611 AromaticContact CE2-CD2 3.69Å; F396-F611 HydrophobicContact CE2-CD2 3.69Å; F396-F611 HydrophobicContact CE2-CE1 4.46Å; F396-F611 HydrophobicContact CE2-CE2 4.05Å; F396-F611 AromaticContact CE2-CG 3.68Å; F396-F611 HydrophobicContact CE2-CG 3.68Å; F396-F611 HydrophobicContact CE2-CZ 4.42Å; F396-F611 HydrophobicContact CZ-CD1 4.02Å; F396-F611 HydrophobicContact CZ-CD2 4.35Å; F396-F611 HydrophobicContact CZ-CE1 4.19Å; F396-F611 HydrophobicContact CZ-CE2 4.48Å; F396-F611 HydrophobicContact CZ-CG 4.09Å; F396-F611 HydrophobicContact CZ-CZ 4.4Å | ||
| 397 | P | 80.2 | Confident | 91 | Very high | 82 Ų | 82 | 13.9 Ų | 13.9 | 53% | 0.532 | 9% | 0.091 | S | C | . | . | trans | -68.2 | -13.7 | -174.2 | 26.3 | -36.2 | 0 | 0 | 0 | 114.4 | ||||
| 398 | G | 83.8 | Confident | 90.9 | Very high | 22 Ų | 22 | 14.1 Ų | 14.1 | 23% | 0.227 | 9% | 0.092 | C | C | . | . | trans | 111.7 | 165.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F396 | F396-G398 VanDerWaalsContact CE1-CA 3.48Å; F396-G398 WeakPolarHBondContact CE1-O 3.39Å; F396-G398 VanDerWaalsContact CZ-O 3.26Å; F396-G398 WeakPolarHBondContact CZ-O 3.2Å; F396-G398 PolarHBondContact O-N 3.01Å; F396-G398 VanDerWaalsContact O-N 3.16Å | ||
| 399 | S | 86.3 | Confident | 91 | Very high | 32 Ų | 32 | 15.4 Ų | 15.4 | 22% | 0.224 | 10% | 0.1 | C | C | . | . | trans | -134.1 | -153.4 | -174.9 | 62.4 | 0 | 0 | 0 | 0 | 110.7 | D297 S299 D404 | D297-S399 PolarHBondContact OD1-OG 3.1Å; D297-S399 PolarHBondContact OD2-OG 2.6Å; S299-S399 VanDerWaalsContact OG-C 3.3Å; S299-S399 PolarHBondContact OG-O 2.89Å; S299-S399 PolarHBondContact OG-OG 3.26Å; S299-S399 VanDerWaalsContact OG-OG 3.14Å; S399-D404 WeakPolarHBondContact CB-OD1 3.16Å; S399-D404 PolarHBondContact OG-OD1 2.63Å; S399-D404 PolarHBondContact OG-OD2 3.49Å | ||
| 400 | N | 88.6 | Confident | 90.9 | Very high | 35 Ų | 35 | 15.5 Ų | 15.5 | 19% | 0.187 | 11% | 0.105 | C | C | . | . | trans | -133.5 | 159.3 | 169.5 | 64.6 | 58.7 | 0 | 0 | 0 | 110 | N402 I403 D404 Y544 | N400-N402 PolarHBondContact O-N 2.75Å; N400-N402 VanDerWaalsContact O-N 3.09Å; N400-N402 WeakPolarHBondContact OD1-CB 3.16Å; N400-N402 PolarHBondContact OD1-N 2.88Å; N400-I403 WeakPolarHBondContact ND2-CD1 3.47Å; N400-I403 PolarHBondContact O-N 2.81Å; N400-I403 WeakPolarHBondContact OD1-CG1 3.49Å; N400-I403 PolarHBondContact OD1-N 2.61Å; N400-D404 VanDerWaalsContact O-CG 3.32Å; N400-D404 PolarHBondContact O-N 2.64Å; N400-D404 VanDerWaalsContact O-OD2 3.12Å; N400-Y544 HydrophobicContact CB-CE1 4.35Å | ||
| 401 | S | 90.9 | Very high | 91 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.9 | -21.4 | -173.3 | -55.1 | 0 | 0 | 0 | 0 | 114.4 | S299 L405 T446 | S299-S401 WeakPolarHBondContact CB-OG 3.46Å; S401-L405 WeakPolarHBondContact O-CB 3.36Å; S401-L405 VanDerWaalsContact O-CG 3.31Å; S401-L405 WeakPolarHBondContact O-CG 3.41Å; S401-L405 PolarHBondContact O-N 2.88Å; S401-T446 WeakPolarHBondContact CB-OG1 3.32Å; S401-T446 PolarHBondContact OG-OG1 2.84Å |
| 402 | N | 91.4 | Very high | 91.3 | Very high | 7 Ų | 7 | 15.6 Ų | 15.6 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.2 | -42.1 | 174 | -88.7 | -4 | 0 | 0 | 0 | 111.9 | N400 H406 P413 E414 Y544 L545 | N400-N402 PolarHBondContact O-N 2.75Å; N400-N402 VanDerWaalsContact O-N 3.09Å; N400-N402 WeakPolarHBondContact OD1-CB 3.16Å; N400-N402 PolarHBondContact OD1-N 2.88Å; N402-H406 WeakPolarHBondContact O-CB 3.47Å; N402-H406 PolarHBondContact O-N 2.75Å; N402-P413 HydrophobicContact CB-CB 3.79Å; N402-E414 PolarHBondContact ND2-O 2.87Å; N402-E414 VanDerWaalsContact ND2-O 3.11Å; N402-E414 PolarHBondContact OD1-O 2.88Å; N402-E414 VanDerWaalsContact OD1-O 3.08Å; N402-Y544 HydrophobicContact CB-CD1 4.17Å; N402-Y544 WeakPolarHBondContact OD1-CB 3.06Å; N402-L545 PolarHBondContact OD1-O 3.4Å |
| 403 | I | 92.8 | Very high | 91.6 | Very high | 9 Ų | 9 | 14.7 Ų | 14.7 | 5% | 0.046 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.2 | -46.1 | 177.7 | -60.1 | 164.5 | 0 | 0 | 0 | 109.1 | N400 H406 A407 F611 P648 | N400-I403 WeakPolarHBondContact ND2-CD1 3.47Å; N400-I403 PolarHBondContact O-N 2.81Å; N400-I403 WeakPolarHBondContact OD1-CG1 3.49Å; N400-I403 PolarHBondContact OD1-N 2.61Å; I403-H406 PolarHBondContact O-N 2.67Å; I403-A407 VanDerWaalsContact O-CB 3.31Å; I403-A407 WeakPolarHBondContact O-CB 3.22Å; I403-A407 PolarHBondContact O-N 3.19Å; I403-F611 HydrophobicContact CD1-CE1 4.14Å; I403-P648 HydrophobicContact CD1-CG 3.9Å; I403-P648 HydrophobicContact CG1-CG 4.15Å |
| 404 | D | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.6 | -47.1 | -175 | -54.3 | -32 | 0 | 0 | 0 | 112.5 | S299 F300 S303 Y387 S399 N400 H406 A407 L408 | S299-D404 WeakPolarHBondContact CB-OD2 3.31Å; S299-D404 PolarHBondContact OG-OD2 3.41Å; F300-D404 HydrophobicContact CB-CB 4.38Å; F300-D404 HydrophobicContact CD2-CB 4.03Å; F300-D404 PolarHBondContact N-OD2 2.77Å; S303-D404 WeakPolarHBondContact OG-CB 3.45Å; Y387-D404 PolarHBondContact OH-OD1 3.2Å; S399-D404 WeakPolarHBondContact CB-OD1 3.16Å; S399-D404 PolarHBondContact OG-OD1 2.63Å; S399-D404 PolarHBondContact OG-OD2 3.49Å; N400-D404 VanDerWaalsContact O-CG 3.32Å; N400-D404 PolarHBondContact O-N 2.64Å; N400-D404 VanDerWaalsContact O-OD2 3.12Å; D404-H406 VanDerWaalsContact C-N 3.31Å; D404-H406 PolarHBondContact O-N 3.46Å; D404-A407 PolarHBondContact O-N 2.98Å; D404-L408 WeakPolarHBondContact O-CB 3.38Å; D404-L408 WeakPolarHBondContact O-CG 3.24Å; D404-L408 PolarHBondContact O-N 3.46Å |
| 405 | L | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 176.1 | -75 | 169 | 0 | 0 | 0 | 111 | I306 S401 L408 T409 L444 T446 | I306-L405 HydrophobicContact CG2-CD2 3.72Å; S401-L405 WeakPolarHBondContact O-CB 3.36Å; S401-L405 VanDerWaalsContact O-CG 3.31Å; S401-L405 WeakPolarHBondContact O-CG 3.41Å; S401-L405 PolarHBondContact O-N 2.88Å; L405-L408 PolarHBondContact O-N 3.1Å; L405-T409 WeakPolarHBondContact O-CB 3.1Å; L405-T409 PolarHBondContact O-N 3.17Å; L405-T409 PolarHBondContact O-OG1 3.09Å; L405-L444 HydrophobicContact CD1-CB 4.4Å; L405-L444 HydrophobicContact CD2-CB 4.5Å; L405-L444 HydrophobicContact CD2-CD1 3.93Å; L405-T446 HydrophobicContact CD1-CG2 4.2Å |
| 406 | H | 95.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 175.7 | -173.8 | 67.4 | 0 | 0 | 0 | 111.1 | H345 N402 I403 D404 L408 G410 W411 P413 H649 | H345-H406 WeakPolarHBondContact CB-O 3.16Å; H345-H406 AromaticContact CE1-CE1 3.62Å; H345-H406 AromaticContact CE1-NE2 3.28Å; H345-H406 PolarHBondContact CE1-NE2 2.94Å; H345-H406 VanDerWaalsContact CE1-NE2 3.28Å; H345-H406 AromaticContact ND1-CD2 3.82Å; H345-H406 AromaticContact ND1-CE1 3.69Å; H345-H406 AromaticContact ND1-NE2 3.15Å; H345-H406 PolarHBondContact ND1-NE2 3.27Å; H345-H406 VanDerWaalsContact ND1-NE2 3.15Å; N402-H406 WeakPolarHBondContact O-CB 3.47Å; N402-H406 PolarHBondContact O-N 2.75Å; I403-H406 PolarHBondContact O-N 2.67Å; D404-H406 VanDerWaalsContact C-N 3.31Å; D404-H406 PolarHBondContact O-N 3.46Å; H406-L408 PolarHBondContact O-N 2.98Å; H406-G410 VanDerWaalsContact O-CA 3.24Å; H406-G410 WeakPolarHBondContact O-CA 3.39Å; H406-G410 PolarHBondContact O-N 3.18Å; H406-W411 PolarHBondContact ND1-O 3.11Å; H406-P413 HydrophobicContact CB-CG 4.35Å; H406-H649 AromaticContact CD2-CE1 3.19Å; H406-H649 PolarHBondContact CD2-CE1 3.19Å; H406-H649 AromaticContact CD2-ND1 3.95Å; H406-H649 AromaticContact CD2-NE2 3.47Å; H406-H649 PolarHBondContact CD2-NE2 3.48Å; H406-H649 AromaticContact CG-CE1 3.96Å; H406-H649 AromaticContact CG-NE2 3.95Å; H406-H649 AromaticContact NE2-CE1 3.76Å |
| 407 | A | 95.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L344 H345 I346 Y387 I403 D404 | L344-A407 CarbonylContact C-O 3.48Å; L344-A407 WeakPolarHBondContact CA-O 3.38Å; H345-A407 PolarHBondContact N-O 3.34Å; H345-A407 WeakPolarHBondContact O-CA 3.48Å; I346-A407 HydrophobicContact CD1-CB 3.68Å; Y387-A407 HydrophobicContact CD2-CB 4.38Å; Y387-A407 HydrophobicContact CE2-CB 3.72Å; I403-A407 VanDerWaalsContact O-CB 3.31Å; I403-A407 WeakPolarHBondContact O-CB 3.22Å; I403-A407 PolarHBondContact O-N 3.19Å; D404-A407 PolarHBondContact O-N 2.98Å |
| 408 | L | 94.7 | Very high | 92.1 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -75.5 | -42.2 | -179.8 | -74.7 | 171.4 | 0 | 0 | 0 | 113 | F300 I322 L344 I383 D404 L405 H406 | F300-L408 HydrophobicContact CD2-CD1 4.24Å; F300-L408 HydrophobicContact CD2-CG 4.47Å; F300-L408 HydrophobicContact CE2-CD1 3.84Å; F300-L408 HydrophobicContact CE2-CD2 3.66Å; F300-L408 HydrophobicContact CE2-CG 3.72Å; F300-L408 HydrophobicContact CZ-CD1 4.3Å; F300-L408 HydrophobicContact CZ-CD2 3.74Å; F300-L408 HydrophobicContact CZ-CG 4.27Å; I322-L408 HydrophobicContact CD1-CD2 4.26Å; L344-L408 HydrophobicContact CD2-CD2 4.13Å; I383-L408 HydrophobicContact CG2-CD2 3.76Å; D404-L408 WeakPolarHBondContact O-CB 3.38Å; D404-L408 WeakPolarHBondContact O-CG 3.24Å; D404-L408 PolarHBondContact O-N 3.46Å; L405-L408 PolarHBondContact O-N 3.1Å; H406-L408 PolarHBondContact O-N 2.98Å |
| 409 | T | 94.6 | Very high | 91.5 | Very high | 28 Ų | 28 | 22 Ų | 22 | 17% | 0.172 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -114.2 | -20.3 | -165.1 | 68 | 0 | 0 | 0 | 0 | 114.1 | L318 L405 W411 L444 | L318-T409 HydrophobicContact CD1-CG2 4.37Å; L405-T409 WeakPolarHBondContact O-CB 3.1Å; L405-T409 PolarHBondContact O-N 3.17Å; L405-T409 PolarHBondContact O-OG1 3.09Å; T409-W411 PolarHBondContact O-N 2.9Å; T409-W411 VanDerWaalsContact OG1-CB 3.22Å; T409-W411 WeakPolarHBondContact OG1-CB 3.47Å; T409-W411 PolarHBondContact OG1-N 3.08Å; T409-W411 VanDerWaalsContact OG1-N 3.09Å; T409-L444 HydrophobicContact CG2-CD1 4.08Å |
| 410 | G | 93.6 | Very high | 89.9 | Confident | 13 Ų | 13 | 26 Ų | 26 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | trans | 69.2 | 7.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | H406 | H406-G410 VanDerWaalsContact O-CA 3.24Å; H406-G410 WeakPolarHBondContact O-CA 3.39Å; H406-G410 PolarHBondContact O-N 3.18Å | ||
| 411 | W | 95.9 | Very high | 88.3 | Confident | 13 Ų | 13 | 31.3 Ų | 31.3 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | trans | -73.1 | 160.2 | 179.9 | -73.7 | 26.8 | 0 | 0 | 0 | 112 | Y310 L318 H406 T409 P413 L444 S546 W547 N548 P549 | Y310-W411 HydrophobicContact CD2-CH2 4.34Å; Y310-W411 AromaticContact CE1-CH2 3.94Å; Y310-W411 HydrophobicContact CE1-CH2 3.94Å; Y310-W411 HydrophobicContact CE1-CZ2 4.08Å; Y310-W411 AromaticContact CE2-CH2 3.67Å; Y310-W411 HydrophobicContact CE2-CH2 3.67Å; Y310-W411 HydrophobicContact CE2-CZ3 4.4Å; Y310-W411 AromaticContact CZ-CH2 3.46Å; Y310-W411 VanDerWaalsContact CZ-CH2 3.46Å; Y310-W411 AromaticContact CZ-CZ2 3.99Å; L318-W411 HydrophobicContact CD1-CZ2 4.09Å; L318-W411 HydrophobicContact CD2-CZ2 4.04Å; H406-W411 PolarHBondContact ND1-O 3.11Å; T409-W411 PolarHBondContact O-N 2.9Å; T409-W411 VanDerWaalsContact OG1-CB 3.22Å; T409-W411 WeakPolarHBondContact OG1-CB 3.47Å; T409-W411 PolarHBondContact OG1-N 3.08Å; T409-W411 VanDerWaalsContact OG1-N 3.09Å; W411-P413 VanDerWaalsContact O-CD 3.29Å; W411-P413 WeakPolarHBondContact O-CD 3.39Å; W411-L444 HydrophobicContact CD2-CD1 4.46Å; W411-L444 HydrophobicContact CE3-CD1 4.02Å; W411-L444 HydrophobicContact CE3-CG 3.78Å; W411-L444 HydrophobicContact CH2-CD2 4.43Å; W411-L444 HydrophobicContact CH2-CG 4.3Å; W411-L444 HydrophobicContact CZ3-CD1 4.19Å; W411-L444 HydrophobicContact CZ3-CD2 4.11Å; W411-L444 HydrophobicContact CZ3-CG 3.59Å; W411-S546 WeakPolarHBondContact CB-OG 3.33Å; W411-S546 VanDerWaalsContact CE3-O 3.28Å; W411-W547 VanDerWaalsContact CB-O 3.3Å; W411-W547 WeakPolarHBondContact CB-O 3.5Å; W411-N548 HydrophobicContact CD2-CB 4.22Å; W411-N548 HydrophobicContact CE3-CB 4.04Å; W411-N548 HydrophobicContact CH2-CB 3.65Å; W411-N548 HydrophobicContact CZ2-CB 3.87Å; W411-N548 HydrophobicContact CZ3-CB 3.73Å; W411-P549 VanDerWaalsContact CD1-CD 3.5Å | ||
| 412 | I | 96.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 114.8 | -167.6 | -49.8 | 167.8 | 0 | 0 | 0 | 109.7 | S546 W547 P549 F552 W598 L600 L651 Y684 | I412-S546 CarbonylContact O-C 3.59Å; I412-S546 WeakPolarHBondContact O-CA 3.26Å; I412-W547 HydrophobicContact CB-CB 4.15Å; I412-W547 PolarHBondContact N-O 3.02Å; I412-W547 PolarHBondContact O-N 3.33Å; I412-P549 HydrophobicContact CD1-CB 4.47Å; I412-P549 HydrophobicContact CG1-CB 4.48Å; I412-F552 HydrophobicContact CD1-CD2 3.91Å; I412-F552 HydrophobicContact CD1-CE2 3.67Å; I412-W598 HydrophobicContact CD1-CE3 4.15Å; I412-W598 HydrophobicContact CD1-CZ3 4.45Å; I412-W598 HydrophobicContact CG2-CE3 4.24Å; I412-L600 HydrophobicContact CG2-CD2 4.44Å; I412-L651 HydrophobicContact CG2-CD1 3.68Å; I412-L651 HydrophobicContact CG2-CD2 4.07Å; I412-L651 HydrophobicContact CG2-CG 4.49Å; I412-Y684 HydrophobicContact CD1-CD1 3.81Å; I412-Y684 HydrophobicContact CD1-CD2 3.77Å; I412-Y684 HydrophobicContact CD1-CE1 3.82Å; I412-Y684 HydrophobicContact CD1-CE2 3.76Å; I412-Y684 HydrophobicContact CD1-CG 3.76Å; I412-Y684 HydrophobicContact CG1-CD2 4.3Å; I412-Y684 HydrophobicContact CG1-CE1 4.06Å; I412-Y684 HydrophobicContact CG1-CE2 3.78Å; I412-Y684 HydrophobicContact CG2-CE2 4.34Å |
| 413 | P | 96.1 | Very high | 85 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 143 | -177 | 31.7 | -34.6 | 0 | 0 | 0 | 112.4 | N402 H406 W411 L545 L600 H649 | N402-P413 HydrophobicContact CB-CB 3.79Å; H406-P413 HydrophobicContact CB-CG 4.35Å; W411-P413 VanDerWaalsContact O-CD 3.29Å; W411-P413 WeakPolarHBondContact O-CD 3.39Å; P413-L545 CarbonylContact C-O 3.55Å; P413-L545 WeakPolarHBondContact CA-O 3.41Å; P413-L600 HydrophobicContact CG-CD1 3.92Å; P413-H649 HydrophobicContact CB-CB 4.47Å; P413-H649 HydrophobicContact CG-CB 3.61Å |
| 414 | E | 93.8 | Very high | 83.7 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 143.6 | 171.2 | 172.9 | 177 | -148.7 | 0 | 0 | 110.4 | N402 I416 L545 W547 L651 K653 | N402-E414 PolarHBondContact ND2-O 2.87Å; N402-E414 VanDerWaalsContact ND2-O 3.11Å; N402-E414 PolarHBondContact OD1-O 2.88Å; N402-E414 VanDerWaalsContact OD1-O 3.08Å; E414-I416 HydrophobicContact CG-CG1 4.39Å; E414-L545 HydrophobicContact CB-CB 4.22Å; E414-L545 PolarHBondContact N-O 3.49Å; E414-L545 PolarHBondContact O-N 2.92Å; E414-W547 VanDerWaalsContact OE2-CE2 3.3Å; E414-W547 WeakPolarHBondContact OE2-CZ2 3.34Å; E414-W547 PolarHBondContact OE2-NE1 3.34Å; E414-L651 HydrophobicContact CB-CD2 3.94Å; E414-K653 WeakPolarHBondContact OE1-CE 3.37Å; E414-K653 IonicContact OE1-NZ 2.76Å; E414-K653 PolarHBondContact OE1-NZ 2.79Å; E414-K653 IonicContact OE2-NZ 2.87Å; E414-K653 PolarHBondContact OE2-NZ 3.27Å |
| 415 | R | 91.3 | Very high | 83.1 | Confident | 136 Ų | 136 | 49.2 Ų | 49.2 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.8 | 177.2 | -175.4 | 179.4 | 179 | -85.7 | 1.5 | 110 | V542 Y544 | R415-V542 HydrophobicContact CG-CG1 3.52Å; R415-Y544 HydrophobicContact CB-CD1 4.4Å; R415-Y544 HydrophobicContact CB-CE1 4.47Å; R415-Y544 HydrophobicContact CG-CD1 4.14Å; R415-Y544 HydrophobicContact CG-CE1 3.86Å |
| 416 | I | 90.3 | Very high | 82.8 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 14% | 0.138 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 115 | 172.6 | -57.6 | -179.6 | 0 | 0 | 0 | 108.3 | E414 F425 T430 M433 V542 I543 L545 | E414-I416 HydrophobicContact CG-CG1 4.39Å; I416-F425 HydrophobicContact CG2-CD2 4.01Å; I416-F425 HydrophobicContact CG2-CE2 4.01Å; I416-T430 HydrophobicContact CD1-CG2 4.37Å; I416-M433 HydrophobicContact CD1-CE 3.97Å; I416-V542 WeakPolarHBondContact O-CA 3.49Å; I416-I543 HydrophobicContact CB-CB 4.38Å; I416-I543 PolarHBondContact N-O 2.9Å; I416-I543 PolarHBondContact O-N 2.88Å; I416-L545 HydrophobicContact CD1-CD1 3.52Å; I416-L545 HydrophobicContact CD1-CG 4.27Å; I416-L545 HydrophobicContact CG1-CD1 4.3Å |
| 417 | A | 88.8 | Confident | 82.5 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 133.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 418 | M | 83.4 | Confident | 82.2 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | trans | -100.2 | -6.3 | -173.6 | -58.9 | -172.5 | 78 | 0 | 0 | 114.3 | F425 W533 L536 C537 D541 I543 | M418-F425 HydrophobicContact CB-CE1 4.31Å; M418-F425 HydrophobicContact CB-CZ 4.38Å; M418-F425 HydrophobicContact CE-CE1 4.16Å; M418-F425 HydrophobicContact CE-CZ 3.69Å; M418-F425 HydrophobicContact CG-CE2 4.35Å; M418-F425 HydrophobicContact CG-CZ 4.14Å; M418-W533 HydrophobicContact CE-CH2 3.9Å; M418-W533 HydrophobicContact CE-CZ2 4.5Å; M418-W533 HydrophobicContact CE-CZ3 4.12Å; M418-L536 HydrophobicContact CE-CD2 3.55Å; M418-L536 HydrophobicContact SD-CD2 3.71Å; M418-C537 HydrophobicContact CE-CB 3.89Å; M418-C537 WeakPolarHBondContact CE-SG 3.36Å; M418-D541 PolarHBondContact N-O 2.66Å; M418-I543 HydrophobicContact CE-CD1 3.93Å; M418-I543 HydrophobicContact CE-CG1 4.32Å; M418-I543 HydrophobicContact CG-CD1 4.39Å; M418-I543 HydrophobicContact CG-CG1 4.03Å; M418-I543 HydrophobicContact SD-CD1 3.75Å; M418-I543 HydrophobicContact SD-CG1 3.46Å; M418-I543 WeakPolarHBondContact SD-CG1 3.43Å | ||
| 419 | H | 71.1 | Confident | 82.1 | Confident | 86 Ų | 86 | 65 Ų | 65 | 40% | 0.398 | 34% | 0.339 | S | S | . | . | trans | -53.5 | 139.5 | -176.3 | -63.3 | -69.3 | 0 | 0 | 0 | 113.1 | D421 N422 D541 | H419-D421 PolarHBondContact O-N 3.39Å; H419-D421 VanDerWaalsContact O-N 3.14Å; H419-N422 WeakPolarHBondContact O-CB 3.31Å; H419-N422 PolarHBondContact O-N 3.06Å; H419-D541 IonicContact CE1-OD1 3.85Å; H419-D541 PolarHBondContact CE1-OD1 3.29Å; H419-D541 IonicContact CE1-OD2 2.78Å; H419-D541 PolarHBondContact CE1-OD2 2.98Å; H419-D541 IonicContact ND1-OD1 2.89Å; H419-D541 IonicContact NE2-OD2 3.78Å | ||
| 420 | S | 52.3 | Low | 82 | Confident | 117 Ų | 117 | 64.4 Ų | 64.4 | 82% | 0.818 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28 | 179.1 | 48.4 | 0 | 0 | 0 | 0 | 114.3 | N422 | S420-N422 VanDerWaalsContact C-N 3.25Å; S420-N422 PolarHBondContact O-N 3.26Å |
| 421 | D | 55.3 | Low | 82 | Confident | 145 Ų | 145 | 63.9 Ų | 63.9 | 78% | 0.775 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11.6 | -176.5 | -56.5 | -11.6 | 0 | 0 | 0 | 112.2 | H419 Q423 | H419-D421 PolarHBondContact O-N 3.39Å; H419-D421 VanDerWaalsContact O-N 3.14Å; D421-Q423 PolarHBondContact O-N 3.22Å |
| 422 | N | 57.2 | Low | 81.9 | Confident | 63 Ų | 63 | 69.5 Ų | 69.5 | 34% | 0.337 | 35% | 0.351 | S | S | . | . | trans | -84 | 95.1 | 177 | -168.2 | 7.6 | 0 | 0 | 0 | 110 | H419 S420 S424 F425 | H419-N422 WeakPolarHBondContact O-CB 3.31Å; H419-N422 PolarHBondContact O-N 3.06Å; S420-N422 VanDerWaalsContact C-N 3.25Å; S420-N422 PolarHBondContact O-N 3.26Å; N422-S424 VanDerWaalsContact CG-OG 3.25Å; N422-S424 PolarHBondContact ND2-OG 2.87Å; N422-S424 PolarHBondContact O-N 3.48Å; N422-S424 PolarHBondContact OD1-OG 3.05Å; N422-F425 PolarHBondContact O-N 2.81Å | ||
| 423 | Q | 56.2 | Low | 81.8 | Confident | 203 Ų | 203 | 72 Ų | 72 | 95% | 0.949 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -14.1 | 178.2 | -69.6 | 178.2 | -1.1 | 0 | 0 | 114.4 | D421 | D421-Q423 PolarHBondContact O-N 3.22Š|
| 424 | S | 65.9 | Low | 81.8 | Confident | 93 Ų | 93 | 71.9 Ų | 71.9 | 65% | 0.65 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12.7 | 179.2 | 69.2 | 0 | 0 | 0 | 0 | 115.2 | N422 N426 | N422-S424 VanDerWaalsContact CG-OG 3.25Å; N422-S424 PolarHBondContact ND2-OG 2.87Å; N422-S424 PolarHBondContact O-N 3.48Å; N422-S424 PolarHBondContact OD1-OG 3.05Å; S424-N426 PolarHBondContact O-N 2.92Å |
| 425 | F | 82.4 | Confident | 81.8 | Confident | 33 Ų | 33 | 72.8 Ų | 72.8 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | trans | -83.9 | 106.2 | -176.3 | -178.2 | -115.7 | 0 | 0 | 0 | 112 | I416 M418 N422 K427 T430 W533 | I416-F425 HydrophobicContact CG2-CD2 4.01Å; I416-F425 HydrophobicContact CG2-CE2 4.01Å; M418-F425 HydrophobicContact CB-CE1 4.31Å; M418-F425 HydrophobicContact CB-CZ 4.38Å; M418-F425 HydrophobicContact CE-CE1 4.16Å; M418-F425 HydrophobicContact CE-CZ 3.69Å; M418-F425 HydrophobicContact CG-CE2 4.35Å; M418-F425 HydrophobicContact CG-CZ 4.14Å; N422-F425 PolarHBondContact O-N 2.81Å; F425-K427 HydrophobicContact CD1-CG 4.17Å; F425-K427 HydrophobicContact CE1-CG 3.6Å; F425-K427 HydrophobicContact CZ-CG 4.32Å; F425-T430 HydrophobicContact CE2-CG2 3.95Å; F425-T430 WeakPolarHBondContact CE2-OG1 3.2Å; F425-W533 HydrophobicContact CZ-CH2 4.27Å; F425-W533 HydrophobicContact CZ-CZ2 4.07Å | ||
| 426 | N | 88.3 | Confident | 82 | Confident | 74 Ų | 74 | 70.6 Ų | 70.6 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | trans | -97.3 | 111.8 | 172.2 | -174.3 | -41.1 | 0 | 0 | 0 | 110.5 | S424 E428 D429 T430 | S424-N426 PolarHBondContact O-N 2.92Å; N426-E428 VanDerWaalsContact C-N 3.31Å; N426-E428 PolarHBondContact O-N 2.72Å; N426-E428 WeakPolarHBondContact OD1-CA 3.43Å; N426-E428 VanDerWaalsContact OD1-CB 3.32Å; N426-E428 WeakPolarHBondContact OD1-CB 3.11Å; N426-E428 PolarHBondContact OD1-N 2.97Å; N426-D429 HydrophobicContact CB-CB 4.15Å; N426-D429 PolarHBondContact ND2-OD2 2.6Å; N426-D429 VanDerWaalsContact ND2-OD2 3.16Å; N426-D429 PolarHBondContact OD1-N 2.57Å; N426-T430 VanDerWaalsContact O-CB 3.27Å; N426-T430 WeakPolarHBondContact O-CB 3.29Å; N426-T430 PolarHBondContact O-N 3.18Å; N426-T430 PolarHBondContact O-OG1 3.14Å | ||
| 427 | K | 89 | Confident | 82.2 | Confident | 107 Ų | 107 | 73.2 Ų | 73.2 | 47% | 0.465 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 180 | -69.6 | -176.5 | -179 | -174.6 | 0 | 112.9 | F425 F431 W533 C537 | F425-K427 HydrophobicContact CD1-CG 4.17Å; F425-K427 HydrophobicContact CE1-CG 3.6Å; F425-K427 HydrophobicContact CZ-CG 4.32Å; K427-F431 WeakPolarHBondContact O-CB 3.27Å; K427-F431 PolarHBondContact O-N 3.25Å; K427-F431 VanDerWaalsContact O-N 3.15Å; K427-W533 WeakPolarHBondContact O-CZ2 3.45Å; K427-W533 PolarHBondContact O-NE1 2.96Å; K427-W533 VanDerWaalsContact O-NE1 3.11Å; K427-C537 HydrophobicContact CD-CB 4.32Å |
| 428 | E | 89.9 | Confident | 82.4 | Confident | 89 Ų | 89 | 72.7 Ų | 72.7 | 42% | 0.416 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.6 | -55.1 | -177.2 | -176.2 | 61 | -147.4 | 0 | 0 | 111.3 | N426 T430 F431 R432 R480 | N426-E428 VanDerWaalsContact C-N 3.31Å; N426-E428 PolarHBondContact O-N 2.72Å; N426-E428 WeakPolarHBondContact OD1-CA 3.43Å; N426-E428 VanDerWaalsContact OD1-CB 3.32Å; N426-E428 WeakPolarHBondContact OD1-CB 3.11Å; N426-E428 PolarHBondContact OD1-N 2.97Å; E428-T430 VanDerWaalsContact C-N 3.28Å; E428-T430 PolarHBondContact O-N 3.03Å; E428-F431 PolarHBondContact O-N 3.27Å; E428-R432 WeakPolarHBondContact O-CB 3.49Å; E428-R432 PolarHBondContact O-N 2.95Å; E428-R480 IonicContact OE1-CZ 2.67Å; E428-R480 IonicContact OE1-NH1 2.96Å; E428-R480 IonicContact OE1-NH2 2.74Å; E428-R480 PolarHBondContact OE1-NH2 3.23Å; E428-R480 IonicContact OE2-CZ 2.71Å; E428-R480 IonicContact OE2-NH1 3.47Å; E428-R480 PolarHBondContact OE2-NH1 2.85Å; E428-R480 IonicContact OE2-NH2 3.52Å; E428-R480 PolarHBondContact OE2-NH2 3.23Å |
| 429 | D | 91.1 | Very high | 82.7 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | -176.9 | -76 | -38.2 | 0 | 0 | 0 | 111.5 | N426 R432 M433 | N426-D429 HydrophobicContact CB-CB 4.15Å; N426-D429 PolarHBondContact ND2-OD2 2.6Å; N426-D429 VanDerWaalsContact ND2-OD2 3.16Å; N426-D429 PolarHBondContact OD1-N 2.57Å; D429-R432 IonicContact OD1-CZ 3.27Å; D429-R432 IonicContact OD1-NE 3.11Å; D429-R432 IonicContact OD1-NH2 2.82Å; D429-R432 PolarHBondContact OD1-NH2 2.83Å; D429-M433 WeakPolarHBondContact O-CB 3.44Å; D429-M433 PolarHBondContact O-N 3.02Å |
| 430 | T | 92.8 | Very high | 83.6 | Confident | 16 Ų | 16 | 79.1 Ų | 79.1 | 10% | 0.098 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.9 | -52.4 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 110.4 | I416 F425 N426 E428 R432 M433 L434 W533 | I416-T430 HydrophobicContact CD1-CG2 4.37Å; F425-T430 HydrophobicContact CE2-CG2 3.95Å; F425-T430 WeakPolarHBondContact CE2-OG1 3.2Å; N426-T430 VanDerWaalsContact O-CB 3.27Å; N426-T430 WeakPolarHBondContact O-CB 3.29Å; N426-T430 PolarHBondContact O-N 3.18Å; N426-T430 PolarHBondContact O-OG1 3.14Å; E428-T430 VanDerWaalsContact C-N 3.28Å; E428-T430 PolarHBondContact O-N 3.03Å; T430-R432 VanDerWaalsContact C-N 3.32Å; T430-R432 PolarHBondContact O-N 3.17Å; T430-M433 HydrophobicContact CG2-CE 3.88Å; T430-M433 PolarHBondContact O-N 3.39Å; T430-M433 VanDerWaalsContact O-N 3.16Å; T430-L434 HydrophobicContact CG2-CD1 4.02Å; T430-L434 HydrophobicContact CG2-CG 4.17Å; T430-L434 VanDerWaalsContact O-CG 3.3Å; T430-L434 WeakPolarHBondContact O-CG 3.24Å; T430-L434 PolarHBondContact O-N 3.16Å; T430-W533 HydrophobicContact CG2-CH2 4.07Å; T430-W533 HydrophobicContact CG2-CZ2 4.36Å |
| 431 | F | 94.3 | Very high | 85.5 | Confident | 3 Ų | 3 | 73.6 Ų | 73.6 | 1% | 0.013 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 179.9 | -179 | -94.5 | 0 | 0 | 0 | 111.7 | K427 E428 M433 L434 F435 I473 R480 L482 W533 | K427-F431 WeakPolarHBondContact O-CB 3.27Å; K427-F431 PolarHBondContact O-N 3.25Å; K427-F431 VanDerWaalsContact O-N 3.15Å; E428-F431 PolarHBondContact O-N 3.27Å; F431-M433 VanDerWaalsContact C-N 3.31Å; F431-M433 PolarHBondContact O-N 3.44Å; F431-L434 PolarHBondContact O-N 2.61Å; F431-F435 HydrophobicContact CE1-CB 4.17Å; F431-F435 HydrophobicContact CE1-CD2 4.39Å; F431-F435 HydrophobicContact CE1-CG 4.46Å; F431-F435 HydrophobicContact CZ-CB 4.48Å; F431-F435 HydrophobicContact CZ-CD2 4.29Å; F431-F435 VanDerWaalsContact O-CB 3.31Å; F431-F435 WeakPolarHBondContact O-CB 3.14Å; F431-F435 PolarHBondContact O-N 3.04Å; F431-I473 HydrophobicContact CE2-CG2 3.67Å; F431-I473 HydrophobicContact CZ-CG2 3.82Å; F431-R480 HydrophobicContact CD1-CG 3.97Å; F431-R480 HydrophobicContact CD2-CB 4.19Å; F431-R480 HydrophobicContact CD2-CG 4.41Å; F431-R480 HydrophobicContact CE1-CB 4.08Å; F431-R480 HydrophobicContact CE1-CG 3.53Å; F431-R480 HydrophobicContact CE2-CB 3.62Å; F431-R480 HydrophobicContact CE2-CG 4.01Å; F431-R480 HydrophobicContact CG-CG 4.39Å; F431-R480 HydrophobicContact CZ-CB 3.56Å; F431-R480 HydrophobicContact CZ-CG 3.55Å; F431-L482 HydrophobicContact CE2-CD1 4.26Å; F431-W533 HydrophobicContact CB-CD2 4.21Å; F431-W533 HydrophobicContact CB-CG 4.46Å; F431-W533 HydrophobicContact CB-CZ2 4.06Å; F431-W533 HydrophobicContact CD2-CB 4.14Å; F431-W533 AromaticContact CD2-CD2 3.74Å; F431-W533 HydrophobicContact CD2-CD2 3.74Å; F431-W533 HydrophobicContact CD2-CE3 4.07Å; F431-W533 AromaticContact CD2-CG 3.78Å; F431-W533 HydrophobicContact CD2-CG 3.78Å; F431-W533 HydrophobicContact CE2-CB 4.37Å; F431-W533 HydrophobicContact CE2-CG 4.48Å; F431-W533 HydrophobicContact CG-CD2 4.39Å; F431-W533 HydrophobicContact CG-CG 4.37Å |
| 432 | R | 94.2 | Very high | 87.3 | Confident | 131 Ų | 131 | 67.8 Ų | 67.8 | 49% | 0.494 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 178.3 | -177.7 | 176.3 | 62.4 | 168.3 | -3.8 | 111.9 | E428 D429 T430 Q436 | E428-R432 WeakPolarHBondContact O-CB 3.49Å; E428-R432 PolarHBondContact O-N 2.95Å; D429-R432 IonicContact OD1-CZ 3.27Å; D429-R432 IonicContact OD1-NE 3.11Å; D429-R432 IonicContact OD1-NH2 2.82Å; D429-R432 PolarHBondContact OD1-NH2 2.83Å; T430-R432 VanDerWaalsContact C-N 3.32Å; T430-R432 PolarHBondContact O-N 3.17Å; R432-Q436 WeakPolarHBondContact O-CB 3.46Å; R432-Q436 VanDerWaalsContact O-CG 3.24Å; R432-Q436 WeakPolarHBondContact O-CG 3.31Å; R432-Q436 PolarHBondContact O-N 2.89Å |
| 433 | M | 94.6 | Very high | 89.1 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 177 | 173.9 | -84.8 | -48.7 | 0 | 0 | 111.5 | I416 D429 T430 F431 R437 L545 W547 | I416-M433 HydrophobicContact CD1-CE 3.97Å; D429-M433 WeakPolarHBondContact O-CB 3.44Å; D429-M433 PolarHBondContact O-N 3.02Å; T430-M433 HydrophobicContact CG2-CE 3.88Å; T430-M433 PolarHBondContact O-N 3.39Å; T430-M433 VanDerWaalsContact O-N 3.16Å; F431-M433 VanDerWaalsContact C-N 3.31Å; F431-M433 PolarHBondContact O-N 3.44Å; M433-R437 VanDerWaalsContact O-CB 3.28Å; M433-R437 WeakPolarHBondContact O-CB 3.14Å; M433-R437 WeakPolarHBondContact O-CG 3.37Å; M433-R437 PolarHBondContact O-N 3.22Å; M433-L545 HydrophobicContact CE-CD1 4.22Å; M433-L545 HydrophobicContact SD-CD1 4.29Å; M433-W547 HydrophobicContact CG-CH2 4.42Å; M433-W547 HydrophobicContact SD-CH2 3.57Å; M433-W547 VanDerWaalsContact SD-CH2 3.57Å; M433-W547 HydrophobicContact SD-CZ2 3.92Å |
| 434 | L | 95.4 | Very high | 91 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -51.4 | 176.3 | -64.1 | -179.6 | 0 | 0 | 0 | 111 | T430 F431 Q436 R437 F438 I445 I473 W533 I543 L545 | T430-L434 HydrophobicContact CG2-CD1 4.02Å; T430-L434 HydrophobicContact CG2-CG 4.17Å; T430-L434 VanDerWaalsContact O-CG 3.3Å; T430-L434 WeakPolarHBondContact O-CG 3.24Å; T430-L434 PolarHBondContact O-N 3.16Å; F431-L434 PolarHBondContact O-N 2.61Å; L434-Q436 PolarHBondContact O-N 3.13Å; L434-R437 PolarHBondContact O-N 3.49Å; L434-F438 WeakPolarHBondContact O-CB 3.07Å; L434-F438 PolarHBondContact O-N 3.32Å; L434-I445 HydrophobicContact CB-CD1 4.23Å; L434-I445 HydrophobicContact CD2-CD1 3.95Å; L434-I473 HydrophobicContact CB-CD1 4.07Å; L434-W533 HydrophobicContact CD1-CH2 4.13Å; L434-W533 HydrophobicContact CD1-CZ3 4.16Å; L434-I543 HydrophobicContact CD1-CD1 3.83Å; L434-L545 HydrophobicContact CD2-CD1 4.03Å; L434-L545 HydrophobicContact CD2-CD2 3.41Å; L434-L545 VanDerWaalsContact CD2-CD2 3.41Å; L434-L545 HydrophobicContact CD2-CG 4.36Å |
| 435 | F | 94.9 | Very high | 92.5 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 25% | 0.254 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.2 | -51.5 | -179.9 | -177.7 | -94.8 | 0 | 0 | 0 | 111.4 | F431 H439 I473 E475 | F431-F435 HydrophobicContact CE1-CB 4.17Å; F431-F435 HydrophobicContact CE1-CD2 4.39Å; F431-F435 HydrophobicContact CE1-CG 4.46Å; F431-F435 HydrophobicContact CZ-CB 4.48Å; F431-F435 HydrophobicContact CZ-CD2 4.29Å; F431-F435 VanDerWaalsContact O-CB 3.31Å; F431-F435 WeakPolarHBondContact O-CB 3.14Å; F431-F435 PolarHBondContact O-N 3.04Å; F435-H439 AromaticContact CD2-CE1 3.58Å; F435-H439 AromaticContact CD2-ND1 3.94Å; F435-H439 AromaticContact CE2-CE1 3.33Å; F435-H439 WeakPolarHBondContact CE2-CE1 3.24Å; F435-H439 AromaticContact CE2-ND1 3.95Å; F435-H439 AromaticContact CZ-CE1 3.79Å; F435-H439 PolarHBondContact O-N 2.87Å; F435-H439 PolarHBondContact O-ND1 3.01Å; F435-I473 HydrophobicContact CB-CG2 4.39Å; F435-I473 HydrophobicContact CD2-CB 4.38Å; F435-I473 HydrophobicContact CD2-CG2 3.83Å; F435-E475 HydrophobicContact CE2-CB 4.34Å |
| 436 | Q | 94.2 | Very high | 93.2 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 42% | 0.416 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.3 | -45.2 | -178.2 | -71.2 | 177.3 | 2.2 | 0 | 0 | 112.7 | R432 L434 R440 | R432-Q436 WeakPolarHBondContact O-CB 3.46Å; R432-Q436 VanDerWaalsContact O-CG 3.24Å; R432-Q436 WeakPolarHBondContact O-CG 3.31Å; R432-Q436 PolarHBondContact O-N 2.89Å; L434-Q436 PolarHBondContact O-N 3.13Å; Q436-R440 WeakPolarHBondContact O-CG 3.16Å; Q436-R440 PolarHBondContact O-N 3.25Å |
| 437 | R | 94.3 | Very high | 93.5 | Very high | 82 Ų | 82 | 45.9 Ų | 45.9 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -74.6 | -36.4 | -174.7 | -65.4 | -65.3 | -176.8 | 179.9 | 3.2 | 112.3 | M433 L434 R440 G441 D442 V443 W547 | M433-R437 VanDerWaalsContact O-CB 3.28Å; M433-R437 WeakPolarHBondContact O-CB 3.14Å; M433-R437 WeakPolarHBondContact O-CG 3.37Å; M433-R437 PolarHBondContact O-N 3.22Å; L434-R437 PolarHBondContact O-N 3.49Å; R437-R440 PolarHBondContact O-N 2.88Å; R437-G441 PolarHBondContact O-N 3Å; R437-D442 HydrophobicContact CB-CB 4.22Å; R437-D442 WeakPolarHBondContact CD-OD2 3.41Å; R437-D442 IonicContact CZ-OD2 2.86Å; R437-D442 IonicContact NH1-OD2 3.92Å; R437-D442 PolarHBondContact NH1-OD2 2.85Å; R437-D442 WeakPolarHBondContact O-CB 3.47Å; R437-D442 PolarHBondContact O-N 3.38Å; R437-V443 HydrophobicContact CB-CB 4.42Å; R437-V443 HydrophobicContact CB-CG1 3.69Å; R437-W547 HydrophobicContact CB-CH2 4.36Å; R437-W547 HydrophobicContact CB-CZ3 3.9Å; R437-W547 HydrophobicContact CG-CH2 4.01Å; R437-W547 HydrophobicContact CG-CZ3 3.69Å |
| 438 | F | 93.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 175.9 | 179.6 | -102.7 | 0 | 0 | 0 | 112.2 | Y314 L434 R440 G441 V443 I445 L471 I473 | Y314-F438 PolarHBondContact OH-O 3.37Å; L434-F438 WeakPolarHBondContact O-CB 3.07Å; L434-F438 PolarHBondContact O-N 3.32Å; F438-R440 VanDerWaalsContact C-N 3.32Å; F438-R440 PolarHBondContact O-N 3.39Å; F438-G441 PolarHBondContact O-N 3.41Å; F438-G441 VanDerWaalsContact O-N 3.12Å; F438-V443 HydrophobicContact CB-CG1 4.42Å; F438-I445 HydrophobicContact CB-CD1 4.04Å; F438-I445 HydrophobicContact CD2-CD1 3.82Å; F438-I445 HydrophobicContact CD2-CG1 4.41Å; F438-I445 HydrophobicContact CG-CD1 4.29Å; F438-L471 WeakPolarHBondContact CZ-O 3.31Å; F438-I473 HydrophobicContact CB-CD1 3.91Å; F438-I473 HydrophobicContact CD1-CB 4.19Å; F438-I473 HydrophobicContact CD1-CD1 4.13Å; F438-I473 HydrophobicContact CD1-CG1 3.93Å; F438-I473 HydrophobicContact CD2-CD1 4.33Å; F438-I473 HydrophobicContact CE1-CB 4.42Å; F438-I473 HydrophobicContact CE1-CG1 4.11Å; F438-I473 HydrophobicContact CG-CD1 3.89Å; F438-I473 HydrophobicContact CG-CG1 4.16Å |
| 439 | H | 89.6 | Confident | 93.8 | Very high | 73 Ų | 73 | 37.5 Ų | 37.5 | 34% | 0.338 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -72.1 | -22.4 | 179.7 | -72.8 | 87.7 | 0 | 0 | 0 | 114.1 | Y314 F435 G441 I473 | Y314-H439 VanDerWaalsContact OH-C 3.3Å; Y314-H439 PolarHBondContact OH-O 2.74Å; Y314-H439 VanDerWaalsContact OH-O 3.13Å; F435-H439 AromaticContact CD2-CE1 3.58Å; F435-H439 AromaticContact CD2-ND1 3.94Å; F435-H439 AromaticContact CE2-CE1 3.33Å; F435-H439 WeakPolarHBondContact CE2-CE1 3.24Å; F435-H439 AromaticContact CE2-ND1 3.95Å; F435-H439 AromaticContact CZ-CE1 3.79Å; F435-H439 PolarHBondContact O-N 2.87Å; F435-H439 PolarHBondContact O-ND1 3.01Å; H439-G441 VanDerWaalsContact C-N 3.29Å; H439-I473 PolarHBondContact CE1-O 3.12Å; H439-I473 PolarHBondContact NE2-O 3.24Å |
| 440 | R | 90.6 | Very high | 93.5 | Very high | 154 Ų | 154 | 34.4 Ų | 34.4 | 58% | 0.581 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -78.9 | -13.8 | 171 | -72.6 | 177.6 | 178.7 | 173.5 | 1.6 | 113 | Q436 R437 F438 D442 | Q436-R440 WeakPolarHBondContact O-CG 3.16Å; Q436-R440 PolarHBondContact O-N 3.25Å; R437-R440 PolarHBondContact O-N 2.88Å; F438-R440 VanDerWaalsContact C-N 3.32Å; F438-R440 PolarHBondContact O-N 3.39Å; R440-D442 VanDerWaalsContact C-N 3.33Å; R440-D442 HydrophobicContact CB-CB 4.49Å |
| 441 | G | 90.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 28 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y310 Y314 R437 F438 H439 | Y310-G441 WeakPolarHBondContact CE2-O 3.43Å; Y310-G441 PolarHBondContact OH-O 3.23Å; Y314-G441 PolarHBondContact OH-N 3.17Å; R437-G441 PolarHBondContact O-N 3Å; F438-G441 PolarHBondContact O-N 3.41Å; F438-G441 VanDerWaalsContact O-N 3.12Å; H439-G441 VanDerWaalsContact C-N 3.29Å |
| 442 | D | 93.8 | Very high | 92.7 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | trans | -88.1 | -14.9 | -177.9 | -68.8 | -14.3 | 0 | 0 | 0 | 112.6 | R437 R440 N548 L551 | R437-D442 HydrophobicContact CB-CB 4.22Å; R437-D442 WeakPolarHBondContact CD-OD2 3.41Å; R437-D442 IonicContact CZ-OD2 2.86Å; R437-D442 IonicContact NH1-OD2 3.92Å; R437-D442 PolarHBondContact NH1-OD2 2.85Å; R437-D442 WeakPolarHBondContact O-CB 3.47Å; R437-D442 PolarHBondContact O-N 3.38Å; R440-D442 VanDerWaalsContact C-N 3.33Å; R440-D442 HydrophobicContact CB-CB 4.49Å; D442-N548 WeakPolarHBondContact O-CB 3.11Å; D442-N548 PolarHBondContact O-N 3.43Å; D442-L551 HydrophobicContact CB-CD1 4.24Å; D442-L551 HydrophobicContact CB-CD2 3.92Å; D442-L551 HydrophobicContact CB-CG 4.49Å; D442-L551 VanDerWaalsContact CG-CD2 3.48Å | ||
| 443 | V | 95.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 142.4 | -169.7 | 68.5 | 0 | 0 | 0 | 0 | 112.4 | R437 F438 I445 L545 S546 W547 | R437-V443 HydrophobicContact CB-CB 4.42Å; R437-V443 HydrophobicContact CB-CG1 3.69Å; F438-V443 HydrophobicContact CB-CG1 4.42Å; V443-I445 HydrophobicContact CG1-CD1 4.04Å; V443-I445 HydrophobicContact CG1-CG1 4.02Å; V443-I445 HydrophobicContact CG2-CG1 4.17Å; V443-L545 HydrophobicContact CG2-CB 3.92Å; V443-L545 HydrophobicContact CG2-CD2 4.08Å; V443-L545 HydrophobicContact CG2-CG 4.46Å; V443-S546 CarbonylContact C-O 3.59Å; V443-S546 VanDerWaalsContact CA-O 3.31Å; V443-S546 WeakPolarHBondContact CA-O 3.47Å; V443-S546 WeakPolarHBondContact CG2-O 3.33Å; V443-W547 HydrophobicContact CB-CD2 4.41Å; V443-W547 HydrophobicContact CB-CE3 3.91Å; V443-W547 HydrophobicContact CB-CZ3 4.09Å; V443-W547 HydrophobicContact CG2-CD2 4.06Å; V443-W547 HydrophobicContact CG2-CE3 4.05Å; V443-W547 HydrophobicContact CG2-CZ3 4.32Å |
| 444 | L | 96.4 | Very high | 92 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.8 | 164.2 | -53.8 | 175.9 | 0 | 0 | 0 | 108.8 | I306 Y310 L318 L405 T409 W411 S546 | I306-L444 HydrophobicContact CG1-CB 4.16Å; I306-L444 HydrophobicContact CG1-CD2 4.24Å; Y310-L444 VanDerWaalsContact CB-CD2 3.49Å; Y310-L444 HydrophobicContact CD1-CD2 4.47Å; Y310-L444 HydrophobicContact CD2-CD2 3.37Å; Y310-L444 HydrophobicContact CE2-CD2 4.22Å; Y310-L444 HydrophobicContact CG-CD2 3.53Å; L318-L444 HydrophobicContact CD1-CD1 4.19Å; L405-L444 HydrophobicContact CD1-CB 4.4Å; L405-L444 HydrophobicContact CD2-CB 4.5Å; L405-L444 HydrophobicContact CD2-CD1 3.93Å; T409-L444 HydrophobicContact CG2-CD1 4.08Å; W411-L444 HydrophobicContact CD2-CD1 4.46Å; W411-L444 HydrophobicContact CE3-CD1 4.02Å; W411-L444 HydrophobicContact CE3-CG 3.78Å; W411-L444 HydrophobicContact CH2-CD2 4.43Å; W411-L444 HydrophobicContact CH2-CG 4.3Å; W411-L444 HydrophobicContact CZ3-CD1 4.19Å; W411-L444 HydrophobicContact CZ3-CD2 4.11Å; W411-L444 HydrophobicContact CZ3-CG 3.59Å; L444-S546 PolarHBondContact N-O 2.95Å; L444-S546 PolarHBondContact O-N 2.92Å |
| 445 | I | 96.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 130.1 | -171.2 | -50.7 | 171.3 | 0 | 0 | 0 | 109.7 | L434 F438 V443 V470 I473 I543 L545 | L434-I445 HydrophobicContact CB-CD1 4.23Å; L434-I445 HydrophobicContact CD2-CD1 3.95Å; F438-I445 HydrophobicContact CB-CD1 4.04Å; F438-I445 HydrophobicContact CD2-CD1 3.82Å; F438-I445 HydrophobicContact CD2-CG1 4.41Å; F438-I445 HydrophobicContact CG-CD1 4.29Å; V443-I445 HydrophobicContact CG1-CD1 4.04Å; V443-I445 HydrophobicContact CG1-CG1 4.02Å; V443-I445 HydrophobicContact CG2-CG1 4.17Å; I445-V470 HydrophobicContact CB-CB 3.94Å; I445-V470 HydrophobicContact CB-CG1 4.49Å; I445-V470 HydrophobicContact CB-CG2 4.09Å; I445-V470 HydrophobicContact CG2-CB 3.99Å; I445-V470 HydrophobicContact CG2-CG1 4.49Å; I445-V470 HydrophobicContact CG2-CG2 3.59Å; I445-V470 WeakPolarHBondContact O-CB 3.19Å; I445-V470 PolarHBondContact O-N 3.21Å; I445-I473 HydrophobicContact CD1-CD1 3.77Å; I445-I543 HydrophobicContact CG2-CG2 3.73Å; I445-L545 HydrophobicContact CB-CD2 4.32Å; I445-L545 HydrophobicContact CD1-CD2 4.5Å; I445-L545 HydrophobicContact CG1-CD2 3.82Å; I445-L545 HydrophobicContact CG2-CD2 3.96Å |
| 446 | T | 96.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.7 | 169.1 | 49.5 | 0 | 0 | 0 | 0 | 108.6 | I306 S401 L405 Y468 Y544 | I306-T446 HydrophobicContact CG2-CG2 4.05Å; S401-T446 WeakPolarHBondContact CB-OG1 3.32Å; S401-T446 PolarHBondContact OG-OG1 2.84Å; L405-T446 HydrophobicContact CD1-CG2 4.2Å; T446-Y468 CarbonylContact C-O 3.58Å; T446-Y468 VanDerWaalsContact CA-O 3.25Å; T446-Y468 WeakPolarHBondContact CA-O 3.27Å; T446-Y468 WeakPolarHBondContact CB-O 3.29Å; T446-Y544 PolarHBondContact N-O 3.36Å; T446-Y544 VanDerWaalsContact N-O 3.08Å; T446-Y544 PolarHBondContact O-N 3.41Å; T446-Y544 WeakPolarHBondContact OG1-CB 3.22Å |
| 447 | T | 95 | Very high | 90.9 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148.9 | 178.3 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | Y468 V470 L484 L536 Y540 V542 | T447-Y468 PolarHBondContact N-O 2.83Å; T447-Y468 PolarHBondContact O-N 2.85Å; T447-V470 HydrophobicContact CG2-CG2 4.35Å; T447-L484 HydrophobicContact CG2-CD1 3.96Å; T447-L484 HydrophobicContact CG2-CD2 3.97Å; T447-L536 HydrophobicContact CG2-CD1 4.41Å; T447-Y540 HydrophobicContact CG2-CD1 3.53Å; T447-Y540 HydrophobicContact CG2-CE1 3.48Å; T447-Y540 VanDerWaalsContact CG2-CE1 3.48Å; T447-Y540 HydrophobicContact CG2-CG 4.39Å; T447-Y540 WeakPolarHBondContact OG1-CD1 3.46Å; T447-V542 WeakPolarHBondContact CA-O 3.41Å; T447-V542 PolarHBondContact OG1-O 3.47Å |
| 448 | A | 92.9 | Very high | 90.5 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 139.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | H466 D541 V542 Y544 | A448-H466 VanDerWaalsContact CA-O 3.24Å; A448-H466 WeakPolarHBondContact CA-O 3.44Å; A448-D541 PolarHBondContact O-N 2.95Å; A448-V542 PolarHBondContact N-O 3.2Å; A448-V542 PolarHBondContact O-N 3.46Å; A448-Y544 HydrophobicContact CB-CD2 4.43Å; A448-Y544 HydrophobicContact CB-CE2 3.73Å |
| 449 | T | 91.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.043 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 150.8 | 173.6 | 48.6 | 0 | 0 | 0 | 0 | 111 | M452 L462 V463 T465 H466 Y468 Y540 | T449-M452 HydrophobicContact CG2-CE 3.88Å; T449-L462 HydrophobicContact CG2-CD1 4.46Å; T449-V463 WeakPolarHBondContact CB-O 3.4Å; T449-V463 PolarHBondContact OG1-O 2.89Å; T449-T465 WeakPolarHBondContact O-CA 3.48Å; T449-T465 PolarHBondContact OG1-N 3.46Å; T449-H466 PolarHBondContact N-O 3.38Å; T449-H466 PolarHBondContact OG1-N 3.17Å; T449-H466 PolarHBondContact OG1-O 3.08Å; T449-Y468 HydrophobicContact CG2-CE2 3.79Å; T449-Y540 HydrophobicContact CG2-CD1 3.82Å; T449-Y540 HydrophobicContact CG2-CE1 3.66Å; T449-Y540 HydrophobicContact CG2-CE2 4.48Å; T449-Y540 HydrophobicContact CG2-CG 4.32Å |
| 450 | G | 85.5 | Confident | 90.2 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 6% | 0.062 | 29% | 0.286 | C | S | . | . | trans | -78.8 | -167.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | M452 T465 D541 | G450-M452 PolarHBondContact O-N 3.39Å; G450-T465 PolarHBondContact O-N 2.66Å; G450-D541 WeakPolarHBondContact CA-OD2 3.41Å | ||
| 451 | V | 84.6 | Confident | 90 | Very high | 138 Ų | 138 | 53 Ų | 53 | 84% | 0.836 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -69.1 | 122 | 164.5 | -177.5 | 0 | 0 | 0 | 0 | 108 | T465 | V451-T465 HydrophobicContact CG2-CG2 4.18Š|
| 452 | M | 86.6 | Confident | 90 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 17% | 0.172 | 26% | 0.26 | C | S | . | . | trans | -141.4 | 160.4 | 173.6 | 61.7 | -174.4 | 64.5 | 0 | 0 | 108.8 | T449 G450 E456 L462 P464 | T449-M452 HydrophobicContact CG2-CE 3.88Å; G450-M452 PolarHBondContact O-N 3.39Å; M452-E456 HydrophobicContact CB-CB 4.49Å; M452-L462 HydrophobicContact SD-CB 4.18Å; M452-P464 HydrophobicContact CG-CB 3.53Å; M452-P464 HydrophobicContact CG-CG 4.42Å; M452-P464 HydrophobicContact SD-CB 4.46Å | ||
| 453 | T | 88.4 | Confident | 89.7 | Confident | 72 Ų | 72 | 52.6 Ų | 52.6 | 44% | 0.442 | 26% | 0.256 | S | S | . | . | trans | -73.1 | 154.1 | 175.2 | 67.2 | 0 | 0 | 0 | 0 | 110.5 | E455 E456 G457 | T453-E455 PolarHBondContact O-N 2.74Å; T453-E456 PolarHBondContact N-OE2 2.93Å; T453-E456 PolarHBondContact O-N 3.09Å; T453-E456 WeakPolarHBondContact OG1-CB 3.34Å; T453-E456 VanDerWaalsContact OG1-CG 3.28Å; T453-E456 WeakPolarHBondContact OG1-CG 3.48Å; T453-E456 PolarHBondContact OG1-N 3.34Å; T453-E456 VanDerWaalsContact OG1-N 3.15Å; T453-G457 PolarHBondContact O-N 2.88Å | ||
| 454 | E | 85.1 | Confident | 89.2 | Confident | 158 Ų | 158 | 54.4 Ų | 54.4 | 74% | 0.738 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58.8 | -36.8 | 174.8 | -69.4 | -175.9 | 170.1 | 0 | 0 | 111.1 | G457 E458 | E454-G457 PolarHBondContact O-N 2.66Å; E454-E458 WeakPolarHBondContact O-CG 3.49Å; E454-E458 PolarHBondContact O-N 3.12Å |
| 455 | E | 87.6 | Confident | 88.8 | Confident | 159 Ų | 159 | 59 Ų | 59 | 74% | 0.743 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.6 | -44.1 | 176 | -62.6 | 175.9 | -175.6 | 0 | 0 | 112.7 | T453 R459 | T453-E455 PolarHBondContact O-N 2.74Å; E455-R459 VanDerWaalsContact O-CB 3.22Å; E455-R459 WeakPolarHBondContact O-CB 3.38Å; E455-R459 PolarHBondContact O-N 2.76Å |
| 456 | E | 86.6 | Confident | 88.5 | Confident | 101 Ų | 101 | 59.1 Ų | 59.1 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.2 | -76.6 | 177.1 | 155.3 | 0 | 0 | 111.5 | M452 T453 R459 W460 | M452-E456 HydrophobicContact CB-CB 4.49Å; T453-E456 PolarHBondContact N-OE2 2.93Å; T453-E456 PolarHBondContact O-N 3.09Å; T453-E456 WeakPolarHBondContact OG1-CB 3.34Å; T453-E456 VanDerWaalsContact OG1-CG 3.28Å; T453-E456 WeakPolarHBondContact OG1-CG 3.48Å; T453-E456 PolarHBondContact OG1-N 3.34Å; T453-E456 VanDerWaalsContact OG1-N 3.15Å; E456-R459 PolarHBondContact O-N 3.14Å; E456-W460 VanDerWaalsContact O-CD1 3.31Å; E456-W460 PolarHBondContact O-N 2.99Å; E456-W460 VanDerWaalsContact O-N 3.08Å |
| 457 | G | 86.8 | Confident | 88.2 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -49.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | T453 E454 R459 W460 G461 L462 | T453-G457 PolarHBondContact O-N 2.88Å; E454-G457 PolarHBondContact O-N 2.66Å; G457-R459 PolarHBondContact O-N 3.45Å; G457-W460 PolarHBondContact O-N 3.44Å; G457-G461 CarbonylContact O-C 3.47Å; G457-G461 WeakPolarHBondContact O-CA 3.36Å; G457-G461 PolarHBondContact O-N 2.99Å; G457-L462 CarbonylContact C-O 3.43Å; G457-L462 WeakPolarHBondContact CA-O 3.27Å; G457-L462 PolarHBondContact O-N 3.5Å; G457-L462 VanDerWaalsContact O-O 3.07Å |
| 458 | E | 87.2 | Confident | 88.2 | Confident | 140 Ų | 140 | 59.2 Ų | 59.2 | 65% | 0.654 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 177.1 | -74.9 | -172.5 | 173.3 | 0 | 0 | 112.8 | E454 W460 G461 K494 | E454-E458 WeakPolarHBondContact O-CG 3.49Å; E454-E458 PolarHBondContact O-N 3.12Å; E458-W460 PolarHBondContact O-N 3.24Å; E458-G461 PolarHBondContact O-N 3.33Å; E458-K494 PolarHBondContact O-NZ 3.35Å |
| 459 | R | 87.9 | Confident | 88.2 | Confident | 179 Ų | 179 | 58.7 Ų | 58.7 | 68% | 0.675 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.1 | -45.8 | 178.9 | -180 | 178.5 | -179 | 178.5 | 1.8 | 111.7 | E455 E456 G457 | E455-R459 VanDerWaalsContact O-CB 3.22Å; E455-R459 WeakPolarHBondContact O-CB 3.38Å; E455-R459 PolarHBondContact O-N 2.76Å; E456-R459 PolarHBondContact O-N 3.14Å; G457-R459 PolarHBondContact O-N 3.45Å |
| 460 | W | 88.3 | Confident | 88.4 | Confident | 72 Ų | 72 | 58.4 Ų | 58.4 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -95.5 | -7.7 | -178 | -64.3 | 113 | 0 | 0 | 0 | 113.8 | E456 G457 E458 L462 W493 K494 Y539 | E456-W460 VanDerWaalsContact O-CD1 3.31Å; E456-W460 PolarHBondContact O-N 2.99Å; E456-W460 VanDerWaalsContact O-N 3.08Å; G457-W460 PolarHBondContact O-N 3.44Å; E458-W460 PolarHBondContact O-N 3.24Å; W460-L462 VanDerWaalsContact C-N 3.35Å; W460-L462 HydrophobicContact CB-CG 4.37Å; W460-W493 HydrophobicContact CB-CE3 4.36Å; W460-W493 HydrophobicContact CB-CZ3 3.81Å; W460-W493 HydrophobicContact CD2-CH2 4.47Å; W460-W493 AromaticContact CE3-CH2 4Å; W460-W493 HydrophobicContact CE3-CH2 4Å; W460-W493 HydrophobicContact CE3-CZ3 4.3Å; W460-W493 HydrophobicContact CG-CZ3 4.37Å; W460-W493 WeakPolarHBondContact O-CA 3.22Å; W460-K494 PolarHBondContact O-N 3.44Å; W460-Y539 AromaticContact CD1-CE1 3.8Å; W460-Y539 HydrophobicContact CD2-CE1 4.23Å; W460-Y539 AromaticContact CE2-CZ 3.98Å; W460-Y539 VanDerWaalsContact CE2-OH 3.3Å; W460-Y539 HydrophobicContact CG-CE1 4.1Å; W460-Y539 VanDerWaalsContact CZ2-OH 3.27Å; W460-Y539 WeakPolarHBondContact CZ2-OH 3.44Å; W460-Y539 AromaticContact NE1-CE1 3.74Å |
| 461 | G | 87 | Confident | 88.6 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | 32.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G457 E458 R492 | G457-G461 CarbonylContact O-C 3.47Å; G457-G461 WeakPolarHBondContact O-CA 3.36Å; G457-G461 PolarHBondContact O-N 2.99Å; E458-G461 PolarHBondContact O-N 3.33Å; G461-R492 VanDerWaalsContact CA-O 3.27Å; G461-R492 WeakPolarHBondContact CA-O 3.39Å; G461-R492 CarbonylContact O-C 3.32Å; G461-R492 VanDerWaalsContact O-C 3.32Å |
| 462 | L | 89.4 | Confident | 88.9 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | trans | -110.6 | 147.9 | 175 | -62.9 | -178.9 | 0 | 0 | 0 | 110 | T449 M452 G457 W460 W493 F529 Y539 Y540 | T449-L462 HydrophobicContact CG2-CD1 4.46Å; M452-L462 HydrophobicContact SD-CB 4.18Å; G457-L462 CarbonylContact C-O 3.43Å; G457-L462 WeakPolarHBondContact CA-O 3.27Å; G457-L462 PolarHBondContact O-N 3.5Å; G457-L462 VanDerWaalsContact O-O 3.07Å; W460-L462 VanDerWaalsContact C-N 3.35Å; W460-L462 HydrophobicContact CB-CG 4.37Å; L462-W493 HydrophobicContact CD1-CE3 4.05Å; L462-W493 HydrophobicContact CD1-CZ3 3.75Å; L462-W493 HydrophobicContact CD2-CE3 3.9Å; L462-W493 HydrophobicContact CD2-CZ3 4.46Å; L462-W493 HydrophobicContact CG-CE3 3.88Å; L462-W493 HydrophobicContact CG-CZ3 4.04Å; L462-F529 HydrophobicContact CD2-CZ 4.37Å; L462-Y539 HydrophobicContact CD1-CD1 4.44Å; L462-Y539 HydrophobicContact CD1-CG 4.1Å; L462-Y540 HydrophobicContact CD1-CE2 4.28Å; L462-Y540 HydrophobicContact CD2-CE2 4.4Å; L462-Y540 WeakPolarHBondContact CD2-OH 3.39Å | ||
| 463 | V | 86.9 | Confident | 89.2 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | trans | -94.6 | 132.3 | 174.2 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | T449 H466 Y468 W488 L491 | T449-V463 WeakPolarHBondContact CB-O 3.4Å; T449-V463 PolarHBondContact OG1-O 2.89Å; V463-H466 HydrophobicContact CB-CB 3.6Å; V463-H466 HydrophobicContact CG1-CB 3.63Å; V463-Y468 PolarHBondContact N-OH 3.44Å; V463-W488 HydrophobicContact CB-CE3 4.4Å; V463-W488 HydrophobicContact CB-CZ3 4.32Å; V463-W488 HydrophobicContact CG1-CE3 3.82Å; V463-W488 HydrophobicContact CG1-CH2 3.95Å; V463-W488 HydrophobicContact CG1-CZ3 3.3Å; V463-W488 HydrophobicContact CG2-CE3 3.69Å; V463-W488 HydrophobicContact CG2-CZ3 4.03Å; V463-L491 HydrophobicContact CG2-CB 4.5Å; V463-L491 HydrophobicContact CG2-CD1 3.51Å | ||
| 464 | P | 87 | Confident | 89.4 | Confident | 39 Ų | 39 | 48.6 Ų | 48.6 | 25% | 0.253 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 144.1 | 173 | 23.1 | -32.2 | 0 | 0 | 0 | 112 | M452 H466 | M452-P464 HydrophobicContact CG-CB 3.53Å; M452-P464 HydrophobicContact CG-CG 4.42Å; M452-P464 HydrophobicContact SD-CB 4.46Å; P464-H466 VanDerWaalsContact C-N 3.26Å; P464-H466 PolarHBondContact O-N 2.94Å |
| 465 | T | 87 | Confident | 89.6 | Confident | 98 Ų | 98 | 44.8 Ų | 44.8 | 60% | 0.601 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 42.6 | 173.5 | 56 | 0 | 0 | 0 | 0 | 113.8 | T449 G450 V451 | T449-T465 WeakPolarHBondContact O-CA 3.48Å; T449-T465 PolarHBondContact OG1-N 3.46Å; G450-T465 PolarHBondContact O-N 2.66Å; V451-T465 HydrophobicContact CG2-CG2 4.18Å |
| 466 | H | 89.9 | Confident | 89.6 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | trans | -125.1 | 147.7 | -170.2 | -166 | 79.8 | 0 | 0 | 0 | 112.1 | C298 A448 T449 V463 P464 Y468 N486 W488 | C298-H466 WeakPolarHBondContact CB-CE1 3.22Å; C298-H466 WeakPolarHBondContact CB-ND1 3.37Å; C298-H466 PolarHBondContact SG-ND1 2.84Å; C298-H466 VanDerWaalsContact SG-ND1 3.35Å; A448-H466 VanDerWaalsContact CA-O 3.24Å; A448-H466 WeakPolarHBondContact CA-O 3.44Å; T449-H466 PolarHBondContact N-O 3.38Å; T449-H466 PolarHBondContact OG1-N 3.17Å; T449-H466 PolarHBondContact OG1-O 3.08Å; V463-H466 HydrophobicContact CB-CB 3.6Å; V463-H466 HydrophobicContact CG1-CB 3.63Å; P464-H466 VanDerWaalsContact C-N 3.26Å; P464-H466 PolarHBondContact O-N 2.94Å; H466-Y468 HydrophobicContact CB-CE2 4Å; H466-Y468 AromaticContact CD2-CE2 3.73Å; H466-Y468 AromaticContact CD2-CZ 3.79Å; H466-Y468 WeakPolarHBondContact O-CD2 3.45Å; H466-Y468 WeakPolarHBondContact O-CE2 3.47Å; H466-N486 PolarHBondContact NE2-OD1 3.17Å; H466-N486 VanDerWaalsContact NE2-OD1 3.1Å; H466-W488 AromaticContact CE1-CD2 3.74Å; H466-W488 AromaticContact CE1-CE2 3.62Å; H466-W488 AromaticContact CE1-CG 3.99Å; H466-W488 AromaticContact CE1-NE1 3.82Å | ||
| 467 | A | 91.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A302 P487 | A302-A467 HydrophobicContact CB-CB 4.17Å; A467-P487 WeakPolarHBondContact O-CD 3.31Å |
| 468 | Y | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.2 | 180 | -60.9 | -105.1 | 0 | 0 | 0 | 109.9 | T446 T447 T449 V463 H466 K485 N486 F529 Y540 | T446-Y468 CarbonylContact C-O 3.58Å; T446-Y468 VanDerWaalsContact CA-O 3.25Å; T446-Y468 WeakPolarHBondContact CA-O 3.27Å; T446-Y468 WeakPolarHBondContact CB-O 3.29Å; T447-Y468 PolarHBondContact N-O 2.83Å; T447-Y468 PolarHBondContact O-N 2.85Å; T449-Y468 HydrophobicContact CG2-CE2 3.79Å; V463-Y468 PolarHBondContact N-OH 3.44Å; H466-Y468 HydrophobicContact CB-CE2 4Å; H466-Y468 AromaticContact CD2-CE2 3.73Å; H466-Y468 AromaticContact CD2-CZ 3.79Å; H466-Y468 WeakPolarHBondContact O-CD2 3.45Å; H466-Y468 WeakPolarHBondContact O-CE2 3.47Å; Y468-K485 WeakPolarHBondContact CA-O 3.25Å; Y468-N486 HydrophobicContact CD1-CB 3.85Å; Y468-N486 HydrophobicContact CE1-CB 3.68Å; Y468-F529 HydrophobicContact CD1-CE1 4.29Å; Y468-F529 HydrophobicContact CD1-CZ 4.08Å; Y468-F529 HydrophobicContact CE1-CE1 4.23Å; Y468-F529 HydrophobicContact CE1-CZ 4.1Å; Y468-Y540 AromaticContact CD2-CE1 3.56Å; Y468-Y540 HydrophobicContact CD2-CE1 3.56Å; Y468-Y540 AromaticContact CE2-CE1 3.96Å; Y468-Y540 HydrophobicContact CE2-CE1 3.96Å; Y468-Y540 HydrophobicContact CG-CE1 4.09Å |
| 469 | A | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 132.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | A302 A305 I306 L471 L484 K485 | A302-A469 HydrophobicContact CB-CB 4.47Å; A305-A469 HydrophobicContact CB-CB 4.27Å; I306-A469 HydrophobicContact CB-CB 4.14Å; A469-L471 HydrophobicContact CB-CD2 4.25Å; A469-L471 PolarHBondContact O-N 2.69Å; A469-L484 CarbonylContact O-C 3.55Å; A469-L484 VanDerWaalsContact O-CA 3.3Å; A469-L484 WeakPolarHBondContact O-CA 3.3Å; A469-K485 HydrophobicContact CB-CB 4.37Å; A469-K485 PolarHBondContact N-O 2.83Å; A469-K485 PolarHBondContact O-N 3.15Å |
| 470 | V | 94.9 | Very high | 90 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 101.7 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | I306 I445 T447 I473 L482 Q483 L484 | I306-V470 WeakPolarHBondContact CD1-O 3.38Å; I445-V470 HydrophobicContact CB-CB 3.94Å; I445-V470 HydrophobicContact CB-CG1 4.49Å; I445-V470 HydrophobicContact CB-CG2 4.09Å; I445-V470 HydrophobicContact CG2-CB 3.99Å; I445-V470 HydrophobicContact CG2-CG1 4.49Å; I445-V470 HydrophobicContact CG2-CG2 3.59Å; I445-V470 WeakPolarHBondContact O-CB 3.19Å; I445-V470 PolarHBondContact O-N 3.21Å; T447-V470 HydrophobicContact CG2-CG2 4.35Å; V470-I473 HydrophobicContact CG1-CD1 4.32Å; V470-I473 HydrophobicContact CG1-CG1 3.94Å; V470-L482 HydrophobicContact CG1-CD2 3.94Å; V470-Q483 CarbonylContact C-O 3.54Å; V470-L484 HydrophobicContact CB-CD2 4.2Å; V470-L484 HydrophobicContact CG1-CD2 4.4Å; V470-L484 HydrophobicContact CG2-CD2 3.63Å |
| 471 | L | 90.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -29.8 | -175.2 | -60.8 | -170.5 | 0 | 0 | 0 | 114.1 | F288 I306 A309 R313 F438 A469 Q483 K485 V528 | F288-L471 HydrophobicContact CE1-CD1 3.79Å; F288-L471 HydrophobicContact CZ-CD1 3.62Å; I306-L471 HydrophobicContact CD1-CD2 4.46Å; A309-L471 HydrophobicContact CB-CD2 3.93Å; R313-L471 PolarHBondContact NH1-O 3.04Å; R313-L471 PolarHBondContact NH2-O 2.57Å; F438-L471 WeakPolarHBondContact CZ-O 3.31Å; A469-L471 HydrophobicContact CB-CD2 4.25Å; A469-L471 PolarHBondContact O-N 2.69Å; L471-Q483 HydrophobicContact CB-CG 4.36Å; L471-Q483 PolarHBondContact N-O 2.87Å; L471-K485 HydrophobicContact CD1-CB 3.69Å; L471-K485 HydrophobicContact CD1-CD 4.28Å; L471-K485 HydrophobicContact CD2-CB 4.41Å; L471-K485 HydrophobicContact CG-CB 3.92Å; L471-V528 HydrophobicContact CD1-CG1 4.3Å; L471-V528 HydrophobicContact CD1-CG2 4.16Å |
| 472 | D | 90.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 155.9 | 176.4 | -153.2 | 14.6 | 0 | 0 | 0 | 112 | R313 R474 L482 Q483 W530 | R313-D472 IonicContact NH1-OD1 2.67Å; R313-D472 IonicContact NH2-OD1 3.63Å; D472-R474 IonicContact OD1-NE 3.73Å; D472-R474 IonicContact OD2-CZ 3.03Å; D472-R474 IonicContact OD2-NE 2.64Å; D472-R474 PolarHBondContact OD2-NE 3.46Å; D472-R474 IonicContact OD2-NH2 2.76Å; D472-R474 PolarHBondContact OD2-NH2 3.3Å; D472-L482 WeakPolarHBondContact O-CA 3.35Å; D472-Q483 HydrophobicContact CB-CB 3.9Å; D472-Q483 PolarHBondContact N-O 3.32Å; D472-Q483 PolarHBondContact O-N 3Å; D472-W530 HydrophobicContact CB-CH2 3.94Å; D472-W530 HydrophobicContact CB-CZ3 4.5Å |
| 473 | I | 93.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 129.1 | 175.6 | -51 | -178.2 | 0 | 0 | 0 | 107.8 | F431 L434 F435 F438 H439 I445 V470 F481 L482 | F431-I473 HydrophobicContact CE2-CG2 3.67Å; F431-I473 HydrophobicContact CZ-CG2 3.82Å; L434-I473 HydrophobicContact CB-CD1 4.07Å; F435-I473 HydrophobicContact CB-CG2 4.39Å; F435-I473 HydrophobicContact CD2-CB 4.38Å; F435-I473 HydrophobicContact CD2-CG2 3.83Å; F438-I473 HydrophobicContact CB-CD1 3.91Å; F438-I473 HydrophobicContact CD1-CB 4.19Å; F438-I473 HydrophobicContact CD1-CD1 4.13Å; F438-I473 HydrophobicContact CD1-CG1 3.93Å; F438-I473 HydrophobicContact CD2-CD1 4.33Å; F438-I473 HydrophobicContact CE1-CB 4.42Å; F438-I473 HydrophobicContact CE1-CG1 4.11Å; F438-I473 HydrophobicContact CG-CD1 3.89Å; F438-I473 HydrophobicContact CG-CG1 4.16Å; H439-I473 PolarHBondContact CE1-O 3.12Å; H439-I473 PolarHBondContact NE2-O 3.24Å; I445-I473 HydrophobicContact CD1-CD1 3.77Å; V470-I473 HydrophobicContact CG1-CD1 4.32Å; V470-I473 HydrophobicContact CG1-CG1 3.94Å; I473-F481 WeakPolarHBondContact CA-O 3.3Å; I473-L482 HydrophobicContact CD1-CD2 4.46Å; I473-L482 HydrophobicContact CG1-CD2 4.34Å; I473-L482 HydrophobicContact CG1-CG 4.41Å; I473-L482 HydrophobicContact CG2-CG 4.4Å |
| 474 | R | 91.1 | Very high | 91 | Very high | 37 Ų | 37 | 30.3 Ų | 30.3 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 153.1 | -175.9 | -66.3 | -66.5 | -179.4 | 141.4 | 5 | 111.8 | M1 M45 D472 F481 Y512 L513 W530 | M1-R474 VanDerWaalsContact CE-NH2 3.35Å; M45-R474 PolarHBondContact O-NH1 3.11Å; M45-R474 PolarHBondContact O-NH2 3.29Å; D472-R474 IonicContact OD1-NE 3.73Å; D472-R474 IonicContact OD2-CZ 3.03Å; D472-R474 IonicContact OD2-NE 2.64Å; D472-R474 PolarHBondContact OD2-NE 3.46Å; D472-R474 IonicContact OD2-NH2 2.76Å; D472-R474 PolarHBondContact OD2-NH2 3.3Å; R474-F481 PolarHBondContact N-O 2.87Å; R474-F481 PolarHBondContact O-N 3.36Å; R474-Y512 HydrophobicContact CB-CE1 4.18Å; R474-L513 HydrophobicContact CB-CD2 3.68Å; R474-L513 HydrophobicContact CG-CD2 3.88Å; R474-W530 HydrophobicContact CB-CH2 4.34Å; R474-W530 HydrophobicContact CB-CZ3 4.19Å; R474-W530 HydrophobicContact CG-CH2 3.6Å; R474-W530 HydrophobicContact CG-CZ3 3.92Å |
| 475 | E | 91 | Very high | 91.1 | Very high | 79 Ų | 79 | 28.5 Ų | 28.5 | 37% | 0.369 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 126.7 | 174.5 | -171.5 | 179.3 | 168.5 | 0 | 0 | 109.8 | F435 M479 R480 Y512 | F435-E475 HydrophobicContact CE2-CB 4.34Å; E475-M479 CarbonylContact C-O 3.53Å; E475-M479 VanDerWaalsContact CA-O 3.27Å; E475-M479 WeakPolarHBondContact CA-O 3.4Å; E475-R480 HydrophobicContact CG-CG 4.36Å; E475-Y512 PolarHBondContact O-OH 3.02Å; E475-Y512 VanDerWaalsContact O-OH 3.05Å |
| 476 | Y | 87.8 | Confident | 91.2 | Very high | 41 Ų | 41 | 23.8 Ų | 23.8 | 16% | 0.161 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 118.7 | -179.6 | -175.7 | -105.8 | 0 | 0 | 0 | 110.7 | G478 M479 E508 L509 Y512 | Y476-G478 PolarHBondContact O-N 2.86Å; Y476-G478 VanDerWaalsContact O-N 3.13Å; Y476-M479 PolarHBondContact N-O 2.92Å; Y476-M479 WeakPolarHBondContact O-CA 3.37Å; Y476-M479 VanDerWaalsContact O-CB 3.27Å; Y476-M479 WeakPolarHBondContact O-CB 3.16Å; Y476-M479 PolarHBondContact O-N 2.79Å; Y476-E508 WeakPolarHBondContact OH-CB 3.35Å; Y476-E508 PolarHBondContact OH-OE2 3.46Å; Y476-L509 HydrophobicContact CD1-CD1 3.74Å; Y476-L509 HydrophobicContact CG-CD1 4.06Å; Y476-Y512 AromaticContact CD2-CD1 3.74Å; Y476-Y512 HydrophobicContact CD2-CD1 3.74Å; Y476-Y512 AromaticContact CD2-CD2 3.72Å; Y476-Y512 HydrophobicContact CD2-CD2 3.72Å; Y476-Y512 HydrophobicContact CD2-CE1 4.14Å; Y476-Y512 HydrophobicContact CD2-CE2 4.11Å; Y476-Y512 AromaticContact CD2-CG 3.53Å; Y476-Y512 HydrophobicContact CD2-CG 3.53Å; Y476-Y512 HydrophobicContact CE2-CD2 4.13Å; Y476-Y512 HydrophobicContact CE2-CG 4.07Å; Y476-Y512 AromaticContact CG-CD1 3.96Å; Y476-Y512 HydrophobicContact CG-CD1 3.96Å; Y476-Y512 HydrophobicContact CG-CE1 4.37Å; Y476-Y512 HydrophobicContact CG-CG 4.15Å |
| 477 | K | 86.8 | Confident | 90.8 | Very high | 154 Ų | 154 | 23.7 Ų | 23.7 | 67% | 0.67 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 39.7 | 179.6 | -64.2 | -177.9 | 173.9 | 174.8 | 0 | 113.2 | M479 E508 | K477-M479 VanDerWaalsContact C-N 3.28Å; K477-M479 PolarHBondContact O-N 2.88Å; K477-E508 IonicContact NZ-OE1 3.99Å; K477-E508 IonicContact NZ-OE2 2.67Å; K477-E508 PolarHBondContact NZ-OE2 2.97Å |
| 478 | G | 84.9 | Confident | 90.1 | Very high | 49 Ų | 49 | 27.3 Ų | 27.3 | 51% | 0.505 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -6.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y476 | Y476-G478 PolarHBondContact O-N 2.86Å; Y476-G478 VanDerWaalsContact O-N 3.13Å |
| 479 | M | 89.6 | Confident | 88.9 | Confident | 70 Ų | 70 | 28.2 Ų | 28.2 | 35% | 0.345 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 142.5 | 173.3 | -53.6 | 171 | 74.9 | 0 | 0 | 110.5 | E475 Y476 K477 F481 Y497 | E475-M479 CarbonylContact C-O 3.53Å; E475-M479 VanDerWaalsContact CA-O 3.27Å; E475-M479 WeakPolarHBondContact CA-O 3.4Å; Y476-M479 PolarHBondContact N-O 2.92Å; Y476-M479 WeakPolarHBondContact O-CA 3.37Å; Y476-M479 VanDerWaalsContact O-CB 3.27Å; Y476-M479 WeakPolarHBondContact O-CB 3.16Å; Y476-M479 PolarHBondContact O-N 2.79Å; K477-M479 VanDerWaalsContact C-N 3.28Å; K477-M479 PolarHBondContact O-N 2.88Å; M479-F481 HydrophobicContact CB-CE2 3.54Å; M479-F481 HydrophobicContact CB-CZ 3.7Å; M479-F481 HydrophobicContact CE-CZ 3.83Å; M479-F481 HydrophobicContact SD-CZ 4.37Å; M479-Y497 HydrophobicContact CE-CE1 4.11Å; M479-Y497 WeakPolarHBondContact CE-OH 3.42Å |
| 480 | R | 94.1 | Very high | 87.6 | Confident | 34 Ų | 34 | 34.1 Ų | 34.1 | 13% | 0.128 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.9 | -168.4 | -65.4 | 167.9 | -170.2 | 175.8 | 2.5 | 110.6 | E428 F431 E475 S532 W533 | E428-R480 IonicContact OE1-CZ 2.67Å; E428-R480 IonicContact OE1-NH1 2.96Å; E428-R480 IonicContact OE1-NH2 2.74Å; E428-R480 PolarHBondContact OE1-NH2 3.23Å; E428-R480 IonicContact OE2-CZ 2.71Å; E428-R480 IonicContact OE2-NH1 3.47Å; E428-R480 PolarHBondContact OE2-NH1 2.85Å; E428-R480 IonicContact OE2-NH2 3.52Å; E428-R480 PolarHBondContact OE2-NH2 3.23Å; F431-R480 HydrophobicContact CD1-CG 3.97Å; F431-R480 HydrophobicContact CD2-CB 4.19Å; F431-R480 HydrophobicContact CD2-CG 4.41Å; F431-R480 HydrophobicContact CE1-CB 4.08Å; F431-R480 HydrophobicContact CE1-CG 3.53Å; F431-R480 HydrophobicContact CE2-CB 3.62Å; F431-R480 HydrophobicContact CE2-CG 4.01Å; F431-R480 HydrophobicContact CG-CG 4.39Å; F431-R480 HydrophobicContact CZ-CB 3.56Å; F431-R480 HydrophobicContact CZ-CG 3.55Å; E475-R480 HydrophobicContact CG-CG 4.36Å; R480-S532 CarbonylContact O-C 3.58Å; R480-S532 WeakPolarHBondContact O-CA 3.4Å; R480-W533 HydrophobicContact CB-CB 3.57Å; R480-W533 HydrophobicContact CB-CG 4.4Å; R480-W533 PolarHBondContact O-N 3.44Å |
| 481 | F | 94.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.7 | -172.1 | -56.7 | -81.6 | 0 | 0 | 0 | 111.5 | I473 R474 M479 Y497 L509 L513 W530 I531 | I473-F481 WeakPolarHBondContact CA-O 3.3Å; R474-F481 PolarHBondContact N-O 2.87Å; R474-F481 PolarHBondContact O-N 3.36Å; M479-F481 HydrophobicContact CB-CE2 3.54Å; M479-F481 HydrophobicContact CB-CZ 3.7Å; M479-F481 HydrophobicContact CE-CZ 3.83Å; M479-F481 HydrophobicContact SD-CZ 4.37Å; F481-Y497 HydrophobicContact CD1-CD2 4.35Å; F481-Y497 HydrophobicContact CD1-CG 4.43Å; F481-Y497 AromaticContact CE1-CD1 3.84Å; F481-Y497 HydrophobicContact CE1-CD1 3.84Å; F481-Y497 AromaticContact CE1-CD2 3.77Å; F481-Y497 HydrophobicContact CE1-CD2 3.77Å; F481-Y497 AromaticContact CE1-CE1 3.82Å; F481-Y497 HydrophobicContact CE1-CE1 3.82Å; F481-Y497 AromaticContact CE1-CE2 3.75Å; F481-Y497 HydrophobicContact CE1-CE2 3.75Å; F481-Y497 AromaticContact CE1-CG 3.83Å; F481-Y497 HydrophobicContact CE1-CG 3.83Å; F481-Y497 AromaticContact CE1-CZ 3.8Å; F481-Y497 HydrophobicContact CZ-CE1 4.16Å; F481-L509 HydrophobicContact CD2-CD1 4.45Å; F481-L509 HydrophobicContact CE1-CD2 4.35Å; F481-L509 HydrophobicContact CE2-CD1 3.65Å; F481-L509 HydrophobicContact CE2-CD2 4.44Å; F481-L509 HydrophobicContact CZ-CD1 3.84Å; F481-L509 HydrophobicContact CZ-CD2 3.76Å; F481-L509 HydrophobicContact CZ-CG 4.42Å; F481-L513 HydrophobicContact CB-CD1 4.44Å; F481-L513 HydrophobicContact CD1-CD1 4.33Å; F481-L513 HydrophobicContact CD2-CD1 4.26Å; F481-L513 HydrophobicContact CD2-CD2 4.42Å; F481-L513 HydrophobicContact CG-CD1 4.09Å; F481-W530 HydrophobicContact CB-CE3 3.78Å; F481-W530 HydrophobicContact CB-CZ3 4.03Å; F481-I531 WeakPolarHBondContact CA-O 3.36Å |
| 482 | L | 94.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.4 | 171 | -65.6 | 90.3 | 0 | 0 | 0 | 108.8 | F431 V470 D472 I473 L484 W530 I531 W533 L536 | F431-L482 HydrophobicContact CE2-CD1 4.26Å; V470-L482 HydrophobicContact CG1-CD2 3.94Å; D472-L482 WeakPolarHBondContact O-CA 3.35Å; I473-L482 HydrophobicContact CD1-CD2 4.46Å; I473-L482 HydrophobicContact CG1-CD2 4.34Å; I473-L482 HydrophobicContact CG1-CG 4.41Å; I473-L482 HydrophobicContact CG2-CG 4.4Å; L482-L484 HydrophobicContact CB-CD2 4.29Å; L482-W530 WeakPolarHBondContact O-CA 3.02Å; L482-I531 HydrophobicContact CB-CG2 4.32Å; L482-I531 PolarHBondContact N-O 2.88Å; L482-I531 PolarHBondContact O-N 2.82Å; L482-W533 HydrophobicContact CD1-CB 4.07Å; L482-W533 HydrophobicContact CD1-CD2 4.47Å; L482-W533 HydrophobicContact CD1-CE3 3.69Å; L482-L536 HydrophobicContact CB-CD1 4.21Å; L482-L536 HydrophobicContact CD1-CD1 4.16Å; L482-L536 HydrophobicContact CD2-CD1 3.82Å; L482-L536 HydrophobicContact CG-CD1 4.27Å |
| 483 | Q | 91.9 | Very high | 86.2 | Confident | 15 Ų | 15 | 38 Ų | 38 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 115.4 | 170.8 | -174.5 | 174.3 | 70.7 | 0 | 0 | 108.1 | V470 L471 D472 V528 F529 W530 | V470-Q483 CarbonylContact C-O 3.54Å; L471-Q483 HydrophobicContact CB-CG 4.36Å; L471-Q483 PolarHBondContact N-O 2.87Å; D472-Q483 HydrophobicContact CB-CB 3.9Å; D472-Q483 PolarHBondContact N-O 3.32Å; D472-Q483 PolarHBondContact O-N 3Å; Q483-V528 HydrophobicContact CG-CG1 3.69Å; Q483-F529 CarbonylContact C-O 3.58Å; Q483-F529 WeakPolarHBondContact CA-O 3.34Å; Q483-W530 HydrophobicContact CB-CD2 3.89Å; Q483-W530 HydrophobicContact CB-CE3 3.73Å; Q483-W530 HydrophobicContact CB-CH2 3.81Å; Q483-W530 HydrophobicContact CB-CZ2 3.96Å; Q483-W530 HydrophobicContact CB-CZ3 3.7Å; Q483-W530 HydrophobicContact CG-CD2 4.34Å; Q483-W530 HydrophobicContact CG-CZ2 4.35Å |
| 484 | L | 92.3 | Very high | 86 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 149.8 | 179.5 | -57.5 | -171.9 | 0 | 0 | 0 | 110.5 | T447 A469 V470 L482 V528 F529 I531 L536 Y540 | T447-L484 HydrophobicContact CG2-CD1 3.96Å; T447-L484 HydrophobicContact CG2-CD2 3.97Å; A469-L484 CarbonylContact O-C 3.55Å; A469-L484 VanDerWaalsContact O-CA 3.3Å; A469-L484 WeakPolarHBondContact O-CA 3.3Å; V470-L484 HydrophobicContact CB-CD2 4.2Å; V470-L484 HydrophobicContact CG1-CD2 4.4Å; V470-L484 HydrophobicContact CG2-CD2 3.63Å; L482-L484 HydrophobicContact CB-CD2 4.29Å; L484-V528 CarbonylContact O-C 3.16Å; L484-V528 VanDerWaalsContact O-CA 3.28Å; L484-V528 WeakPolarHBondContact O-CA 3.06Å; L484-F529 HydrophobicContact CB-CD2 4.36Å; L484-F529 HydrophobicContact CB-CE1 4.45Å; L484-F529 HydrophobicContact CB-CE2 3.83Å; L484-F529 HydrophobicContact CB-CZ 3.89Å; L484-F529 HydrophobicContact CD1-CE2 3.95Å; L484-F529 HydrophobicContact CD1-CZ 4.21Å; L484-F529 HydrophobicContact CG-CE2 4.25Å; L484-F529 PolarHBondContact N-O 3.38Å; L484-F529 PolarHBondContact O-N 3.05Å; L484-I531 HydrophobicContact CD1-CG2 3.77Å; L484-I531 HydrophobicContact CG-CG2 3.95Å; L484-L536 HydrophobicContact CD1-CD1 4.23Å; L484-L536 HydrophobicContact CD2-CD1 4.37Å; L484-Y540 HydrophobicContact CD1-CE1 4.16Å; L484-Y540 HydrophobicContact CD1-CE2 4.23Å; L484-Y540 VanDerWaalsContact CD1-OH 3.27Å; L484-Y540 WeakPolarHBondContact CD1-OH 3.35Å |
| 485 | K | 89.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.4 | 167.5 | 171.6 | -177.3 | 166 | 90.6 | 0 | 109.9 | S287 I290 A305 Y468 A469 L471 V528 | S287-K485 WeakPolarHBondContact O-CD 3.47Å; S287-K485 WeakPolarHBondContact O-CE 3.14Å; S287-K485 PolarHBondContact O-NZ 2.94Å; I290-K485 PolarHBondContact O-NZ 3.05Å; A305-K485 HydrophobicContact CB-CD 3.94Å; Y468-K485 WeakPolarHBondContact CA-O 3.25Å; A469-K485 HydrophobicContact CB-CB 4.37Å; A469-K485 PolarHBondContact N-O 2.83Å; A469-K485 PolarHBondContact O-N 3.15Å; L471-K485 HydrophobicContact CD1-CB 3.69Å; L471-K485 HydrophobicContact CD1-CD 4.28Å; L471-K485 HydrophobicContact CD2-CB 4.41Å; L471-K485 HydrophobicContact CG-CB 3.92Å; K485-V528 HydrophobicContact CB-CG2 3.85Å; K485-V528 HydrophobicContact CD-CG2 4.35Å; K485-V528 HydrophobicContact CG-CG2 3.9Å |
| 486 | N | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -85.2 | 120.8 | 166.2 | -171.7 | -8 | 0 | 0 | 0 | 110.1 | H466 Y468 W488 L491 G527 F529 | H466-N486 PolarHBondContact NE2-OD1 3.17Å; H466-N486 VanDerWaalsContact NE2-OD1 3.1Å; Y468-N486 HydrophobicContact CD1-CB 3.85Å; Y468-N486 HydrophobicContact CE1-CB 3.68Å; N486-W488 PolarHBondContact ND2-O 3.42Å; N486-W488 PolarHBondContact O-N 3.48Å; N486-W488 WeakPolarHBondContact OD1-CB 3.37Å; N486-W488 PolarHBondContact OD1-N 3.29Å; N486-L491 PolarHBondContact ND2-O 3.22Å; N486-G527 WeakPolarHBondContact CB-O 3.37Å; N486-G527 PolarHBondContact N-O 3.49Å; N486-F529 HydrophobicContact CB-CE1 4.4Å | ||
| 487 | P | 81.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -56.6 | -30.1 | 170.6 | -26.3 | 36.1 | 0 | 0 | 0 | 114.1 | Q292 V301 A302 A467 S489 | Q292-P487 HydrophobicContact CB-CB 3.98Å; Q292-P487 PolarHBondContact N-O 2.75Å; V301-P487 HydrophobicContact CB-CB 4.11Å; V301-P487 HydrophobicContact CB-CG 4.41Å; V301-P487 HydrophobicContact CG1-CB 3.91Å; V301-P487 HydrophobicContact CG1-CG 4.48Å; A302-P487 HydrophobicContact CB-CG 3.93Å; A467-P487 WeakPolarHBondContact O-CD 3.31Å; P487-S489 PolarHBondContact O-N 3Å |
| 488 | W | 77.8 | Confident | 85.6 | Confident | 81 Ų | 81 | 34.4 Ų | 34.4 | 31% | 0.307 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -82.1 | 88.2 | 170.8 | -66 | -2.5 | 0 | 0 | 0 | 109.1 | V463 H466 N486 H490 L491 | V463-W488 HydrophobicContact CB-CE3 4.4Å; V463-W488 HydrophobicContact CB-CZ3 4.32Å; V463-W488 HydrophobicContact CG1-CE3 3.82Å; V463-W488 HydrophobicContact CG1-CH2 3.95Å; V463-W488 HydrophobicContact CG1-CZ3 3.3Å; V463-W488 HydrophobicContact CG2-CE3 3.69Å; V463-W488 HydrophobicContact CG2-CZ3 4.03Å; H466-W488 AromaticContact CE1-CD2 3.74Å; H466-W488 AromaticContact CE1-CE2 3.62Å; H466-W488 AromaticContact CE1-CG 3.99Å; H466-W488 AromaticContact CE1-NE1 3.82Å; N486-W488 PolarHBondContact ND2-O 3.42Å; N486-W488 PolarHBondContact O-N 3.48Å; N486-W488 WeakPolarHBondContact OD1-CB 3.37Å; N486-W488 PolarHBondContact OD1-N 3.29Å; W488-H490 PolarHBondContact O-N 2.68Å; W488-L491 HydrophobicContact CE3-CD1 4.38Å; W488-L491 PolarHBondContact O-N 2.94Å |
| 489 | S | 67.1 | Low | 85.1 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 13% | 0.133 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -13.3 | -166.9 | 59.1 | 0 | 0 | 0 | 0 | 116.7 | P487 G527 | P487-S489 PolarHBondContact O-N 3Å; S489-G527 PolarHBondContact O-N 3.22Å |
| 490 | H | 68 | Low | 84.7 | Confident | 124 Ų | 124 | 38.1 Ų | 38.1 | 57% | 0.574 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -6.8 | -174.2 | 63.6 | -79.3 | 0 | 0 | 0 | 114.5 | W488 | W488-H490 PolarHBondContact O-N 2.68Š|
| 491 | L | 76.7 | Confident | 84.2 | Confident | 53 Ų | 53 | 37.5 Ų | 37.5 | 28% | 0.277 | 16% | 0.163 | S | C | . | . | trans | -116 | 126.1 | -179.7 | -65.8 | 173 | 0 | 0 | 0 | 111.4 | V463 N486 W488 | V463-L491 HydrophobicContact CG2-CB 4.5Å; V463-L491 HydrophobicContact CG2-CD1 3.51Å; N486-L491 PolarHBondContact ND2-O 3.22Å; W488-L491 HydrophobicContact CE3-CD1 4.38Å; W488-L491 PolarHBondContact O-N 2.94Å | ||
| 492 | R | 81.9 | Confident | 83.3 | Confident | 34 Ų | 34 | 46 Ų | 46 | 13% | 0.128 | 20% | 0.203 | C | C | . | . | trans | -132.5 | 151.5 | -177.7 | -67.3 | -172.6 | -69.6 | -161.6 | -3 | 111.6 | G461 K494 E499 A520 F529 | G461-R492 VanDerWaalsContact CA-O 3.27Å; G461-R492 WeakPolarHBondContact CA-O 3.39Å; G461-R492 CarbonylContact O-C 3.32Å; G461-R492 VanDerWaalsContact O-C 3.32Å; R492-K494 PolarHBondContact O-N 3.14Å; R492-E499 IonicContact NE-OE1 2.95Å; R492-E499 IonicContact NH2-OE1 3.21Å; R492-A520 PolarHBondContact NH1-O 3.26Å; R492-A520 PolarHBondContact NH2-O 3.04Å; R492-F529 HydrophobicContact CB-CD1 4.32Å; R492-F529 HydrophobicContact CG-CD1 4.44Å | ||
| 493 | W | 88.4 | Confident | 82.8 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | trans | -54.1 | 127.1 | 173.4 | 175.5 | -116.7 | 0 | 0 | 0 | 112.5 | W460 L462 G495 R496 S498 F529 I531 D535 Y539 | W460-W493 HydrophobicContact CB-CE3 4.36Å; W460-W493 HydrophobicContact CB-CZ3 3.81Å; W460-W493 HydrophobicContact CD2-CH2 4.47Å; W460-W493 AromaticContact CE3-CH2 4Å; W460-W493 HydrophobicContact CE3-CH2 4Å; W460-W493 HydrophobicContact CE3-CZ3 4.3Å; W460-W493 HydrophobicContact CG-CZ3 4.37Å; W460-W493 WeakPolarHBondContact O-CA 3.22Å; L462-W493 HydrophobicContact CD1-CE3 4.05Å; L462-W493 HydrophobicContact CD1-CZ3 3.75Å; L462-W493 HydrophobicContact CD2-CE3 3.9Å; L462-W493 HydrophobicContact CD2-CZ3 4.46Å; L462-W493 HydrophobicContact CG-CE3 3.88Å; L462-W493 HydrophobicContact CG-CZ3 4.04Å; W493-G495 VanDerWaalsContact CE2-CA 3.42Å; W493-R496 PolarHBondContact NE1-O 3.31Å; W493-S498 WeakPolarHBondContact O-CB 3.1Å; W493-F529 HydrophobicContact CB-CB 4.29Å; W493-F529 HydrophobicContact CB-CD1 4.27Å; W493-F529 HydrophobicContact CB-CD2 3.25Å; W493-F529 HydrophobicContact CB-CE1 4.44Å; W493-F529 HydrophobicContact CB-CE2 3.47Å; W493-F529 VanDerWaalsContact CB-CE2 3.47Å; W493-F529 HydrophobicContact CB-CG 3.69Å; W493-F529 HydrophobicContact CB-CZ 4.07Å; W493-F529 HydrophobicContact CG-CD2 4.09Å; W493-F529 HydrophobicContact CG-CE2 4.26Å; W493-I531 HydrophobicContact CD2-CD1 4.05Å; W493-I531 HydrophobicContact CD2-CG1 4.42Å; W493-I531 HydrophobicContact CE3-CD1 4.2Å; W493-I531 HydrophobicContact CH2-CD1 4.36Å; W493-I531 HydrophobicContact CZ2-CD1 4.17Å; W493-I531 HydrophobicContact CZ2-CG1 4.35Å; W493-I531 HydrophobicContact CZ3-CD1 4.34Å; W493-D535 HydrophobicContact CH2-CB 4.4Å; W493-D535 HydrophobicContact CZ2-CB 4.04Å; W493-Y539 AromaticContact CH2-CD2 3.58Å; W493-Y539 HydrophobicContact CH2-CD2 3.58Å; W493-Y539 AromaticContact CH2-CE2 3.44Å; W493-Y539 HydrophobicContact CH2-CE2 3.44Å; W493-Y539 VanDerWaalsContact CH2-CE2 3.44Å; W493-Y539 HydrophobicContact CH2-CG 4.39Å; W493-Y539 HydrophobicContact CZ2-CE2 4.38Å; W493-Y539 AromaticContact CZ3-CD2 3.98Å; W493-Y539 HydrophobicContact CZ3-CD2 3.98Å; W493-Y539 HydrophobicContact CZ3-CE2 4.17Å; W493-Y539 HydrophobicContact CZ3-CG 4.38Å | ||
| 494 | K | 87.7 | Confident | 82.4 | Confident | 111 Ų | 111 | 57.2 Ų | 57.2 | 48% | 0.483 | 25% | 0.254 | S | S | . | . | trans | -104.6 | 1 | -179 | -63.5 | 177.6 | -176.8 | 170 | 0 | 113.7 | E458 W460 R492 | E458-K494 PolarHBondContact O-NZ 3.35Å; W460-K494 PolarHBondContact O-N 3.44Å; R492-K494 PolarHBondContact O-N 3.14Å | ||
| 495 | G | 88.3 | Confident | 82 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -86.2 | -149.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | W493 S498 | W493-G495 VanDerWaalsContact CE2-CA 3.42Å; G495-S498 WeakPolarHBondContact O-CB 3.42Å; G495-S498 PolarHBondContact O-N 3.32Å; G495-S498 PolarHBondContact O-OG 2.65Å |
| 496 | R | 88.3 | Confident | 81.8 | Confident | 98 Ų | 98 | 61.4 Ų | 61.4 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 139.9 | 179.5 | -62.7 | -174 | -67.1 | 173.7 | -5.5 | 111 | W493 S498 D501 D535 | W493-R496 PolarHBondContact NE1-O 3.31Å; R496-S498 PolarHBondContact O-N 3.13Å; R496-D501 WeakPolarHBondContact CA-OD2 3.39Å; R496-D535 IonicContact CZ-OD1 3.89Å; R496-D535 IonicContact CZ-OD2 3.39Å; R496-D535 IonicContact NE-OD1 2.72Å; R496-D535 PolarHBondContact NE-OD1 2.68Å; R496-D535 IonicContact NE-OD2 3.32Å; R496-D535 PolarHBondContact NE-OD2 3.12Å; R496-D535 VanDerWaalsContact NE-OD2 3.12Å; R496-D535 VanDerWaalsContact NH2-CG 3.3Å; R496-D535 IonicContact NH2-OD1 3.95Å; R496-D535 PolarHBondContact NH2-OD1 3.34Å; R496-D535 IonicContact NH2-OD2 3.47Å; R496-D535 PolarHBondContact NH2-OD2 3.35Å |
| 497 | Y | 86.8 | Confident | 81.4 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 6% | 0.055 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 24.9 | -175.4 | -44.6 | -74.5 | 0 | 0 | 0 | 113.6 | M479 F481 D501 N504 W505 L509 | M479-Y497 HydrophobicContact CE-CE1 4.11Å; M479-Y497 WeakPolarHBondContact CE-OH 3.42Å; F481-Y497 HydrophobicContact CD1-CD2 4.35Å; F481-Y497 HydrophobicContact CD1-CG 4.43Å; F481-Y497 AromaticContact CE1-CD1 3.84Å; F481-Y497 HydrophobicContact CE1-CD1 3.84Å; F481-Y497 AromaticContact CE1-CD2 3.77Å; F481-Y497 HydrophobicContact CE1-CD2 3.77Å; F481-Y497 AromaticContact CE1-CE1 3.82Å; F481-Y497 HydrophobicContact CE1-CE1 3.82Å; F481-Y497 AromaticContact CE1-CE2 3.75Å; F481-Y497 HydrophobicContact CE1-CE2 3.75Å; F481-Y497 AromaticContact CE1-CG 3.83Å; F481-Y497 HydrophobicContact CE1-CG 3.83Å; F481-Y497 AromaticContact CE1-CZ 3.8Å; F481-Y497 HydrophobicContact CZ-CE1 4.16Å; Y497-D501 PolarHBondContact N-OD2 2.87Å; Y497-N504 HydrophobicContact CD1-CB 4.11Å; Y497-N504 HydrophobicContact CE1-CB 3.6Å; Y497-W505 HydrophobicContact CD1-CD2 4.21Å; Y497-W505 HydrophobicContact CD1-CE3 4.02Å; Y497-W505 HydrophobicContact CD1-CH2 4.28Å; Y497-W505 HydrophobicContact CD1-CZ2 4.47Å; Y497-W505 HydrophobicContact CD1-CZ3 4.04Å; Y497-W505 WeakPolarHBondContact O-CZ2 3.41Å; Y497-L509 HydrophobicContact CD1-CD2 4.06Å; Y497-L509 HydrophobicContact CE1-CD2 3.79Å |
| 498 | S | 85.2 | Confident | 81.3 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 3% | 0.028 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -76.4 | 170.2 | 166.5 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | W493 G495 R496 R500 D501 W505 | W493-S498 WeakPolarHBondContact O-CB 3.1Å; G495-S498 WeakPolarHBondContact O-CB 3.42Å; G495-S498 PolarHBondContact O-N 3.32Å; G495-S498 PolarHBondContact O-OG 2.65Å; R496-S498 PolarHBondContact O-N 3.13Å; S498-R500 PolarHBondContact O-N 3.38Å; S498-D501 PolarHBondContact O-N 3.03Å; S498-D501 PolarHBondContact OG-N 2.91Å; S498-W505 PolarHBondContact O-NE1 3.36Å |
| 499 | E | 75.9 | Confident | 81.5 | Confident | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.065 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19 | 175.8 | 77.2 | -73 | 176.5 | 0 | 0 | 113.3 | R492 F515 A520 Q521 | R492-E499 IonicContact NE-OE1 2.95Å; R492-E499 IonicContact NH2-OE1 3.21Å; E499-F515 HydrophobicContact CB-CZ 4.13Å; E499-A520 HydrophobicContact CB-CB 4.04Å; E499-Q521 HydrophobicContact CB-CG 4.18Å; E499-Q521 HydrophobicContact CG-CG 3.79Å; E499-Q521 PolarHBondContact O-NE2 2.86Å |
| 500 | R | 80.7 | Confident | 82.2 | Confident | 182 Ų | 182 | 69 Ų | 69 | 69% | 0.687 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -0.7 | 179.6 | -58.5 | -175.3 | -175.6 | -157.9 | -3.7 | 113.4 | S498 E502 | S498-R500 PolarHBondContact O-N 3.38Å; R500-E502 PolarHBondContact O-N 2.89Å |
| 501 | D | 82.3 | Confident | 82.4 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | trans | -81.1 | 97.1 | -178.3 | -179.2 | 7.3 | 0 | 0 | 0 | 111.5 | R496 Y497 S498 K503 N504 | R496-D501 WeakPolarHBondContact CA-OD2 3.39Å; Y497-D501 PolarHBondContact N-OD2 2.87Å; S498-D501 PolarHBondContact O-N 3.03Å; S498-D501 PolarHBondContact OG-N 2.91Å; D501-K503 VanDerWaalsContact C-N 3.28Å; D501-K503 PolarHBondContact O-N 2.87Å; D501-K503 PolarHBondContact OD1-N 3.22Å; D501-N504 VanDerWaalsContact CG-ND2 3.35Å; D501-N504 PolarHBondContact OD1-N 3.16Å; D501-N504 PolarHBondContact OD1-ND2 3.16Å; D501-N504 VanDerWaalsContact OD1-ND2 3.14Å; D501-N504 VanDerWaalsContact OD2-CB 3.26Å; D501-N504 WeakPolarHBondContact OD2-CB 3.45Å; D501-N504 PolarHBondContact OD2-ND2 3.44Å | ||
| 502 | E | 76.9 | Confident | 82.3 | Confident | 181 Ų | 181 | 73.2 Ų | 73.2 | 85% | 0.846 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.5 | 179.8 | -62.5 | -179.4 | 171.6 | 0 | 0 | 113.8 | R500 | R500-E502 PolarHBondContact O-N 2.89Š|
| 503 | K | 83.1 | Confident | 82.1 | Confident | 191 Ų | 191 | 71.7 Ų | 71.7 | 83% | 0.83 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -43.3 | -168.4 | -66.1 | -177.2 | -178.4 | 178.4 | 0 | 113.9 | D501 | D501-K503 VanDerWaalsContact C-N 3.28Å; D501-K503 PolarHBondContact O-N 2.87Å; D501-K503 PolarHBondContact OD1-N 3.22Å |
| 504 | N | 84 | Confident | 81.1 | Confident | 60 Ų | 60 | 73.2 Ų | 73.2 | 32% | 0.321 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -16.3 | -172.5 | -56.8 | -83.4 | 0 | 0 | 0 | 113.2 | Y497 D501 T506 | Y497-N504 HydrophobicContact CD1-CB 4.11Å; Y497-N504 HydrophobicContact CE1-CB 3.6Å; D501-N504 VanDerWaalsContact CG-ND2 3.35Å; D501-N504 PolarHBondContact OD1-N 3.16Å; D501-N504 PolarHBondContact OD1-ND2 3.16Å; D501-N504 VanDerWaalsContact OD1-ND2 3.14Å; D501-N504 VanDerWaalsContact OD2-CB 3.26Å; D501-N504 WeakPolarHBondContact OD2-CB 3.45Å; D501-N504 PolarHBondContact OD2-ND2 3.44Å; N504-T506 PolarHBondContact O-N 2.97Å |
| 505 | W | 84.2 | Confident | 80.4 | Confident | 24 Ų | 24 | 69.4 Ų | 69.4 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | trans | -73.4 | 120 | 174.6 | -73.3 | 130.2 | 0 | 0 | 0 | 111.2 | Y497 S498 L509 L510 L513 F515 W530 | Y497-W505 HydrophobicContact CD1-CD2 4.21Å; Y497-W505 HydrophobicContact CD1-CE3 4.02Å; Y497-W505 HydrophobicContact CD1-CH2 4.28Å; Y497-W505 HydrophobicContact CD1-CZ2 4.47Å; Y497-W505 HydrophobicContact CD1-CZ3 4.04Å; Y497-W505 WeakPolarHBondContact O-CZ2 3.41Å; S498-W505 PolarHBondContact O-NE1 3.36Å; W505-L509 HydrophobicContact CE3-CD2 3.79Å; W505-L509 HydrophobicContact CE3-CG 4.02Å; W505-L509 HydrophobicContact CZ3-CD2 3.85Å; W505-L509 HydrophobicContact CZ3-CG 3.9Å; W505-L510 HydrophobicContact CB-CD1 4.16Å; W505-L510 HydrophobicContact CB-CD2 3.94Å; W505-L510 HydrophobicContact CB-CG 4.03Å; W505-L510 HydrophobicContact CD2-CD2 3.49Å; W505-L510 VanDerWaalsContact CD2-CD2 3.49Å; W505-L510 HydrophobicContact CD2-CG 4.33Å; W505-L510 HydrophobicContact CE3-CD2 3.48Å; W505-L510 VanDerWaalsContact CE3-CD2 3.48Å; W505-L510 HydrophobicContact CE3-CG 4.11Å; W505-L510 HydrophobicContact CG-CD2 3.69Å; W505-L510 HydrophobicContact CG-CG 4.32Å; W505-L510 HydrophobicContact CZ3-CD2 4.12Å; W505-L513 HydrophobicContact CH2-CD1 3.91Å; W505-L513 HydrophobicContact CZ3-CD1 3.74Å; W505-F515 AromaticContact CE2-CD1 3.81Å; W505-F515 AromaticContact CE2-CE1 3.82Å; W505-F515 AromaticContact CH2-CD1 3.86Å; W505-F515 HydrophobicContact CH2-CD1 3.86Å; W505-F515 HydrophobicContact CH2-CE1 4.41Å; W505-F515 HydrophobicContact CH2-CG 4.35Å; W505-F515 AromaticContact CZ2-CD1 3.43Å; W505-F515 HydrophobicContact CZ2-CD1 3.43Å; W505-F515 VanDerWaalsContact CZ2-CD1 3.43Å; W505-F515 AromaticContact CZ2-CE1 3.56Å; W505-F515 HydrophobicContact CZ2-CE1 3.56Å; W505-F515 HydrophobicContact CZ2-CG 4.27Å; W505-F515 HydrophobicContact CZ2-CZ 4.49Å; W505-F515 AromaticContact NE1-CE1 3.89Å; W505-W530 HydrophobicContact CH2-CB 4.33Å | ||
| 506 | T | 84.1 | Confident | 79.6 | Confident | 66 Ų | 66 | 72.3 Ų | 72.3 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | trans | -99.5 | 149.3 | 167.6 | 61.4 | 0 | 0 | 0 | 0 | 110 | N504 E508 L509 L510 | N504-T506 PolarHBondContact O-N 2.97Å; T506-E508 PolarHBondContact O-N 3.07Å; T506-L509 PolarHBondContact O-N 3.28Å; T506-L509 WeakPolarHBondContact OG1-CB 3.5Å; T506-L509 PolarHBondContact OG1-N 3.29Å; T506-L510 WeakPolarHBondContact O-CG 2.99Å; T506-L510 PolarHBondContact O-N 3.03Å | ||
| 507 | P | 80.6 | Confident | 78.8 | Confident | 111 Ų | 111 | 68.8 Ų | 68.8 | 72% | 0.721 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -55.6 | -36.4 | 178.5 | -27.2 | 35 | 0 | 0 | 0 | 113.3 | K511 | P507-K511 WeakPolarHBondContact O-CB 3.37Å; P507-K511 PolarHBondContact O-N 3.35Å; P507-K511 VanDerWaalsContact O-N 3.09Å |
| 508 | E | 79.8 | Confident | 78 | Confident | 107 Ų | 107 | 75.4 Ų | 75.4 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 175.2 | -60.8 | -178.7 | 173.6 | 0 | 0 | 112.4 | Y476 K477 T506 K511 Y512 | Y476-E508 WeakPolarHBondContact OH-CB 3.35Å; Y476-E508 PolarHBondContact OH-OE2 3.46Å; K477-E508 IonicContact NZ-OE1 3.99Å; K477-E508 IonicContact NZ-OE2 2.67Å; K477-E508 PolarHBondContact NZ-OE2 2.97Å; T506-E508 PolarHBondContact O-N 3.07Å; E508-K511 PolarHBondContact O-N 2.57Å; E508-Y512 WeakPolarHBondContact O-CB 3.49Å; E508-Y512 PolarHBondContact O-N 3.04Å |
| 509 | L | 82.1 | Confident | 77 | Confident | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69 | -40.5 | 180 | -179.2 | 64.4 | 0 | 0 | 0 | 111.6 | Y476 F481 Y497 W505 T506 K511 Y512 L513 | Y476-L509 HydrophobicContact CD1-CD1 3.74Å; Y476-L509 HydrophobicContact CG-CD1 4.06Å; F481-L509 HydrophobicContact CD2-CD1 4.45Å; F481-L509 HydrophobicContact CE1-CD2 4.35Å; F481-L509 HydrophobicContact CE2-CD1 3.65Å; F481-L509 HydrophobicContact CE2-CD2 4.44Å; F481-L509 HydrophobicContact CZ-CD1 3.84Å; F481-L509 HydrophobicContact CZ-CD2 3.76Å; F481-L509 HydrophobicContact CZ-CG 4.42Å; Y497-L509 HydrophobicContact CD1-CD2 4.06Å; Y497-L509 HydrophobicContact CE1-CD2 3.79Å; W505-L509 HydrophobicContact CE3-CD2 3.79Å; W505-L509 HydrophobicContact CE3-CG 4.02Å; W505-L509 HydrophobicContact CZ3-CD2 3.85Å; W505-L509 HydrophobicContact CZ3-CG 3.9Å; T506-L509 PolarHBondContact O-N 3.28Å; T506-L509 WeakPolarHBondContact OG1-CB 3.5Å; T506-L509 PolarHBondContact OG1-N 3.29Å; L509-K511 VanDerWaalsContact C-N 3.3Å; L509-K511 PolarHBondContact O-N 3.01Å; L509-Y512 PolarHBondContact O-N 2.74Å; L509-L513 HydrophobicContact CD1-CD1 4.03Å; L509-L513 HydrophobicContact CD1-CG 3.99Å; L509-L513 HydrophobicContact CG-CD1 4.32Å; L509-L513 HydrophobicContact CG-CG 4.49Å; L509-L513 PolarHBondContact O-N 3.09Å |
| 510 | L | 80.6 | Confident | 76.5 | Confident | 41 Ų | 41 | 77 Ų | 77 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59 | -43.9 | 173.7 | -70.7 | 174.9 | 0 | 0 | 0 | 111 | W505 T506 N514 F515 P517 | W505-L510 HydrophobicContact CB-CD1 4.16Å; W505-L510 HydrophobicContact CB-CD2 3.94Å; W505-L510 HydrophobicContact CB-CG 4.03Å; W505-L510 HydrophobicContact CD2-CD2 3.49Å; W505-L510 VanDerWaalsContact CD2-CD2 3.49Å; W505-L510 HydrophobicContact CD2-CG 4.33Å; W505-L510 HydrophobicContact CE3-CD2 3.48Å; W505-L510 VanDerWaalsContact CE3-CD2 3.48Å; W505-L510 HydrophobicContact CE3-CG 4.11Å; W505-L510 HydrophobicContact CG-CD2 3.69Å; W505-L510 HydrophobicContact CG-CG 4.32Å; W505-L510 HydrophobicContact CZ3-CD2 4.12Å; T506-L510 WeakPolarHBondContact O-CG 2.99Å; T506-L510 PolarHBondContact O-N 3.03Å; L510-N514 CarbonylContact O-C 3.59Å; L510-N514 VanDerWaalsContact O-CA 3.28Å; L510-N514 WeakPolarHBondContact O-CA 3.37Å; L510-N514 PolarHBondContact O-N 3.23Å; L510-F515 HydrophobicContact CD2-CB 4.45Å; L510-F515 HydrophobicContact CD2-CD1 3.83Å; L510-F515 WeakPolarHBondContact CD2-O 3.45Å; L510-F515 PolarHBondContact O-N 2.72Å; L510-P517 HydrophobicContact CD1-CG 4.46Å; L510-P517 HydrophobicContact CD2-CG 3.85Å |
| 511 | K | 73.1 | Confident | 75.8 | Confident | 177 Ų | 177 | 73.2 Ų | 73.2 | 77% | 0.77 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 174.5 | -172.9 | 176 | -179.1 | 177.2 | 0 | 112 | P507 E508 L509 N514 | P507-K511 WeakPolarHBondContact O-CB 3.37Å; P507-K511 PolarHBondContact O-N 3.35Å; P507-K511 VanDerWaalsContact O-N 3.09Å; E508-K511 PolarHBondContact O-N 2.57Å; L509-K511 VanDerWaalsContact C-N 3.3Å; L509-K511 PolarHBondContact O-N 3.01Å; K511-N514 PolarHBondContact O-N 3.02Å |
| 512 | Y | 75.5 | Confident | 74.8 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 34% | 0.341 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.5 | -44.2 | -178.9 | 179 | -97.3 | 0 | 0 | 0 | 113 | R474 E475 Y476 E508 L509 N514 | R474-Y512 HydrophobicContact CB-CE1 4.18Å; E475-Y512 PolarHBondContact O-OH 3.02Å; E475-Y512 VanDerWaalsContact O-OH 3.05Å; Y476-Y512 AromaticContact CD2-CD1 3.74Å; Y476-Y512 HydrophobicContact CD2-CD1 3.74Å; Y476-Y512 AromaticContact CD2-CD2 3.72Å; Y476-Y512 HydrophobicContact CD2-CD2 3.72Å; Y476-Y512 HydrophobicContact CD2-CE1 4.14Å; Y476-Y512 HydrophobicContact CD2-CE2 4.11Å; Y476-Y512 AromaticContact CD2-CG 3.53Å; Y476-Y512 HydrophobicContact CD2-CG 3.53Å; Y476-Y512 HydrophobicContact CE2-CD2 4.13Å; Y476-Y512 HydrophobicContact CE2-CG 4.07Å; Y476-Y512 AromaticContact CG-CD1 3.96Å; Y476-Y512 HydrophobicContact CG-CD1 3.96Å; Y476-Y512 HydrophobicContact CG-CE1 4.37Å; Y476-Y512 HydrophobicContact CG-CG 4.15Å; E508-Y512 WeakPolarHBondContact O-CB 3.49Å; E508-Y512 PolarHBondContact O-N 3.04Å; L509-Y512 PolarHBondContact O-N 2.74Å; Y512-N514 PolarHBondContact O-N 3.31Å |
| 513 | L | 76.9 | Confident | 73.8 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -81.3 | -3.4 | 175.8 | -61 | -173.1 | 0 | 0 | 0 | 112.9 | R474 F481 W505 L509 F515 W530 | R474-L513 HydrophobicContact CB-CD2 3.68Å; R474-L513 HydrophobicContact CG-CD2 3.88Å; F481-L513 HydrophobicContact CB-CD1 4.44Å; F481-L513 HydrophobicContact CD1-CD1 4.33Å; F481-L513 HydrophobicContact CD2-CD1 4.26Å; F481-L513 HydrophobicContact CD2-CD2 4.42Å; F481-L513 HydrophobicContact CG-CD1 4.09Å; W505-L513 HydrophobicContact CH2-CD1 3.91Å; W505-L513 HydrophobicContact CZ3-CD1 3.74Å; L509-L513 HydrophobicContact CD1-CD1 4.03Å; L509-L513 HydrophobicContact CD1-CG 3.99Å; L509-L513 HydrophobicContact CG-CD1 4.32Å; L509-L513 HydrophobicContact CG-CG 4.49Å; L509-L513 PolarHBondContact O-N 3.09Å; L513-F515 HydrophobicContact CB-CB 4.42Å; L513-F515 PolarHBondContact O-N 3.32Å; L513-W530 HydrophobicContact CB-CZ2 4.26Å; L513-W530 HydrophobicContact CD1-CD2 4.1Å; L513-W530 HydrophobicContact CD1-CE3 4.32Å; L513-W530 HydrophobicContact CD1-CG 4.35Å; L513-W530 HydrophobicContact CD2-CH2 4.1Å; L513-W530 HydrophobicContact CD2-CZ2 4.31Å; L513-W530 HydrophobicContact CD2-CZ3 4.22Å |
| 514 | N | 67.5 | Low | 72.4 | Confident | 35 Ų | 35 | 71.5 Ų | 71.5 | 19% | 0.187 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 44.9 | -172.7 | -158.4 | 31.2 | 0 | 0 | 0 | 112.3 | I41 M45 Q54 L510 K511 Y512 | I41-N514 PolarHBondContact O-ND2 2.86Å; M45-N514 HydrophobicContact CG-CB 3.4Å; M45-N514 VanDerWaalsContact CG-CB 3.4Å; M45-N514 HydrophobicContact SD-CB 4.47Å; Q54-N514 PolarHBondContact NE2-OD1 2.95Å; Q54-N514 VanDerWaalsContact NE2-OD1 3.12Å; L510-N514 CarbonylContact O-C 3.59Å; L510-N514 VanDerWaalsContact O-CA 3.28Å; L510-N514 WeakPolarHBondContact O-CA 3.37Å; L510-N514 PolarHBondContact O-N 3.23Å; K511-N514 PolarHBondContact O-N 3.02Å; Y512-N514 PolarHBondContact O-N 3.31Å |
| 515 | F | 73.3 | Confident | 71 | Confident | 31 Ų | 31 | 71.5 Ų | 71.5 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | trans | -105.1 | 126.6 | -178.3 | -178.2 | -109.3 | 0 | 0 | 0 | 109.7 | E499 W505 L510 L513 P517 A520 W530 | E499-F515 HydrophobicContact CB-CZ 4.13Å; W505-F515 AromaticContact CE2-CD1 3.81Å; W505-F515 AromaticContact CE2-CE1 3.82Å; W505-F515 AromaticContact CH2-CD1 3.86Å; W505-F515 HydrophobicContact CH2-CD1 3.86Å; W505-F515 HydrophobicContact CH2-CE1 4.41Å; W505-F515 HydrophobicContact CH2-CG 4.35Å; W505-F515 AromaticContact CZ2-CD1 3.43Å; W505-F515 HydrophobicContact CZ2-CD1 3.43Å; W505-F515 VanDerWaalsContact CZ2-CD1 3.43Å; W505-F515 AromaticContact CZ2-CE1 3.56Å; W505-F515 HydrophobicContact CZ2-CE1 3.56Å; W505-F515 HydrophobicContact CZ2-CG 4.27Å; W505-F515 HydrophobicContact CZ2-CZ 4.49Å; W505-F515 AromaticContact NE1-CE1 3.89Å; L510-F515 HydrophobicContact CD2-CB 4.45Å; L510-F515 HydrophobicContact CD2-CD1 3.83Å; L510-F515 WeakPolarHBondContact CD2-O 3.45Å; L510-F515 PolarHBondContact O-N 2.72Å; L513-F515 HydrophobicContact CB-CB 4.42Å; L513-F515 PolarHBondContact O-N 3.32Å; F515-P517 HydrophobicContact CD1-CG 4.03Å; F515-P517 HydrophobicContact CE1-CB 4.21Å; F515-P517 HydrophobicContact CE1-CG 3.84Å; F515-A520 HydrophobicContact CE2-CB 3.79Å; F515-A520 HydrophobicContact CZ-CB 3.78Å; F515-W530 AromaticContact CD2-CD1 3.89Å | ||
| 516 | D | 70.6 | Confident | 70 | Confident | 70 Ų | 70 | 71.4 Ų | 71.4 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | trans | -110.4 | 109.5 | 169.8 | 176.5 | 22.2 | 0 | 0 | 0 | 110.5 | K518 T519 A520 | D516-K518 PolarHBondContact O-N 3.43Å; D516-K518 PolarHBondContact OD1-N 2.93Å; D516-T519 PolarHBondContact O-N 3.02Å; D516-T519 VanDerWaalsContact OD2-CB 3.23Å; D516-T519 WeakPolarHBondContact OD2-CB 3.32Å; D516-T519 PolarHBondContact OD2-N 2.91Å; D516-T519 PolarHBondContact OD2-OG1 3.27Å; D516-A520 WeakPolarHBondContact O-CB 3.36Å; D516-A520 PolarHBondContact O-N 3.04Å | ||
| 517 | P | 72.3 | Confident | 69.5 | Low | 24 Ų | 24 | 68.2 Ų | 68.2 | 16% | 0.156 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.3 | -34.2 | 177.1 | -23.4 | 33 | 0 | 0 | 0 | 113.1 | L510 F515 A520 Q521 | L510-P517 HydrophobicContact CD1-CG 4.46Å; L510-P517 HydrophobicContact CD2-CG 3.85Å; F515-P517 HydrophobicContact CD1-CG 4.03Å; F515-P517 HydrophobicContact CE1-CB 4.21Å; F515-P517 HydrophobicContact CE1-CG 3.84Å; P517-A520 PolarHBondContact O-N 2.94Å; P517-Q521 WeakPolarHBondContact O-CB 3.37Å; P517-Q521 VanDerWaalsContact O-CG 3.26Å; P517-Q521 WeakPolarHBondContact O-CG 3.45Å; P517-Q521 PolarHBondContact O-N 2.69Å |
| 518 | K | 68.5 | Low | 69.7 | Low | 153 Ų | 153 | 63.8 Ų | 63.8 | 67% | 0.665 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71.3 | -44.2 | -176.7 | -66.7 | -179.1 | -179.1 | 176.8 | 0 | 111.4 | D516 Q521 K522 | D516-K518 PolarHBondContact O-N 3.43Å; D516-K518 PolarHBondContact OD1-N 2.93Å; K518-Q521 PolarHBondContact O-N 2.75Å; K518-K522 WeakPolarHBondContact O-CG 3.19Å; K518-K522 PolarHBondContact O-N 2.87Å; K518-K522 VanDerWaalsContact O-N 3.12Å |
| 519 | T | 65.2 | Low | 70.1 | Confident | 47 Ų | 47 | 59 Ų | 59 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 172.5 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | D516 Q521 K522 F523 | D516-T519 PolarHBondContact O-N 3.02Å; D516-T519 VanDerWaalsContact OD2-CB 3.23Å; D516-T519 WeakPolarHBondContact OD2-CB 3.32Å; D516-T519 PolarHBondContact OD2-N 2.91Å; D516-T519 PolarHBondContact OD2-OG1 3.27Å; T519-Q521 VanDerWaalsContact C-N 3.3Å; T519-Q521 PolarHBondContact O-N 2.88Å; T519-K522 PolarHBondContact O-N 3.22Å; T519-F523 HydrophobicContact CG2-CD2 3.74Å; T519-F523 HydrophobicContact CG2-CE2 4.28Å; T519-F523 WeakPolarHBondContact O-CB 3.31Å; T519-F523 PolarHBondContact O-N 3.18Å |
| 520 | A | 66 | Low | 70.5 | Confident | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.033 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -28.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R492 E499 F515 D516 P517 | R492-A520 PolarHBondContact NH1-O 3.26Å; R492-A520 PolarHBondContact NH2-O 3.04Å; E499-A520 HydrophobicContact CB-CB 4.04Å; F515-A520 HydrophobicContact CE2-CB 3.79Å; F515-A520 HydrophobicContact CZ-CB 3.78Å; D516-A520 WeakPolarHBondContact O-CB 3.36Å; D516-A520 PolarHBondContact O-N 3.04Å; P517-A520 PolarHBondContact O-N 2.94Å |
| 521 | Q | 65.5 | Low | 71.1 | Confident | 104 Ų | 104 | 57.1 Ų | 57.1 | 49% | 0.486 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -78.6 | -36.1 | 174.4 | -74.7 | 176.9 | 15.8 | 0 | 0 | 112.8 | E499 P517 K518 T519 | E499-Q521 HydrophobicContact CB-CG 4.18Å; E499-Q521 HydrophobicContact CG-CG 3.79Å; E499-Q521 PolarHBondContact O-NE2 2.86Å; P517-Q521 WeakPolarHBondContact O-CB 3.37Å; P517-Q521 VanDerWaalsContact O-CG 3.26Å; P517-Q521 WeakPolarHBondContact O-CG 3.45Å; P517-Q521 PolarHBondContact O-N 2.69Å; K518-Q521 PolarHBondContact O-N 2.75Å; T519-Q521 VanDerWaalsContact C-N 3.3Å; T519-Q521 PolarHBondContact O-N 2.88Å |
| 522 | K | 60.1 | Low | 72.1 | Confident | 176 Ų | 176 | 48.8 Ų | 48.8 | 77% | 0.765 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -79.3 | -36.6 | -178.8 | -72.3 | 178.7 | -179.7 | -177.8 | 0 | 113.2 | K518 T519 | K518-K522 WeakPolarHBondContact O-CG 3.19Å; K518-K522 PolarHBondContact O-N 2.87Å; K518-K522 VanDerWaalsContact O-N 3.12Å; T519-K522 PolarHBondContact O-N 3.22Å |
| 523 | F | 56.2 | Low | 73 | Confident | 75 Ų | 75 | 44.7 Ų | 44.7 | 33% | 0.329 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -101.5 | 124.1 | 176.5 | -69.1 | -85.7 | 0 | 0 | 0 | 109 | T519 N525 | T519-F523 HydrophobicContact CG2-CD2 3.74Å; T519-F523 HydrophobicContact CG2-CE2 4.28Å; T519-F523 WeakPolarHBondContact O-CB 3.31Å; T519-F523 PolarHBondContact O-N 3.18Å; F523-N525 PolarHBondContact O-N 3.39Å |
| 524 | D | 54.5 | Low | 73.7 | Confident | 105 Ų | 105 | 48.6 Ų | 48.6 | 56% | 0.561 | 24% | 0.238 | S | C | * | . | trans | -68.8 | 80 | 169.6 | -163.3 | 24.3 | 0 | 0 | 0 | 108.4 | V526 | D524-V526 PolarHBondContact O-N 3.2Š| ||
| 525 | N | 53.4 | Low | 74.8 | Confident | 60 Ų | 60 | 47.3 Ų | 47.3 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | trans | -71.3 | 78.1 | -176.7 | -87.3 | -12.9 | 0 | 0 | 0 | 109.4 | F523 G527 V528 | F523-N525 PolarHBondContact O-N 3.39Å; N525-G527 PolarHBondContact O-N 2.92Å; N525-V528 PolarHBondContact O-N 3.02Å | ||
| 526 | V | 63.4 | Low | 75.8 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 35.5 | 35.3 | 156.4 | -148.5 | 0 | 0 | 0 | 0 | 117.3 | F288 K291 D524 V528 | F288-V526 HydrophobicContact CB-CG2 4.24Å; F288-V526 WeakPolarHBondContact O-CG1 3.39Å; F288-V526 WeakPolarHBondContact O-CG2 3.06Å; K291-V526 HydrophobicContact CG-CG1 4.48Å; D524-V526 PolarHBondContact O-N 3.2Å; V526-V528 VanDerWaalsContact C-N 3.31Å; V526-V528 PolarHBondContact O-N 2.79Å |
| 527 | G | 74.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 22.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116 | N486 S489 N525 | N486-G527 WeakPolarHBondContact CB-O 3.37Å; N486-G527 PolarHBondContact N-O 3.49Å; S489-G527 PolarHBondContact O-N 3.22Å; N525-G527 PolarHBondContact O-N 2.92Å |
| 528 | V | 84.7 | Confident | 77.5 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 11% | 0.109 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131.4 | -177.3 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | F288 L471 Q483 L484 K485 N525 V526 | F288-V528 HydrophobicContact CD1-CG2 3.76Å; F288-V528 HydrophobicContact CE1-CB 4.28Å; F288-V528 HydrophobicContact CE1-CG1 4.21Å; F288-V528 HydrophobicContact CE1-CG2 3.49Å; F288-V528 VanDerWaalsContact CE1-CG2 3.49Å; L471-V528 HydrophobicContact CD1-CG1 4.3Å; L471-V528 HydrophobicContact CD1-CG2 4.16Å; Q483-V528 HydrophobicContact CG-CG1 3.69Å; L484-V528 CarbonylContact O-C 3.16Å; L484-V528 VanDerWaalsContact O-CA 3.28Å; L484-V528 WeakPolarHBondContact O-CA 3.06Å; K485-V528 HydrophobicContact CB-CG2 3.85Å; K485-V528 HydrophobicContact CD-CG2 4.35Å; K485-V528 HydrophobicContact CG-CG2 3.9Å; N525-V528 PolarHBondContact O-N 3.02Å; V526-V528 VanDerWaalsContact C-N 3.31Å; V526-V528 PolarHBondContact O-N 2.79Å |
| 529 | F | 87.6 | Confident | 78.5 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 161.4 | -178.7 | 58.1 | -94.4 | 0 | 0 | 0 | 112.5 | L462 Y468 Q483 L484 N486 R492 W493 I531 | L462-F529 HydrophobicContact CD2-CZ 4.37Å; Y468-F529 HydrophobicContact CD1-CE1 4.29Å; Y468-F529 HydrophobicContact CD1-CZ 4.08Å; Y468-F529 HydrophobicContact CE1-CE1 4.23Å; Y468-F529 HydrophobicContact CE1-CZ 4.1Å; Q483-F529 CarbonylContact C-O 3.58Å; Q483-F529 WeakPolarHBondContact CA-O 3.34Å; L484-F529 HydrophobicContact CB-CD2 4.36Å; L484-F529 HydrophobicContact CB-CE1 4.45Å; L484-F529 HydrophobicContact CB-CE2 3.83Å; L484-F529 HydrophobicContact CB-CZ 3.89Å; L484-F529 HydrophobicContact CD1-CE2 3.95Å; L484-F529 HydrophobicContact CD1-CZ 4.21Å; L484-F529 HydrophobicContact CG-CE2 4.25Å; L484-F529 PolarHBondContact N-O 3.38Å; L484-F529 PolarHBondContact O-N 3.05Å; N486-F529 HydrophobicContact CB-CE1 4.4Å; R492-F529 HydrophobicContact CB-CD1 4.32Å; R492-F529 HydrophobicContact CG-CD1 4.44Å; W493-F529 HydrophobicContact CB-CB 4.29Å; W493-F529 HydrophobicContact CB-CD1 4.27Å; W493-F529 HydrophobicContact CB-CD2 3.25Å; W493-F529 HydrophobicContact CB-CE1 4.44Å; W493-F529 HydrophobicContact CB-CE2 3.47Å; W493-F529 VanDerWaalsContact CB-CE2 3.47Å; W493-F529 HydrophobicContact CB-CG 3.69Å; W493-F529 HydrophobicContact CB-CZ 4.07Å; W493-F529 HydrophobicContact CG-CD2 4.09Å; W493-F529 HydrophobicContact CG-CE2 4.26Å; F529-I531 HydrophobicContact CE2-CB 4.46Å |
| 530 | W | 90.3 | Very high | 79.8 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 144.2 | 171.4 | -70.9 | 99.6 | 0 | 0 | 0 | 110.4 | M45 D472 R474 F481 L482 Q483 W505 L513 F515 | M45-W530 HydrophobicContact CE-CZ2 4.03Å; D472-W530 HydrophobicContact CB-CH2 3.94Å; D472-W530 HydrophobicContact CB-CZ3 4.5Å; R474-W530 HydrophobicContact CB-CH2 4.34Å; R474-W530 HydrophobicContact CB-CZ3 4.19Å; R474-W530 HydrophobicContact CG-CH2 3.6Å; R474-W530 HydrophobicContact CG-CZ3 3.92Å; F481-W530 HydrophobicContact CB-CE3 3.78Å; F481-W530 HydrophobicContact CB-CZ3 4.03Å; L482-W530 WeakPolarHBondContact O-CA 3.02Å; Q483-W530 HydrophobicContact CB-CD2 3.89Å; Q483-W530 HydrophobicContact CB-CE3 3.73Å; Q483-W530 HydrophobicContact CB-CH2 3.81Å; Q483-W530 HydrophobicContact CB-CZ2 3.96Å; Q483-W530 HydrophobicContact CB-CZ3 3.7Å; Q483-W530 HydrophobicContact CG-CD2 4.34Å; Q483-W530 HydrophobicContact CG-CZ2 4.35Å; W505-W530 HydrophobicContact CH2-CB 4.33Å; L513-W530 HydrophobicContact CB-CZ2 4.26Å; L513-W530 HydrophobicContact CD1-CD2 4.1Å; L513-W530 HydrophobicContact CD1-CE3 4.32Å; L513-W530 HydrophobicContact CD1-CG 4.35Å; L513-W530 HydrophobicContact CD2-CH2 4.1Å; L513-W530 HydrophobicContact CD2-CZ2 4.31Å; L513-W530 HydrophobicContact CD2-CZ3 4.22Å; F515-W530 AromaticContact CD2-CD1 3.89Å |
| 531 | I | 93 | Very high | 80.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.2 | 173.9 | -169.3 | 169.6 | 0 | 0 | 0 | 109.6 | F481 L482 L484 W493 F529 D535 L536 Y540 | F481-I531 WeakPolarHBondContact CA-O 3.36Å; L482-I531 HydrophobicContact CB-CG2 4.32Å; L482-I531 PolarHBondContact N-O 2.88Å; L482-I531 PolarHBondContact O-N 2.82Å; L484-I531 HydrophobicContact CD1-CG2 3.77Å; L484-I531 HydrophobicContact CG-CG2 3.95Å; W493-I531 HydrophobicContact CD2-CD1 4.05Å; W493-I531 HydrophobicContact CD2-CG1 4.42Å; W493-I531 HydrophobicContact CE3-CD1 4.2Å; W493-I531 HydrophobicContact CH2-CD1 4.36Å; W493-I531 HydrophobicContact CZ2-CD1 4.17Å; W493-I531 HydrophobicContact CZ2-CG1 4.35Å; W493-I531 HydrophobicContact CZ3-CD1 4.34Å; F529-I531 HydrophobicContact CE2-CB 4.46Å; I531-D535 HydrophobicContact CD1-CB 3.96Å; I531-D535 HydrophobicContact CG1-CB 3.75Å; I531-L536 HydrophobicContact CD1-CB 4.5Å; I531-L536 HydrophobicContact CG2-CB 4.35Å; I531-L536 HydrophobicContact CG2-CD1 4.18Å; I531-Y540 HydrophobicContact CD1-CE2 4.02Å |
| 532 | S | 94.4 | Very high | 82.1 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 150.5 | 172.8 | 73.6 | 0 | 0 | 0 | 0 | 110.9 | R480 E534 D535 L536 | R480-S532 CarbonylContact O-C 3.58Å; R480-S532 WeakPolarHBondContact O-CA 3.4Å; S532-E534 PolarHBondContact O-N 3.06Å; S532-D535 PolarHBondContact O-N 3.48Å; S532-D535 VanDerWaalsContact OG-CB 3.3Å; S532-D535 WeakPolarHBondContact OG-CB 3.35Å; S532-D535 PolarHBondContact OG-N 2.8Å; S532-D535 PolarHBondContact OG-OD2 2.96Å; S532-L536 WeakPolarHBondContact O-CB 3.28Å; S532-L536 PolarHBondContact O-N 3.18Å |
| 533 | W | 94.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.2 | -35.7 | 174.6 | 173.4 | -118.8 | 0 | 0 | 0 | 111.9 | M418 F425 K427 T430 F431 L434 R480 L482 L536 C537 I543 | M418-W533 HydrophobicContact CE-CH2 3.9Å; M418-W533 HydrophobicContact CE-CZ2 4.5Å; M418-W533 HydrophobicContact CE-CZ3 4.12Å; F425-W533 HydrophobicContact CZ-CH2 4.27Å; F425-W533 HydrophobicContact CZ-CZ2 4.07Å; K427-W533 WeakPolarHBondContact O-CZ2 3.45Å; K427-W533 PolarHBondContact O-NE1 2.96Å; K427-W533 VanDerWaalsContact O-NE1 3.11Å; T430-W533 HydrophobicContact CG2-CH2 4.07Å; T430-W533 HydrophobicContact CG2-CZ2 4.36Å; F431-W533 HydrophobicContact CB-CD2 4.21Å; F431-W533 HydrophobicContact CB-CG 4.46Å; F431-W533 HydrophobicContact CB-CZ2 4.06Å; F431-W533 HydrophobicContact CD2-CB 4.14Å; F431-W533 AromaticContact CD2-CD2 3.74Å; F431-W533 HydrophobicContact CD2-CD2 3.74Å; F431-W533 HydrophobicContact CD2-CE3 4.07Å; F431-W533 AromaticContact CD2-CG 3.78Å; F431-W533 HydrophobicContact CD2-CG 3.78Å; F431-W533 HydrophobicContact CE2-CB 4.37Å; F431-W533 HydrophobicContact CE2-CG 4.48Å; F431-W533 HydrophobicContact CG-CD2 4.39Å; F431-W533 HydrophobicContact CG-CG 4.37Å; L434-W533 HydrophobicContact CD1-CH2 4.13Å; L434-W533 HydrophobicContact CD1-CZ3 4.16Å; R480-W533 HydrophobicContact CB-CB 3.57Å; R480-W533 HydrophobicContact CB-CG 4.4Å; R480-W533 PolarHBondContact O-N 3.44Å; L482-W533 HydrophobicContact CD1-CB 4.07Å; L482-W533 HydrophobicContact CD1-CD2 4.47Å; L482-W533 HydrophobicContact CD1-CE3 3.69Å; W533-L536 HydrophobicContact CE3-CD2 4.26Å; W533-L536 HydrophobicContact CZ3-CD2 3.96Å; W533-L536 PolarHBondContact O-N 3.34Å; W533-C537 VanDerWaalsContact CZ2-SG 3.57Å; W533-C537 PolarHBondContact O-N 2.82Å; W533-C537 PolarHBondContact O-SG 3.06Å; W533-I543 HydrophobicContact CH2-CD1 3.75Å; W533-I543 HydrophobicContact CZ3-CD1 3.84Å |
| 534 | E | 91.8 | Very high | 85.6 | Confident | 84 Ų | 84 | 27.9 Ų | 27.9 | 39% | 0.393 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -66 | -45.4 | 179.3 | -66.6 | 66.4 | -142.1 | 0 | 0 | 111.4 | S532 C537 Q538 | S532-E534 PolarHBondContact O-N 3.06Å; E534-C537 PolarHBondContact O-N 2.91Å; E534-Q538 PolarHBondContact O-N 3.46Å |
| 535 | D | 92.1 | Very high | 87.6 | Confident | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.043 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.3 | -39.7 | 176 | -64.6 | -34.4 | 0 | 0 | 0 | 110.4 | W493 R496 I531 S532 C537 Q538 Y539 | W493-D535 HydrophobicContact CH2-CB 4.4Å; W493-D535 HydrophobicContact CZ2-CB 4.04Å; R496-D535 IonicContact CZ-OD1 3.89Å; R496-D535 IonicContact CZ-OD2 3.39Å; R496-D535 IonicContact NE-OD1 2.72Å; R496-D535 PolarHBondContact NE-OD1 2.68Å; R496-D535 IonicContact NE-OD2 3.32Å; R496-D535 PolarHBondContact NE-OD2 3.12Å; R496-D535 VanDerWaalsContact NE-OD2 3.12Å; R496-D535 VanDerWaalsContact NH2-CG 3.3Å; R496-D535 IonicContact NH2-OD1 3.95Å; R496-D535 PolarHBondContact NH2-OD1 3.34Å; R496-D535 IonicContact NH2-OD2 3.47Å; R496-D535 PolarHBondContact NH2-OD2 3.35Å; I531-D535 HydrophobicContact CD1-CB 3.96Å; I531-D535 HydrophobicContact CG1-CB 3.75Å; S532-D535 PolarHBondContact O-N 3.48Å; S532-D535 VanDerWaalsContact OG-CB 3.3Å; S532-D535 WeakPolarHBondContact OG-CB 3.35Å; S532-D535 PolarHBondContact OG-N 2.8Å; S532-D535 PolarHBondContact OG-OD2 2.96Å; D535-C537 VanDerWaalsContact C-N 3.32Å; D535-C537 PolarHBondContact O-N 2.79Å; D535-Q538 WeakPolarHBondContact O-CB 3.42Å; D535-Q538 PolarHBondContact O-N 2.76Å; D535-Y539 HydrophobicContact CB-CD2 4.26Å; D535-Y539 HydrophobicContact CB-CE2 4.34Å; D535-Y539 WeakPolarHBondContact O-CD2 3.47Å; D535-Y539 PolarHBondContact O-N 3.31Å |
| 536 | L | 92.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 175.6 | -169.7 | 154.8 | 0 | 0 | 0 | 111 | M418 T447 L482 L484 I531 S532 W533 Q538 Y539 Y540 I543 | M418-L536 HydrophobicContact CE-CD2 3.55Å; M418-L536 HydrophobicContact SD-CD2 3.71Å; T447-L536 HydrophobicContact CG2-CD1 4.41Å; L482-L536 HydrophobicContact CB-CD1 4.21Å; L482-L536 HydrophobicContact CD1-CD1 4.16Å; L482-L536 HydrophobicContact CD2-CD1 3.82Å; L482-L536 HydrophobicContact CG-CD1 4.27Å; L484-L536 HydrophobicContact CD1-CD1 4.23Å; L484-L536 HydrophobicContact CD2-CD1 4.37Å; I531-L536 HydrophobicContact CD1-CB 4.5Å; I531-L536 HydrophobicContact CG2-CB 4.35Å; I531-L536 HydrophobicContact CG2-CD1 4.18Å; S532-L536 WeakPolarHBondContact O-CB 3.28Å; S532-L536 PolarHBondContact O-N 3.18Å; W533-L536 HydrophobicContact CE3-CD2 4.26Å; W533-L536 HydrophobicContact CZ3-CD2 3.96Å; W533-L536 PolarHBondContact O-N 3.34Å; L536-Q538 PolarHBondContact O-N 2.93Å; L536-Y539 PolarHBondContact O-N 3.22Å; L536-Y540 HydrophobicContact CB-CD2 4.4Å; L536-Y540 HydrophobicContact CD2-CG 4.48Å; L536-Y540 HydrophobicContact CG-CD2 3.88Å; L536-Y540 HydrophobicContact CG-CE2 4.39Å; L536-Y540 HydrophobicContact CG-CG 4.17Å; L536-Y540 VanDerWaalsContact O-CB 3.3Å; L536-Y540 WeakPolarHBondContact O-CB 3.44Å; L536-Y540 WeakPolarHBondContact O-CD2 3.02Å; L536-Y540 PolarHBondContact O-N 3.35Å; L536-I543 HydrophobicContact CD2-CD1 4.49Å |
| 537 | C | 90.6 | Very high | 91.3 | Very high | 14 Ų | 14 | 19.4 Ų | 19.4 | 10% | 0.095 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.4 | -16.4 | 175 | -65 | 0 | 0 | 0 | 0 | 114.7 | M418 K427 W533 E534 D535 | M418-C537 HydrophobicContact CE-CB 3.89Å; M418-C537 WeakPolarHBondContact CE-SG 3.36Å; K427-C537 HydrophobicContact CD-CB 4.32Å; W533-C537 VanDerWaalsContact CZ2-SG 3.57Å; W533-C537 PolarHBondContact O-N 2.82Å; W533-C537 PolarHBondContact O-SG 3.06Å; E534-C537 PolarHBondContact O-N 2.91Å; D535-C537 VanDerWaalsContact C-N 3.32Å; D535-C537 PolarHBondContact O-N 2.79Å |
| 538 | Q | 88.3 | Confident | 92.2 | Very high | 131 Ų | 131 | 20.2 Ų | 20.2 | 61% | 0.612 | 10% | 0.097 | S | C | * | . | H | α-helix | trans | -91 | -39.3 | 179.6 | 180 | 174.8 | -9.4 | 0 | 0 | 112.1 | E534 D535 L536 | E534-Q538 PolarHBondContact O-N 3.46Å; D535-Q538 WeakPolarHBondContact O-CB 3.42Å; D535-Q538 PolarHBondContact O-N 2.76Å; L536-Q538 PolarHBondContact O-N 2.93Å |
| 539 | Y | 89.7 | Confident | 92.6 | Very high | 42 Ų | 42 | 20 Ų | 20 | 17% | 0.165 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -104.2 | -12.6 | -171.7 | -63.6 | -76.4 | 0 | 0 | 0 | 114.5 | W460 L462 W493 D535 L536 | W460-Y539 AromaticContact CD1-CE1 3.8Å; W460-Y539 HydrophobicContact CD2-CE1 4.23Å; W460-Y539 AromaticContact CE2-CZ 3.98Å; W460-Y539 VanDerWaalsContact CE2-OH 3.3Å; W460-Y539 HydrophobicContact CG-CE1 4.1Å; W460-Y539 VanDerWaalsContact CZ2-OH 3.27Å; W460-Y539 WeakPolarHBondContact CZ2-OH 3.44Å; W460-Y539 AromaticContact NE1-CE1 3.74Å; L462-Y539 HydrophobicContact CD1-CD1 4.44Å; L462-Y539 HydrophobicContact CD1-CG 4.1Å; W493-Y539 AromaticContact CH2-CD2 3.58Å; W493-Y539 HydrophobicContact CH2-CD2 3.58Å; W493-Y539 AromaticContact CH2-CE2 3.44Å; W493-Y539 HydrophobicContact CH2-CE2 3.44Å; W493-Y539 VanDerWaalsContact CH2-CE2 3.44Å; W493-Y539 HydrophobicContact CH2-CG 4.39Å; W493-Y539 HydrophobicContact CZ2-CE2 4.38Å; W493-Y539 AromaticContact CZ3-CD2 3.98Å; W493-Y539 HydrophobicContact CZ3-CD2 3.98Å; W493-Y539 HydrophobicContact CZ3-CE2 4.17Å; W493-Y539 HydrophobicContact CZ3-CG 4.38Å; D535-Y539 HydrophobicContact CB-CD2 4.26Å; D535-Y539 HydrophobicContact CB-CE2 4.34Å; D535-Y539 WeakPolarHBondContact O-CD2 3.47Å; D535-Y539 PolarHBondContact O-N 3.31Å; L536-Y539 PolarHBondContact O-N 3.22Å |
| 540 | Y | 91.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 140.6 | -179.7 | -66.1 | -106.8 | 0 | 0 | 0 | 111.1 | T447 T449 L462 Y468 L484 I531 L536 | T447-Y540 HydrophobicContact CG2-CD1 3.53Å; T447-Y540 HydrophobicContact CG2-CE1 3.48Å; T447-Y540 VanDerWaalsContact CG2-CE1 3.48Å; T447-Y540 HydrophobicContact CG2-CG 4.39Å; T447-Y540 WeakPolarHBondContact OG1-CD1 3.46Å; T449-Y540 HydrophobicContact CG2-CD1 3.82Å; T449-Y540 HydrophobicContact CG2-CE1 3.66Å; T449-Y540 HydrophobicContact CG2-CE2 4.48Å; T449-Y540 HydrophobicContact CG2-CG 4.32Å; L462-Y540 HydrophobicContact CD1-CE2 4.28Å; L462-Y540 HydrophobicContact CD2-CE2 4.4Å; L462-Y540 WeakPolarHBondContact CD2-OH 3.39Å; Y468-Y540 AromaticContact CD2-CE1 3.56Å; Y468-Y540 HydrophobicContact CD2-CE1 3.56Å; Y468-Y540 AromaticContact CE2-CE1 3.96Å; Y468-Y540 HydrophobicContact CE2-CE1 3.96Å; Y468-Y540 HydrophobicContact CG-CE1 4.09Å; L484-Y540 HydrophobicContact CD1-CE1 4.16Å; L484-Y540 HydrophobicContact CD1-CE2 4.23Å; L484-Y540 VanDerWaalsContact CD1-OH 3.27Å; L484-Y540 WeakPolarHBondContact CD1-OH 3.35Å; I531-Y540 HydrophobicContact CD1-CE2 4.02Å; L536-Y540 HydrophobicContact CB-CD2 4.4Å; L536-Y540 HydrophobicContact CD2-CG 4.48Å; L536-Y540 HydrophobicContact CG-CD2 3.88Å; L536-Y540 HydrophobicContact CG-CE2 4.39Å; L536-Y540 HydrophobicContact CG-CG 4.17Å; L536-Y540 VanDerWaalsContact O-CB 3.3Å; L536-Y540 WeakPolarHBondContact O-CB 3.44Å; L536-Y540 WeakPolarHBondContact O-CD2 3.02Å; L536-Y540 PolarHBondContact O-N 3.35Å |
| 541 | D | 90.1 | Very high | 92.7 | Very high | 47 Ų | 47 | 25.9 Ų | 25.9 | 25% | 0.251 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -29.5 | -174.4 | -78.4 | 1.3 | 0 | 0 | 0 | 112.4 | M418 H419 A448 G450 | M418-D541 PolarHBondContact N-O 2.66Å; H419-D541 IonicContact CE1-OD1 3.85Å; H419-D541 PolarHBondContact CE1-OD1 3.29Å; H419-D541 IonicContact CE1-OD2 2.78Å; H419-D541 PolarHBondContact CE1-OD2 2.98Å; H419-D541 IonicContact ND1-OD1 2.89Å; H419-D541 IonicContact NE2-OD2 3.78Å; A448-D541 PolarHBondContact O-N 2.95Å; G450-D541 WeakPolarHBondContact CA-OD2 3.41Å |
| 542 | V | 91.6 | Very high | 92.6 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 5% | 0.048 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 136.4 | -166.6 | -170 | 0 | 0 | 0 | 0 | 111.9 | R415 I416 T447 A448 Y544 | R415-V542 HydrophobicContact CG-CG1 3.52Å; I416-V542 WeakPolarHBondContact O-CA 3.49Å; T447-V542 WeakPolarHBondContact CA-O 3.41Å; T447-V542 PolarHBondContact OG1-O 3.47Å; A448-V542 PolarHBondContact N-O 3.2Å; A448-V542 PolarHBondContact O-N 3.46Å; V542-Y544 HydrophobicContact CB-CE2 4.26Å; V542-Y544 HydrophobicContact CG1-CD1 4.02Å; V542-Y544 HydrophobicContact CG1-CD2 4.37Å; V542-Y544 HydrophobicContact CG1-CE1 3.62Å; V542-Y544 HydrophobicContact CG1-CE2 3.98Å; V542-Y544 HydrophobicContact CG1-CG 4.39Å |
| 543 | I | 94.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.8 | 164 | -52.5 | -179.9 | 0 | 0 | 0 | 108.5 | I416 M418 L434 I445 W533 L536 L545 | I416-I543 HydrophobicContact CB-CB 4.38Å; I416-I543 PolarHBondContact N-O 2.9Å; I416-I543 PolarHBondContact O-N 2.88Å; M418-I543 HydrophobicContact CE-CD1 3.93Å; M418-I543 HydrophobicContact CE-CG1 4.32Å; M418-I543 HydrophobicContact CG-CD1 4.39Å; M418-I543 HydrophobicContact CG-CG1 4.03Å; M418-I543 HydrophobicContact SD-CD1 3.75Å; M418-I543 HydrophobicContact SD-CG1 3.46Å; M418-I543 WeakPolarHBondContact SD-CG1 3.43Å; L434-I543 HydrophobicContact CD1-CD1 3.83Å; I445-I543 HydrophobicContact CG2-CG2 3.73Å; W533-I543 HydrophobicContact CH2-CD1 3.75Å; W533-I543 HydrophobicContact CZ3-CD1 3.84Å; L536-I543 HydrophobicContact CD2-CD1 4.49Å; I543-L545 HydrophobicContact CG2-CD2 3.7Å; I543-L545 HydrophobicContact CG2-CG 4.34Å |
| 544 | Y | 95.3 | Very high | 91.7 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.3 | 172.7 | -61.9 | -68.6 | 0 | 0 | 0 | 108.7 | N400 N402 R415 T446 A448 V542 | N400-Y544 HydrophobicContact CB-CE1 4.35Å; N402-Y544 HydrophobicContact CB-CD1 4.17Å; N402-Y544 WeakPolarHBondContact OD1-CB 3.06Å; R415-Y544 HydrophobicContact CB-CD1 4.4Å; R415-Y544 HydrophobicContact CB-CE1 4.47Å; R415-Y544 HydrophobicContact CG-CD1 4.14Å; R415-Y544 HydrophobicContact CG-CE1 3.86Å; T446-Y544 PolarHBondContact N-O 3.36Å; T446-Y544 VanDerWaalsContact N-O 3.08Å; T446-Y544 PolarHBondContact O-N 3.41Å; T446-Y544 WeakPolarHBondContact OG1-CB 3.22Å; A448-Y544 HydrophobicContact CB-CD2 4.43Å; A448-Y544 HydrophobicContact CB-CE2 3.73Å; V542-Y544 HydrophobicContact CB-CE2 4.26Å; V542-Y544 HydrophobicContact CG1-CD1 4.02Å; V542-Y544 HydrophobicContact CG1-CD2 4.37Å; V542-Y544 HydrophobicContact CG1-CE1 3.62Å; V542-Y544 HydrophobicContact CG1-CE2 3.98Å; V542-Y544 HydrophobicContact CG1-CG 4.39Å |
| 545 | L | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.7 | 178.6 | -55.6 | -178 | 0 | 0 | 0 | 109.2 | N402 P413 E414 I416 M433 L434 V443 I445 I543 W547 | N402-L545 PolarHBondContact OD1-O 3.4Å; P413-L545 CarbonylContact C-O 3.55Å; P413-L545 WeakPolarHBondContact CA-O 3.41Å; E414-L545 HydrophobicContact CB-CB 4.22Å; E414-L545 PolarHBondContact N-O 3.49Å; E414-L545 PolarHBondContact O-N 2.92Å; I416-L545 HydrophobicContact CD1-CD1 3.52Å; I416-L545 HydrophobicContact CD1-CG 4.27Å; I416-L545 HydrophobicContact CG1-CD1 4.3Å; M433-L545 HydrophobicContact CE-CD1 4.22Å; M433-L545 HydrophobicContact SD-CD1 4.29Å; L434-L545 HydrophobicContact CD2-CD1 4.03Å; L434-L545 HydrophobicContact CD2-CD2 3.41Å; L434-L545 VanDerWaalsContact CD2-CD2 3.41Å; L434-L545 HydrophobicContact CD2-CG 4.36Å; V443-L545 HydrophobicContact CG2-CB 3.92Å; V443-L545 HydrophobicContact CG2-CD2 4.08Å; V443-L545 HydrophobicContact CG2-CG 4.46Å; I445-L545 HydrophobicContact CB-CD2 4.32Å; I445-L545 HydrophobicContact CD1-CD2 4.5Å; I445-L545 HydrophobicContact CG1-CD2 3.82Å; I445-L545 HydrophobicContact CG2-CD2 3.96Å; I543-L545 HydrophobicContact CG2-CD2 3.7Å; I543-L545 HydrophobicContact CG2-CG 4.34Å; L545-W547 HydrophobicContact CD1-CH2 4.49Å; L545-W547 HydrophobicContact CD1-CZ2 3.61Å |
| 546 | S | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 114.3 | 168.2 | -158.8 | 0 | 0 | 0 | 0 | 108.2 | W411 I412 V443 L444 | W411-S546 WeakPolarHBondContact CB-OG 3.33Å; W411-S546 VanDerWaalsContact CE3-O 3.28Å; I412-S546 CarbonylContact O-C 3.59Å; I412-S546 WeakPolarHBondContact O-CA 3.26Å; V443-S546 CarbonylContact C-O 3.59Å; V443-S546 VanDerWaalsContact CA-O 3.31Å; V443-S546 WeakPolarHBondContact CA-O 3.47Å; V443-S546 WeakPolarHBondContact CG2-O 3.33Å; L444-S546 PolarHBondContact N-O 2.95Å; L444-S546 PolarHBondContact O-N 2.92Å |
| 547 | W | 96.8 | Very high | 91.6 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 3% | 0.034 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137 | -173.7 | -60.9 | 92.7 | 0 | 0 | 0 | 111.9 | W411 I412 E414 M433 R437 V443 L545 P549 L551 W598 | W411-W547 VanDerWaalsContact CB-O 3.3Å; W411-W547 WeakPolarHBondContact CB-O 3.5Å; I412-W547 HydrophobicContact CB-CB 4.15Å; I412-W547 PolarHBondContact N-O 3.02Å; I412-W547 PolarHBondContact O-N 3.33Å; E414-W547 VanDerWaalsContact OE2-CE2 3.3Å; E414-W547 WeakPolarHBondContact OE2-CZ2 3.34Å; E414-W547 PolarHBondContact OE2-NE1 3.34Å; M433-W547 HydrophobicContact CG-CH2 4.42Å; M433-W547 HydrophobicContact SD-CH2 3.57Å; M433-W547 VanDerWaalsContact SD-CH2 3.57Å; M433-W547 HydrophobicContact SD-CZ2 3.92Å; R437-W547 HydrophobicContact CB-CH2 4.36Å; R437-W547 HydrophobicContact CB-CZ3 3.9Å; R437-W547 HydrophobicContact CG-CH2 4.01Å; R437-W547 HydrophobicContact CG-CZ3 3.69Å; V443-W547 HydrophobicContact CB-CD2 4.41Å; V443-W547 HydrophobicContact CB-CE3 3.91Å; V443-W547 HydrophobicContact CB-CZ3 4.09Å; V443-W547 HydrophobicContact CG2-CD2 4.06Å; V443-W547 HydrophobicContact CG2-CE3 4.05Å; V443-W547 HydrophobicContact CG2-CZ3 4.32Å; L545-W547 HydrophobicContact CD1-CH2 4.49Å; L545-W547 HydrophobicContact CD1-CZ2 3.61Å; W547-P549 WeakPolarHBondContact O-CD 3.39Å; W547-L551 HydrophobicContact CB-CD1 4.3Å; W547-L551 HydrophobicContact CE3-CD1 3.91Å; W547-W598 HydrophobicContact CB-CH2 4.33Å; W547-W598 HydrophobicContact CB-CZ3 3.79Å; W547-W598 AromaticContact CD1-CH2 3.96Å; W547-W598 AromaticContact CD1-CZ3 3.64Å; W547-W598 AromaticContact CD2-CH2 3.66Å; W547-W598 HydrophobicContact CD2-CH2 3.66Å; W547-W598 AromaticContact CD2-CZ3 3.98Å; W547-W598 HydrophobicContact CD2-CZ3 3.98Å; W547-W598 AromaticContact CE2-CH2 3.83Å; W547-W598 HydrophobicContact CE3-CH2 4.15Å; W547-W598 AromaticContact CG-CH2 3.74Å; W547-W598 HydrophobicContact CG-CH2 3.74Å; W547-W598 AromaticContact CG-CZ3 3.52Å; W547-W598 HydrophobicContact CG-CZ3 3.52Å; W547-W598 HydrophobicContact CZ2-CH2 4.42Å |
| 548 | N | 94.8 | Very high | 91.7 | Very high | 17 Ų | 17 | 38.3 Ų | 38.3 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | trans | -62.2 | 119.3 | 176.2 | -173.1 | -10.9 | 0 | 0 | 0 | 110.3 | W411 D442 A550 L551 | W411-N548 HydrophobicContact CD2-CB 4.22Å; W411-N548 HydrophobicContact CE3-CB 4.04Å; W411-N548 HydrophobicContact CH2-CB 3.65Å; W411-N548 HydrophobicContact CZ2-CB 3.87Å; W411-N548 HydrophobicContact CZ3-CB 3.73Å; D442-N548 WeakPolarHBondContact O-CB 3.11Å; D442-N548 PolarHBondContact O-N 3.43Å; N548-A550 PolarHBondContact O-N 2.91Å; N548-A550 VanDerWaalsContact O-N 3.14Å; N548-A550 WeakPolarHBondContact OD1-CB 3.16Å; N548-A550 PolarHBondContact OD1-N 3.17Å; N548-L551 HydrophobicContact CB-CG 4.47Å; N548-L551 WeakPolarHBondContact O-CB 3.38Å; N548-L551 WeakPolarHBondContact O-CD1 3.49Å; N548-L551 WeakPolarHBondContact O-CG 3.32Å; N548-L551 PolarHBondContact O-N 3.37Å; N548-L551 VanDerWaalsContact O-N 3.1Å | ||
| 549 | P | 92.1 | Very high | 91.8 | Very high | 14 Ų | 14 | 32.1 Ų | 32.1 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -63.1 | -21.5 | 179.2 | 25.1 | -33.1 | 0 | 0 | 0 | 112.6 | W411 I412 W547 L551 F552 Y684 | W411-P549 VanDerWaalsContact CD1-CD 3.5Å; I412-P549 HydrophobicContact CD1-CB 4.47Å; I412-P549 HydrophobicContact CG1-CB 4.48Å; W547-P549 WeakPolarHBondContact O-CD 3.39Å; P549-L551 PolarHBondContact O-N 3.03Å; P549-F552 PolarHBondContact O-N 3.46Å; P549-Y684 HydrophobicContact CB-CE1 4.14Å |
| 550 | A | 90.4 | Very high | 91.8 | Very high | 76 Ų | 76 | 30.1 Ų | 30.1 | 63% | 0.628 | 16% | 0.164 | S | C | * | . | G | 310 helix | trans | -64.5 | -6.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N548 F552 | N548-A550 PolarHBondContact O-N 2.91Å; N548-A550 VanDerWaalsContact O-N 3.14Å; N548-A550 WeakPolarHBondContact OD1-CB 3.16Å; N548-A550 PolarHBondContact OD1-N 3.17Å; A550-F552 PolarHBondContact O-N 3.49Å |
| 551 | L | 89.7 | Confident | 91.2 | Very high | 56 Ų | 56 | 30.2 Ų | 30.2 | 29% | 0.293 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -62.9 | -22.5 | 167.4 | -68.3 | 170.4 | 0 | 0 | 0 | 112.7 | D442 W547 N548 P549 | D442-L551 HydrophobicContact CB-CD1 4.24Å; D442-L551 HydrophobicContact CB-CD2 3.92Å; D442-L551 HydrophobicContact CB-CG 4.49Å; D442-L551 VanDerWaalsContact CG-CD2 3.48Å; W547-L551 HydrophobicContact CB-CD1 4.3Å; W547-L551 HydrophobicContact CE3-CD1 3.91Å; N548-L551 HydrophobicContact CB-CG 4.47Å; N548-L551 WeakPolarHBondContact O-CB 3.38Å; N548-L551 WeakPolarHBondContact O-CD1 3.49Å; N548-L551 WeakPolarHBondContact O-CG 3.32Å; N548-L551 PolarHBondContact O-N 3.37Å; N548-L551 VanDerWaalsContact O-N 3.1Å; P549-L551 PolarHBondContact O-N 3.03Å |
| 552 | F | 91.1 | Very high | 90.2 | Very high | 28 Ų | 28 | 28.1 Ų | 28.1 | 12% | 0.123 | 16% | 0.155 | C | C | . | . | trans | -111.9 | 139.3 | -178 | -56.1 | -76.7 | 0 | 0 | 0 | 109.6 | I412 P549 A550 W598 Y684 | I412-F552 HydrophobicContact CD1-CD2 3.91Å; I412-F552 HydrophobicContact CD1-CE2 3.67Å; P549-F552 PolarHBondContact O-N 3.46Å; A550-F552 PolarHBondContact O-N 3.49Å; F552-W598 HydrophobicContact CE1-CD2 4.32Å; F552-W598 HydrophobicContact CE1-CG 4.33Å; F552-W598 AromaticContact CE2-CD2 4Å; F552-W598 HydrophobicContact CE2-CD2 4Å; F552-W598 AromaticContact CE2-CE3 3.62Å; F552-W598 HydrophobicContact CE2-CE3 3.62Å; F552-W598 AromaticContact CE2-CZ3 3.93Å; F552-W598 HydrophobicContact CE2-CZ3 3.93Å; F552-W598 HydrophobicContact CZ-CB 4.35Å; F552-W598 AromaticContact CZ-CD2 3.38Å; F552-W598 HydrophobicContact CZ-CD2 3.38Å; F552-W598 AromaticContact CZ-CE2 3.7Å; F552-W598 AromaticContact CZ-CE3 3.51Å; F552-W598 HydrophobicContact CZ-CE3 3.51Å; F552-W598 AromaticContact CZ-CG 3.78Å; F552-W598 HydrophobicContact CZ-CG 3.78Å; F552-W598 HydrophobicContact CZ-CH2 4.22Å; F552-W598 HydrophobicContact CZ-CZ2 4.12Å; F552-W598 AromaticContact CZ-CZ3 3.93Å; F552-W598 HydrophobicContact CZ-CZ3 3.93Å; F552-Y684 HydrophobicContact CD2-CD1 4.21Å; F552-Y684 HydrophobicContact CD2-CG 4.18Å | ||
| 553 | K | 85.3 | Confident | 88.1 | Confident | 180 Ų | 180 | 31.2 Ų | 31.2 | 78% | 0.783 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -78.5 | -39.7 | 179.2 | -68.3 | -179.8 | 179 | 177.8 | 0 | 111 | T685 | K553-T685 PolarHBondContact N-O 2.78Š|
| 554 | D | 83.8 | Confident | 85.8 | Confident | 75 Ų | 75 | 34.7 Ų | 34.7 | 40% | 0.401 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.7 | -173.8 | -60.5 | -56.1 | 0 | 0 | 0 | 110 | T685 F689 | D554-T685 PolarHBondContact N-O 3.07Å; D554-T685 VanDerWaalsContact N-O 3.16Å; D554-T685 PolarHBondContact O-N 3.37Å; D554-T685 VanDerWaalsContact O-N 3.14Å; D554-F689 HydrophobicContact CB-CD1 4.35Å; D554-F689 HydrophobicContact CB-CE1 3.77Å |
| 555 | S | 91.1 | Very high | 83.8 | Confident | 34 Ų | 34 | 34.2 Ų | 34.2 | 24% | 0.238 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 148.9 | 170.2 | 74.8 | 0 | 0 | 0 | 0 | 110.8 | V683 | S555-V683 WeakPolarHBondContact CA-O 3.17Å; S555-V683 WeakPolarHBondContact CB-O 3.42Å |
| 556 | S | 91.3 | Very high | 81.4 | Confident | 26 Ų | 26 | 38.4 Ų | 38.4 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 141.6 | 175.3 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | R682 V683 | S556-R682 CarbonylContact O-C 3.6Å; S556-R682 WeakPolarHBondContact O-CA 3.31Å; S556-V683 PolarHBondContact N-O 3.23Å; S556-V683 VanDerWaalsContact N-O 3.11Å; S556-V683 PolarHBondContact O-N 3.22Å |
| 557 | C | 92.3 | Very high | 78.7 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 152.7 | 175.1 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | Q210 T680 L681 R682 | Q210-C557 PolarHBondContact NE2-O 2.76Å; C557-T680 HydrophobicContact CB-CG2 4.06Å; C557-L681 CarbonylContact C-O 3.55Å; C557-L681 VanDerWaalsContact CA-O 3.26Å; C557-L681 WeakPolarHBondContact CA-O 3.45Å; C557-R682 HydrophobicContact CB-CB 3.93Å; C557-R682 HydrophobicContact CB-CG 3.91Å; C557-R682 PolarHBondContact SG-NH2 3.36Å; C557-R682 VanDerWaalsContact SG-NH2 3.43Å |
| 558 | I | 92.6 | Very high | 76.3 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 14% | 0.138 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131 | 168.1 | -63.7 | 172.3 | 0 | 0 | 0 | 108.1 | E216 Y584 T680 L681 F691 | E216-I558 WeakPolarHBondContact OE1-CA 3.43Å; I558-Y584 HydrophobicContact CB-CE1 4.32Å; I558-Y584 HydrophobicContact CD1-CD1 3.89Å; I558-Y584 HydrophobicContact CD1-CE1 3.95Å; I558-Y584 HydrophobicContact CG2-CE1 3.94Å; I558-T680 WeakPolarHBondContact O-CA 3.19Å; I558-L681 PolarHBondContact N-O 3.38Å; I558-L681 PolarHBondContact O-N 3.19Å; I558-F691 HydrophobicContact CB-CE1 4.16Å; I558-F691 HydrophobicContact CD1-CD1 3.92Å; I558-F691 HydrophobicContact CD1-CE1 3.56Å; I558-F691 HydrophobicContact CD1-CE2 4.46Å; I558-F691 HydrophobicContact CD1-CZ 3.85Å; I558-F691 HydrophobicContact CG1-CD1 4.16Å; I558-F691 HydrophobicContact CG1-CE1 3.66Å; I558-F691 HydrophobicContact CG1-CZ 4.3Å |
| 559 | H | 91.1 | Very high | 74.1 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.5 | 169.8 | -51.1 | -80.4 | 0 | 0 | 0 | 109.4 | Y212 E216 V219 L220 V349 T680 | Y212-H559 AromaticContact CE1-CD2 3.67Å; Y212-H559 AromaticContact CE1-NE2 3.59Å; E216-H559 HydrophobicContact CB-CB 4.16Å; E216-H559 HydrophobicContact CG-CB 3.95Å; E216-H559 WeakPolarHBondContact CG-O 3.23Å; E216-H559 IonicContact OE1-CD2 3.49Å; E216-H559 PolarHBondContact OE1-N 2.98Å; V219-H559 HydrophobicContact CG1-CB 4.36Å; L220-H559 HydrophobicContact CG-CB 4.33Å; V349-H559 VanDerWaalsContact CG1-CE1 3.46Å; V349-H559 WeakPolarHBondContact CG1-CE1 3.35Å; H559-T680 PolarHBondContact CE1-OG1 3.46Å; H559-T680 PolarHBondContact ND1-OG1 3.32Å |
| 560 | S | 88.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 153.1 | -179.7 | -164.9 | 0 | 0 | 0 | 0 | 109.8 | Y584 Y679 | S560-Y584 WeakPolarHBondContact CB-OH 3.42Å; S560-Y584 PolarHBondContact OG-OH 2.84Å; S560-Y679 PolarHBondContact N-O 2.87Å; S560-Y679 WeakPolarHBondContact O-CD1 3.39Å; S560-Y679 PolarHBondContact O-N 3.48Å |
| 561 | A | 80.4 | Confident | 70.5 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 5% | 0.05 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 156.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | V219 S563 T676 N678 | V219-A561 HydrophobicContact CG2-CB 4.03Å; A561-S563 WeakPolarHBondContact CB-OG 3.26Å; A561-S563 PolarHBondContact O-N 3.43Å; A561-S563 VanDerWaalsContact O-N 3.11Å; A561-T676 HydrophobicContact CB-CG2 4.35Å; A561-N678 WeakPolarHBondContact CA-OD1 3.26Å; A561-N678 WeakPolarHBondContact CB-OD1 3.25Å |
| 562 | C | 68.3 | Low | 69.3 | Low | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -67.3 | 10.3 | 156.5 | -73.6 | 0 | 0 | 0 | 0 | 112.1 | S564 W565 I677 | C562-S564 PolarHBondContact O-N 3.09Å; C562-W565 HydrophobicContact CB-CD2 4.47Å; C562-W565 HydrophobicContact CB-CE3 4.29Å; C562-W565 HydrophobicContact CB-CH2 4.37Å; C562-W565 HydrophobicContact CB-CZ3 4.26Å; C562-W565 PolarHBondContact O-N 3.4Å; C562-I677 WeakPolarHBondContact CB-O 3.32Å; C562-I677 PolarHBondContact N-O 2.81Å |
| 563 | S | 48.3 | Very low | 68.3 | Low | 73 Ų | 73 | 54.6 Ų | 54.6 | 51% | 0.51 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 16.5 | -172.3 | 69.9 | 0 | 0 | 0 | 0 | 115.8 | A561 | A561-S563 WeakPolarHBondContact CB-OG 3.26Å; A561-S563 PolarHBondContact O-N 3.43Å; A561-S563 VanDerWaalsContact O-N 3.11Å |
| 564 | S | 45.6 | Very low | 67.7 | Low | 76 Ų | 76 | 46.8 Ų | 46.8 | 53% | 0.531 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -9.4 | 155.7 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | C562 D566 N580 | C562-S564 PolarHBondContact O-N 3.09Å; S564-D566 PolarHBondContact O-N 2.69Å; S564-N580 PolarHBondContact OG-O 2.74Å; S564-N580 VanDerWaalsContact OG-O 3.14Å |
| 565 | W | 53.6 | Low | 67.1 | Low | 18 Ų | 18 | 47.3 Ų | 47.3 | 7% | 0.068 | 29% | 0.288 | C | S | . | . | trans | -88.2 | 92.2 | 172.1 | -57.4 | -13.3 | 0 | 0 | 0 | 109.9 | C562 G567 N580 Q670 K673 | C562-W565 HydrophobicContact CB-CD2 4.47Å; C562-W565 HydrophobicContact CB-CE3 4.29Å; C562-W565 HydrophobicContact CB-CH2 4.37Å; C562-W565 HydrophobicContact CB-CZ3 4.26Å; C562-W565 PolarHBondContact O-N 3.4Å; W565-G567 VanDerWaalsContact C-N 3.33Å; W565-G567 PolarHBondContact O-N 3.04Å; W565-N580 PolarHBondContact NE1-O 3.01Å; W565-Q670 HydrophobicContact CH2-CB 3.66Å; W565-Q670 HydrophobicContact CH2-CG 4.48Å; W565-Q670 HydrophobicContact CZ3-CB 4.15Å; W565-K673 HydrophobicContact CD2-CB 4.41Å; W565-K673 HydrophobicContact CD2-CD 3.87Å; W565-K673 HydrophobicContact CD2-CG 4.41Å; W565-K673 HydrophobicContact CE3-CB 3.67Å; W565-K673 HydrophobicContact CE3-CD 3.86Å; W565-K673 HydrophobicContact CE3-CG 3.89Å; W565-K673 HydrophobicContact CH2-CB 4.12Å; W565-K673 HydrophobicContact CH2-CD 3.44Å; W565-K673 VanDerWaalsContact CH2-CD 3.44Å; W565-K673 HydrophobicContact CH2-CG 3.42Å; W565-K673 VanDerWaalsContact CH2-CG 3.42Å; W565-K673 HydrophobicContact CZ2-CD 3.41Å; W565-K673 VanDerWaalsContact CZ2-CD 3.41Å; W565-K673 VanDerWaalsContact CZ2-CE 3.4Å; W565-K673 HydrophobicContact CZ2-CG 3.97Å; W565-K673 HydrophobicContact CZ3-CB 3.48Å; W565-K673 VanDerWaalsContact CZ3-CB 3.48Å; W565-K673 HydrophobicContact CZ3-CD 3.63Å; W565-K673 HydrophobicContact CZ3-CG 3.33Å | ||
| 566 | D | 45.9 | Very low | 66.3 | Low | 87 Ų | 87 | 48.4 Ų | 48.4 | 47% | 0.465 | 29% | 0.287 | S | S | . | . | trans | -53.2 | 110.9 | 141.6 | -165.1 | 14 | 0 | 0 | 0 | 104.3 | S564 K568 Q569 | S564-D566 PolarHBondContact O-N 2.69Å; D566-K568 CarbonylContact O-C 3.54Å; D566-K568 PolarHBondContact O-N 3.25Å; D566-Q569 HydrophobicContact CB-CB 4.38Å; D566-Q569 HydrophobicContact CB-CG 4.09Å; D566-Q569 PolarHBondContact O-N 3.41Å; D566-Q569 PolarHBondContact OD2-NE2 3.13Å | ||
| 567 | G | 40.3 | Very low | 65.9 | Low | 74 Ų | 74 | 47.5 Ų | 47.5 | 76% | 0.763 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 7.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | W565 | W565-G567 VanDerWaalsContact C-N 3.33Å; W565-G567 PolarHBondContact O-N 3.04Å |
| 568 | K | 44.7 | Very low | 65.6 | Low | 188 Ų | 188 | 47.6 Ų | 47.6 | 82% | 0.817 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -5.6 | 175.3 | -59.1 | 177 | -178.8 | 175.3 | 0 | 113.1 | D566 | D566-K568 CarbonylContact O-C 3.54Å; D566-K568 PolarHBondContact O-N 3.25Å |
| 569 | Q | 49.9 | Very low | 65.1 | Low | 74 Ų | 74 | 46.4 Ų | 46.4 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -125.1 | 92.4 | -169.8 | -62 | -165.7 | 46.9 | 0 | 0 | 113.1 | D566 N580 | D566-Q569 HydrophobicContact CB-CB 4.38Å; D566-Q569 HydrophobicContact CB-CG 4.09Å; D566-Q569 PolarHBondContact O-N 3.41Å; D566-Q569 PolarHBondContact OD2-NE2 3.13Å; Q569-N580 PolarHBondContact O-ND2 2.82Å |
| 570 | G | 52.1 | Low | 64.5 | Low | 42 Ų | 42 | 47.9 Ų | 47.9 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 130.5 | 167.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 571 | P | 54 | Low | 64.4 | Low | 11 Ų | 11 | 48.2 Ų | 48.2 | 7% | 0.071 | 29% | 0.285 | C | S | . | . | trans | -69.4 | 144.1 | 176.9 | 25.1 | -31 | 0 | 0 | 0 | 112.4 | K573 Y576 T577 K673 | P571-K573 WeakPolarHBondContact CB-O 3.43Å; P571-K573 WeakPolarHBondContact CG-O 3.44Å; P571-K573 PolarHBondContact O-N 3.21Å; P571-K573 VanDerWaalsContact O-N 3.15Å; P571-Y576 HydrophobicContact CB-CD1 4.28Å; P571-Y576 HydrophobicContact CB-CE1 3.45Å; P571-Y576 VanDerWaalsContact CB-CE1 3.45Å; P571-Y576 HydrophobicContact CB-CE2 4.22Å; P571-Y576 VanDerWaalsContact CB-CZ 3.44Å; P571-Y576 WeakPolarHBondContact CB-OH 3.35Å; P571-Y576 HydrophobicContact CG-CE1 3.99Å; P571-Y576 HydrophobicContact CG-CE2 3.99Å; P571-T577 HydrophobicContact CG-CG2 3.63Å; P571-K673 WeakPolarHBondContact O-CD 3.34Å | ||
| 572 | V | 64.8 | Low | 64.8 | Low | 84 Ų | 84 | 48.3 Ų | 48.3 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -56 | -29 | 171.4 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | E672 K673 | V572-E672 HydrophobicContact CG1-CB 4.5Å; V572-E672 HydrophobicContact CG1-CG 4.4Å; V572-E672 WeakPolarHBondContact O-CA 3.48Å; V572-K673 WeakPolarHBondContact O-CG 3.34Å; V572-K673 PolarHBondContact O-N 3.42Å |
| 573 | K | 69.6 | Low | 66 | Low | 68 Ų | 68 | 48.7 Ų | 48.7 | 30% | 0.296 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -127.7 | 147.6 | 179.7 | -58.8 | -164.3 | 174.5 | -168.6 | 0 | 110.8 | P571 V575 Y671 E672 | P571-K573 WeakPolarHBondContact CB-O 3.43Å; P571-K573 WeakPolarHBondContact CG-O 3.44Å; P571-K573 PolarHBondContact O-N 3.21Å; P571-K573 VanDerWaalsContact O-N 3.15Å; K573-V575 HydrophobicContact CB-CG2 3.72Å; K573-V575 PolarHBondContact O-N 2.83Å; K573-Y671 PolarHBondContact NZ-OH 3.16Å; K573-Y671 VanDerWaalsContact NZ-OH 3.17Å; K573-E672 WeakPolarHBondContact CE-OE1 3.41Å; K573-E672 HydrophobicContact CG-CG 4.43Å; K573-E672 IonicContact NZ-OE1 3.77Å; K573-E672 PolarHBondContact NZ-OE1 3.37Å |
| 574 | D | 72.7 | Confident | 68.2 | Low | 16 Ų | 16 | 45.2 Ų | 45.2 | 9% | 0.086 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 43.7 | 178.4 | -71.7 | -24.6 | 0 | 0 | 0 | 113.7 | L578 N581 P633 S669 K673 | D574-L578 HydrophobicContact CB-CD2 3.66Å; D574-L578 VanDerWaalsContact CG-CD2 3.49Å; D574-N581 PolarHBondContact OD1-ND2 3.27Å; D574-N581 PolarHBondContact OD1-OD1 2.77Å; D574-N581 PolarHBondContact OD2-ND2 3Å; D574-P633 WeakPolarHBondContact O-CG 3.47Å; D574-S669 VanDerWaalsContact OD2-CB 3.31Å; D574-S669 WeakPolarHBondContact OD2-CB 3.47Å; D574-S669 PolarHBondContact OD2-OG 2.87Å; D574-K673 WeakPolarHBondContact OD1-CE 3.1Å; D574-K673 IonicContact OD1-NZ 2.72Å; D574-K673 PolarHBondContact OD1-NZ 3.27Å |
| 575 | V | 72.8 | Confident | 70.6 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 52% | 0.521 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -34.4 | -173.4 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | K573 | K573-V575 HydrophobicContact CB-CG2 3.72Å; K573-V575 PolarHBondContact O-N 2.83Å |
| 576 | Y | 73.6 | Confident | 72.7 | Confident | 56 Ų | 56 | 44.4 Ų | 44.4 | 22% | 0.22 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -135.1 | -11.5 | -170.9 | 61.4 | -97 | 0 | 0 | 0 | 115 | P571 R747 F781 | P571-Y576 HydrophobicContact CB-CD1 4.28Å; P571-Y576 HydrophobicContact CB-CE1 3.45Å; P571-Y576 VanDerWaalsContact CB-CE1 3.45Å; P571-Y576 HydrophobicContact CB-CE2 4.22Å; P571-Y576 VanDerWaalsContact CB-CZ 3.44Å; P571-Y576 WeakPolarHBondContact CB-OH 3.35Å; P571-Y576 HydrophobicContact CG-CE1 3.99Å; P571-Y576 HydrophobicContact CG-CE2 3.99Å; Y576-R747 HydrophobicContact CD1-CG 4.41Å; Y576-R747 HydrophobicContact CE1-CG 3.87Å; Y576-F781 HydrophobicContact CD2-CB 3.59Å; Y576-F781 HydrophobicContact CD2-CG 4.47Å; Y576-F781 HydrophobicContact CE2-CB 4.04Å |
| 577 | T | 82.5 | Confident | 75.1 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | trans | -151.5 | 141.6 | 172.5 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | P571 A579 Y631 F781 | P571-T577 HydrophobicContact CG-CG2 3.63Å; T577-A579 WeakPolarHBondContact OG1-CB 3.01Å; T577-A579 PolarHBondContact OG1-N 2.9Å; T577-A579 VanDerWaalsContact OG1-N 3.15Å; T577-Y631 CarbonylContact C-O 3.49Å; T577-Y631 VanDerWaalsContact CA-O 3.27Å; T577-Y631 WeakPolarHBondContact CA-O 3.44Å; T577-Y631 PolarHBondContact OG1-O 3.25Å; T577-F781 WeakPolarHBondContact OG1-CE1 3.31Å | ||
| 578 | L | 85.3 | Confident | 77.6 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | trans | -111.8 | 2.6 | 170.6 | -66.3 | 178.5 | 0 | 0 | 0 | 112.2 | D574 N580 N581 Q583 Y623 V630 Y631 P633 V667 | D574-L578 HydrophobicContact CB-CD2 3.66Å; D574-L578 VanDerWaalsContact CG-CD2 3.49Å; L578-N580 PolarHBondContact O-N 3.18Å; L578-N580 VanDerWaalsContact O-N 3.09Å; L578-N581 WeakPolarHBondContact CD2-ND2 3.25Å; L578-N581 WeakPolarHBondContact O-CB 3.38Å; L578-N581 PolarHBondContact O-N 3.42Å; L578-Q583 PolarHBondContact O-NE2 3.47Å; L578-Q583 VanDerWaalsContact O-NE2 3.13Å; L578-Y623 HydrophobicContact CD1-CE2 4.03Å; L578-Y623 VanDerWaalsContact CD1-OH 3.25Å; L578-Y623 WeakPolarHBondContact CD1-OH 3.41Å; L578-V630 HydrophobicContact CD1-CG1 4.11Å; L578-Y631 PolarHBondContact N-O 3.08Å; L578-P633 HydrophobicContact CD1-CB 4.19Å; L578-P633 HydrophobicContact CD1-CG 4.44Å; L578-P633 HydrophobicContact CD2-CG 4.5Å; L578-P633 HydrophobicContact CG-CB 4.28Å; L578-P633 HydrophobicContact CG-CG 4Å; L578-V667 HydrophobicContact CB-CG1 4.49Å; L578-V667 HydrophobicContact CD1-CG1 4.33Å; L578-V667 HydrophobicContact CD2-CG1 4.39Å | ||
| 579 | A | 82 | Confident | 80 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T577 K629 Y631 F781 | T577-A579 WeakPolarHBondContact OG1-CB 3.01Å; T577-A579 PolarHBondContact OG1-N 2.9Å; T577-A579 VanDerWaalsContact OG1-N 3.15Å; A579-K629 WeakPolarHBondContact O-CE 3.42Å; A579-K629 PolarHBondContact O-NZ 3.47Å; A579-Y631 HydrophobicContact CB-CD1 3.55Å; A579-Y631 HydrophobicContact CB-CE1 3.98Å; A579-Y631 HydrophobicContact CB-CG 4.43Å; A579-F781 HydrophobicContact CB-CZ 4.3Å |
| 580 | N | 80 | Confident | 82 | Confident | 33 Ų | 33 | 32 Ų | 32 | 18% | 0.176 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -6.7 | -179.7 | -61.5 | -14.4 | 0 | 0 | 0 | 113.1 | S564 W565 Q569 L578 | S564-N580 PolarHBondContact OG-O 2.74Å; S564-N580 VanDerWaalsContact OG-O 3.14Å; W565-N580 PolarHBondContact NE1-O 3.01Å; Q569-N580 PolarHBondContact O-ND2 2.82Å; L578-N580 PolarHBondContact O-N 3.18Å; L578-N580 VanDerWaalsContact O-N 3.09Å |
| 581 | N | 86 | Confident | 83.9 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -75.2 | 145.8 | 177.8 | -70.3 | 21.5 | 0 | 0 | 0 | 109.3 | D574 L578 Q583 V667 V668 K673 | D574-N581 PolarHBondContact OD1-ND2 3.27Å; D574-N581 PolarHBondContact OD1-OD1 2.77Å; D574-N581 PolarHBondContact OD2-ND2 3Å; L578-N581 WeakPolarHBondContact CD2-ND2 3.25Å; L578-N581 WeakPolarHBondContact O-CB 3.38Å; L578-N581 PolarHBondContact O-N 3.42Å; N581-Q583 VanDerWaalsContact O-CG 3.23Å; N581-Q583 WeakPolarHBondContact O-CG 3.09Å; N581-Q583 PolarHBondContact O-N 2.95Å; N581-V667 HydrophobicContact CB-CG1 3.7Å; N581-V668 WeakPolarHBondContact CB-O 3.13Å; N581-V668 PolarHBondContact ND2-O 2.87Å; N581-K673 PolarHBondContact OD1-NZ 2.84Å |
| 582 | P | 88.8 | Confident | 85.4 | Confident | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | trans | -60.1 | 131 | 171.2 | -23.8 | 34.9 | 0 | 0 | 0 | 111 | Y584 V668 Y679 | P582-Y584 HydrophobicContact CB-CE2 4.01Å; P582-V668 PolarHBondContact O-N 3.24Å; P582-V668 VanDerWaalsContact O-N 3.1Å; P582-Y679 WeakPolarHBondContact CB-OH 3.33Å; P582-Y679 HydrophobicContact CG-CE1 4.38Å; P582-Y679 WeakPolarHBondContact CG-OH 3.31Å | ||
| 583 | Q | 93.1 | Very high | 86.3 | Confident | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.5 | -179.7 | -45.2 | -168.9 | 17.6 | 0 | 0 | 110.9 | L578 N581 V630 T665 L666 V667 I694 | L578-Q583 PolarHBondContact O-NE2 3.47Å; L578-Q583 VanDerWaalsContact O-NE2 3.13Å; N581-Q583 VanDerWaalsContact O-CG 3.23Å; N581-Q583 WeakPolarHBondContact O-CG 3.09Å; N581-Q583 PolarHBondContact O-N 2.95Å; Q583-V630 PolarHBondContact NE2-O 2.71Å; Q583-T665 HydrophobicContact CB-CG2 4.24Å; Q583-L666 CarbonylContact C-O 3.47Å; Q583-L666 VanDerWaalsContact CA-O 3.23Å; Q583-L666 WeakPolarHBondContact CA-O 3.35Å; Q583-V667 HydrophobicContact CG-CG1 4.36Å; Q583-V667 HydrophobicContact CG-CG2 4.01Å; Q583-I694 HydrophobicContact CB-CD1 3.86Å; Q583-I694 HydrophobicContact CB-CG1 4.5Å; Q583-I694 PolarHBondContact O-N 2.96Å |
| 584 | Y | 95.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.4 | -175.4 | -58.1 | -94.8 | 0 | 0 | 0 | 110.2 | I558 S560 P582 T665 L666 V668 Y679 L681 F691 A692 K693 | I558-Y584 HydrophobicContact CB-CE1 4.32Å; I558-Y584 HydrophobicContact CD1-CD1 3.89Å; I558-Y584 HydrophobicContact CD1-CE1 3.95Å; I558-Y584 HydrophobicContact CG2-CE1 3.94Å; S560-Y584 WeakPolarHBondContact CB-OH 3.42Å; S560-Y584 PolarHBondContact OG-OH 2.84Å; P582-Y584 HydrophobicContact CB-CE2 4.01Å; Y584-T665 CarbonylContact O-C 3.58Å; Y584-T665 WeakPolarHBondContact O-CA 3.28Å; Y584-L666 PolarHBondContact N-O 3.37Å; Y584-L666 PolarHBondContact O-N 2.78Å; Y584-V668 HydrophobicContact CD2-CG2 4.46Å; Y584-V668 HydrophobicContact CE2-CG2 4.01Å; Y584-Y679 HydrophobicContact CE2-CE2 4.28Å; Y584-Y679 PolarHBondContact OH-OH 2.83Å; Y584-L681 HydrophobicContact CD2-CD2 3.65Å; Y584-L681 HydrophobicContact CE2-CD2 3.96Å; Y584-L681 HydrophobicContact CG-CD2 4.01Å; Y584-F691 HydrophobicContact CD1-CE2 4.01Å; Y584-F691 HydrophobicContact CD1-CZ 4.05Å; Y584-F691 AromaticContact CG-CE2 3.98Å; Y584-F691 HydrophobicContact CG-CE2 3.98Å; Y584-F691 HydrophobicContact CG-CZ 4.29Å; Y584-A692 CarbonylContact C-O 3.57Å; Y584-A692 VanDerWaalsContact CA-O 3.3Å; Y584-A692 WeakPolarHBondContact CA-O 3.48Å; Y584-K693 HydrophobicContact CD1-CB 3.99Å; Y584-K693 HydrophobicContact CD1-CG 4.39Å; Y584-K693 HydrophobicContact CE1-CB 3.9Å; Y584-K693 HydrophobicContact CE1-CG 4.05Å |
| 585 | K | 96.3 | Very high | 88.1 | Confident | 78 Ų | 78 | 34.6 Ų | 34.6 | 34% | 0.339 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.7 | 170.5 | -178.1 | 179.4 | 179 | -164.5 | 0 | 108.2 | E587 T663 F691 A692 I694 | K585-E587 WeakPolarHBondContact CE-OE2 3.49Å; K585-E587 IonicContact NZ-OE2 3.88Å; K585-E587 PolarHBondContact NZ-OE2 2.8Å; K585-T663 HydrophobicContact CD-CG2 4.34Å; K585-T663 HydrophobicContact CG-CG2 4.07Å; K585-F691 WeakPolarHBondContact O-CA 3.42Å; K585-A692 PolarHBondContact N-O 3.32Å; K585-A692 PolarHBondContact O-N 3.41Å; K585-A692 VanDerWaalsContact O-N 3.08Å; K585-I694 HydrophobicContact CB-CG1 4.02Å |
| 586 | L | 96.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 113.3 | 172 | 172.7 | 61.6 | 0 | 0 | 0 | 109 | V588 V597 V599 I654 T663 F664 L666 V683 F689 T690 F691 | L586-V588 HydrophobicContact CD1-CG2 3.84Å; L586-V588 HydrophobicContact CD2-CG2 4.36Å; L586-V588 HydrophobicContact CG-CG2 3.86Å; L586-V597 HydrophobicContact CD2-CG1 4Å; L586-V599 HydrophobicContact CD2-CG2 4.14Å; L586-I654 HydrophobicContact CD2-CD1 4.45Å; L586-T663 CarbonylContact O-C 3.56Å; L586-T663 WeakPolarHBondContact O-CA 2.91Å; L586-F664 HydrophobicContact CB-CB 4.4Å; L586-F664 PolarHBondContact N-O 3.24Å; L586-F664 PolarHBondContact O-N 3.17Å; L586-L666 HydrophobicContact CB-CD1 3.99Å; L586-L666 HydrophobicContact CB-CG 4.15Å; L586-L666 HydrophobicContact CD2-CD1 4.04Å; L586-L666 HydrophobicContact CD2-CD2 4.34Å; L586-V683 HydrophobicContact CD1-CG1 4.01Å; L586-V683 HydrophobicContact CD1-CG2 4.3Å; L586-V683 HydrophobicContact CD2-CG1 4.46Å; L586-F689 HydrophobicContact CD1-CB 4.41Å; L586-F689 HydrophobicContact CD1-CD2 3.86Å; L586-T690 WeakPolarHBondContact CA-O 3.42Å; L586-F691 HydrophobicContact CB-CD2 4.43Å; L586-F691 HydrophobicContact CD1-CB 4.23Å; L586-F691 HydrophobicContact CD1-CD2 4.47Å |
| 587 | E | 96.1 | Very high | 90.1 | Very high | 52 Ų | 52 | 30.1 Ų | 30.1 | 24% | 0.243 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.4 | 178.3 | -172.7 | 175.8 | 115.1 | 0 | 0 | 109.3 | K585 T661 H662 T663 F689 T690 | K585-E587 WeakPolarHBondContact CE-OE2 3.49Å; K585-E587 IonicContact NZ-OE2 3.88Å; K585-E587 PolarHBondContact NZ-OE2 2.8Å; E587-T661 HydrophobicContact CG-CG2 3.48Å; E587-T661 VanDerWaalsContact CG-CG2 3.48Å; E587-H662 CarbonylContact C-O 3.52Å; E587-H662 WeakPolarHBondContact CA-O 3.37Å; E587-T663 HydrophobicContact CB-CG2 4.43Å; E587-F689 CarbonylContact O-C 3.53Å; E587-F689 WeakPolarHBondContact O-CA 3.41Å; E587-F689 VanDerWaalsContact O-CB 3.31Å; E587-F689 WeakPolarHBondContact O-CB 3.43Å; E587-T690 PolarHBondContact N-O 2.94Å; E587-T690 PolarHBondContact O-N 2.95Å |
| 588 | V | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130 | -172 | -174.8 | 0 | 0 | 0 | 0 | 110 | L586 C590 V597 L656 T661 H662 C687 F689 | L586-V588 HydrophobicContact CD1-CG2 3.84Å; L586-V588 HydrophobicContact CD2-CG2 4.36Å; L586-V588 HydrophobicContact CG-CG2 3.86Å; V588-C590 PolarHBondContact O-N 3.15Å; V588-V597 HydrophobicContact CB-CG2 4.41Å; V588-V597 HydrophobicContact CG1-CG2 3.79Å; V588-V597 HydrophobicContact CG2-CG1 4.41Å; V588-V597 HydrophobicContact CG2-CG2 4.02Å; V588-L656 HydrophobicContact CB-CD1 4.19Å; V588-L656 HydrophobicContact CG1-CD1 3.94Å; V588-T661 WeakPolarHBondContact O-CA 3.4Å; V588-H662 PolarHBondContact N-O 2.95Å; V588-H662 PolarHBondContact O-N 2.98Å; V588-C687 HydrophobicContact CG1-CB 4.48Å; V588-F689 HydrophobicContact CG2-CB 4.1Å |
| 589 | Q | 94.3 | Very high | 91.4 | Very high | 102 Ų | 102 | 31 Ų | 31 | 48% | 0.477 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 100.3 | 174.3 | -65.4 | -176.5 | -7.4 | 0 | 0 | 110 | C687 K688 | Q589-C687 WeakPolarHBondContact O-CB 3.28Å; Q589-K688 HydrophobicContact CB-CB 4.46Å; Q589-K688 PolarHBondContact N-O 2.87Å |
| 590 | C | 92.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.3 | -178.5 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | V588 L656 S658 A659 G660 | V588-C590 PolarHBondContact O-N 3.15Å; C590-L656 HydrophobicContact CB-CB 4.3Å; C590-L656 HydrophobicContact CB-CD1 4.02Å; C590-L656 VanDerWaalsContact SG-CB 3.56Å; C590-S658 WeakPolarHBondContact CB-O 3.23Å; C590-S658 PolarHBondContact SG-O 3.37Å; C590-A659 WeakPolarHBondContact O-CA 3.11Å; C590-G660 WeakPolarHBondContact CB-O 3.14Å; C590-G660 PolarHBondContact N-O 3.47Å; C590-G660 PolarHBondContact O-N 3.3Å |
| 591 | P | 91.4 | Very high | 92.8 | Very high | 63 Ų | 63 | 29.5 Ų | 29.5 | 41% | 0.409 | 20% | 0.197 | S | C | . | . | trans | -75.1 | 168.4 | 174 | 32.9 | -34.3 | 0 | 0 | 0 | 111.6 | G593 G594 C687 | P591-G593 PolarHBondContact O-N 3.04Å; P591-G593 VanDerWaalsContact O-N 3.12Å; P591-G594 WeakPolarHBondContact CG-O 3.32Å; P591-G594 PolarHBondContact O-N 3.04Å; P591-C687 WeakPolarHBondContact CD-SG 3.16Å | ||
| 592 | A | 86.1 | Confident | 93.2 | Very high | 94 Ų | 94 | 29.4 Ų | 29.4 | 78% | 0.777 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G594 | A592-G594 VanDerWaalsContact C-N 3.28Å; A592-G594 PolarHBondContact O-N 3.16Å |
| 593 | G | 83.8 | Confident | 93.4 | Very high | 84 Ų | 84 | 29.2 Ų | 29.2 | 87% | 0.866 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | 2.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P591 | P591-G593 PolarHBondContact O-N 3.04Å; P591-G593 VanDerWaalsContact O-N 3.12Å |
| 594 | G | 89.9 | Confident | 93.3 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 21% | 0.206 | 20% | 0.195 | C | C | . | . | trans | 82 | 171.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P591 A592 L656 | P591-G594 WeakPolarHBondContact CG-O 3.32Å; P591-G594 PolarHBondContact O-N 3.04Å; A592-G594 VanDerWaalsContact C-N 3.28Å; A592-G594 PolarHBondContact O-N 3.16Å; G594-L656 CarbonylContact C-O 3.26Å; G594-L656 WeakPolarHBondContact CA-O 3.39Å | ||
| 595 | A | 89.9 | Confident | 93 | Very high | 14 Ų | 14 | 30 Ų | 30 | 12% | 0.116 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 152.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L656 | A595-L656 HydrophobicContact CB-CB 4.32Å; A595-L656 HydrophobicContact CB-CD1 4.3Å; A595-L656 PolarHBondContact N-O 3.13Å; A595-L656 PolarHBondContact O-N 3.14Å |
| 596 | A | 93 | Very high | 92.6 | Very high | 47 Ų | 47 | 29.2 Ų | 29.2 | 39% | 0.388 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | T685 | A596-T685 PolarHBondContact O-OG1 2.83Å |
| 597 | V | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.1 | 177 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | L586 V588 I654 L656 V683 | L586-V597 HydrophobicContact CD2-CG1 4Å; V588-V597 HydrophobicContact CB-CG2 4.41Å; V588-V597 HydrophobicContact CG1-CG2 3.79Å; V588-V597 HydrophobicContact CG2-CG1 4.41Å; V588-V597 HydrophobicContact CG2-CG2 4.02Å; V597-I654 HydrophobicContact CB-CB 4.24Å; V597-I654 PolarHBondContact N-O 3.22Å; V597-I654 PolarHBondContact O-N 2.82Å; V597-L656 HydrophobicContact CG2-CD1 4.11Å; V597-V683 HydrophobicContact CG1-CG1 3.92Å |
| 598 | W | 97.1 | Very high | 91.4 | Very high | 30 Ų | 30 | 33.3 Ų | 33.3 | 11% | 0.114 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.2 | -178.7 | -68.1 | 12 | 0 | 0 | 0 | 108.9 | I412 W547 F552 L651 T652 K653 V683 Y684 | I412-W598 HydrophobicContact CD1-CE3 4.15Å; I412-W598 HydrophobicContact CD1-CZ3 4.45Å; I412-W598 HydrophobicContact CG2-CE3 4.24Å; W547-W598 HydrophobicContact CB-CH2 4.33Å; W547-W598 HydrophobicContact CB-CZ3 3.79Å; W547-W598 AromaticContact CD1-CH2 3.96Å; W547-W598 AromaticContact CD1-CZ3 3.64Å; W547-W598 AromaticContact CD2-CH2 3.66Å; W547-W598 HydrophobicContact CD2-CH2 3.66Å; W547-W598 AromaticContact CD2-CZ3 3.98Å; W547-W598 HydrophobicContact CD2-CZ3 3.98Å; W547-W598 AromaticContact CE2-CH2 3.83Å; W547-W598 HydrophobicContact CE3-CH2 4.15Å; W547-W598 AromaticContact CG-CH2 3.74Å; W547-W598 HydrophobicContact CG-CH2 3.74Å; W547-W598 AromaticContact CG-CZ3 3.52Å; W547-W598 HydrophobicContact CG-CZ3 3.52Å; W547-W598 HydrophobicContact CZ2-CH2 4.42Å; F552-W598 HydrophobicContact CE1-CD2 4.32Å; F552-W598 HydrophobicContact CE1-CG 4.33Å; F552-W598 AromaticContact CE2-CD2 4Å; F552-W598 HydrophobicContact CE2-CD2 4Å; F552-W598 AromaticContact CE2-CE3 3.62Å; F552-W598 HydrophobicContact CE2-CE3 3.62Å; F552-W598 AromaticContact CE2-CZ3 3.93Å; F552-W598 HydrophobicContact CE2-CZ3 3.93Å; F552-W598 HydrophobicContact CZ-CB 4.35Å; F552-W598 AromaticContact CZ-CD2 3.38Å; F552-W598 HydrophobicContact CZ-CD2 3.38Å; F552-W598 AromaticContact CZ-CE2 3.7Å; F552-W598 AromaticContact CZ-CE3 3.51Å; F552-W598 HydrophobicContact CZ-CE3 3.51Å; F552-W598 AromaticContact CZ-CG 3.78Å; F552-W598 HydrophobicContact CZ-CG 3.78Å; F552-W598 HydrophobicContact CZ-CH2 4.22Å; F552-W598 HydrophobicContact CZ-CZ2 4.12Å; F552-W598 AromaticContact CZ-CZ3 3.93Å; F552-W598 HydrophobicContact CZ-CZ3 3.93Å; W598-L651 HydrophobicContact CB-CD1 4.16Å; W598-L651 HydrophobicContact CE3-CD2 4.16Å; W598-T652 CarbonylContact C-O 3.48Å; W598-T652 WeakPolarHBondContact CA-O 3.31Å; W598-K653 HydrophobicContact CD2-CD 4.41Å; W598-K653 HydrophobicContact CD2-CG 4.18Å; W598-K653 HydrophobicContact CG-CG 4.06Å; W598-K653 HydrophobicContact CZ2-CD 4.13Å; W598-V683 CarbonylContact O-C 3.57Å; W598-V683 WeakPolarHBondContact O-CA 3.42Å; W598-Y684 PolarHBondContact N-O 3.14Å; W598-Y684 PolarHBondContact O-N 3.42Å |
| 599 | V | 97.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 114 | 178.6 | -169.6 | 0 | 0 | 0 | 0 | 108.3 | L586 L620 T652 I654 L666 L681 R682 V683 | L586-V599 HydrophobicContact CD2-CG2 4.14Å; V599-L620 HydrophobicContact CB-CD2 3.86Å; V599-L620 HydrophobicContact CG1-CD2 3.57Å; V599-T652 PolarHBondContact N-O 2.99Å; V599-T652 PolarHBondContact O-N 3.44Å; V599-I654 HydrophobicContact CG2-CD1 4.49Å; V599-L666 HydrophobicContact CG1-CD1 4.16Å; V599-L666 HydrophobicContact CG2-CD1 4.32Å; V599-L681 HydrophobicContact CG1-CD1 3.44Å; V599-L681 VanDerWaalsContact CG1-CD1 3.44Å; V599-L681 HydrophobicContact CG1-CG 3.91Å; V599-R682 CarbonylContact C-O 3.56Å; V599-R682 WeakPolarHBondContact CA-O 3.24Å; V599-V683 HydrophobicContact CG1-CG2 4.27Å; V599-V683 HydrophobicContact CG2-CG2 4.26Å |
| 600 | L | 96.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 117.3 | 177.9 | 179.8 | 66.2 | 0 | 0 | 0 | 109.4 | I412 P413 H649 L651 R682 Y684 | I412-L600 HydrophobicContact CG2-CD2 4.44Å; P413-L600 HydrophobicContact CG-CD1 3.92Å; L600-H649 HydrophobicContact CD1-CB 4.33Å; L600-L651 HydrophobicContact CB-CD1 4.16Å; L600-L651 HydrophobicContact CD1-CB 4.39Å; L600-L651 HydrophobicContact CD1-CD1 4.34Å; L600-R682 PolarHBondContact N-O 2.65Å; L600-R682 PolarHBondContact O-N 2.8Å; L600-Y684 HydrophobicContact CB-CE2 3.99Å; L600-Y684 HydrophobicContact CD2-CE2 4.38Å |
| 601 | L | 95.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122.7 | 168.2 | 176.1 | 62 | 0 | 0 | 0 | 108.8 | I618 L620 H649 Y650 V668 Y679 L681 | L601-I618 HydrophobicContact CD1-CD1 4.16Å; L601-I618 HydrophobicContact CD2-CD1 3.85Å; L601-I618 HydrophobicContact CD2-CG1 3.88Å; L601-I618 HydrophobicContact CD2-CG2 4.29Å; L601-I618 HydrophobicContact CG-CD1 4.21Å; L601-L620 HydrophobicContact CD2-CB 4.35Å; L601-H649 WeakPolarHBondContact O-CA 3.32Å; L601-Y650 PolarHBondContact N-O 3.4Å; L601-Y650 PolarHBondContact O-N 3.46Å; L601-V668 HydrophobicContact CD1-CG1 4.19Å; L601-V668 HydrophobicContact CD1-CG2 4.34Å; L601-V668 HydrophobicContact CD2-CG1 4.23Å; L601-Y679 HydrophobicContact CD1-CD2 3.55Å; L601-Y679 HydrophobicContact CD1-CE2 4.32Å; L601-Y679 HydrophobicContact CD1-CG 3.89Å; L601-L681 HydrophobicContact CB-CD1 4.04Å; L601-L681 HydrophobicContact CD1-CD1 4.17Å |
| 602 | T | 94.5 | Very high | 87.4 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 109.3 | 178.2 | -66.1 | 0 | 0 | 0 | 0 | 109.8 | P648 H649 Y679 T680 | T602-P648 CarbonylContact C-O 3.55Å; T602-P648 WeakPolarHBondContact CA-O 3.45Å; T602-H649 VanDerWaalsContact CG2-CE1 3.44Å; T602-H649 WeakPolarHBondContact CG2-CE1 3.29Å; T602-H649 PolarHBondContact OG1-ND1 3.27Å; T602-H649 VanDerWaalsContact OG1-ND1 3.1Å; T602-Y679 CarbonylContact O-C 3.55Å; T602-Y679 WeakPolarHBondContact O-CA 3.18Å; T602-Y679 WeakPolarHBondContact O-CB 3.42Å; T602-T680 PolarHBondContact N-O 2.91Å; T602-T680 PolarHBondContact O-N 2.93Å |
| 603 | R | 92 | Very high | 86.4 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 139 | 169.4 | -175.9 | 163.9 | 70.7 | 84.3 | 11.5 | 109.9 | D610 E616 I618 P648 I677 | R603-D610 IonicContact CZ-OD1 2.73Å; R603-D610 IonicContact CZ-OD2 2.69Å; R603-D610 IonicContact NH1-OD1 3.14Å; R603-D610 PolarHBondContact NH1-OD1 3.14Å; R603-D610 IonicContact NH1-OD2 3.71Å; R603-D610 PolarHBondContact NH1-OD2 2.83Å; R603-D610 IonicContact NH2-OD1 3.77Å; R603-D610 IonicContact NH2-OD2 3.92Å; R603-D610 PolarHBondContact NH2-OD2 3.18Å; R603-E616 IonicContact CZ-OE2 3.35Å; R603-E616 IonicContact NH1-OE2 3.56Å; R603-E616 PolarHBondContact NH1-OE2 3.03Å; R603-I618 HydrophobicContact CB-CG2 4.43Å; R603-P648 PolarHBondContact N-O 3.46Å; R603-I677 HydrophobicContact CB-CG2 4.47Å; R603-I677 HydrophobicContact CG-CG2 3.48Å; R603-I677 VanDerWaalsContact CG-CG2 3.48Å |
| 604 | H | 91.9 | Very high | 85.6 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | trans | -86.2 | 131.7 | 176.2 | -65.6 | -174.8 | 0 | 0 | 0 | 109.7 | T223 N347 N678 Y679 T680 | T223-H604 HydrophobicContact CG2-CB 3.76Å; T223-H604 WeakPolarHBondContact CG2-ND1 3.49Å; T223-H604 PolarHBondContact OG1-ND1 3.13Å; N347-H604 HydrophobicContact CB-CB 4.02Å; N347-H604 PolarHBondContact O-NE2 2.79Å; N347-H604 VanDerWaalsContact OD1-CA 3.24Å; N347-H604 WeakPolarHBondContact OD1-CA 3.46Å; H604-N678 HydrophobicContact CB-CB 3.86Å; H604-N678 WeakPolarHBondContact CB-O 3.45Å; H604-N678 PolarHBondContact N-O 2.9Å; H604-Y679 VanDerWaalsContact NE2-C 3.32Å; H604-T680 PolarHBondContact NE2-N 2.93Å; H604-T680 PolarHBondContact NE2-OG1 3.34Å | ||
| 605 | I | 88.8 | Confident | 84.6 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | trans | -107.3 | 131 | 179.6 | -49.5 | 169.1 | 0 | 0 | 0 | 108.1 | N347 D610 F611 P648 | N347-I605 PolarHBondContact ND2-O 2.79Å; N347-I605 PolarHBondContact OD1-N 3.45Å; N347-I605 PolarHBondContact OD1-O 3.15Å; I605-D610 HydrophobicContact CG2-CB 4.21Å; I605-F611 HydrophobicContact CD1-CE1 3.93Å; I605-F611 HydrophobicContact CD1-CE2 3.94Å; I605-F611 HydrophobicContact CD1-CZ 3.32Å; I605-F611 HydrophobicContact CG2-CD2 4.28Å; I605-F611 HydrophobicContact CG2-CE2 3.6Å; I605-F611 HydrophobicContact CG2-CZ 4.15Å; I605-P648 HydrophobicContact CD1-CB 3.83Å; I605-P648 HydrophobicContact CD1-CG 3.34Å; I605-P648 HydrophobicContact CG1-CB 4.29Å; I605-P648 HydrophobicContact CG1-CG 4.13Å | ||
| 606 | T | 88.9 | Confident | 84 | Confident | 61 Ų | 61 | 42.7 Ų | 42.7 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | trans | -125.8 | -10 | -178.9 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | T223 I226 N227 | T223-T606 HydrophobicContact CG2-CG2 4.16Å; I226-T606 CarbonylContact C-O 3.6Å; I226-T606 WeakPolarHBondContact CA-O 3.31Å; N227-T606 PolarHBondContact N-O 2.76Å | ||
| 607 | D | 84.9 | Confident | 83.5 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 40% | 0.401 | 22% | 0.216 | S | C | . | . | trans | -138.9 | 139.5 | -176.9 | -160.5 | -52.5 | 0 | 0 | 0 | 110.4 | D609 D610 | D607-D609 VanDerWaalsContact C-N 3.25Å; D607-D609 PolarHBondContact O-N 3.38Å; D607-D609 WeakPolarHBondContact OD1-CB 3.36Å; D607-D609 PolarHBondContact OD1-N 2.92Å; D607-D610 WeakPolarHBondContact O-CB 3.41Å; D607-D610 PolarHBondContact O-N 3.4Å | ||
| 608 | K | 82 | Confident | 83.1 | Confident | 62 Ų | 62 | 43.7 Ų | 43.7 | 27% | 0.27 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -30.1 | 175.7 | 73.9 | 176.3 | -168.6 | 173.2 | 0 | 112.6 | N227 M391 D395 D610 F611 | N227-K608 WeakPolarHBondContact OD1-CB 3.25Å; N227-K608 PolarHBondContact OD1-N 3.44Å; M391-K608 WeakPolarHBondContact O-CB 3.28Å; D395-K608 IonicContact OD1-NZ 3.67Å; D395-K608 IonicContact OD2-NZ 3.76Å; D395-K608 PolarHBondContact OD2-NZ 3.15Å; K608-D610 PolarHBondContact O-N 2.82Å; K608-F611 PolarHBondContact O-N 3.2Å; K608-F611 VanDerWaalsContact O-N 3.11Å |
| 609 | D | 79.2 | Confident | 82.8 | Confident | 77 Ų | 77 | 42.2 Ų | 42.2 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.2 | -20.1 | -178.9 | -74.7 | -12.1 | 0 | 0 | 0 | 112.1 | D607 F611 A612 Q613 | D607-D609 VanDerWaalsContact C-N 3.25Å; D607-D609 PolarHBondContact O-N 3.38Å; D607-D609 WeakPolarHBondContact OD1-CB 3.36Å; D607-D609 PolarHBondContact OD1-N 2.92Å; D609-F611 VanDerWaalsContact C-N 3.26Å; D609-F611 PolarHBondContact O-N 2.82Å; D609-A612 PolarHBondContact O-N 3.29Å; D609-A612 VanDerWaalsContact O-N 3.14Å; D609-Q613 PolarHBondContact O-N 3.11Å |
| 610 | D | 73.7 | Confident | 82.6 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.7 | -38.6 | 172.8 | -172.5 | 67.8 | 0 | 0 | 0 | 111.9 | R603 I605 D607 K608 N614 | R603-D610 IonicContact CZ-OD1 2.73Å; R603-D610 IonicContact CZ-OD2 2.69Å; R603-D610 IonicContact NH1-OD1 3.14Å; R603-D610 PolarHBondContact NH1-OD1 3.14Å; R603-D610 IonicContact NH1-OD2 3.71Å; R603-D610 PolarHBondContact NH1-OD2 2.83Å; R603-D610 IonicContact NH2-OD1 3.77Å; R603-D610 IonicContact NH2-OD2 3.92Å; R603-D610 PolarHBondContact NH2-OD2 3.18Å; I605-D610 HydrophobicContact CG2-CB 4.21Å; D607-D610 WeakPolarHBondContact O-CB 3.41Å; D607-D610 PolarHBondContact O-N 3.4Å; K608-D610 PolarHBondContact O-N 2.82Å; D610-N614 VanDerWaalsContact O-CA 3.22Å; D610-N614 WeakPolarHBondContact O-CA 3.41Å; D610-N614 PolarHBondContact O-N 3.3Å |
| 611 | F | 70.2 | Confident | 82.5 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 15% | 0.145 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.6 | -33.8 | 175 | -65.2 | -88.4 | 0 | 0 | 0 | 112.5 | M391 F396 I403 I605 K608 D609 | M391-F611 HydrophobicContact CE-CZ 4.17Å; M391-F611 HydrophobicContact SD-CE2 3.76Å; M391-F611 HydrophobicContact SD-CZ 3.76Å; F396-F611 HydrophobicContact CE2-CB 3.99Å; F396-F611 HydrophobicContact CE2-CD1 4.11Å; F396-F611 AromaticContact CE2-CD2 3.69Å; F396-F611 HydrophobicContact CE2-CD2 3.69Å; F396-F611 HydrophobicContact CE2-CE1 4.46Å; F396-F611 HydrophobicContact CE2-CE2 4.05Å; F396-F611 AromaticContact CE2-CG 3.68Å; F396-F611 HydrophobicContact CE2-CG 3.68Å; F396-F611 HydrophobicContact CE2-CZ 4.42Å; F396-F611 HydrophobicContact CZ-CD1 4.02Å; F396-F611 HydrophobicContact CZ-CD2 4.35Å; F396-F611 HydrophobicContact CZ-CE1 4.19Å; F396-F611 HydrophobicContact CZ-CE2 4.48Å; F396-F611 HydrophobicContact CZ-CG 4.09Å; F396-F611 HydrophobicContact CZ-CZ 4.4Å; I403-F611 HydrophobicContact CD1-CE1 4.14Å; I605-F611 HydrophobicContact CD1-CE1 3.93Å; I605-F611 HydrophobicContact CD1-CE2 3.94Å; I605-F611 HydrophobicContact CD1-CZ 3.32Å; I605-F611 HydrophobicContact CG2-CD2 4.28Å; I605-F611 HydrophobicContact CG2-CE2 3.6Å; I605-F611 HydrophobicContact CG2-CZ 4.15Å; K608-F611 PolarHBondContact O-N 3.2Å; K608-F611 VanDerWaalsContact O-N 3.11Å; D609-F611 VanDerWaalsContact C-N 3.26Å; D609-F611 PolarHBondContact O-N 2.82Å |
| 612 | A | 64.1 | Low | 82.5 | Confident | 66 Ų | 66 | 42.2 Ų | 42.2 | 55% | 0.545 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -75.8 | -38.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D609 | D609-A612 PolarHBondContact O-N 3.29Å; D609-A612 VanDerWaalsContact O-N 3.14Å |
| 613 | Q | 65.9 | Low | 82.6 | Confident | 104 Ų | 104 | 42.2 Ų | 42.2 | 49% | 0.486 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -100 | -29 | -175.1 | -57.8 | -175.9 | 23.6 | 0 | 0 | 112.9 | D609 R615 | D609-Q613 PolarHBondContact O-N 3.11Å; Q613-R615 VanDerWaalsContact C-N 3.31Å; Q613-R615 HydrophobicContact CB-CG 4.15Å; Q613-R615 VanDerWaalsContact O-CG 3.25Å; Q613-R615 WeakPolarHBondContact O-CG 3.22Å; Q613-R615 PolarHBondContact O-N 3.1Å; Q613-R615 VanDerWaalsContact O-N 3.15Å |
| 614 | N | 66.4 | Low | 82.6 | Confident | 57 Ų | 57 | 47.4 Ų | 47.4 | 31% | 0.305 | 23% | 0.233 | S | C | . | . | trans | 46.8 | 44.4 | 169 | -145.8 | 4.5 | 0 | 0 | 0 | 115.3 | D610 N646 | D610-N614 VanDerWaalsContact O-CA 3.22Å; D610-N614 WeakPolarHBondContact O-CA 3.41Å; D610-N614 PolarHBondContact O-N 3.3Å; N614-N646 VanDerWaalsContact CG-ND2 3.27Å; N614-N646 PolarHBondContact ND2-ND2 2.9Å; N614-N646 VanDerWaalsContact OD1-CB 3.27Å; N614-N646 WeakPolarHBondContact OD1-CB 2.99Å; N614-N646 PolarHBondContact OD1-O 3.28Å; N614-N646 VanDerWaalsContact OD1-O 3.07Å | ||
| 615 | R | 69.9 | Low | 82.5 | Confident | 188 Ų | 188 | 48.1 Ų | 48.1 | 71% | 0.709 | 24% | 0.238 | S | C | * | . | trans | -90.1 | -14.4 | -171.1 | -59.8 | -174.4 | 178.4 | 170.9 | 1.8 | 114.3 | Q613 F617 | Q613-R615 VanDerWaalsContact C-N 3.31Å; Q613-R615 HydrophobicContact CB-CG 4.15Å; Q613-R615 VanDerWaalsContact O-CG 3.25Å; Q613-R615 WeakPolarHBondContact O-CG 3.22Å; Q613-R615 PolarHBondContact O-N 3.1Å; Q613-R615 VanDerWaalsContact O-N 3.15Å; R615-F617 WeakPolarHBondContact O-CD2 3.21Å | ||
| 616 | E | 76.4 | Confident | 82.4 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | trans | -95.4 | 115 | -173.6 | -64.2 | -167.1 | 158.1 | 0 | 0 | 111.4 | R603 N646 N675 I677 | R603-E616 IonicContact CZ-OE2 3.35Å; R603-E616 IonicContact NH1-OE2 3.56Å; R603-E616 PolarHBondContact NH1-OE2 3.03Å; E616-N646 WeakPolarHBondContact O-CA 3.48Å; E616-N675 WeakPolarHBondContact OE1-CB 3.29Å; E616-N675 PolarHBondContact OE1-ND2 2.89Å; E616-I677 HydrophobicContact CB-CD1 3.93Å; E616-I677 HydrophobicContact CG-CD1 4.3Å | ||
| 617 | F | 82.8 | Confident | 82.1 | Confident | 66 Ų | 66 | 52 Ų | 52 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | trans | -107.6 | 126 | 176.8 | -64.6 | -101.5 | 0 | 0 | 0 | 110.4 | R615 R644 I645 N646 Q670 Y671 | R615-F617 WeakPolarHBondContact O-CD2 3.21Å; F617-R644 HydrophobicContact CB-CB 4.3Å; F617-I645 WeakPolarHBondContact CA-O 3.3Å; F617-N646 HydrophobicContact CD1-CB 3.9Å; F617-N646 HydrophobicContact CE1-CB 3.74Å; F617-N646 HydrophobicContact CE2-CB 4.44Å; F617-N646 HydrophobicContact CG-CB 4.32Å; F617-N646 HydrophobicContact CZ-CB 4.02Å; F617-Q670 WeakPolarHBondContact O-CA 3.34Å; F617-Q670 WeakPolarHBondContact O-CG 3.31Å; F617-Y671 PolarHBondContact O-N 3.46Å | ||
| 618 | I | 86.4 | Confident | 82.3 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 152.7 | 179.7 | -158.3 | -178.9 | 0 | 0 | 0 | 110.3 | L601 R603 I645 V668 S669 I677 | L601-I618 HydrophobicContact CD1-CD1 4.16Å; L601-I618 HydrophobicContact CD2-CD1 3.85Å; L601-I618 HydrophobicContact CD2-CG1 3.88Å; L601-I618 HydrophobicContact CD2-CG2 4.29Å; L601-I618 HydrophobicContact CG-CD1 4.21Å; R603-I618 HydrophobicContact CB-CG2 4.43Å; I618-I645 PolarHBondContact N-O 2.84Å; I618-I645 PolarHBondContact O-N 2.92Å; I618-V668 HydrophobicContact CD1-CG1 3.89Å; I618-V668 HydrophobicContact CG1-CG1 4.16Å; I618-S669 CarbonylContact C-O 3.58Å; I618-S669 WeakPolarHBondContact CA-O 3.49Å; I618-S669 WeakPolarHBondContact CG1-O 3.3Å; I618-I677 HydrophobicContact CD1-CG2 4.08Å |
| 619 | T | 91.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 170.1 | 174.1 | -158.6 | 0 | 0 | 0 | 0 | 112.2 | V621 G642 I643 R644 S669 | T619-V621 HydrophobicContact CG2-CG2 4.16Å; T619-G642 VanDerWaalsContact OG1-CA 3.24Å; T619-G642 WeakPolarHBondContact OG1-CA 3.41Å; T619-G642 PolarHBondContact OG1-O 3.14Å; T619-I643 WeakPolarHBondContact CB-O 3.4Å; T619-I643 PolarHBondContact OG1-O 2.95Å; T619-R644 HydrophobicContact CG2-CG 3.62Å; T619-S669 PolarHBondContact N-O 3.37Å; T619-S669 PolarHBondContact O-N 3.5Å |
| 620 | L | 93.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.3 | 172.1 | -167.9 | 74.7 | 0 | 0 | 0 | 109.5 | V599 L601 G642 Y650 L666 V668 L681 | V599-L620 HydrophobicContact CB-CD2 3.86Å; V599-L620 HydrophobicContact CG1-CD2 3.57Å; L601-L620 HydrophobicContact CD2-CB 4.35Å; L620-G642 WeakPolarHBondContact O-CA 3.29Å; L620-G642 PolarHBondContact O-N 2.59Å; L620-Y650 HydrophobicContact CB-CD1 3.98Å; L620-Y650 HydrophobicContact CB-CE1 4.04Å; L620-L666 HydrophobicContact CD1-CB 4.14Å; L620-V668 HydrophobicContact CD1-CG2 3.84Å; L620-L681 HydrophobicContact CD1-CD1 3.92Å; L620-L681 HydrophobicContact CD1-CD2 4.19Å; L620-L681 HydrophobicContact CD2-CD1 4.18Å |
| 621 | V | 94.6 | Very high | 84 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 134.3 | 174.2 | -169.8 | 0 | 0 | 0 | 0 | 108.6 | T619 Y623 P638 I640 V667 | T619-V621 HydrophobicContact CG2-CG2 4.16Å; V621-Y623 HydrophobicContact CB-CE2 3.92Å; V621-Y623 HydrophobicContact CG1-CD2 4.1Å; V621-Y623 HydrophobicContact CG1-CE2 3.33Å; V621-P638 HydrophobicContact CG1-CB 3.63Å; V621-I640 WeakPolarHBondContact CA-O 3.48Å; V621-V667 HydrophobicContact CB-CB 4.48Å; V621-V667 PolarHBondContact N-O 3.09Å; V621-V667 PolarHBondContact O-N 3.14Å |
| 622 | V | 96.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.7 | -177.4 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | Y639 I640 T652 I654 F664 L666 | V622-Y639 HydrophobicContact CG1-CD1 4.14Å; V622-Y639 WeakPolarHBondContact O-CA 3.1Å; V622-Y639 WeakPolarHBondContact O-CB 3.46Å; V622-Y639 PolarHBondContact O-N 3.39Å; V622-I640 HydrophobicContact CB-CB 3.98Å; V622-I640 HydrophobicContact CB-CG1 4.37Å; V622-I640 HydrophobicContact CG2-CB 4.11Å; V622-I640 HydrophobicContact CG2-CD1 4.41Å; V622-I640 PolarHBondContact N-O 3.41Å; V622-I640 PolarHBondContact O-N 2.51Å; V622-I640 VanDerWaalsContact O-N 3.1Å; V622-T652 HydrophobicContact CG2-CG2 3.88Å; V622-I654 HydrophobicContact CG1-CD1 4.1Å; V622-I654 HydrophobicContact CG2-CD1 4.4Å; V622-F664 HydrophobicContact CG1-CB 4.11Å; V622-F664 HydrophobicContact CG1-CD1 3.76Å; V622-F664 HydrophobicContact CG1-CG 4.19Å; V622-L666 HydrophobicContact CB-CD2 4.39Å; V622-L666 HydrophobicContact CG1-CD2 3.98Å; V622-L666 HydrophobicContact CG2-CD2 3.87Å |
| 623 | Y | 95.8 | Very high | 86.1 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.02 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 155.5 | 176.1 | -65.1 | -93.8 | 0 | 0 | 0 | 111.3 | L578 V621 V630 P633 P636 P638 F664 T665 V667 | L578-Y623 HydrophobicContact CD1-CE2 4.03Å; L578-Y623 VanDerWaalsContact CD1-OH 3.25Å; L578-Y623 WeakPolarHBondContact CD1-OH 3.41Å; V621-Y623 HydrophobicContact CB-CE2 3.92Å; V621-Y623 HydrophobicContact CG1-CD2 4.1Å; V621-Y623 HydrophobicContact CG1-CE2 3.33Å; Y623-V630 HydrophobicContact CD1-CG1 4.18Å; Y623-V630 HydrophobicContact CD1-CG2 4.3Å; Y623-V630 HydrophobicContact CD2-CB 4.45Å; Y623-V630 HydrophobicContact CD2-CG1 4.25Å; Y623-V630 HydrophobicContact CD2-CG2 3.9Å; Y623-V630 HydrophobicContact CE1-CG1 4.01Å; Y623-V630 HydrophobicContact CE2-CG1 4.07Å; Y623-V630 HydrophobicContact CG-CG1 4.3Å; Y623-V630 HydrophobicContact CG-CG2 3.78Å; Y623-P633 PolarHBondContact OH-O 3.08Å; Y623-P636 HydrophobicContact CD1-CG 4.39Å; Y623-P636 VanDerWaalsContact CE1-O 3.25Å; Y623-P636 WeakPolarHBondContact CE1-O 3.06Å; Y623-P638 HydrophobicContact CD1-CB 4.4Å; Y623-P638 HydrophobicContact CE1-CB 3.89Å; Y623-F664 WeakPolarHBondContact O-CA 3.36Å; Y623-T665 PolarHBondContact N-O 2.76Å; Y623-T665 PolarHBondContact O-N 2.86Å; Y623-V667 HydrophobicContact CD2-CG2 3.86Å; Y623-V667 HydrophobicContact CE2-CB 4.35Å; Y623-V667 HydrophobicContact CE2-CG2 3.86Å |
| 624 | K | 92.9 | Very high | 87.1 | Confident | 112 Ų | 112 | 46.6 Ų | 46.6 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | trans | -106.4 | 70.8 | 171.1 | -72.8 | -175.7 | 175 | -177.5 | 0 | 110.3 | Y639 F664 | K624-Y639 HydrophobicContact CD-CD2 4.01Å; K624-Y639 HydrophobicContact CD-CE2 4.39Å; K624-Y639 HydrophobicContact CD-CG 4.16Å; K624-Y639 VanDerWaalsContact CE-CE2 3.49Å; K624-Y639 HydrophobicContact CG-CD1 4.44Å; K624-Y639 HydrophobicContact CG-CD2 4.42Å; K624-Y639 HydrophobicContact CG-CG 4.07Å; K624-F664 HydrophobicContact CD-CE1 4.35Å; K624-F664 HydrophobicContact CG-CD1 3.94Å; K624-F664 HydrophobicContact CG-CE1 3.84Å | ||
| 625 | T | 88.2 | Confident | 88 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -110.5 | 24.5 | 179.3 | 51 | 0 | 0 | 0 | 0 | 112.8 | G627 K628 V630 P636 T665 | T625-G627 PolarHBondContact O-N 2.95Å; T625-K628 VanDerWaalsContact O-CB 3.26Å; T625-K628 WeakPolarHBondContact O-CB 3.27Å; T625-K628 WeakPolarHBondContact O-CG 3.25Å; T625-K628 PolarHBondContact O-N 3.21Å; T625-K628 PolarHBondContact OG1-O 3.34Å; T625-V630 HydrophobicContact CG2-CG2 3.99Å; T625-P636 HydrophobicContact CG2-CG 3.43Å; T625-P636 VanDerWaalsContact CG2-CG 3.43Å; T625-T665 WeakPolarHBondContact OG1-CB 3.26Å; T625-T665 PolarHBondContact OG1-OG1 2.87Å |
| 626 | E | 87.4 | Confident | 88.9 | Confident | 150 Ų | 150 | 40.9 Ų | 40.9 | 70% | 0.701 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 24.7 | -178.7 | -55.8 | -176.5 | 164.8 | 0 | 0 | 113.9 | K628 T663 | E626-K628 VanDerWaalsContact C-N 3.34Å; E626-T663 WeakPolarHBondContact O-CG2 3.46Å |
| 627 | G | 82.4 | Confident | 89.7 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 5.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T625 T665 I694 | T625-G627 PolarHBondContact O-N 2.95Å; G627-T665 VanDerWaalsContact CA-OG1 3.24Å; G627-T665 WeakPolarHBondContact CA-OG1 3.33Å; G627-I694 WeakPolarHBondContact O-CD1 3.49Å |
| 628 | K | 88.4 | Confident | 90.2 | Very high | 132 Ų | 132 | 43 Ų | 43 | 57% | 0.574 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -73.6 | 150.4 | 171.1 | -62.1 | -175.7 | 179 | -171.7 | 0 | 110.7 | T625 E626 T665 | T625-K628 VanDerWaalsContact O-CB 3.26Å; T625-K628 WeakPolarHBondContact O-CB 3.27Å; T625-K628 WeakPolarHBondContact O-CG 3.25Å; T625-K628 PolarHBondContact O-N 3.21Å; T625-K628 PolarHBondContact OG1-O 3.34Å; E626-K628 VanDerWaalsContact C-N 3.34Å; K628-T665 PolarHBondContact O-OG1 3.15Å |
| 629 | K | 90.1 | Very high | 90.6 | Very high | 65 Ų | 65 | 47.5 Ų | 47.5 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 136.6 | 178.9 | -166.5 | 175 | -179 | -175 | 0 | 110.4 | A579 Y631 | A579-K629 WeakPolarHBondContact O-CE 3.42Å; A579-K629 PolarHBondContact O-NZ 3.47Å; K629-Y631 HydrophobicContact CB-CE2 3.98Å; K629-Y631 HydrophobicContact CD-CE2 4.26Å; K629-Y631 HydrophobicContact CG-CE2 4.14Å |
| 630 | V | 91.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -98.5 | 122.5 | 179 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | L578 Q583 Y623 T625 Y632 T665 V667 | L578-V630 HydrophobicContact CD1-CG1 4.11Å; Q583-V630 PolarHBondContact NE2-O 2.71Å; Y623-V630 HydrophobicContact CD1-CG1 4.18Å; Y623-V630 HydrophobicContact CD1-CG2 4.3Å; Y623-V630 HydrophobicContact CD2-CB 4.45Å; Y623-V630 HydrophobicContact CD2-CG1 4.25Å; Y623-V630 HydrophobicContact CD2-CG2 3.9Å; Y623-V630 HydrophobicContact CE1-CG1 4.01Å; Y623-V630 HydrophobicContact CE2-CG1 4.07Å; Y623-V630 HydrophobicContact CG-CG1 4.3Å; Y623-V630 HydrophobicContact CG-CG2 3.78Å; T625-V630 HydrophobicContact CG2-CG2 3.99Å; V630-Y632 WeakPolarHBondContact CG1-O 2.9Å; V630-T665 HydrophobicContact CG2-CG2 3.88Å; V630-V667 HydrophobicContact CB-CG2 4.38Å |
| 631 | Y | 89.4 | Confident | 90.6 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | trans | -100.9 | -38.9 | -179 | -71.3 | -96.2 | 0 | 0 | 0 | 112.1 | T577 L578 A579 K629 L740 E742 F781 Y783 | T577-Y631 CarbonylContact C-O 3.49Å; T577-Y631 VanDerWaalsContact CA-O 3.27Å; T577-Y631 WeakPolarHBondContact CA-O 3.44Å; T577-Y631 PolarHBondContact OG1-O 3.25Å; L578-Y631 PolarHBondContact N-O 3.08Å; A579-Y631 HydrophobicContact CB-CD1 3.55Å; A579-Y631 HydrophobicContact CB-CE1 3.98Å; A579-Y631 HydrophobicContact CB-CG 4.43Å; K629-Y631 HydrophobicContact CB-CE2 3.98Å; K629-Y631 HydrophobicContact CD-CE2 4.26Å; K629-Y631 HydrophobicContact CG-CE2 4.14Å; Y631-L740 HydrophobicContact CE1-CD1 4.11Å; Y631-L740 HydrophobicContact CE1-CD2 4.3Å; Y631-L740 WeakPolarHBondContact OH-CD2 3.27Å; Y631-E742 WeakPolarHBondContact CE1-OE1 3.46Å; Y631-F781 HydrophobicContact CD1-CZ 4.25Å; Y631-Y783 HydrophobicContact CD1-CD1 4.01Å; Y631-Y783 HydrophobicContact CD1-CD2 4.01Å; Y631-Y783 HydrophobicContact CD1-CE1 4.3Å; Y631-Y783 HydrophobicContact CD1-CE2 4.28Å; Y631-Y783 AromaticContact CD1-CG 3.87Å; Y631-Y783 HydrophobicContact CD1-CG 3.87Å; Y631-Y783 HydrophobicContact CD2-CD1 4.44Å; Y631-Y783 HydrophobicContact CD2-CD2 4.03Å; Y631-Y783 AromaticContact CD2-CE1 3.95Å; Y631-Y783 HydrophobicContact CD2-CE1 3.95Å; Y631-Y783 AromaticContact CD2-CE2 3.48Å; Y631-Y783 HydrophobicContact CD2-CE2 3.48Å; Y631-Y783 VanDerWaalsContact CD2-CE2 3.48Å; Y631-Y783 HydrophobicContact CD2-CG 4.49Å; Y631-Y783 AromaticContact CD2-CZ 3.45Å; Y631-Y783 VanDerWaalsContact CD2-CZ 3.45Å; Y631-Y783 HydrophobicContact CE1-CD2 4.11Å; Y631-Y783 HydrophobicContact CE1-CE2 4.49Å; Y631-Y783 HydrophobicContact CE1-CG 4.31Å; Y631-Y783 HydrophobicContact CE2-CD2 4.14Å; Y631-Y783 AromaticContact CE2-CE2 3.74Å; Y631-Y783 HydrophobicContact CE2-CE2 3.74Å; Y631-Y783 AromaticContact CG-CD1 3.77Å; Y631-Y783 HydrophobicContact CG-CD1 3.77Å; Y631-Y783 AromaticContact CG-CD2 3.97Å; Y631-Y783 HydrophobicContact CG-CD2 3.97Å; Y631-Y783 AromaticContact CG-CE1 3.59Å; Y631-Y783 HydrophobicContact CG-CE1 3.59Å; Y631-Y783 AromaticContact CG-CE2 3.79Å; Y631-Y783 HydrophobicContact CG-CE2 3.79Å; Y631-Y783 AromaticContact CG-CG 3.98Å; Y631-Y783 HydrophobicContact CG-CG 3.98Å; Y631-Y783 AromaticContact CG-CZ 3.61Å | ||
| 632 | Y | 90.4 | Very high | 90.2 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -105.5 | 136.7 | -178.2 | -57.3 | -52.1 | 0 | 0 | 0 | 111.3 | V630 A634 D635 F781 C782 Y783 | V630-Y632 WeakPolarHBondContact CG1-O 2.9Å; Y632-A634 VanDerWaalsContact C-N 3.33Å; Y632-A634 PolarHBondContact O-N 2.91Å; Y632-D635 HydrophobicContact CD2-CB 4.3Å; Y632-F781 HydrophobicContact CD1-CD1 4.15Å; Y632-F781 HydrophobicContact CD1-CE1 4.35Å; Y632-F781 AromaticContact CE1-CD1 3.66Å; Y632-F781 HydrophobicContact CE1-CD1 3.66Å; Y632-F781 AromaticContact CE1-CE1 3.9Å; Y632-F781 HydrophobicContact CE1-CE1 3.9Å; Y632-C782 WeakPolarHBondContact OH-CA 3.25Å; Y632-Y783 AromaticContact CD2-CE1 3.87Å; Y632-Y783 HydrophobicContact CD2-CE1 3.87Å; Y632-Y783 HydrophobicContact CE1-CD1 4.04Å; Y632-Y783 HydrophobicContact CE1-CE1 4.22Å; Y632-Y783 AromaticContact CE2-CD1 3.82Å; Y632-Y783 HydrophobicContact CE2-CD1 3.82Å; Y632-Y783 AromaticContact CE2-CE1 3.3Å; Y632-Y783 HydrophobicContact CE2-CE1 3.3Å; Y632-Y783 AromaticContact CZ-CD1 3.45Å; Y632-Y783 VanDerWaalsContact CZ-CD1 3.45Å; Y632-Y783 AromaticContact CZ-CE1 3.48Å; Y632-Y783 VanDerWaalsContact CZ-CE1 3.48Å; Y632-Y783 VanDerWaalsContact OH-CD1 3.29Å; Y632-Y783 WeakPolarHBondContact OH-CD1 3.44Å; Y632-Y783 PolarHBondContact OH-N 3.49Å |
| 633 | P | 87.6 | Confident | 89.7 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -36.2 | -179.8 | -20.1 | 27.4 | 0 | 0 | 0 | 114.8 | D574 L578 Y623 | D574-P633 WeakPolarHBondContact O-CG 3.47Å; L578-P633 HydrophobicContact CD1-CB 4.19Å; L578-P633 HydrophobicContact CD1-CG 4.44Å; L578-P633 HydrophobicContact CD2-CG 4.5Å; L578-P633 HydrophobicContact CG-CB 4.28Å; L578-P633 HydrophobicContact CG-CG 4Å; Y623-P633 PolarHBondContact OH-O 3.08Å |
| 634 | A | 87.4 | Confident | 89.2 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 65% | 0.645 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 2.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y632 P636 | Y632-A634 VanDerWaalsContact C-N 3.33Å; Y632-A634 PolarHBondContact O-N 2.91Å; A634-P636 CarbonylContact C-O 3.5Å; A634-P636 CarbonylContact O-C 3.51Å |
| 635 | D | 85.8 | Confident | 88.7 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -141.8 | 101.6 | -174.1 | -169.7 | 8.4 | 0 | 0 | 0 | 111.6 | Y632 R778 | Y632-D635 HydrophobicContact CD2-CB 4.3Å; D635-R778 IonicContact OD2-CZ 2.88Å; D635-R778 IonicContact OD2-NH1 3.18Å; D635-R778 PolarHBondContact OD2-NH1 3.37Å; D635-R778 IonicContact OD2-NH2 3.72Å; D635-R778 PolarHBondContact OD2-NH2 2.93Å |
| 636 | P | 89.3 | Confident | 88.5 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 32% | 0.318 | 33% | 0.327 | S | S | . | . | S | Bend | cis | -69.9 | 161.8 | -0.6 | 30.2 | -34.5 | 0 | 0 | 0 | 112.1 | Y623 T625 A634 | Y623-P636 HydrophobicContact CD1-CG 4.39Å; Y623-P636 VanDerWaalsContact CE1-O 3.25Å; Y623-P636 WeakPolarHBondContact CE1-O 3.06Å; T625-P636 HydrophobicContact CG2-CG 3.43Å; T625-P636 VanDerWaalsContact CG2-CG 3.43Å; A634-P636 CarbonylContact C-O 3.5Å; A634-P636 CarbonylContact O-C 3.51Å |
| 637 | P | 92 | Very high | 88.4 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 65% | 0.649 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 143.2 | 175.4 | 24.5 | -33.9 | 0 | 0 | 0 | 111.1 | Y639 | P637-Y639 PolarHBondContact O-N 3.26Š|
| 638 | P | 94.1 | Very high | 88.7 | Confident | 43 Ų | 43 | 55.4 Ų | 55.4 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -62 | 137.6 | 179.2 | 26 | -33.9 | 0 | 0 | 0 | 110.7 | V621 Y623 D641 | V621-P638 HydrophobicContact CG1-CB 3.63Å; Y623-P638 HydrophobicContact CD1-CB 4.4Å; Y623-P638 HydrophobicContact CE1-CB 3.89Å; P638-D641 HydrophobicContact CB-CB 4.2Å; P638-D641 HydrophobicContact CG-CB 3.9Å |
| 639 | Y | 94.6 | Very high | 88.9 | Confident | 95 Ų | 95 | 50.1 Ų | 50.1 | 37% | 0.373 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -72.9 | -38.7 | 172.7 | 178.2 | -117.3 | 0 | 0 | 0 | 111.3 | V622 K624 P637 I654 F664 | V622-Y639 HydrophobicContact CG1-CD1 4.14Å; V622-Y639 WeakPolarHBondContact O-CA 3.1Å; V622-Y639 WeakPolarHBondContact O-CB 3.46Å; V622-Y639 PolarHBondContact O-N 3.39Å; K624-Y639 HydrophobicContact CD-CD2 4.01Å; K624-Y639 HydrophobicContact CD-CE2 4.39Å; K624-Y639 HydrophobicContact CD-CG 4.16Å; K624-Y639 VanDerWaalsContact CE-CE2 3.49Å; K624-Y639 HydrophobicContact CG-CD1 4.44Å; K624-Y639 HydrophobicContact CG-CD2 4.42Å; K624-Y639 HydrophobicContact CG-CG 4.07Å; P637-Y639 PolarHBondContact O-N 3.26Å; Y639-I654 HydrophobicContact CE1-CG2 4.26Å; Y639-F664 HydrophobicContact CD1-CD1 4.29Å; Y639-F664 AromaticContact CD1-CE1 3.85Å; Y639-F664 HydrophobicContact CD1-CE1 3.85Å; Y639-F664 AromaticContact CE1-CE1 3.85Å; Y639-F664 HydrophobicContact CE1-CE1 3.85Å |
| 640 | I | 94 | Very high | 89.1 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -135.1 | 116.6 | 167.2 | -56 | 175.9 | 0 | 0 | 0 | 107.1 | V621 V622 T652 I654 | V621-I640 WeakPolarHBondContact CA-O 3.48Å; V622-I640 HydrophobicContact CB-CB 3.98Å; V622-I640 HydrophobicContact CB-CG1 4.37Å; V622-I640 HydrophobicContact CG2-CB 4.11Å; V622-I640 HydrophobicContact CG2-CD1 4.41Å; V622-I640 PolarHBondContact N-O 3.41Å; V622-I640 PolarHBondContact O-N 2.51Å; V622-I640 VanDerWaalsContact O-N 3.1Å; I640-T652 HydrophobicContact CD1-CG2 3.88Å; I640-T652 HydrophobicContact CG2-CG2 4.17Å; I640-I654 HydrophobicContact CD1-CG1 3.78Å |
| 641 | D | 90.8 | Very high | 89.2 | Confident | 98 Ų | 98 | 49.8 Ų | 49.8 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | trans | -93 | 109.2 | 170.2 | -169.7 | 11.8 | 0 | 0 | 0 | 109.2 | P638 R644 | P638-D641 HydrophobicContact CB-CB 4.2Å; P638-D641 HydrophobicContact CG-CB 3.9Å; D641-R644 IonicContact OD1-NH1 2.82Å | ||
| 642 | G | 87.1 | Confident | 89.5 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | trans | -71.4 | 139.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T619 L620 R644 Y650 | T619-G642 VanDerWaalsContact OG1-CA 3.24Å; T619-G642 WeakPolarHBondContact OG1-CA 3.41Å; T619-G642 PolarHBondContact OG1-O 3.14Å; L620-G642 WeakPolarHBondContact O-CA 3.29Å; L620-G642 PolarHBondContact O-N 2.59Å; G642-R644 PolarHBondContact O-N 3.27Å; G642-Y650 WeakPolarHBondContact CA-OH 3.48Å | ||
| 643 | I | 85.8 | Confident | 89.7 | Confident | 124 Ų | 124 | 52.4 Ų | 52.4 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | trans | -67.1 | 130.8 | 172.1 | -57.6 | 173.4 | 0 | 0 | 0 | 107.8 | T619 I645 Y650 | T619-I643 WeakPolarHBondContact CB-O 3.4Å; T619-I643 PolarHBondContact OG1-O 2.95Å; I643-I645 HydrophobicContact CB-CG2 4.46Å; I643-I645 HydrophobicContact CG2-CG2 3.98Å; I643-I645 PolarHBondContact O-N 2.9Å; I643-Y650 PolarHBondContact N-OH 3.28Å | ||
| 644 | R | 84.6 | Confident | 90.1 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | trans | -76.6 | 114.6 | 175.2 | -71 | 170.3 | 179 | 73.2 | 3.5 | 108.5 | F617 T619 D641 G642 S669 | F617-R644 HydrophobicContact CB-CB 4.3Å; T619-R644 HydrophobicContact CG2-CG 3.62Å; D641-R644 IonicContact OD1-NH1 2.82Å; G642-R644 PolarHBondContact O-N 3.27Å; R644-S669 PolarHBondContact NH2-OG 3.41Å; R644-S669 VanDerWaalsContact NH2-OG 3.1Å | ||
| 645 | I | 83.1 | Confident | 90.4 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -122.7 | 153.5 | -179.1 | 64.6 | 173.5 | 0 | 0 | 0 | 109.8 | F617 I618 I643 H649 Y650 | F617-I645 WeakPolarHBondContact CA-O 3.3Å; I618-I645 PolarHBondContact N-O 2.84Å; I618-I645 PolarHBondContact O-N 2.92Å; I643-I645 HydrophobicContact CB-CG2 4.46Å; I643-I645 HydrophobicContact CG2-CG2 3.98Å; I643-I645 PolarHBondContact O-N 2.9Å; I645-H649 WeakPolarHBondContact CD1-O 3.48Å; I645-Y650 HydrophobicContact CD1-CD2 3.66Å; I645-Y650 HydrophobicContact CD1-CG 4.33Å; I645-Y650 HydrophobicContact CG1-CD2 4.05Å |
| 646 | N | 82.8 | Confident | 90.6 | Very high | 53 Ų | 53 | 53.8 Ų | 53.8 | 28% | 0.283 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -94.1 | -4 | 176.4 | 61.3 | -6.2 | 0 | 0 | 0 | 112.7 | N614 E616 F617 | N614-N646 VanDerWaalsContact CG-ND2 3.27Å; N614-N646 PolarHBondContact ND2-ND2 2.9Å; N614-N646 VanDerWaalsContact OD1-CB 3.27Å; N614-N646 WeakPolarHBondContact OD1-CB 2.99Å; N614-N646 PolarHBondContact OD1-O 3.28Å; N614-N646 VanDerWaalsContact OD1-O 3.07Å; E616-N646 WeakPolarHBondContact O-CA 3.48Å; F617-N646 HydrophobicContact CD1-CB 3.9Å; F617-N646 HydrophobicContact CE1-CB 3.74Å; F617-N646 HydrophobicContact CE2-CB 4.44Å; F617-N646 HydrophobicContact CG-CB 4.32Å; F617-N646 HydrophobicContact CZ-CB 4.02Å |
| 647 | S | 85.2 | Confident | 90.7 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -66.2 | 143.5 | 169 | -172 | 0 | 0 | 0 | 0 | 110.8 | H649 | S647-H649 PolarHBondContact O-N 3.4Š|
| 648 | P | 88.9 | Confident | 90.7 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -60.6 | -24.1 | 177.4 | -24 | 33.7 | 0 | 0 | 0 | 114.6 | I403 T602 R603 I605 | I403-P648 HydrophobicContact CD1-CG 3.9Å; I403-P648 HydrophobicContact CG1-CG 4.15Å; T602-P648 CarbonylContact C-O 3.55Å; T602-P648 WeakPolarHBondContact CA-O 3.45Å; R603-P648 PolarHBondContact N-O 3.46Å; I605-P648 HydrophobicContact CD1-CB 3.83Å; I605-P648 HydrophobicContact CD1-CG 3.34Å; I605-P648 HydrophobicContact CG1-CB 4.29Å; I605-P648 HydrophobicContact CG1-CG 4.13Å |
| 649 | H | 92.7 | Very high | 90.6 | Very high | 20 Ų | 20 | 55.9 Ų | 55.9 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.8 | -174.6 | -55.4 | -62.3 | 0 | 0 | 0 | 112 | H406 P413 L600 L601 T602 I645 S647 | H406-H649 AromaticContact CD2-CE1 3.19Å; H406-H649 PolarHBondContact CD2-CE1 3.19Å; H406-H649 AromaticContact CD2-ND1 3.95Å; H406-H649 AromaticContact CD2-NE2 3.47Å; H406-H649 PolarHBondContact CD2-NE2 3.48Å; H406-H649 AromaticContact CG-CE1 3.96Å; H406-H649 AromaticContact CG-NE2 3.95Å; H406-H649 AromaticContact NE2-CE1 3.76Å; P413-H649 HydrophobicContact CB-CB 4.47Å; P413-H649 HydrophobicContact CG-CB 3.61Å; L600-H649 HydrophobicContact CD1-CB 4.33Å; L601-H649 WeakPolarHBondContact O-CA 3.32Å; T602-H649 VanDerWaalsContact CG2-CE1 3.44Å; T602-H649 WeakPolarHBondContact CG2-CE1 3.29Å; T602-H649 PolarHBondContact OG1-ND1 3.27Å; T602-H649 VanDerWaalsContact OG1-ND1 3.1Å; I645-H649 WeakPolarHBondContact CD1-O 3.48Å; S647-H649 PolarHBondContact O-N 3.4Å |
| 650 | Y | 93.4 | Very high | 90.5 | Very high | 32 Ų | 32 | 53.1 Ų | 53.1 | 13% | 0.125 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123 | 172.9 | -177.1 | -109 | 0 | 0 | 0 | 110.4 | L601 L620 G642 I643 I645 T652 | L601-Y650 PolarHBondContact N-O 3.4Å; L601-Y650 PolarHBondContact O-N 3.46Å; L620-Y650 HydrophobicContact CB-CD1 3.98Å; L620-Y650 HydrophobicContact CB-CE1 4.04Å; G642-Y650 WeakPolarHBondContact CA-OH 3.48Å; I643-Y650 PolarHBondContact N-OH 3.28Å; I645-Y650 HydrophobicContact CD1-CD2 3.66Å; I645-Y650 HydrophobicContact CD1-CG 4.33Å; I645-Y650 HydrophobicContact CG1-CD2 4.05Å; Y650-T652 WeakPolarHBondContact CE1-OG1 3.24Å |
| 651 | L | 95.2 | Very high | 90.5 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.1 | -180 | -177.2 | 67.5 | 0 | 0 | 0 | 110.6 | I412 E414 W598 L600 K653 | I412-L651 HydrophobicContact CG2-CD1 3.68Å; I412-L651 HydrophobicContact CG2-CD2 4.07Å; I412-L651 HydrophobicContact CG2-CG 4.49Å; E414-L651 HydrophobicContact CB-CD2 3.94Å; W598-L651 HydrophobicContact CB-CD1 4.16Å; W598-L651 HydrophobicContact CE3-CD2 4.16Å; L600-L651 HydrophobicContact CB-CD1 4.16Å; L600-L651 HydrophobicContact CD1-CB 4.39Å; L600-L651 HydrophobicContact CD1-CD1 4.34Å; L651-K653 HydrophobicContact CD2-CG 4.29Å; L651-K653 HydrophobicContact CG-CG 4.3Å |
| 652 | T | 95.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.5 | 171.1 | -55.5 | 0 | 0 | 0 | 0 | 110 | W598 V599 V622 I640 Y650 I654 | W598-T652 CarbonylContact C-O 3.48Å; W598-T652 WeakPolarHBondContact CA-O 3.31Å; V599-T652 PolarHBondContact N-O 2.99Å; V599-T652 PolarHBondContact O-N 3.44Å; V622-T652 HydrophobicContact CG2-CG2 3.88Å; I640-T652 HydrophobicContact CD1-CG2 3.88Å; I640-T652 HydrophobicContact CG2-CG2 4.17Å; Y650-T652 WeakPolarHBondContact CE1-OG1 3.24Å; T652-I654 HydrophobicContact CG2-CG1 4.4Å |
| 653 | K | 94.6 | Very high | 91.1 | Very high | 76 Ų | 76 | 53.3 Ų | 53.3 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 115.4 | 177.6 | -63.5 | -176.5 | 176.3 | 177.4 | 0 | 110.4 | E414 W598 L651 | E414-K653 WeakPolarHBondContact OE1-CE 3.37Å; E414-K653 IonicContact OE1-NZ 2.76Å; E414-K653 PolarHBondContact OE1-NZ 2.79Å; E414-K653 IonicContact OE2-NZ 2.87Å; E414-K653 PolarHBondContact OE2-NZ 3.27Å; W598-K653 HydrophobicContact CD2-CD 4.41Å; W598-K653 HydrophobicContact CD2-CG 4.18Å; W598-K653 HydrophobicContact CG-CG 4.06Å; W598-K653 HydrophobicContact CZ2-CD 4.13Å; L651-K653 HydrophobicContact CD2-CG 4.29Å; L651-K653 HydrophobicContact CG-CG 4.3Å |
| 654 | I | 94.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.3 | 176.3 | -57.4 | 168.4 | 0 | 0 | 0 | 108.1 | L586 V597 V599 V622 Y639 I640 T652 L656 F664 | L586-I654 HydrophobicContact CD2-CD1 4.45Å; V597-I654 HydrophobicContact CB-CB 4.24Å; V597-I654 PolarHBondContact N-O 3.22Å; V597-I654 PolarHBondContact O-N 2.82Å; V599-I654 HydrophobicContact CG2-CD1 4.49Å; V622-I654 HydrophobicContact CG1-CD1 4.1Å; V622-I654 HydrophobicContact CG2-CD1 4.4Å; Y639-I654 HydrophobicContact CE1-CG2 4.26Å; I640-I654 HydrophobicContact CD1-CG1 3.78Å; T652-I654 HydrophobicContact CG2-CG1 4.4Å; I654-L656 HydrophobicContact CG2-CD2 3.79Å; I654-L656 HydrophobicContact CG2-CG 4.38Å; I654-F664 HydrophobicContact CG2-CE1 4.36Å; I654-F664 HydrophobicContact CG2-CE2 4.24Å; I654-F664 HydrophobicContact CG2-CZ 3.9Å |
| 655 | R | 93.3 | Very high | 92.2 | Very high | 202 Ų | 202 | 43.6 Ų | 43.6 | 76% | 0.762 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 118.8 | 176 | -173.7 | 179.7 | 179.8 | -164.8 | -0.6 | 109.8 | ||
| 656 | L | 92 | Very high | 92.8 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.9 | 177.3 | -53.8 | -179.6 | 0 | 0 | 0 | 109.3 | V588 C590 G594 A595 V597 I654 H662 F664 | V588-L656 HydrophobicContact CB-CD1 4.19Å; V588-L656 HydrophobicContact CG1-CD1 3.94Å; C590-L656 HydrophobicContact CB-CB 4.3Å; C590-L656 HydrophobicContact CB-CD1 4.02Å; C590-L656 VanDerWaalsContact SG-CB 3.56Å; G594-L656 CarbonylContact C-O 3.26Å; G594-L656 WeakPolarHBondContact CA-O 3.39Å; A595-L656 HydrophobicContact CB-CB 4.32Å; A595-L656 HydrophobicContact CB-CD1 4.3Å; A595-L656 PolarHBondContact N-O 3.13Å; A595-L656 PolarHBondContact O-N 3.14Å; V597-L656 HydrophobicContact CG2-CD1 4.11Å; I654-L656 HydrophobicContact CG2-CD2 3.79Å; I654-L656 HydrophobicContact CG2-CG 4.38Å; L656-H662 HydrophobicContact CD1-CB 4.26Å; L656-H662 HydrophobicContact CD2-CB 4.27Å; L656-F664 HydrophobicContact CD2-CE2 3.94Å; L656-F664 HydrophobicContact CD2-CZ 3.6Å |
| 657 | T | 90.1 | Very high | 93.3 | Very high | 108 Ų | 108 | 39 Ų | 39 | 66% | 0.663 | 22% | 0.219 | S | C | * | . | trans | -108.4 | -20.8 | -179.3 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 658 | S | 91.3 | Very high | 93.6 | Very high | 64 Ų | 64 | 38 Ų | 38 | 45% | 0.448 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -103.7 | 140.7 | 178.1 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | C590 H662 | C590-S658 WeakPolarHBondContact CB-O 3.23Å; C590-S658 PolarHBondContact SG-O 3.37Å; S658-H662 PolarHBondContact O-NE2 2.87Å; S658-H662 PolarHBondContact OG-CE1 2.91Å; S658-H662 PolarHBondContact OG-NE2 2.88Å |
| 659 | A | 92.4 | Very high | 93.5 | Very high | 64 Ų | 64 | 37.8 Ų | 37.8 | 53% | 0.529 | 21% | 0.211 | S | C | . | . | trans | -66 | 153.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | C590 | C590-A659 WeakPolarHBondContact O-CA 3.11Š| ||
| 660 | G | 92.9 | Very high | 93 | Very high | 38 Ų | 38 | 37 Ų | 37 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 116.3 | -173.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C590 H662 | C590-G660 WeakPolarHBondContact CB-O 3.14Å; C590-G660 PolarHBondContact N-O 3.47Å; C590-G660 PolarHBondContact O-N 3.3Å; G660-H662 PolarHBondContact O-CD2 3.35Å |
| 661 | T | 95 | Very high | 92.1 | Very high | 85 Ų | 85 | 40.5 Ų | 40.5 | 52% | 0.521 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124.6 | 179.5 | -57.6 | 0 | 0 | 0 | 0 | 110 | E587 V588 | E587-T661 HydrophobicContact CG-CG2 3.48Å; E587-T661 VanDerWaalsContact CG-CG2 3.48Å; V588-T661 WeakPolarHBondContact O-CA 3.4Å |
| 662 | H | 94.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 14% | 0.139 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.4 | 174.8 | -67.3 | -96.9 | 0 | 0 | 0 | 109.6 | E587 V588 L656 S658 G660 F664 | E587-H662 CarbonylContact C-O 3.52Å; E587-H662 WeakPolarHBondContact CA-O 3.37Å; V588-H662 PolarHBondContact N-O 2.95Å; V588-H662 PolarHBondContact O-N 2.98Å; L656-H662 HydrophobicContact CD1-CB 4.26Å; L656-H662 HydrophobicContact CD2-CB 4.27Å; S658-H662 PolarHBondContact O-NE2 2.87Å; S658-H662 PolarHBondContact OG-CE1 2.91Å; S658-H662 PolarHBondContact OG-NE2 2.88Å; G660-H662 PolarHBondContact O-CD2 3.35Å; H662-F664 HydrophobicContact CB-CE2 3.66Å; H662-F664 HydrophobicContact CB-CZ 3.98Å |
| 663 | T | 95.7 | Very high | 89.9 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 18% | 0.184 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.6 | -178.3 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | K585 L586 E587 E626 | K585-T663 HydrophobicContact CD-CG2 4.34Å; K585-T663 HydrophobicContact CG-CG2 4.07Å; L586-T663 CarbonylContact O-C 3.56Å; L586-T663 WeakPolarHBondContact O-CA 2.91Å; E587-T663 HydrophobicContact CB-CG2 4.43Å; E626-T663 WeakPolarHBondContact O-CG2 3.46Å |
| 664 | F | 95.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 150.6 | -178.3 | -58.2 | -80.8 | 0 | 0 | 0 | 111 | L586 V622 Y623 K624 Y639 I654 L656 H662 L666 | L586-F664 HydrophobicContact CB-CB 4.4Å; L586-F664 PolarHBondContact N-O 3.24Å; L586-F664 PolarHBondContact O-N 3.17Å; V622-F664 HydrophobicContact CG1-CB 4.11Å; V622-F664 HydrophobicContact CG1-CD1 3.76Å; V622-F664 HydrophobicContact CG1-CG 4.19Å; Y623-F664 WeakPolarHBondContact O-CA 3.36Å; K624-F664 HydrophobicContact CD-CE1 4.35Å; K624-F664 HydrophobicContact CG-CD1 3.94Å; K624-F664 HydrophobicContact CG-CE1 3.84Å; Y639-F664 HydrophobicContact CD1-CD1 4.29Å; Y639-F664 AromaticContact CD1-CE1 3.85Å; Y639-F664 HydrophobicContact CD1-CE1 3.85Å; Y639-F664 AromaticContact CE1-CE1 3.85Å; Y639-F664 HydrophobicContact CE1-CE1 3.85Å; I654-F664 HydrophobicContact CG2-CE1 4.36Å; I654-F664 HydrophobicContact CG2-CE2 4.24Å; I654-F664 HydrophobicContact CG2-CZ 3.9Å; L656-F664 HydrophobicContact CD2-CE2 3.94Å; L656-F664 HydrophobicContact CD2-CZ 3.6Å; H662-F664 HydrophobicContact CB-CE2 3.66Å; H662-F664 HydrophobicContact CB-CZ 3.98Å; F664-L666 HydrophobicContact CB-CD2 4.31Å |
| 665 | T | 96.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.1 | 164.7 | -63.9 | 0 | 0 | 0 | 0 | 108.4 | Q583 Y584 Y623 T625 G627 K628 V630 V667 I694 | Q583-T665 HydrophobicContact CB-CG2 4.24Å; Y584-T665 CarbonylContact O-C 3.58Å; Y584-T665 WeakPolarHBondContact O-CA 3.28Å; Y623-T665 PolarHBondContact N-O 2.76Å; Y623-T665 PolarHBondContact O-N 2.86Å; T625-T665 WeakPolarHBondContact OG1-CB 3.26Å; T625-T665 PolarHBondContact OG1-OG1 2.87Å; G627-T665 VanDerWaalsContact CA-OG1 3.24Å; G627-T665 WeakPolarHBondContact CA-OG1 3.33Å; K628-T665 PolarHBondContact O-OG1 3.15Å; V630-T665 HydrophobicContact CG2-CG2 3.88Å; T665-V667 HydrophobicContact CG2-CG2 4.21Å; T665-I694 HydrophobicContact CG2-CD1 3.65Å |
| 666 | L | 96.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125 | 177.8 | -46.8 | 178.5 | 0 | 0 | 0 | 108.5 | Q583 Y584 L586 V599 L620 V622 F664 L681 F691 | Q583-L666 CarbonylContact C-O 3.47Å; Q583-L666 VanDerWaalsContact CA-O 3.23Å; Q583-L666 WeakPolarHBondContact CA-O 3.35Å; Y584-L666 PolarHBondContact N-O 3.37Å; Y584-L666 PolarHBondContact O-N 2.78Å; L586-L666 HydrophobicContact CB-CD1 3.99Å; L586-L666 HydrophobicContact CB-CG 4.15Å; L586-L666 HydrophobicContact CD2-CD1 4.04Å; L586-L666 HydrophobicContact CD2-CD2 4.34Å; V599-L666 HydrophobicContact CG1-CD1 4.16Å; V599-L666 HydrophobicContact CG2-CD1 4.32Å; L620-L666 HydrophobicContact CD1-CB 4.14Å; V622-L666 HydrophobicContact CB-CD2 4.39Å; V622-L666 HydrophobicContact CG1-CD2 3.98Å; V622-L666 HydrophobicContact CG2-CD2 3.87Å; F664-L666 HydrophobicContact CB-CD2 4.31Å; L666-L681 HydrophobicContact CD1-CD2 4.23Å; L666-F691 HydrophobicContact CD1-CD2 4.49Å; L666-F691 HydrophobicContact CD1-CE2 3.95Å |
| 667 | V | 93.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120 | 179.2 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | L578 N581 Q583 V621 Y623 V630 T665 | L578-V667 HydrophobicContact CB-CG1 4.49Å; L578-V667 HydrophobicContact CD1-CG1 4.33Å; L578-V667 HydrophobicContact CD2-CG1 4.39Å; N581-V667 HydrophobicContact CB-CG1 3.7Å; Q583-V667 HydrophobicContact CG-CG1 4.36Å; Q583-V667 HydrophobicContact CG-CG2 4.01Å; V621-V667 HydrophobicContact CB-CB 4.48Å; V621-V667 PolarHBondContact N-O 3.09Å; V621-V667 PolarHBondContact O-N 3.14Å; Y623-V667 HydrophobicContact CD2-CG2 3.86Å; Y623-V667 HydrophobicContact CE2-CB 4.35Å; Y623-V667 HydrophobicContact CE2-CG2 3.86Å; V630-V667 HydrophobicContact CB-CG2 4.38Å; T665-V667 HydrophobicContact CG2-CG2 4.21Å |
| 668 | V | 91.7 | Very high | 86.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 119.4 | 172.1 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | N581 P582 Y584 L601 I618 L620 Y679 L681 | N581-V668 WeakPolarHBondContact CB-O 3.13Å; N581-V668 PolarHBondContact ND2-O 2.87Å; P582-V668 PolarHBondContact O-N 3.24Å; P582-V668 VanDerWaalsContact O-N 3.1Å; Y584-V668 HydrophobicContact CD2-CG2 4.46Å; Y584-V668 HydrophobicContact CE2-CG2 4.01Å; L601-V668 HydrophobicContact CD1-CG1 4.19Å; L601-V668 HydrophobicContact CD1-CG2 4.34Å; L601-V668 HydrophobicContact CD2-CG1 4.23Å; I618-V668 HydrophobicContact CD1-CG1 3.89Å; I618-V668 HydrophobicContact CG1-CG1 4.16Å; L620-V668 HydrophobicContact CD1-CG2 3.84Å; V668-Y679 HydrophobicContact CB-CE2 4.46Å; V668-Y679 HydrophobicContact CG1-CD1 4.31Å; V668-Y679 HydrophobicContact CG1-CE1 4.02Å; V668-Y679 HydrophobicContact CG1-CE2 4.33Å; V668-Y679 HydrophobicContact CG2-CD2 4.49Å; V668-Y679 HydrophobicContact CG2-CE2 3.77Å; V668-L681 HydrophobicContact CG2-CD2 4.34Å |
| 669 | S | 87.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.1 | -175 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | D574 I618 T619 R644 | D574-S669 VanDerWaalsContact OD2-CB 3.31Å; D574-S669 WeakPolarHBondContact OD2-CB 3.47Å; D574-S669 PolarHBondContact OD2-OG 2.87Å; I618-S669 CarbonylContact C-O 3.58Å; I618-S669 WeakPolarHBondContact CA-O 3.49Å; I618-S669 WeakPolarHBondContact CG1-O 3.3Å; T619-S669 PolarHBondContact N-O 3.37Å; T619-S669 PolarHBondContact O-N 3.5Å; R644-S669 PolarHBondContact NH2-OG 3.41Å; R644-S669 VanDerWaalsContact NH2-OG 3.1Å |
| 670 | Q | 81.4 | Confident | 86.6 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.1 | 175.1 | -174.9 | 169.9 | -22.9 | 0 | 0 | 108.7 | W565 F617 E672 K673 N675 I677 | W565-Q670 HydrophobicContact CH2-CB 3.66Å; W565-Q670 HydrophobicContact CH2-CG 4.48Å; W565-Q670 HydrophobicContact CZ3-CB 4.15Å; F617-Q670 WeakPolarHBondContact O-CA 3.34Å; F617-Q670 WeakPolarHBondContact O-CG 3.31Å; Q670-E672 WeakPolarHBondContact CG-O 3.45Å; Q670-E672 PolarHBondContact NE2-O 2.9Å; Q670-K673 HydrophobicContact CB-CG 4.48Å; Q670-N675 PolarHBondContact NE2-O 2.67Å; Q670-I677 HydrophobicContact CG-CD1 3.87Å |
| 671 | Y | 75.3 | Confident | 86.7 | Confident | 105 Ų | 105 | 33.1 Ų | 33.1 | 41% | 0.412 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -67.1 | -50.5 | 179.4 | -174.9 | -108 | 0 | 0 | 0 | 112.1 | K573 F617 | K573-Y671 PolarHBondContact NZ-OH 3.16Å; K573-Y671 VanDerWaalsContact NZ-OH 3.17Å; F617-Y671 PolarHBondContact O-N 3.46Å |
| 672 | E | 73.8 | Confident | 86.8 | Confident | 67 Ų | 67 | 30.1 Ų | 30.1 | 31% | 0.313 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -129.4 | 115.7 | 178.2 | -78 | -176.6 | -172 | 0 | 0 | 111.1 | V572 K573 Q670 Q674 | V572-E672 HydrophobicContact CG1-CB 4.5Å; V572-E672 HydrophobicContact CG1-CG 4.4Å; V572-E672 WeakPolarHBondContact O-CA 3.48Å; K573-E672 WeakPolarHBondContact CE-OE1 3.41Å; K573-E672 HydrophobicContact CG-CG 4.43Å; K573-E672 IonicContact NZ-OE1 3.77Å; K573-E672 PolarHBondContact NZ-OE1 3.37Å; Q670-E672 WeakPolarHBondContact CG-O 3.45Å; Q670-E672 PolarHBondContact NE2-O 2.9Å; E672-Q674 HydrophobicContact CB-CG 4.38Å; E672-Q674 PolarHBondContact O-N 2.87Å; E672-Q674 PolarHBondContact OE2-NE2 2.86Å |
| 673 | K | 70.4 | Confident | 86.9 | Confident | 24 Ų | 24 | 28.7 Ų | 28.7 | 10% | 0.104 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 52 | -173.4 | -54.8 | -172 | -175.9 | 171.1 | 0 | 113.1 | W565 P571 V572 D574 N581 Q670 | W565-K673 HydrophobicContact CD2-CB 4.41Å; W565-K673 HydrophobicContact CD2-CD 3.87Å; W565-K673 HydrophobicContact CD2-CG 4.41Å; W565-K673 HydrophobicContact CE3-CB 3.67Å; W565-K673 HydrophobicContact CE3-CD 3.86Å; W565-K673 HydrophobicContact CE3-CG 3.89Å; W565-K673 HydrophobicContact CH2-CB 4.12Å; W565-K673 HydrophobicContact CH2-CD 3.44Å; W565-K673 VanDerWaalsContact CH2-CD 3.44Å; W565-K673 HydrophobicContact CH2-CG 3.42Å; W565-K673 VanDerWaalsContact CH2-CG 3.42Å; W565-K673 HydrophobicContact CZ2-CD 3.41Å; W565-K673 VanDerWaalsContact CZ2-CD 3.41Å; W565-K673 VanDerWaalsContact CZ2-CE 3.4Å; W565-K673 HydrophobicContact CZ2-CG 3.97Å; W565-K673 HydrophobicContact CZ3-CB 3.48Å; W565-K673 VanDerWaalsContact CZ3-CB 3.48Å; W565-K673 HydrophobicContact CZ3-CD 3.63Å; W565-K673 HydrophobicContact CZ3-CG 3.33Å; P571-K673 WeakPolarHBondContact O-CD 3.34Å; V572-K673 WeakPolarHBondContact O-CG 3.34Å; V572-K673 PolarHBondContact O-N 3.42Å; D574-K673 WeakPolarHBondContact OD1-CE 3.1Å; D574-K673 IonicContact OD1-NZ 2.72Å; D574-K673 PolarHBondContact OD1-NZ 3.27Å; N581-K673 PolarHBondContact OD1-NZ 2.84Å; Q670-K673 HydrophobicContact CB-CG 4.48Å |
| 674 | Q | 67.4 | Low | 86.9 | Confident | 139 Ų | 139 | 27.5 Ų | 27.5 | 65% | 0.65 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -36.7 | -179.6 | -59.3 | -174 | 16.9 | 0 | 0 | 112.1 | E672 | E672-Q674 HydrophobicContact CB-CG 4.38Å; E672-Q674 PolarHBondContact O-N 2.87Å; E672-Q674 PolarHBondContact OE2-NE2 2.86Å |
| 675 | N | 71.8 | Confident | 86.8 | Confident | 96 Ų | 96 | 27.4 Ų | 27.4 | 51% | 0.513 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -122.6 | 154.7 | -177.9 | -62.2 | -29.5 | 0 | 0 | 0 | 111.3 | E616 Q670 I677 | E616-N675 WeakPolarHBondContact OE1-CB 3.29Å; E616-N675 PolarHBondContact OE1-ND2 2.89Å; Q670-N675 PolarHBondContact NE2-O 2.67Å; N675-I677 PolarHBondContact O-N 2.67Å |
| 676 | T | 77.4 | Confident | 86.4 | Confident | 73 Ų | 73 | 29.2 Ų | 29.2 | 45% | 0.448 | 15% | 0.151 | S | C | . | . | P | Polyproline II helix | trans | -75.5 | 119.8 | 170.3 | -63.3 | 0 | 0 | 0 | 0 | 109.5 | A561 | A561-T676 HydrophobicContact CB-CG2 4.35Š|
| 677 | I | 83.1 | Confident | 86.1 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -96.7 | 128 | 174.3 | -61 | -174.2 | 0 | 0 | 0 | 110.1 | C562 R603 E616 I618 Q670 N675 | C562-I677 WeakPolarHBondContact CB-O 3.32Å; C562-I677 PolarHBondContact N-O 2.81Å; R603-I677 HydrophobicContact CB-CG2 4.47Å; R603-I677 HydrophobicContact CG-CG2 3.48Å; R603-I677 VanDerWaalsContact CG-CG2 3.48Å; E616-I677 HydrophobicContact CB-CD1 3.93Å; E616-I677 HydrophobicContact CG-CD1 4.3Å; I618-I677 HydrophobicContact CD1-CG2 4.08Å; Q670-I677 HydrophobicContact CG-CD1 3.87Å; N675-I677 PolarHBondContact O-N 2.67Å |
| 678 | N | 90.3 | Very high | 86.1 | Confident | 36 Ų | 36 | 37.4 Ų | 37.4 | 19% | 0.193 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 142.6 | 169.3 | -67.6 | -47.9 | 0 | 0 | 0 | 110 | V219 T223 A561 H604 | V219-N678 HydrophobicContact CG1-CB 4.22Å; T223-N678 HydrophobicContact CG2-CB 3.54Å; T223-N678 WeakPolarHBondContact CG2-ND2 3.44Å; A561-N678 WeakPolarHBondContact CA-OD1 3.26Å; A561-N678 WeakPolarHBondContact CB-OD1 3.25Å; H604-N678 HydrophobicContact CB-CB 3.86Å; H604-N678 WeakPolarHBondContact CB-O 3.45Å; H604-N678 PolarHBondContact N-O 2.9Å |
| 679 | Y | 93.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 166.3 | -178.4 | 65.1 | -89.2 | 0 | 0 | 0 | 113.4 | S560 P582 Y584 L601 T602 H604 V668 L681 | S560-Y679 PolarHBondContact N-O 2.87Å; S560-Y679 WeakPolarHBondContact O-CD1 3.39Å; S560-Y679 PolarHBondContact O-N 3.48Å; P582-Y679 WeakPolarHBondContact CB-OH 3.33Å; P582-Y679 HydrophobicContact CG-CE1 4.38Å; P582-Y679 WeakPolarHBondContact CG-OH 3.31Å; Y584-Y679 HydrophobicContact CE2-CE2 4.28Å; Y584-Y679 PolarHBondContact OH-OH 2.83Å; L601-Y679 HydrophobicContact CD1-CD2 3.55Å; L601-Y679 HydrophobicContact CD1-CE2 4.32Å; L601-Y679 HydrophobicContact CD1-CG 3.89Å; T602-Y679 CarbonylContact O-C 3.55Å; T602-Y679 WeakPolarHBondContact O-CA 3.18Å; T602-Y679 WeakPolarHBondContact O-CB 3.42Å; H604-Y679 VanDerWaalsContact NE2-C 3.32Å; V668-Y679 HydrophobicContact CB-CE2 4.46Å; V668-Y679 HydrophobicContact CG1-CD1 4.31Å; V668-Y679 HydrophobicContact CG1-CE1 4.02Å; V668-Y679 HydrophobicContact CG1-CE2 4.33Å; V668-Y679 HydrophobicContact CG2-CD2 4.49Å; V668-Y679 HydrophobicContact CG2-CE2 3.77Å; Y679-L681 HydrophobicContact CD2-CB 4.45Å; Y679-L681 HydrophobicContact CE2-CB 4.35Å |
| 680 | T | 95.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.5 | 168.3 | -61.1 | 0 | 0 | 0 | 0 | 108.8 | C557 I558 H559 T602 H604 | C557-T680 HydrophobicContact CB-CG2 4.06Å; I558-T680 WeakPolarHBondContact O-CA 3.19Å; H559-T680 PolarHBondContact CE1-OG1 3.46Å; H559-T680 PolarHBondContact ND1-OG1 3.32Å; T602-T680 PolarHBondContact N-O 2.91Å; T602-T680 PolarHBondContact O-N 2.93Å; H604-T680 PolarHBondContact NE2-N 2.93Å; H604-T680 PolarHBondContact NE2-OG1 3.34Å |
| 681 | L | 95.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.4 | 170.8 | -167.7 | 62 | 0 | 0 | 0 | 108.7 | C557 I558 Y584 V599 L601 L620 L666 V668 Y679 F691 | C557-L681 CarbonylContact C-O 3.55Å; C557-L681 VanDerWaalsContact CA-O 3.26Å; C557-L681 WeakPolarHBondContact CA-O 3.45Å; I558-L681 PolarHBondContact N-O 3.38Å; I558-L681 PolarHBondContact O-N 3.19Å; Y584-L681 HydrophobicContact CD2-CD2 3.65Å; Y584-L681 HydrophobicContact CE2-CD2 3.96Å; Y584-L681 HydrophobicContact CG-CD2 4.01Å; V599-L681 HydrophobicContact CG1-CD1 3.44Å; V599-L681 VanDerWaalsContact CG1-CD1 3.44Å; V599-L681 HydrophobicContact CG1-CG 3.91Å; L601-L681 HydrophobicContact CB-CD1 4.04Å; L601-L681 HydrophobicContact CD1-CD1 4.17Å; L620-L681 HydrophobicContact CD1-CD1 3.92Å; L620-L681 HydrophobicContact CD1-CD2 4.19Å; L620-L681 HydrophobicContact CD2-CD1 4.18Å; L666-L681 HydrophobicContact CD1-CD2 4.23Å; V668-L681 HydrophobicContact CG2-CD2 4.34Å; Y679-L681 HydrophobicContact CD2-CB 4.45Å; Y679-L681 HydrophobicContact CE2-CB 4.35Å; L681-F691 HydrophobicContact CB-CZ 4.18Å; L681-F691 HydrophobicContact CD2-CE2 4.06Å; L681-F691 HydrophobicContact CD2-CZ 3.71Å; L681-F691 HydrophobicContact CG-CZ 3.87Å |
| 682 | R | 96.3 | Very high | 88 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.6 | -176.3 | -172.8 | 177.8 | -70.9 | -96 | 6.8 | 111.1 | G348 S556 C557 V599 L600 Y684 | G348-R682 PolarHBondContact O-NH2 3.16Å; G348-R682 VanDerWaalsContact O-NH2 3.09Å; S556-R682 CarbonylContact O-C 3.6Å; S556-R682 WeakPolarHBondContact O-CA 3.31Å; C557-R682 HydrophobicContact CB-CB 3.93Å; C557-R682 HydrophobicContact CB-CG 3.91Å; C557-R682 PolarHBondContact SG-NH2 3.36Å; C557-R682 VanDerWaalsContact SG-NH2 3.43Å; V599-R682 CarbonylContact C-O 3.56Å; V599-R682 WeakPolarHBondContact CA-O 3.24Å; L600-R682 PolarHBondContact N-O 2.65Å; L600-R682 PolarHBondContact O-N 2.8Å; R682-Y684 HydrophobicContact CB-CE2 4.28Å; R682-Y684 WeakPolarHBondContact CD-OH 3.4Å; R682-Y684 HydrophobicContact CG-CD2 4.43Å; R682-Y684 HydrophobicContact CG-CE1 4.3Å; R682-Y684 HydrophobicContact CG-CE2 3.83Å |
| 683 | V | 96.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.9 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | S555 S556 L586 V597 W598 V599 F689 F691 | S555-V683 WeakPolarHBondContact CA-O 3.17Å; S555-V683 WeakPolarHBondContact CB-O 3.42Å; S556-V683 PolarHBondContact N-O 3.23Å; S556-V683 VanDerWaalsContact N-O 3.11Å; S556-V683 PolarHBondContact O-N 3.22Å; L586-V683 HydrophobicContact CD1-CG1 4.01Å; L586-V683 HydrophobicContact CD1-CG2 4.3Å; L586-V683 HydrophobicContact CD2-CG1 4.46Å; V597-V683 HydrophobicContact CG1-CG1 3.92Å; W598-V683 CarbonylContact O-C 3.57Å; W598-V683 WeakPolarHBondContact O-CA 3.42Å; V599-V683 HydrophobicContact CG1-CG2 4.27Å; V599-V683 HydrophobicContact CG2-CG2 4.26Å; V683-F689 HydrophobicContact CB-CE2 3.85Å; V683-F689 HydrophobicContact CB-CZ 4.21Å; V683-F689 HydrophobicContact CG1-CD2 4.04Å; V683-F689 HydrophobicContact CG1-CE2 3.78Å; V683-F689 HydrophobicContact CG1-CZ 4.15Å; V683-F691 HydrophobicContact CG2-CB 4.42Å; V683-F691 HydrophobicContact CG2-CD1 3.81Å; V683-F691 HydrophobicContact CG2-CD2 3.9Å; V683-F691 HydrophobicContact CG2-CE1 3.97Å; V683-F691 HydrophobicContact CG2-CE2 4.07Å; V683-F691 HydrophobicContact CG2-CG 3.78Å; V683-F691 HydrophobicContact CG2-CZ 4.1Å |
| 684 | Y | 95.9 | Very high | 89.8 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.6 | 174.6 | -58.9 | -88.1 | 0 | 0 | 0 | 109.8 | I412 P549 F552 W598 L600 R682 | I412-Y684 HydrophobicContact CD1-CD1 3.81Å; I412-Y684 HydrophobicContact CD1-CD2 3.77Å; I412-Y684 HydrophobicContact CD1-CE1 3.82Å; I412-Y684 HydrophobicContact CD1-CE2 3.76Å; I412-Y684 HydrophobicContact CD1-CG 3.76Å; I412-Y684 HydrophobicContact CG1-CD2 4.3Å; I412-Y684 HydrophobicContact CG1-CE1 4.06Å; I412-Y684 HydrophobicContact CG1-CE2 3.78Å; I412-Y684 HydrophobicContact CG2-CE2 4.34Å; P549-Y684 HydrophobicContact CB-CE1 4.14Å; F552-Y684 HydrophobicContact CD2-CD1 4.21Å; F552-Y684 HydrophobicContact CD2-CG 4.18Å; W598-Y684 PolarHBondContact N-O 3.14Å; W598-Y684 PolarHBondContact O-N 3.42Å; L600-Y684 HydrophobicContact CB-CE2 3.99Å; L600-Y684 HydrophobicContact CD2-CE2 4.38Å; R682-Y684 HydrophobicContact CB-CE2 4.28Å; R682-Y684 WeakPolarHBondContact CD-OH 3.4Å; R682-Y684 HydrophobicContact CG-CD2 4.43Å; R682-Y684 HydrophobicContact CG-CE1 4.3Å; R682-Y684 HydrophobicContact CG-CE2 3.83Å |
| 685 | T | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 158.6 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 112 | K553 D554 A596 C687 F689 | K553-T685 PolarHBondContact N-O 2.78Å; D554-T685 PolarHBondContact N-O 3.07Å; D554-T685 VanDerWaalsContact N-O 3.16Å; D554-T685 PolarHBondContact O-N 3.37Å; D554-T685 VanDerWaalsContact O-N 3.14Å; A596-T685 PolarHBondContact O-OG1 2.83Å; T685-C687 VanDerWaalsContact C-N 3.31Å; T685-C687 WeakPolarHBondContact CG2-O 3.22Å; T685-C687 PolarHBondContact OG1-N 2.74Å; T685-F689 HydrophobicContact CG2-CB 4.2Å; T685-F689 HydrophobicContact CG2-CD1 3.16Å; T685-F689 HydrophobicContact CG2-CE1 3.62Å; T685-F689 HydrophobicContact CG2-CG 3.83Å |
| 686 | G | 88.8 | Confident | 91 | Very high | 37 Ų | 37 | 41.5 Ų | 41.5 | 38% | 0.381 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -88.3 | 2.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 687 | C | 90.4 | Very high | 91.2 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 14% | 0.135 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -123.2 | 161.5 | -172.4 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | V588 Q589 P591 T685 F689 | V588-C687 HydrophobicContact CG1-CB 4.48Å; Q589-C687 WeakPolarHBondContact O-CB 3.28Å; P591-C687 WeakPolarHBondContact CD-SG 3.16Å; T685-C687 VanDerWaalsContact C-N 3.31Å; T685-C687 WeakPolarHBondContact CG2-O 3.22Å; T685-C687 PolarHBondContact OG1-N 2.74Å; C687-F689 PolarHBondContact O-N 2.71Å |
| 688 | K | 91.9 | Very high | 91.4 | Very high | 152 Ų | 152 | 41.9 Ų | 41.9 | 66% | 0.661 | 24% | 0.236 | S | C | * | . | trans | -63.6 | 136.5 | 174.3 | -66.8 | -173.3 | 179.2 | -177.5 | 0 | 110.6 | Q589 | Q589-K688 HydrophobicContact CB-CB 4.46Å; Q589-K688 PolarHBondContact N-O 2.87Å | ||
| 689 | F | 94.7 | Very high | 91.4 | Very high | 40 Ų | 40 | 45 Ų | 45 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 158.7 | 177.9 | 73.8 | -79.6 | 0 | 0 | 0 | 111.9 | D554 L586 E587 V588 V683 T685 C687 F691 | D554-F689 HydrophobicContact CB-CD1 4.35Å; D554-F689 HydrophobicContact CB-CE1 3.77Å; L586-F689 HydrophobicContact CD1-CB 4.41Å; L586-F689 HydrophobicContact CD1-CD2 3.86Å; E587-F689 CarbonylContact O-C 3.53Å; E587-F689 WeakPolarHBondContact O-CA 3.41Å; E587-F689 VanDerWaalsContact O-CB 3.31Å; E587-F689 WeakPolarHBondContact O-CB 3.43Å; V588-F689 HydrophobicContact CG2-CB 4.1Å; V683-F689 HydrophobicContact CB-CE2 3.85Å; V683-F689 HydrophobicContact CB-CZ 4.21Å; V683-F689 HydrophobicContact CG1-CD2 4.04Å; V683-F689 HydrophobicContact CG1-CE2 3.78Å; V683-F689 HydrophobicContact CG1-CZ 4.15Å; T685-F689 HydrophobicContact CG2-CB 4.2Å; T685-F689 HydrophobicContact CG2-CD1 3.16Å; T685-F689 HydrophobicContact CG2-CE1 3.62Å; T685-F689 HydrophobicContact CG2-CG 3.83Å; C687-F689 PolarHBondContact O-N 2.71Å; F689-F691 HydrophobicContact CD2-CB 3.83Å; F689-F691 HydrophobicContact CE2-CB 3.67Å |
| 690 | T | 94.9 | Very high | 91.2 | Very high | 90 Ų | 90 | 48.7 Ų | 48.7 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.9 | 169.5 | -53.8 | 0 | 0 | 0 | 0 | 108 | L586 E587 | L586-T690 WeakPolarHBondContact CA-O 3.42Å; E587-T690 PolarHBondContact N-O 2.94Å; E587-T690 PolarHBondContact O-N 2.95Å |
| 691 | F | 94.8 | Very high | 91 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 10% | 0.096 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 120.2 | -179 | 174.3 | -126.3 | 0 | 0 | 0 | 109.7 | I558 Y584 K585 L586 L666 L681 V683 F689 | I558-F691 HydrophobicContact CB-CE1 4.16Å; I558-F691 HydrophobicContact CD1-CD1 3.92Å; I558-F691 HydrophobicContact CD1-CE1 3.56Å; I558-F691 HydrophobicContact CD1-CE2 4.46Å; I558-F691 HydrophobicContact CD1-CZ 3.85Å; I558-F691 HydrophobicContact CG1-CD1 4.16Å; I558-F691 HydrophobicContact CG1-CE1 3.66Å; I558-F691 HydrophobicContact CG1-CZ 4.3Å; Y584-F691 HydrophobicContact CD1-CE2 4.01Å; Y584-F691 HydrophobicContact CD1-CZ 4.05Å; Y584-F691 AromaticContact CG-CE2 3.98Å; Y584-F691 HydrophobicContact CG-CE2 3.98Å; Y584-F691 HydrophobicContact CG-CZ 4.29Å; K585-F691 WeakPolarHBondContact O-CA 3.42Å; L586-F691 HydrophobicContact CB-CD2 4.43Å; L586-F691 HydrophobicContact CD1-CB 4.23Å; L586-F691 HydrophobicContact CD1-CD2 4.47Å; L666-F691 HydrophobicContact CD1-CD2 4.49Å; L666-F691 HydrophobicContact CD1-CE2 3.95Å; L681-F691 HydrophobicContact CB-CZ 4.18Å; L681-F691 HydrophobicContact CD2-CE2 4.06Å; L681-F691 HydrophobicContact CD2-CZ 3.71Å; L681-F691 HydrophobicContact CG-CZ 3.87Å; V683-F691 HydrophobicContact CG2-CB 4.42Å; V683-F691 HydrophobicContact CG2-CD1 3.81Å; V683-F691 HydrophobicContact CG2-CD2 3.9Å; V683-F691 HydrophobicContact CG2-CE1 3.97Å; V683-F691 HydrophobicContact CG2-CE2 4.07Å; V683-F691 HydrophobicContact CG2-CG 3.78Å; V683-F691 HydrophobicContact CG2-CZ 4.1Å; F689-F691 HydrophobicContact CD2-CB 3.83Å; F689-F691 HydrophobicContact CE2-CB 3.67Å |
| 692 | A | 93.5 | Very high | 90.9 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 37% | 0.372 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 154.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y584 K585 | Y584-A692 CarbonylContact C-O 3.57Å; Y584-A692 VanDerWaalsContact CA-O 3.3Å; Y584-A692 WeakPolarHBondContact CA-O 3.48Å; K585-A692 PolarHBondContact N-O 3.32Å; K585-A692 PolarHBondContact O-N 3.41Å; K585-A692 VanDerWaalsContact O-N 3.08Å |
| 693 | K | 91.3 | Very high | 90.7 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 35% | 0.352 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 136.8 | 168.8 | -167.4 | 171.7 | -179.7 | 173.2 | 0 | 109 | E215 Y584 P695 | E215-K693 IonicContact OE1-NZ 2.63Å; E215-K693 PolarHBondContact OE1-NZ 3.18Å; E215-K693 IonicContact OE2-NZ 2.64Å; E215-K693 PolarHBondContact OE2-NZ 3.4Å; Y584-K693 HydrophobicContact CD1-CB 3.99Å; Y584-K693 HydrophobicContact CD1-CG 4.39Å; Y584-K693 HydrophobicContact CE1-CB 3.9Å; Y584-K693 HydrophobicContact CE1-CG 4.05Å; K693-P695 VanDerWaalsContact O-CD 3.3Å; K693-P695 WeakPolarHBondContact O-CD 3.41Å |
| 694 | I | 90.2 | Very high | 90.6 | Very high | 33 Ų | 33 | 63.1 Ų | 63.1 | 17% | 0.169 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -70 | 116.4 | 174.6 | -65.4 | 172.9 | 0 | 0 | 0 | 107.1 | Q583 K585 G627 T665 | Q583-I694 HydrophobicContact CB-CD1 3.86Å; Q583-I694 HydrophobicContact CB-CG1 4.5Å; Q583-I694 PolarHBondContact O-N 2.96Å; K585-I694 HydrophobicContact CB-CG1 4.02Å; G627-I694 WeakPolarHBondContact O-CD1 3.49Å; T665-I694 HydrophobicContact CG2-CD1 3.65Å |
| 695 | P | 82.3 | Confident | 90.5 | Very high | 106 Ų | 106 | 68.5 Ų | 68.5 | 69% | 0.688 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 150.9 | -178.9 | 29.3 | -34.2 | 0 | 0 | 0 | 110.2 | K693 P697 | K693-P695 VanDerWaalsContact O-CD 3.3Å; K693-P695 WeakPolarHBondContact O-CD 3.41Å; P695-P697 VanDerWaalsContact O-CD 3.3Å; P695-P697 WeakPolarHBondContact O-CD 3.44Å |
| 696 | N | 81.1 | Confident | 90.5 | Very high | 106 Ų | 106 | 69.1 Ų | 69.1 | 57% | 0.567 | 38% | 0.38 | S | S | * | . | trans | -84.3 | 110 | 164.2 | -176.8 | 6.7 | 0 | 0 | 0 | 108 | F698 | N696-F698 PolarHBondContact O-N 3.39Å; N696-F698 WeakPolarHBondContact OD1-CD2 3.49Å; N696-F698 PolarHBondContact OD1-N 3.18Å | ||
| 697 | P | 82 | Confident | 90.8 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | trans | -72.1 | -17.4 | -178 | 30.8 | -35.5 | 0 | 0 | 0 | 112.5 | P695 T699 T816 | P695-P697 VanDerWaalsContact O-CD 3.3Å; P695-P697 WeakPolarHBondContact O-CD 3.44Å; P697-T699 PolarHBondContact O-N 3.43Å; P697-T816 VanDerWaalsContact O-CG2 3.3Å; P697-T816 WeakPolarHBondContact O-CG2 3.47Å | ||
| 698 | F | 87.6 | Confident | 91 | Very high | 14 Ų | 14 | 71.9 Ų | 71.9 | 6% | 0.061 | 38% | 0.381 | C | S | . | . | trans | -83.8 | 118.4 | -172.9 | -52.5 | -67.2 | 0 | 0 | 0 | 111.9 | N696 P738 L740 A814 | N696-F698 PolarHBondContact O-N 3.39Å; N696-F698 WeakPolarHBondContact OD1-CD2 3.49Å; N696-F698 PolarHBondContact OD1-N 3.18Å; F698-P738 HydrophobicContact CE1-CB 4.1Å; F698-L740 HydrophobicContact CD2-CB 4.24Å; F698-L740 HydrophobicContact CD2-CD2 4.08Å; F698-L740 HydrophobicContact CE1-CB 3.97Å; F698-L740 HydrophobicContact CE2-CB 3.55Å; F698-L740 HydrophobicContact CE2-CD2 3.65Å; F698-L740 HydrophobicContact CE2-CG 4.23Å; F698-L740 HydrophobicContact CZ-CB 3.39Å; F698-L740 HydrophobicContact CZ-CD2 4.37Å; F698-L740 HydrophobicContact CZ-CG 4.48Å; F698-A814 HydrophobicContact CB-CB 3.7Å; F698-A814 HydrophobicContact CD1-CB 4.13Å; F698-A814 WeakPolarHBondContact CD1-O 3.18Å; F698-A814 HydrophobicContact CD2-CB 3.92Å; F698-A814 HydrophobicContact CG-CB 3.63Å | ||
| 699 | T | 89.3 | Confident | 91 | Very high | 102 Ų | 102 | 70.7 Ų | 70.7 | 63% | 0.626 | 38% | 0.376 | S | S | * | . | trans | -94.8 | -22.6 | 180 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | P697 S815 T816 | P697-T699 PolarHBondContact O-N 3.43Å; T699-S815 PolarHBondContact N-O 3Å; T699-S815 VanDerWaalsContact N-O 3.14Å; T699-T816 PolarHBondContact OG1-O 2.77Å; T699-T816 VanDerWaalsContact OG1-O 3.13Å | ||
| 700 | H | 89.9 | Confident | 90.9 | Very high | 76 Ų | 76 | 70.8 Ų | 70.8 | 35% | 0.352 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.4 | 179.1 | -63.4 | -78 | 0 | 0 | 0 | 109.8 | A814 S815 | H700-A814 CarbonylContact O-C 3.55Å; H700-A814 WeakPolarHBondContact O-CA 2.84Å; H700-S815 PolarHBondContact N-O 3.21Å; H700-S815 PolarHBondContact O-N 2.79Å |
| 701 | T | 91.2 | Very high | 90.7 | Very high | 105 Ų | 105 | 72.3 Ų | 72.3 | 64% | 0.644 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144.1 | 176.3 | 59.7 | 0 | 0 | 0 | 0 | 111.1 | F813 A814 | T701-F813 CarbonylContact C-O 3.55Å; T701-F813 WeakPolarHBondContact CA-O 3.11Å; T701-A814 HydrophobicContact CG2-CB 3.87Å |
| 702 | K | 92.9 | Very high | 90.5 | Very high | 101 Ų | 101 | 72.4 Ų | 72.4 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 117.3 | 174.4 | -174.7 | 67.8 | 176.6 | -177 | 0 | 109.5 | I704 F813 L819 V821 | K702-I704 HydrophobicContact CG-CD1 4.24Å; K702-F813 PolarHBondContact N-O 3.39Å; K702-F813 PolarHBondContact O-N 3.23Å; K702-L819 HydrophobicContact CB-CD1 3.88Å; K702-V821 HydrophobicContact CB-CG2 4.14Å; K702-V821 HydrophobicContact CG-CB 4.24Å; K702-V821 HydrophobicContact CG-CG2 3.79Å |
| 703 | R | 92.8 | Very high | 90.5 | Very high | 91 Ų | 91 | 70.4 Ų | 70.4 | 34% | 0.343 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 135.3 | 170.3 | 179.5 | 163.4 | -72.7 | 154.4 | 6.7 | 110.6 | D812 | R703-D812 WeakPolarHBondContact CA-OD1 3.12Å; R703-D812 WeakPolarHBondContact CB-OD1 3.38Å; R703-D812 WeakPolarHBondContact CD-OD1 3.36Å; R703-D812 WeakPolarHBondContact CG-OD1 3.23Å; R703-D812 IonicContact CZ-OD1 2.79Å; R703-D812 IonicContact CZ-OD2 3.81Å; R703-D812 IonicContact NE-OD1 2.63Å; R703-D812 PolarHBondContact NE-OD1 3.39Å; R703-D812 IonicContact NE-OD2 3.22Å; R703-D812 PolarHBondContact NE-OD2 3.39Å; R703-D812 IonicContact NH2-OD1 2.93Å; R703-D812 PolarHBondContact NH2-OD1 3.35Å; R703-D812 IonicContact NH2-OD2 2.93Å; R703-D812 PolarHBondContact NH2-OD2 2.91Å |
| 704 | I | 94.1 | Very high | 90.6 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.9 | 169.6 | -57.4 | -61.9 | 0 | 0 | 0 | 109 | K702 Y729 F810 L811 F813 V821 | K702-I704 HydrophobicContact CG-CD1 4.24Å; I704-Y729 HydrophobicContact CG2-CD1 3.99Å; I704-Y729 HydrophobicContact CG2-CE1 3.45Å; I704-Y729 VanDerWaalsContact CG2-CE1 3.45Å; I704-F810 WeakPolarHBondContact O-CA 3.01Å; I704-L811 HydrophobicContact CB-CB 4.39Å; I704-L811 PolarHBondContact N-O 2.86Å; I704-L811 PolarHBondContact O-N 3.09Å; I704-F813 HydrophobicContact CG1-CD2 4.47Å; I704-F813 HydrophobicContact CG1-CE2 4.11Å; I704-V821 HydrophobicContact CD1-CB 4.27Å; I704-V821 HydrophobicContact CD1-CG1 4Å; I704-V821 HydrophobicContact CG1-CG1 3.93Å |
| 705 | N | 93.9 | Very high | 90.6 | Very high | 120 Ų | 120 | 65 Ų | 65 | 64% | 0.642 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 104.4 | 174.5 | -58.1 | -12.8 | 0 | 0 | 0 | 107.7 | F810 | N705-F810 HydrophobicContact CB-CD1 4.47Å; N705-F810 HydrophobicContact CB-CE1 4.46Å; N705-F810 WeakPolarHBondContact OD1-CD1 3.33Å; N705-F810 WeakPolarHBondContact OD1-CE1 3.3Å |
| 706 | G | 92.9 | Very high | 91.1 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P808 F809 | G706-P808 WeakPolarHBondContact O-CA 3.44Å; G706-F809 PolarHBondContact N-O 3.29Å; G706-F809 PolarHBondContact O-N 2.99Å |
| 707 | Q | 94.3 | Very high | 91.5 | Very high | 114 Ų | 114 | 56.8 Ų | 56.8 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 146.5 | 173.5 | 63.5 | -175.5 | -4.1 | 0 | 0 | 111.2 | K709 G807 F809 | Q707-K709 HydrophobicContact CG-CB 4.45Å; Q707-G807 WeakPolarHBondContact CA-O 3.38Å; Q707-F809 VanDerWaalsContact C-CE1 3.47Å; Q707-F809 VanDerWaalsContact N-CE1 3.26Å |
| 708 | W | 94.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.4 | 162.6 | -57.7 | -71.5 | 0 | 0 | 0 | 108 | A713 L743 V751 P798 T800 E806 G807 F809 | W708-A713 HydrophobicContact CB-CB 4.12Å; W708-L743 HydrophobicContact CH2-CD1 4.31Å; W708-L743 HydrophobicContact CH2-CD2 4.4Å; W708-L743 HydrophobicContact CZ2-CD1 4.36Å; W708-L743 HydrophobicContact CZ2-CD2 4.24Å; W708-V751 HydrophobicContact CH2-CB 4.27Å; W708-V751 HydrophobicContact CH2-CG1 3.62Å; W708-V751 HydrophobicContact CZ3-CG1 4.04Å; W708-P798 HydrophobicContact CZ2-CB 4.15Å; W708-P798 PolarHBondContact NE1-O 2.88Å; W708-T800 HydrophobicContact CD2-CG2 3.81Å; W708-T800 HydrophobicContact CE3-CG2 3.72Å; W708-T800 HydrophobicContact CG-CG2 4.37Å; W708-T800 HydrophobicContact CH2-CG2 4.28Å; W708-T800 HydrophobicContact CZ2-CG2 4.36Å; W708-T800 HydrophobicContact CZ3-CG2 3.97Å; W708-E806 CarbonylContact O-C 3.53Å; W708-E806 WeakPolarHBondContact O-CA 3.27Å; W708-E806 WeakPolarHBondContact O-CB 3.1Å; W708-G807 PolarHBondContact N-O 3.42Å; W708-G807 PolarHBondContact O-N 3.12Å; W708-F809 AromaticContact CD2-CD1 3.57Å; W708-F809 HydrophobicContact CD2-CD1 3.57Å; W708-F809 AromaticContact CD2-CE1 3.96Å; W708-F809 HydrophobicContact CD2-CE1 3.96Å; W708-F809 AromaticContact CE2-CD1 3.52Å; W708-F809 AromaticContact CE2-CE1 3.74Å; W708-F809 HydrophobicContact CE3-CB 4.36Å; W708-F809 AromaticContact CE3-CD1 3.72Å; W708-F809 HydrophobicContact CE3-CD1 3.72Å; W708-F809 HydrophobicContact CE3-CG 4.48Å; W708-F809 HydrophobicContact CG-CD1 4.22Å; W708-F809 HydrophobicContact CG-CE1 4.2Å; W708-F809 HydrophobicContact CH2-CB 3.6Å; W708-F809 AromaticContact CH2-CD1 3.82Å; W708-F809 HydrophobicContact CH2-CD1 3.82Å; W708-F809 AromaticContact CH2-CG 3.91Å; W708-F809 HydrophobicContact CH2-CG 3.91Å; W708-F809 HydrophobicContact CZ2-CB 4.21Å; W708-F809 AromaticContact CZ2-CD1 3.67Å; W708-F809 HydrophobicContact CZ2-CD1 3.67Å; W708-F809 HydrophobicContact CZ2-CE1 4.18Å; W708-F809 HydrophobicContact CZ2-CG 4Å; W708-F809 HydrophobicContact CZ3-CB 3.69Å; W708-F809 AromaticContact CZ3-CD1 3.85Å; W708-F809 HydrophobicContact CZ3-CD1 3.85Å; W708-F809 HydrophobicContact CZ3-CG 4.16Å; W708-F809 AromaticContact NE1-CE1 3.82Å |
| 709 | K | 93.1 | Very high | 92.1 | Very high | 127 Ų | 127 | 63.2 Ų | 63.2 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | trans | -148.6 | 132.4 | -178.3 | -170.3 | 175.7 | -177.7 | 177.9 | 0 | 112.3 | Q707 V711 S712 | Q707-K709 HydrophobicContact CG-CB 4.45Å; K709-V711 PolarHBondContact O-N 3.06Å; K709-S712 PolarHBondContact N-OG 3.44Å; K709-S712 PolarHBondContact O-N 2.97Å; K709-S712 VanDerWaalsContact O-N 3.13Å; K709-S712 PolarHBondContact O-OG 3.45Å | ||
| 710 | G | 92.3 | Very high | 92.1 | Very high | 42 Ų | 42 | 66.6 Ų | 66.6 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | 56.3 | -122.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S712 A713 E806 | G710-S712 PolarHBondContact O-N 2.87Å; G710-A713 PolarHBondContact O-N 2.83Å; G710-E806 WeakPolarHBondContact CA-OE1 3.44Å; G710-E806 PolarHBondContact N-OE1 3.05Å |
| 711 | V | 91.3 | Very high | 92.1 | Very high | 122 Ų | 122 | 69.6 Ų | 69.6 | 74% | 0.739 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -63.4 | -25.4 | -178.8 | -62 | 0 | 0 | 0 | 0 | 113.5 | K709 A713 N725 | K709-V711 PolarHBondContact O-N 3.06Å; V711-A713 VanDerWaalsContact C-N 3.27Å; V711-A713 PolarHBondContact O-N 3Å; V711-N725 WeakPolarHBondContact O-CB 3.27Å |
| 712 | S | 90.4 | Very high | 92.1 | Very high | 23 Ų | 23 | 66 Ų | 66 | 16% | 0.161 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -77.7 | -8.3 | 179.7 | 67.5 | 0 | 0 | 0 | 0 | 114.2 | K709 G710 G714 N725 N726 P727 | K709-S712 PolarHBondContact N-OG 3.44Å; K709-S712 PolarHBondContact O-N 2.97Å; K709-S712 VanDerWaalsContact O-N 3.13Å; K709-S712 PolarHBondContact O-OG 3.45Å; G710-S712 PolarHBondContact O-N 2.87Å; S712-G714 PolarHBondContact O-N 2.74Å; S712-N725 WeakPolarHBondContact CA-O 3.35Å; S712-N726 PolarHBondContact O-OD1 3.45Å; S712-P727 WeakPolarHBondContact O-CD 3.44Å |
| 713 | A | 93.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.033 | 34% | 0.335 | C | S | . | . | trans | -82.9 | 62.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | W708 G710 V711 P803 K804 E806 | W708-A713 HydrophobicContact CB-CB 4.12Å; G710-A713 PolarHBondContact O-N 2.83Å; V711-A713 VanDerWaalsContact C-N 3.27Å; V711-A713 PolarHBondContact O-N 3Å; A713-P803 CarbonylContact O-C 3.48Å; A713-P803 WeakPolarHBondContact O-CA 3.46Å; A713-K804 PolarHBondContact O-N 3.26Å; A713-E806 HydrophobicContact CB-CG 4.21Å | ||
| 714 | G | 91.9 | Very high | 92 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | trans | -78.7 | -15.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S712 S722 N726 | S712-G714 PolarHBondContact O-N 2.74Å; G714-S722 VanDerWaalsContact CA-O 3.23Å; G714-S722 WeakPolarHBondContact CA-O 3.45Å; G714-S722 CarbonylContact O-C 3.59Å; G714-S722 WeakPolarHBondContact O-CB 3.4Å; G714-S722 PolarHBondContact O-OG 2.98Å; G714-N726 WeakPolarHBondContact CA-OD1 3.47Å; G714-N726 PolarHBondContact N-OD1 3.05Å | ||
| 715 | G | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | 76.9 | -175.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y723 N726 T800 | G715-Y723 WeakPolarHBondContact O-CD2 3.1Å; G715-N726 PolarHBondContact O-ND2 3.12Å; G715-T800 CarbonylContact C-O 3.56Å; G715-T800 VanDerWaalsContact CA-O 3.3Å; G715-T800 WeakPolarHBondContact CA-O 3.28Å | ||
| 716 | C | 92.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.02 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -74.5 | 173.2 | -177.6 | 70.5 | 0 | 0 | 0 | 0 | 113.3 | N718 Y719 Y723 Y777 T800 F801 | C716-N718 PolarHBondContact O-N 3.22Å; C716-Y719 PolarHBondContact O-N 3.32Å; C716-Y723 VanDerWaalsContact C-CD2 3.49Å; C716-Y777 HydrophobicContact CB-CE1 3.95Å; C716-Y777 HydrophobicContact CB-CE2 3.88Å; C716-Y777 WeakPolarHBondContact CB-OH 3.3Å; C716-T800 PolarHBondContact N-O 2.82Å; C716-F801 PolarHBondContact N-O 3.46Å; C716-F801 PolarHBondContact SG-O 2.92Å |
| 717 | G | 88.6 | Confident | 92 | Very high | 35 Ų | 35 | 60.6 Ų | 60.6 | 36% | 0.361 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -12.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y719 | G717-Y719 PolarHBondContact O-N 3.43Š|
| 718 | N | 91.4 | Very high | 92.1 | Very high | 130 Ų | 130 | 56.9 Ų | 56.9 | 70% | 0.695 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.9 | 172.4 | -64.7 | -20.2 | 0 | 0 | 0 | 112.5 | C716 | C716-N718 PolarHBondContact O-N 3.22Š|
| 719 | Y | 92.2 | Very high | 92.2 | Very high | 88 Ų | 88 | 57.1 Ų | 57.1 | 35% | 0.345 | 30% | 0.303 | S | S | . | . | trans | -104.2 | 69.6 | -178.2 | -58.6 | -82.2 | 0 | 0 | 0 | 111.3 | C716 G717 D721 S722 Y723 F801 L802 P803 | C716-Y719 PolarHBondContact O-N 3.32Å; G717-Y719 PolarHBondContact O-N 3.43Å; Y719-D721 PolarHBondContact O-N 3.26Å; Y719-D721 VanDerWaalsContact O-N 3.09Å; Y719-S722 WeakPolarHBondContact CB-OG 3.43Å; Y719-S722 PolarHBondContact O-N 3.13Å; Y719-S722 VanDerWaalsContact O-N 3.12Å; Y719-S722 PolarHBondContact O-OG 2.71Å; Y719-Y723 VanDerWaalsContact O-CB 3.24Å; Y719-Y723 WeakPolarHBondContact O-CB 3.21Å; Y719-Y723 PolarHBondContact O-N 3.2Å; Y719-F801 WeakPolarHBondContact CE2-O 3.42Å; Y719-L802 HydrophobicContact CE2-CD2 4.38Å; Y719-L802 VanDerWaalsContact OH-CD2 3.25Å; Y719-L802 WeakPolarHBondContact OH-CD2 3.24Å; Y719-P803 HydrophobicContact CD1-CG 4.15Å; Y719-P803 HydrophobicContact CD2-CG 4.5Å; Y719-P803 HydrophobicContact CE1-CG 4.27Å; Y719-P803 HydrophobicContact CG-CG 4.27Å | ||
| 720 | K | 89.4 | Confident | 92.3 | Very high | 173 Ų | 173 | 53.2 Ų | 53.2 | 75% | 0.752 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -52.3 | -36.8 | -171.2 | -65.3 | -176.7 | -178.9 | 178.5 | 0 | 114.6 | ||
| 721 | D | 89.4 | Confident | 92.4 | Very high | 139 Ų | 139 | 51.3 Ų | 51.3 | 74% | 0.743 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -69.5 | -34.5 | -176.5 | -63 | -37 | 0 | 0 | 0 | 113.2 | Y719 K724 | Y719-D721 PolarHBondContact O-N 3.26Å; Y719-D721 VanDerWaalsContact O-N 3.09Å; D721-K724 VanDerWaalsContact O-CE 3.27Å; D721-K724 WeakPolarHBondContact O-CE 3.3Å |
| 722 | S | 91.4 | Very high | 92.5 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 22% | 0.217 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -101.7 | -22.5 | -178.8 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | G714 Y719 K724 N725 | G714-S722 VanDerWaalsContact CA-O 3.23Å; G714-S722 WeakPolarHBondContact CA-O 3.45Å; G714-S722 CarbonylContact O-C 3.59Å; G714-S722 WeakPolarHBondContact O-CB 3.4Å; G714-S722 PolarHBondContact O-OG 2.98Å; Y719-S722 WeakPolarHBondContact CB-OG 3.43Å; Y719-S722 PolarHBondContact O-N 3.13Å; Y719-S722 VanDerWaalsContact O-N 3.12Å; Y719-S722 PolarHBondContact O-OG 2.71Å; S722-K724 VanDerWaalsContact C-N 3.29Å; S722-K724 PolarHBondContact O-N 2.94Å; S722-N725 WeakPolarHBondContact O-CB 3.4Å; S722-N725 PolarHBondContact O-N 3.46Å |
| 723 | Y | 91.8 | Very high | 92.5 | Very high | 43 Ų | 43 | 47.3 Ų | 47.3 | 17% | 0.169 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -39.8 | -177 | 177 | -95.9 | 0 | 0 | 0 | 113.1 | G715 C716 Y719 N725 N726 E754 T797 T799 | G715-Y723 WeakPolarHBondContact O-CD2 3.1Å; C716-Y723 VanDerWaalsContact C-CD2 3.49Å; Y719-Y723 VanDerWaalsContact O-CB 3.24Å; Y719-Y723 WeakPolarHBondContact O-CB 3.21Å; Y719-Y723 PolarHBondContact O-N 3.2Å; Y723-N725 PolarHBondContact O-N 3.05Å; Y723-N726 WeakPolarHBondContact CA-ND2 3.33Å; Y723-N726 WeakPolarHBondContact O-CB 3.22Å; Y723-N726 PolarHBondContact O-N 3.36Å; Y723-N726 VanDerWaalsContact O-N 3.07Å; Y723-N726 PolarHBondContact O-ND2 3.26Å; Y723-E754 VanDerWaalsContact OH-CD 3.27Å; Y723-E754 PolarHBondContact OH-OE1 3.5Å; Y723-E754 PolarHBondContact OH-OE2 3.16Å; Y723-T797 HydrophobicContact CE2-CG2 4.47Å; Y723-T799 HydrophobicContact CD2-CG2 4.32Å; Y723-T799 HydrophobicContact CE2-CG2 3.83Å |
| 724 | K | 90.8 | Very high | 92.3 | Very high | 137 Ų | 137 | 51.7 Ų | 51.7 | 60% | 0.596 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.8 | 178 | 67 | -173.8 | -179.3 | -172.2 | 0 | 114 | D721 S722 Q825 | D721-K724 VanDerWaalsContact O-CE 3.27Å; D721-K724 WeakPolarHBondContact O-CE 3.3Å; S722-K724 VanDerWaalsContact C-N 3.29Å; S722-K724 PolarHBondContact O-N 2.94Å; K724-Q825 PolarHBondContact O-NE2 3.34Å |
| 725 | N | 93.1 | Very high | 92.2 | Very high | 56 Ų | 56 | 60 Ų | 60 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -11.3 | -179.8 | -56.5 | -33.2 | 0 | 0 | 0 | 112.7 | V711 S712 S722 Y723 Q825 | V711-N725 WeakPolarHBondContact O-CB 3.27Å; S712-N725 WeakPolarHBondContact CA-O 3.35Å; S722-N725 WeakPolarHBondContact O-CB 3.4Å; S722-N725 PolarHBondContact O-N 3.46Å; Y723-N725 PolarHBondContact O-N 3.05Å; N725-Q825 VanDerWaalsContact C-NE2 3.33Å; N725-Q825 VanDerWaalsContact CA-NE2 3.31Å; N725-Q825 PolarHBondContact O-NE2 3.14Å |
| 726 | N | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -59.3 | 153.2 | 179.6 | -74.7 | -62.7 | 0 | 0 | 0 | 111.6 | S712 G714 G715 Y723 T797 T799 | S712-N726 PolarHBondContact O-OD1 3.45Å; G714-N726 WeakPolarHBondContact CA-OD1 3.47Å; G714-N726 PolarHBondContact N-OD1 3.05Å; G715-N726 PolarHBondContact O-ND2 3.12Å; Y723-N726 WeakPolarHBondContact CA-ND2 3.33Å; Y723-N726 WeakPolarHBondContact O-CB 3.22Å; Y723-N726 PolarHBondContact O-N 3.36Å; Y723-N726 VanDerWaalsContact O-N 3.07Å; Y723-N726 PolarHBondContact O-ND2 3.26Å; N726-T797 HydrophobicContact CB-CG2 3.68Å; N726-T799 HydrophobicContact CB-CG2 4.2Å |
| 727 | P | 95 | Very high | 91.9 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.019 | 31% | 0.311 | C | S | . | . | trans | -58.9 | 142.8 | 174.5 | -21.8 | 33.5 | 0 | 0 | 0 | 111.4 | S712 Y729 P798 F809 Q825 | S712-P727 WeakPolarHBondContact O-CD 3.44Å; P727-Y729 HydrophobicContact CB-CE2 3.83Å; P727-P798 WeakPolarHBondContact O-CD 3.27Å; P727-F809 HydrophobicContact CB-CZ 4.42Å; P727-F809 HydrophobicContact CG-CE1 4.34Å; P727-F809 HydrophobicContact CG-CZ 4.34Å; P727-Q825 VanDerWaalsContact CA-O 3.29Å; P727-Q825 WeakPolarHBondContact CA-O 3.26Å | ||
| 728 | I | 95.6 | Very high | 92.1 | Very high | 36 Ų | 36 | 63 Ų | 63 | 19% | 0.185 | 31% | 0.305 | C | S | . | . | trans | -127.9 | 124.9 | 178.6 | -55.4 | 178.2 | 0 | 0 | 0 | 109 | N795 T797 L824 Q825 | I728-N795 HydrophobicContact CG2-CB 3.87Å; I728-T797 HydrophobicContact CG1-CG2 4.38Å; I728-L824 HydrophobicContact CB-CB 4.38Å; I728-L824 HydrophobicContact CG2-CB 4.45Å; I728-L824 HydrophobicContact CG2-CD1 4.16Å; I728-L824 PolarHBondContact O-N 3.21Å; I728-Q825 HydrophobicContact CB-CB 4.21Å; I728-Q825 HydrophobicContact CG1-CB 4.3Å; I728-Q825 PolarHBondContact N-O 3.41Å; I728-Q825 PolarHBondContact O-N 3Å | ||
| 729 | Y | 95.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 56.8 Ų | 56.8 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.7 | 176.8 | -61.2 | -84.3 | 0 | 0 | 0 | 109.8 | I704 P727 N795 V796 P798 F809 L811 Q823 | I704-Y729 HydrophobicContact CG2-CD1 3.99Å; I704-Y729 HydrophobicContact CG2-CE1 3.45Å; I704-Y729 VanDerWaalsContact CG2-CE1 3.45Å; P727-Y729 HydrophobicContact CB-CE2 3.83Å; Y729-N795 CarbonylContact O-C 3.58Å; Y729-N795 WeakPolarHBondContact O-CA 3.37Å; Y729-V796 PolarHBondContact N-O 2.85Å; Y729-V796 PolarHBondContact O-N 3.13Å; Y729-P798 HydrophobicContact CD2-CG 3.98Å; Y729-P798 HydrophobicContact CE2-CG 3.74Å; Y729-F809 AromaticContact CE2-CE2 3.94Å; Y729-F809 HydrophobicContact CE2-CE2 3.94Å; Y729-F809 AromaticContact CE2-CZ 3.82Å; Y729-F809 HydrophobicContact CE2-CZ 3.82Å; Y729-L811 HydrophobicContact CD2-CD2 3.74Å; Y729-L811 HydrophobicContact CE2-CD2 4.31Å; Y729-L811 HydrophobicContact CG-CD2 4.19Å; Y729-Q823 HydrophobicContact CD1-CB 3.92Å; Y729-Q823 HydrophobicContact CD1-CG 4.07Å; Y729-Q823 HydrophobicContact CE1-CB 3.8Å; Y729-Q823 HydrophobicContact CE1-CG 3.66Å |
| 730 | Q | 95.4 | Very high | 92.2 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 130.4 | 174.5 | -176.7 | 167.7 | 96 | 0 | 0 | 110 | I793 Y794 N795 V821 S822 L824 | Q730-I793 HydrophobicContact CG-CG2 3.41Å; Q730-I793 VanDerWaalsContact CG-CG2 3.41Å; Q730-Y794 CarbonylContact C-O 3.56Å; Q730-Y794 WeakPolarHBondContact CA-O 3.5Å; Q730-N795 WeakPolarHBondContact CG-OD1 3.25Å; Q730-N795 PolarHBondContact NE2-OD1 2.85Å; Q730-N795 VanDerWaalsContact NE2-OD1 3.15Å; Q730-V821 CarbonylContact O-C 3.51Å; Q730-V821 WeakPolarHBondContact O-CA 3.15Å; Q730-S822 PolarHBondContact N-O 3.2Å; Q730-S822 PolarHBondContact O-N 2.67Å; Q730-L824 HydrophobicContact CB-CD1 3.77Å; Q730-L824 HydrophobicContact CB-CD2 4.2Å; Q730-L824 HydrophobicContact CB-CG 3.77Å |
| 731 | I | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.5 | 172.2 | 69.5 | 172.2 | 0 | 0 | 0 | 109.7 | L733 L739 M755 I793 Y794 F813 K820 V821 | I731-L733 HydrophobicContact CD1-CD1 4.34Å; I731-L739 HydrophobicContact CD1-CD2 3.79Å; I731-M755 HydrophobicContact CD1-CE 3.83Å; I731-I793 WeakPolarHBondContact O-CA 3.44Å; I731-Y794 HydrophobicContact CD1-CD2 4.43Å; I731-Y794 HydrophobicContact CG1-CD2 4.2Å; I731-Y794 HydrophobicContact CG1-CG 4.38Å; I731-Y794 PolarHBondContact N-O 3.48Å; I731-Y794 PolarHBondContact O-N 2.98Å; I731-F813 HydrophobicContact CD1-CD1 4.49Å; I731-F813 HydrophobicContact CG2-CD1 3.85Å; I731-F813 HydrophobicContact CG2-CE1 3.53Å; I731-F813 HydrophobicContact CG2-CE2 4.32Å; I731-F813 HydrophobicContact CG2-CG 4.37Å; I731-F813 HydrophobicContact CG2-CZ 3.76Å; I731-K820 CarbonylContact C-O 3.53Å; I731-K820 VanDerWaalsContact CA-O 3.31Å; I731-K820 WeakPolarHBondContact CA-O 3.03Å; I731-V821 HydrophobicContact CG2-CG1 4.2Å; I731-V821 HydrophobicContact CG2-CG2 4Å |
| 732 | N | 93.8 | Very high | 92.7 | Very high | 61 Ų | 61 | 38.9 Ų | 38.9 | 33% | 0.326 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114 | 171.7 | -178.8 | -0.1 | 0 | 0 | 0 | 108.6 | L819 K820 | N732-L819 WeakPolarHBondContact O-CA 3.46Å; N732-K820 HydrophobicContact CB-CB 4.39Å; N732-K820 PolarHBondContact N-O 3.09Å; N732-K820 PolarHBondContact O-N 3.16Å; N732-K820 VanDerWaalsContact O-N 3.09Å |
| 733 | L | 91.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 112.5 | 176.4 | -86.8 | 159.4 | 0 | 0 | 0 | 109.3 | I731 R735 L739 V789 A791 G792 Y794 L819 | I731-L733 HydrophobicContact CD1-CD1 4.34Å; L733-R735 VanDerWaalsContact C-N 3.3Å; L733-R735 PolarHBondContact O-N 3.02Å; L733-L739 HydrophobicContact CD1-CD1 4.49Å; L733-L739 HydrophobicContact CD1-CD2 4.19Å; L733-V789 HydrophobicContact CD1-CB 4.14Å; L733-V789 HydrophobicContact CD1-CG1 3.62Å; L733-A791 WeakPolarHBondContact O-CA 3.26Å; L733-G792 PolarHBondContact N-O 3.35Å; L733-G792 PolarHBondContact O-N 3.2Å; L733-Y794 HydrophobicContact CB-CE2 4.4Å; L733-Y794 HydrophobicContact CD1-CD2 4.01Å; L733-Y794 HydrophobicContact CD1-CE2 3.81Å; L733-L819 HydrophobicContact CD2-CB 4.44Å |
| 734 | E | 89 | Confident | 92.8 | Very high | 95 Ų | 95 | 37.2 Ų | 37.2 | 44% | 0.444 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -70.5 | -27.2 | -176.5 | -64.6 | -175.5 | 174.7 | 0 | 0 | 113 | K820 | E734-K820 IonicContact OE1-NZ 2.7Š|
| 735 | R | 89.1 | Confident | 92.7 | Very high | 177 Ų | 177 | 31.5 Ų | 31.5 | 67% | 0.668 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -141 | 153.5 | -179.3 | -63.9 | -177.6 | -176.9 | -174.2 | -0.2 | 110.5 | L733 | L733-R735 VanDerWaalsContact C-N 3.3Å; L733-R735 PolarHBondContact O-N 3.02Å |
| 736 | S | 89.6 | Confident | 92.3 | Very high | 58 Ų | 58 | 30.7 Ų | 30.7 | 41% | 0.406 | 16% | 0.157 | S | C | . | . | trans | -71.9 | 139.3 | 176.1 | -46.4 | 0 | 0 | 0 | 0 | 111.2 | V789 P790 A791 | S736-V789 CarbonylContact C-O 3.59Å; S736-V789 WeakPolarHBondContact CA-O 3.4Å; S736-V789 WeakPolarHBondContact CB-O 3.21Å; S736-P790 WeakPolarHBondContact OG-CA 3.28Å; S736-A791 PolarHBondContact OG-N 2.93Å | ||
| 737 | G | 89.1 | Confident | 91.7 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -176.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | V789 | G737-V789 PolarHBondContact N-O 3.4Å; G737-V789 PolarHBondContact O-N 3.37Å |
| 738 | P | 91.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 145 | 179.8 | 26.6 | -36.4 | 0 | 0 | 0 | 112.3 | F698 L786 D787 S815 T816 | F698-P738 HydrophobicContact CE1-CB 4.1Å; P738-L786 CarbonylContact C-O 3.55Å; P738-L786 WeakPolarHBondContact CA-O 3.43Å; P738-D787 WeakPolarHBondContact CA-O 3.42Å; P738-D787 WeakPolarHBondContact CB-O 3.44Å; P738-S815 PolarHBondContact O-OG 3.49Å; P738-T816 WeakPolarHBondContact CD-OG1 3.26Å; P738-T816 HydrophobicContact CG-CG2 3.56Å |
| 739 | L | 92.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 129.7 | 177.9 | -179.1 | 72.3 | 0 | 0 | 0 | 109.8 | I731 L733 V741 M755 L786 V789 A814 | I731-L739 HydrophobicContact CD1-CD2 3.79Å; L733-L739 HydrophobicContact CD1-CD1 4.49Å; L733-L739 HydrophobicContact CD1-CD2 4.19Å; L739-V741 HydrophobicContact CD2-CG2 3.96Å; L739-V741 HydrophobicContact CG-CG2 4.04Å; L739-M755 HydrophobicContact CD2-CE 3.62Å; L739-M755 HydrophobicContact CD2-SD 3.94Å; L739-L786 PolarHBondContact N-O 3.48Å; L739-L786 PolarHBondContact O-N 3.37Å; L739-V789 HydrophobicContact CB-CB 4.36Å; L739-V789 HydrophobicContact CB-CG2 3.65Å; L739-V789 HydrophobicContact CD2-CG2 4.2Å; L739-A814 WeakPolarHBondContact CA-O 3.39Å |
| 740 | L | 94 | Very high | 90.8 | Very high | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.1 | 168.2 | 169.7 | 70.1 | 0 | 0 | 0 | 109.1 | Y631 F698 E742 Y783 M784 E785 A814 | Y631-L740 HydrophobicContact CE1-CD1 4.11Å; Y631-L740 HydrophobicContact CE1-CD2 4.3Å; Y631-L740 WeakPolarHBondContact OH-CD2 3.27Å; F698-L740 HydrophobicContact CD2-CB 4.24Å; F698-L740 HydrophobicContact CD2-CD2 4.08Å; F698-L740 HydrophobicContact CE1-CB 3.97Å; F698-L740 HydrophobicContact CE2-CB 3.55Å; F698-L740 HydrophobicContact CE2-CD2 3.65Å; F698-L740 HydrophobicContact CE2-CG 4.23Å; F698-L740 HydrophobicContact CZ-CB 3.39Å; F698-L740 HydrophobicContact CZ-CD2 4.37Å; F698-L740 HydrophobicContact CZ-CG 4.48Å; L740-E742 HydrophobicContact CD1-CG 4.07Å; L740-E742 HydrophobicContact CD2-CG 4.2Å; L740-E742 HydrophobicContact CG-CG 4.02Å; L740-Y783 HydrophobicContact CD1-CD2 3.96Å; L740-M784 WeakPolarHBondContact CA-O 3.5Å; L740-E785 HydrophobicContact CD1-CB 4.07Å; L740-A814 HydrophobicContact CB-CB 4.19Å; L740-A814 HydrophobicContact CD2-CB 4.45Å; L740-A814 PolarHBondContact N-O 2.8Å; L740-A814 PolarHBondContact O-N 3.2Å |
| 741 | V | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.7 | 172.6 | -172.7 | 0 | 0 | 0 | 0 | 108.2 | L739 F753 Y783 M784 V796 L811 D812 F813 | L739-V741 HydrophobicContact CD2-CG2 3.96Å; L739-V741 HydrophobicContact CG-CG2 4.04Å; V741-F753 HydrophobicContact CB-CE2 3.81Å; V741-F753 HydrophobicContact CB-CZ 3.66Å; V741-F753 HydrophobicContact CG1-CD2 4.27Å; V741-F753 HydrophobicContact CG1-CE1 4.19Å; V741-F753 HydrophobicContact CG1-CE2 3.69Å; V741-F753 HydrophobicContact CG1-CZ 3.63Å; V741-F753 WeakPolarHBondContact O-CZ 3.31Å; V741-Y783 CarbonylContact O-C 3.57Å; V741-Y783 WeakPolarHBondContact O-CA 3.12Å; V741-M784 HydrophobicContact CG2-CE 4.37Å; V741-M784 PolarHBondContact N-O 3.08Å; V741-M784 PolarHBondContact O-N 3.29Å; V741-V796 HydrophobicContact CG1-CG1 4.41Å; V741-L811 HydrophobicContact CG1-CD1 3.73Å; V741-D812 CarbonylContact C-O 3.59Å; V741-D812 WeakPolarHBondContact CA-O 3.17Å; V741-F813 HydrophobicContact CB-CD1 4.49Å; V741-F813 HydrophobicContact CG1-CD1 4.06Å; V741-F813 HydrophobicContact CG1-CE1 3.84Å; V741-F813 HydrophobicContact CG2-CD1 3.87Å; V741-F813 HydrophobicContact CG2-CE1 4.12Å |
| 742 | E | 93.8 | Very high | 90.7 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.065 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.5 | 176.3 | -55.8 | -175.7 | 143.5 | 0 | 0 | 110.2 | Y631 L740 R744 F781 L811 D812 | Y631-E742 WeakPolarHBondContact CE1-OE1 3.46Å; L740-E742 HydrophobicContact CD1-CG 4.07Å; L740-E742 HydrophobicContact CD2-CG 4.2Å; L740-E742 HydrophobicContact CG-CG 4.02Å; E742-R744 IonicContact OE2-CZ 3.85Å; E742-R744 IonicContact OE2-NE 2.58Å; E742-R744 IonicContact OE2-NH2 3.96Å; E742-R744 PolarHBondContact OE2-NH2 2.98Å; E742-F781 HydrophobicContact CB-CE2 4.08Å; E742-F781 HydrophobicContact CG-CE2 4.38Å; E742-L811 WeakPolarHBondContact O-CA 3.46Å; E742-D812 HydrophobicContact CB-CB 4.23Å; E742-D812 PolarHBondContact N-O 3.12Å; E742-D812 PolarHBondContact O-N 3.28Å |
| 743 | L | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.1 | 174 | 175.9 | 64.5 | 0 | 0 | 0 | 109.3 | W708 V751 F753 F781 C782 P798 F809 F810 L811 | W708-L743 HydrophobicContact CH2-CD1 4.31Å; W708-L743 HydrophobicContact CH2-CD2 4.4Å; W708-L743 HydrophobicContact CZ2-CD1 4.36Å; W708-L743 HydrophobicContact CZ2-CD2 4.24Å; L743-V751 HydrophobicContact CD2-CB 3.95Å; L743-V751 HydrophobicContact CD2-CG2 4.29Å; L743-V751 HydrophobicContact CG-CB 4.43Å; L743-V751 HydrophobicContact CG-CG2 4.36Å; L743-F753 HydrophobicContact CB-CD1 3.66Å; L743-F753 HydrophobicContact CB-CE1 4.02Å; L743-F753 HydrophobicContact CD2-CB 4.31Å; L743-F753 HydrophobicContact CD2-CD1 4.07Å; L743-F781 WeakPolarHBondContact O-CA 3.34Å; L743-C782 PolarHBondContact N-O 3.46Å; L743-C782 PolarHBondContact O-N 2.97Å; L743-P798 HydrophobicContact CD1-CB 3.87Å; L743-P798 HydrophobicContact CD2-CB 3.94Å; L743-F809 HydrophobicContact CD1-CB 3.97Å; L743-F809 HydrophobicContact CD1-CD2 3.72Å; L743-F809 HydrophobicContact CD1-CG 4.05Å; L743-F810 WeakPolarHBondContact CA-O 3.48Å; L743-L811 HydrophobicContact CB-CD1 4.15Å; L743-L811 HydrophobicContact CD1-CD1 4.22Å |
| 744 | R | 91.1 | Very high | 91 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.8 | 176.8 | -60.4 | 163.9 | -167.7 | -171.1 | 3.1 | 108.9 | E742 G780 F781 F809 F810 D812 | E742-R744 IonicContact OE2-CZ 3.85Å; E742-R744 IonicContact OE2-NE 2.58Å; E742-R744 IonicContact OE2-NH2 3.96Å; E742-R744 PolarHBondContact OE2-NH2 2.98Å; R744-G780 CarbonylContact C-O 3.51Å; R744-G780 WeakPolarHBondContact CA-O 3.27Å; R744-F781 HydrophobicContact CG-CD2 3.74Å; R744-F781 HydrophobicContact CG-CE2 4.2Å; R744-F809 CarbonylContact O-C 3.55Å; R744-F809 WeakPolarHBondContact O-CA 3.44Å; R744-F809 WeakPolarHBondContact O-CB 3.44Å; R744-F810 HydrophobicContact CB-CB 4.23Å; R744-F810 HydrophobicContact CB-CD2 4.41Å; R744-F810 PolarHBondContact N-O 2.87Å; R744-F810 PolarHBondContact O-N 2.97Å; R744-D812 IonicContact CZ-OD2 2.67Å; R744-D812 IonicContact NE-OD2 3.57Å; R744-D812 IonicContact NH1-OD2 3.6Å; R744-D812 IonicContact NH2-OD2 2.92Å |
| 745 | G | 88.4 | Confident | 91.3 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | trans | -134.3 | -172.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R747 G780 | G745-R747 PolarHBondContact O-N 2.87Å; G745-G780 PolarHBondContact N-O 3.43Å; G745-G780 WeakPolarHBondContact O-CA 3.22Å | ||
| 746 | S | 85.7 | Confident | 91.5 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 28% | 0.28 | 17% | 0.17 | S | C | . | . | trans | -58.7 | 137.2 | 173.1 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | Q748 Y749 | S746-Q748 PolarHBondContact O-N 3.48Å; S746-Q748 VanDerWaalsContact O-N 3.11Å; S746-Q748 PolarHBondContact OG-N 3.28Å; S746-Y749 PolarHBondContact O-N 2.97Å; S746-Y749 VanDerWaalsContact O-N 3.13Å | ||
| 747 | R | 80.6 | Confident | 91.7 | Very high | 150 Ų | 150 | 30.9 Ų | 30.9 | 57% | 0.566 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.7 | 176.6 | -66.6 | 179.8 | 70 | -172.5 | -2.1 | 113.6 | Y576 G745 Y749 | Y576-R747 HydrophobicContact CD1-CG 4.41Å; Y576-R747 HydrophobicContact CE1-CG 3.87Å; G745-R747 PolarHBondContact O-N 2.87Å; R747-Y749 PolarHBondContact O-N 2.84Å |
| 748 | Q | 86.6 | Confident | 91.8 | Very high | 155 Ų | 155 | 34.3 Ų | 34.3 | 72% | 0.724 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -17.4 | 178.6 | -62.8 | 178.8 | -3 | 0 | 0 | 112.5 | S746 | S746-Q748 PolarHBondContact O-N 3.48Å; S746-Q748 VanDerWaalsContact O-N 3.11Å; S746-Q748 PolarHBondContact OG-N 3.28Å |
| 749 | Y | 89.1 | Confident | 91.7 | Very high | 44 Ų | 44 | 35 Ų | 35 | 17% | 0.173 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -118 | 139.6 | -174.7 | -48.9 | -41.6 | 0 | 0 | 0 | 111 | S746 R747 C779 G780 T800 Q805 E806 | S746-Y749 PolarHBondContact O-N 2.97Å; S746-Y749 VanDerWaalsContact O-N 3.13Å; R747-Y749 PolarHBondContact O-N 2.84Å; Y749-C779 WeakPolarHBondContact O-CA 2.91Å; Y749-G780 PolarHBondContact O-N 2.84Å; Y749-T800 HydrophobicContact CD2-CG2 4.47Å; Y749-Q805 HydrophobicContact CD1-CB 3.86Å; Y749-Q805 VanDerWaalsContact CD1-CD 3.49Å; Y749-Q805 HydrophobicContact CD1-CG 3.81Å; Y749-Q805 HydrophobicContact CD2-CB 4.2Å; Y749-Q805 HydrophobicContact CE1-CB 3.97Å; Y749-Q805 HydrophobicContact CE1-CG 3.97Å; Y749-Q805 HydrophobicContact CE2-CB 4.29Å; Y749-Q805 HydrophobicContact CG-CB 4Å; Y749-Q805 HydrophobicContact CG-CG 4.37Å; Y749-E806 VanDerWaalsContact CE2-O 3.24Å; Y749-E806 WeakPolarHBondContact CE2-O 3.48Å; Y749-E806 PolarHBondContact OH-O 2.57Å |
| 750 | S | 92.3 | Very high | 91.4 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 120.5 | 165.3 | -53.1 | 0 | 0 | 0 | 0 | 108.3 | R778 T800 F801 | S750-R778 CarbonylContact C-O 3.47Å; S750-R778 WeakPolarHBondContact CA-O 3.18Å; S750-T800 CarbonylContact O-C 3.41Å; S750-T800 WeakPolarHBondContact O-CA 3.22Å; S750-F801 PolarHBondContact O-N 2.82Å |
| 751 | V | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 152 | -175.7 | -60.9 | 0 | 0 | 0 | 0 | 110.7 | W708 L743 Y777 R778 T799 | W708-V751 HydrophobicContact CH2-CB 4.27Å; W708-V751 HydrophobicContact CH2-CG1 3.62Å; W708-V751 HydrophobicContact CZ3-CG1 4.04Å; L743-V751 HydrophobicContact CD2-CB 3.95Å; L743-V751 HydrophobicContact CD2-CG2 4.29Å; L743-V751 HydrophobicContact CG-CB 4.43Å; L743-V751 HydrophobicContact CG-CG2 4.36Å; V751-Y777 VanDerWaalsContact C-CD1 3.43Å; V751-Y777 WeakPolarHBondContact O-CA 3.45Å; V751-R778 WeakPolarHBondContact CG2-O 3.43Å; V751-R778 PolarHBondContact N-O 3.05Å; V751-R778 PolarHBondContact O-N 2.72Å; V751-R778 VanDerWaalsContact O-N 3.15Å; V751-T799 WeakPolarHBondContact CA-O 3.29Å |
| 752 | G | 95.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 160.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S774 T799 | G752-S774 WeakPolarHBondContact CA-OG 3.49Å; G752-T799 PolarHBondContact N-O 3.41Å; G752-T799 CarbonylContact O-C 3.57Å; G752-T799 WeakPolarHBondContact O-CA 3.45Å; G752-T799 PolarHBondContact O-N 2.99Å; G752-T799 PolarHBondContact O-OG1 3.3Å |
| 753 | F | 96.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159.3 | 173.7 | 62.2 | -93.7 | 0 | 0 | 0 | 111.9 | V741 L743 N773 S774 M784 V796 T797 | V741-F753 HydrophobicContact CB-CE2 3.81Å; V741-F753 HydrophobicContact CB-CZ 3.66Å; V741-F753 HydrophobicContact CG1-CD2 4.27Å; V741-F753 HydrophobicContact CG1-CE1 4.19Å; V741-F753 HydrophobicContact CG1-CE2 3.69Å; V741-F753 HydrophobicContact CG1-CZ 3.63Å; V741-F753 WeakPolarHBondContact O-CZ 3.31Å; L743-F753 HydrophobicContact CB-CD1 3.66Å; L743-F753 HydrophobicContact CB-CE1 4.02Å; L743-F753 HydrophobicContact CD2-CB 4.31Å; L743-F753 HydrophobicContact CD2-CD1 4.07Å; F753-N773 WeakPolarHBondContact O-CA 3.28Å; F753-S774 PolarHBondContact N-OG 3.32Å; F753-S774 PolarHBondContact O-N 3.21Å; F753-M784 HydrophobicContact CE2-CB 3.75Å; F753-M784 HydrophobicContact CE2-CE 3.93Å; F753-M784 HydrophobicContact CE2-SD 4.25Å; F753-M784 HydrophobicContact CZ-CB 3.51Å; F753-V796 HydrophobicContact CB-CG1 4.32Å; F753-V796 HydrophobicContact CD2-CG1 3.94Å; F753-V796 HydrophobicContact CG-CG1 4.36Å; F753-T797 VanDerWaalsContact CA-O 3.28Å; F753-T797 WeakPolarHBondContact CA-O 3.49Å; F753-T797 WeakPolarHBondContact CB-O 3.3Å |
| 754 | E | 95.1 | Very high | 85.8 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.1 | 178 | -176.3 | 173 | 129.9 | 0 | 0 | 109.6 | Y723 V756 K771 V796 T797 | Y723-E754 VanDerWaalsContact OH-CD 3.27Å; Y723-E754 PolarHBondContact OH-OE1 3.5Å; Y723-E754 PolarHBondContact OH-OE2 3.16Å; E754-V756 HydrophobicContact CG-CG2 4.09Å; E754-K771 HydrophobicContact CG-CD 4.19Å; E754-K771 HydrophobicContact CG-CG 4.02Å; E754-K771 VanDerWaalsContact OE1-CD 3.32Å; E754-K771 WeakPolarHBondContact OE1-CD 3.26Å; E754-K771 WeakPolarHBondContact OE1-CE 3.48Å; E754-K771 IonicContact OE1-NZ 2.66Å; E754-K771 PolarHBondContact OE1-NZ 3.49Å; E754-K771 WeakPolarHBondContact OE2-CE 3.46Å; E754-K771 IonicContact OE2-NZ 3.23Å; E754-K771 PolarHBondContact OE2-NZ 3.41Å; E754-V796 CarbonylContact O-C 3.53Å; E754-V796 VanDerWaalsContact O-CA 3.28Å; E754-V796 WeakPolarHBondContact O-CA 3.42Å; E754-T797 PolarHBondContact N-O 3.2Å; E754-T797 VanDerWaalsContact N-O 3.16Å; E754-T797 PolarHBondContact O-N 3.25Å |
| 755 | M | 94.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.5 | 175.7 | -178.5 | 174.4 | 175.4 | 0 | 0 | 109.5 | I731 L739 F769 K771 N772 M784 L786 V789 Y794 N795 V796 | I731-M755 HydrophobicContact CD1-CE 3.83Å; L739-M755 HydrophobicContact CD2-CE 3.62Å; L739-M755 HydrophobicContact CD2-SD 3.94Å; M755-F769 HydrophobicContact CE-CZ 3.91Å; M755-F769 HydrophobicContact CG-CE2 4.22Å; M755-F769 HydrophobicContact CG-CZ 4.38Å; M755-F769 HydrophobicContact SD-CE2 4.45Å; M755-F769 HydrophobicContact SD-CZ 4.04Å; M755-K771 CarbonylContact O-C 3.55Å; M755-K771 WeakPolarHBondContact O-CA 3.41Å; M755-N772 PolarHBondContact N-O 3.35Å; M755-N772 PolarHBondContact O-N 2.8Å; M755-M784 HydrophobicContact CB-CE 3.85Å; M755-M784 HydrophobicContact CG-CE 4.31Å; M755-M784 HydrophobicContact SD-CE 3.43Å; M755-M784 WeakPolarHBondContact SD-CE 2.78Å; M755-L786 HydrophobicContact SD-CD1 4.48Å; M755-V789 HydrophobicContact CE-CG1 4.22Å; M755-Y794 VanDerWaalsContact CE-CB 3.42Å; M755-Y794 HydrophobicContact CE-CD1 3.38Å; M755-Y794 HydrophobicContact CE-CD2 3.88Å; M755-Y794 HydrophobicContact CE-CE1 4.08Å; M755-Y794 HydrophobicContact CE-CG 3.27Å; M755-N795 CarbonylContact C-O 3.53Å; M755-N795 VanDerWaalsContact CA-O 3.29Å; M755-N795 WeakPolarHBondContact CA-O 3.46Å; M755-V796 HydrophobicContact CB-CG2 4.15Å; M755-V796 HydrophobicContact CG-CG2 3.94Å; M755-V796 HydrophobicContact SD-CG2 4.44Å |
| 756 | V | 93.9 | Very high | 83.1 | Confident | 48 Ų | 48 | 62 Ų | 62 | 29% | 0.291 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.3 | -178.8 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | E754 K771 Y794 N795 | E754-V756 HydrophobicContact CG-CG2 4.09Å; V756-K771 HydrophobicContact CG2-CG 4.37Å; V756-Y794 CarbonylContact O-C 3.58Å; V756-Y794 VanDerWaalsContact O-CA 3.31Å; V756-Y794 WeakPolarHBondContact O-CA 3.26Å; V756-N795 PolarHBondContact N-O 2.92Å; V756-N795 PolarHBondContact O-N 2.86Å |
| 757 | T | 92.5 | Very high | 82.1 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 13% | 0.129 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.3 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | T760 F769 Q770 Y794 | T757-T760 HydrophobicContact CG2-CG2 3.61Å; T757-F769 WeakPolarHBondContact CB-O 3.27Å; T757-F769 PolarHBondContact OG1-O 3.33Å; T757-Q770 PolarHBondContact N-O 3.16Å; T757-Y794 HydrophobicContact CG2-CD1 4.15Å; T757-Y794 HydrophobicContact CG2-CE1 3.81Å; T757-Y794 WeakPolarHBondContact OG1-CD1 3.28Å; T757-Y794 VanDerWaalsContact OG1-CE1 3.31Å; T757-Y794 WeakPolarHBondContact OG1-CE1 3.43Å |
| 758 | V | 91.8 | Very high | 81.8 | Confident | 78 Ų | 78 | 57.4 Ų | 57.4 | 47% | 0.473 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -48 | 176.9 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | I793 N795 | V758-I793 WeakPolarHBondContact CA-O 3.49Å; V758-I793 HydrophobicContact CB-CB 4.19Å; V758-I793 HydrophobicContact CB-CG2 4Å; V758-I793 WeakPolarHBondContact CB-O 3.23Å; V758-I793 HydrophobicContact CG1-CG2 4.4Å; V758-I793 HydrophobicContact CG2-CG2 4.27Å; V758-I793 PolarHBondContact N-O 3.3Å; V758-N795 HydrophobicContact CG2-CB 4.26Å; V758-N795 VanDerWaalsContact CG2-CG 3.47Å; V758-N795 WeakPolarHBondContact CG2-ND2 3.25Å |
| 759 | S | 89.6 | Confident | 81.7 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 151.1 | 175.6 | 60.1 | 0 | 0 | 0 | 0 | 110.2 | G792 I793 | S759-G792 CarbonylContact O-C 3.59Å; S759-G792 VanDerWaalsContact O-CA 3.26Å; S759-G792 WeakPolarHBondContact O-CA 3.48Å; S759-I793 PolarHBondContact N-O 2.95Å; S759-I793 PolarHBondContact O-N 3.48Å |
| 760 | T | 85.6 | Confident | 81.6 | Confident | 58 Ų | 58 | 57 Ų | 57 | 36% | 0.356 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 150.6 | 172.6 | 52.7 | 0 | 0 | 0 | 0 | 109.4 | T757 P790 A791 | T757-T760 HydrophobicContact CG2-CG2 3.61Å; T760-P790 HydrophobicContact CG2-CB 4.09Å; T760-A791 CarbonylContact C-O 3.55Å; T760-A791 WeakPolarHBondContact CA-O 3.27Å |
| 761 | V | 77.5 | Confident | 81.4 | Confident | 111 Ų | 111 | 60.6 Ų | 60.6 | 67% | 0.673 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -109.7 | 116 | 178.5 | -176.1 | 0 | 0 | 0 | 0 | 108 | A791 | V761-A791 HydrophobicContact CB-CB 4.38Å; V761-A791 PolarHBondContact N-O 2.99Å |
| 762 | G | 66.9 | Low | 81.3 | Confident | 65 Ų | 65 | 63 Ų | 63 | 67% | 0.67 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 108.2 | -177.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 763 | D | 56.7 | Low | 81.2 | Confident | 174 Ų | 174 | 67.3 Ų | 67.3 | 93% | 0.93 | 43% | 0.425 | S | S | * | . | trans | -66.5 | 133.4 | -178.6 | -111.5 | -20.8 | 0 | 0 | 0 | 111.6 | G765 | D763-G765 PolarHBondContact O-N 3.33Š| ||
| 764 | A | 57.8 | Low | 80.9 | Confident | 75 Ų | 75 | 67.9 Ų | 67.9 | 62% | 0.62 | 43% | 0.429 | S | S | * | . | trans | -71.3 | 78.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 765 | G | 62.8 | Low | 80.7 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 45% | 0.454 | 44% | 0.44 | S | S | . | . | trans | -65.9 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D763 A767 S768 | D763-G765 PolarHBondContact O-N 3.33Å; G765-A767 PolarHBondContact O-N 2.89Å; G765-S768 WeakPolarHBondContact O-CB 3.32Å; G765-S768 PolarHBondContact O-N 2.73Å; G765-S768 PolarHBondContact O-OG 3.49Å | ||
| 766 | A | 61.5 | Low | 80.5 | Confident | 121 Ų | 121 | 74 Ų | 74 | 100% | 1 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -13.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 767 | A | 64.4 | Low | 80.4 | Confident | 41 Ų | 41 | 75 Ų | 75 | 34% | 0.339 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 0.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G765 H788 | G765-A767 PolarHBondContact O-N 2.89Å; A767-H788 HydrophobicContact CB-CB 4.39Å |
| 768 | S | 73.9 | Confident | 80.3 | Confident | 52 Ų | 52 | 77.3 Ų | 77.3 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | trans | -74.8 | 135.5 | 175 | 59 | 0 | 0 | 0 | 0 | 110.8 | G765 | G765-S768 WeakPolarHBondContact O-CB 3.32Å; G765-S768 PolarHBondContact O-N 2.73Å; G765-S768 PolarHBondContact O-OG 3.49Å | ||
| 769 | F | 84.3 | Confident | 80.1 | Confident | 33 Ų | 33 | 77 Ų | 77 | 15% | 0.145 | 48% | 0.477 | C | S | . | . | trans | -135.2 | 150.2 | 177.6 | 62.3 | -91.4 | 0 | 0 | 0 | 109.8 | M755 T757 N772 L786 V789 Y794 | M755-F769 HydrophobicContact CE-CZ 3.91Å; M755-F769 HydrophobicContact CG-CE2 4.22Å; M755-F769 HydrophobicContact CG-CZ 4.38Å; M755-F769 HydrophobicContact SD-CE2 4.45Å; M755-F769 HydrophobicContact SD-CZ 4.04Å; T757-F769 WeakPolarHBondContact CB-O 3.27Å; T757-F769 PolarHBondContact OG1-O 3.33Å; F769-N772 WeakPolarHBondContact CD1-ND2 3.23Å; F769-N772 HydrophobicContact CD2-CB 3.94Å; F769-N772 WeakPolarHBondContact CD2-ND2 3.41Å; F769-N772 WeakPolarHBondContact CE1-ND2 3.32Å; F769-N772 HydrophobicContact CE2-CB 3.8Å; F769-N772 WeakPolarHBondContact CE2-ND2 3.4Å; F769-N772 WeakPolarHBondContact CG-ND2 3.41Å; F769-N772 HydrophobicContact CZ-CB 4.39Å; F769-N772 WeakPolarHBondContact CZ-ND2 3.45Å; F769-L786 HydrophobicContact CE1-CD1 3.85Å; F769-L786 HydrophobicContact CZ-CD1 3.88Å; F769-V789 HydrophobicContact CE1-CG1 4.42Å; F769-Y794 HydrophobicContact CZ-CD1 4.29Å; F769-Y794 HydrophobicContact CZ-CE1 4.14Å | ||
| 770 | Q | 86.2 | Confident | 80 | Confident | 156 Ų | 156 | 74.7 Ų | 74.7 | 73% | 0.729 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -83.7 | -39.3 | 172.8 | -72.5 | -66.4 | -27.5 | 0 | 0 | 111.2 | T757 | T757-Q770 PolarHBondContact N-O 3.16Š|
| 771 | K | 89.3 | Confident | 80.2 | Confident | 115 Ų | 115 | 72 Ų | 72 | 50% | 0.5 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 137.8 | -176.1 | 173.3 | 170.4 | 161 | 153 | 0 | 110.9 | E754 M755 V756 | E754-K771 HydrophobicContact CG-CD 4.19Å; E754-K771 HydrophobicContact CG-CG 4.02Å; E754-K771 VanDerWaalsContact OE1-CD 3.32Å; E754-K771 WeakPolarHBondContact OE1-CD 3.26Å; E754-K771 WeakPolarHBondContact OE1-CE 3.48Å; E754-K771 IonicContact OE1-NZ 2.66Å; E754-K771 PolarHBondContact OE1-NZ 3.49Å; E754-K771 WeakPolarHBondContact OE2-CE 3.46Å; E754-K771 IonicContact OE2-NZ 3.23Å; E754-K771 PolarHBondContact OE2-NZ 3.41Å; M755-K771 CarbonylContact O-C 3.55Å; M755-K771 WeakPolarHBondContact O-CA 3.41Å; V756-K771 HydrophobicContact CG2-CG 4.37Å |
| 772 | N | 91.4 | Very high | 80.9 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 26% | 0.262 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 160.7 | 171.8 | -89.6 | -34.6 | 0 | 0 | 0 | 109.8 | M755 F769 M784 | M755-N772 PolarHBondContact N-O 3.35Å; M755-N772 PolarHBondContact O-N 2.8Å; F769-N772 WeakPolarHBondContact CD1-ND2 3.23Å; F769-N772 HydrophobicContact CD2-CB 3.94Å; F769-N772 WeakPolarHBondContact CD2-ND2 3.41Å; F769-N772 WeakPolarHBondContact CE1-ND2 3.32Å; F769-N772 HydrophobicContact CE2-CB 3.8Å; F769-N772 WeakPolarHBondContact CE2-ND2 3.4Å; F769-N772 WeakPolarHBondContact CG-ND2 3.41Å; F769-N772 HydrophobicContact CZ-CB 4.39Å; F769-N772 WeakPolarHBondContact CZ-ND2 3.45Å; N772-M784 HydrophobicContact CB-SD 3.82Å |
| 773 | N | 92.3 | Very high | 82.2 | Confident | 92 Ų | 92 | 66.3 Ų | 66.3 | 49% | 0.492 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 165.3 | 178.3 | 60.8 | 56.5 | 0 | 0 | 0 | 111 | F753 G775 | F753-N773 WeakPolarHBondContact O-CA 3.28Å; N773-G775 PolarHBondContact O-N 2.69Å; N773-G775 VanDerWaalsContact O-N 3.12Å; N773-G775 WeakPolarHBondContact OD1-CA 3.44Å; N773-G775 PolarHBondContact OD1-N 3.12Å |
| 774 | S | 91.8 | Very high | 84 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | trans | -71.6 | 6.7 | 177.5 | 62.4 | 0 | 0 | 0 | 0 | 114.8 | G752 F753 | G752-S774 WeakPolarHBondContact CA-OG 3.49Å; F753-S774 PolarHBondContact N-OG 3.32Å; F753-S774 PolarHBondContact O-N 3.21Å | ||
| 775 | G | 90.8 | Very high | 85.6 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 38% | 0.381 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 75.6 | -149.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N773 | N773-G775 PolarHBondContact O-N 2.69Å; N773-G775 VanDerWaalsContact O-N 3.12Å; N773-G775 WeakPolarHBondContact OD1-CA 3.44Å; N773-G775 PolarHBondContact OD1-N 3.12Å |
| 776 | D | 90.3 | Very high | 86.9 | Confident | 122 Ų | 122 | 58.2 Ų | 58.2 | 65% | 0.652 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -59.3 | 141.3 | -179.5 | -63 | -32.5 | 0 | 0 | 0 | 112.2 | R778 | D776-R778 PolarHBondContact O-N 3.39Š|
| 777 | Y | 90.9 | Very high | 88.2 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | trans | -67.1 | 126.6 | 174.3 | -81.4 | -107.9 | 0 | 0 | 0 | 110.1 | C716 V751 T799 F801 | C716-Y777 HydrophobicContact CB-CE1 3.95Å; C716-Y777 HydrophobicContact CB-CE2 3.88Å; C716-Y777 WeakPolarHBondContact CB-OH 3.3Å; V751-Y777 VanDerWaalsContact C-CD1 3.43Å; V751-Y777 WeakPolarHBondContact O-CA 3.45Å; Y777-T799 WeakPolarHBondContact CE1-OG1 3.27Å; Y777-T799 PolarHBondContact OH-OG1 3.39Å; Y777-F801 HydrophobicContact CD1-CB 3.78Å; Y777-F801 HydrophobicContact CD1-CD2 4.19Å; Y777-F801 HydrophobicContact CD2-CD2 4.04Å; Y777-F801 HydrophobicContact CE1-CB 4.42Å; Y777-F801 HydrophobicContact CG-CB 4.15Å; Y777-F801 AromaticContact CG-CD2 3.81Å; Y777-F801 HydrophobicContact CG-CD2 3.81Å; Y777-F801 HydrophobicContact CG-CG 4.46Å | ||
| 778 | R | 90 | Very high | 89.3 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 147.9 | -174.2 | -72.1 | 177.1 | -173.6 | -123.1 | 1.1 | 111.7 | D635 S750 V751 D776 G780 F781 | D635-R778 IonicContact OD2-CZ 2.88Å; D635-R778 IonicContact OD2-NH1 3.18Å; D635-R778 PolarHBondContact OD2-NH1 3.37Å; D635-R778 IonicContact OD2-NH2 3.72Å; D635-R778 PolarHBondContact OD2-NH2 2.93Å; S750-R778 CarbonylContact C-O 3.47Å; S750-R778 WeakPolarHBondContact CA-O 3.18Å; V751-R778 WeakPolarHBondContact CG2-O 3.43Å; V751-R778 PolarHBondContact N-O 3.05Å; V751-R778 PolarHBondContact O-N 2.72Å; V751-R778 VanDerWaalsContact O-N 3.15Å; D776-R778 PolarHBondContact O-N 3.39Å; R778-G780 PolarHBondContact O-N 3.41Å; R778-F781 WeakPolarHBondContact CB-O 3.43Å |
| 779 | C | 88.4 | Confident | 90 | Very high | 72 Ų | 72 | 58.8 Ų | 58.8 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 117.1 | -176.2 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | Y749 F781 | Y749-C779 WeakPolarHBondContact O-CA 2.91Å; C779-F781 PolarHBondContact O-N 2.77Å |
| 780 | G | 86.4 | Confident | 90.4 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 70.8 | -19 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | R744 G745 Y749 R778 | R744-G780 CarbonylContact C-O 3.51Å; R744-G780 WeakPolarHBondContact CA-O 3.27Å; G745-G780 PolarHBondContact N-O 3.43Å; G745-G780 WeakPolarHBondContact O-CA 3.22Å; Y749-G780 PolarHBondContact O-N 2.84Å; R778-G780 PolarHBondContact O-N 3.41Å |
| 781 | F | 90.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 133.6 | 179.4 | 179 | -109.7 | 0 | 0 | 0 | 112.6 | Y576 T577 A579 Y631 Y632 E742 L743 R744 R778 C779 Y783 | Y576-F781 HydrophobicContact CD2-CB 3.59Å; Y576-F781 HydrophobicContact CD2-CG 4.47Å; Y576-F781 HydrophobicContact CE2-CB 4.04Å; T577-F781 WeakPolarHBondContact OG1-CE1 3.31Å; A579-F781 HydrophobicContact CB-CZ 4.3Å; Y631-F781 HydrophobicContact CD1-CZ 4.25Å; Y632-F781 HydrophobicContact CD1-CD1 4.15Å; Y632-F781 HydrophobicContact CD1-CE1 4.35Å; Y632-F781 AromaticContact CE1-CD1 3.66Å; Y632-F781 HydrophobicContact CE1-CD1 3.66Å; Y632-F781 AromaticContact CE1-CE1 3.9Å; Y632-F781 HydrophobicContact CE1-CE1 3.9Å; E742-F781 HydrophobicContact CB-CE2 4.08Å; E742-F781 HydrophobicContact CG-CE2 4.38Å; L743-F781 WeakPolarHBondContact O-CA 3.34Å; R744-F781 HydrophobicContact CG-CD2 3.74Å; R744-F781 HydrophobicContact CG-CE2 4.2Å; R778-F781 WeakPolarHBondContact CB-O 3.43Å; C779-F781 PolarHBondContact O-N 2.77Å; F781-Y783 HydrophobicContact CE1-CD1 4.26Å |
| 782 | C | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 160.1 | 164.4 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | Y632 L743 | Y632-C782 WeakPolarHBondContact OH-CA 3.25Å; L743-C782 PolarHBondContact N-O 3.46Å; L743-C782 PolarHBondContact O-N 2.97Å |
| 783 | Y | 93.8 | Very high | 90.8 | Very high | 56 Ų | 56 | 45.8 Ų | 45.8 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 164.1 | 178.3 | 79.4 | -78.1 | 0 | 0 | 0 | 111.2 | Y631 Y632 L740 V741 F781 E785 | Y631-Y783 HydrophobicContact CD1-CD1 4.01Å; Y631-Y783 HydrophobicContact CD1-CD2 4.01Å; Y631-Y783 HydrophobicContact CD1-CE1 4.3Å; Y631-Y783 HydrophobicContact CD1-CE2 4.28Å; Y631-Y783 AromaticContact CD1-CG 3.87Å; Y631-Y783 HydrophobicContact CD1-CG 3.87Å; Y631-Y783 HydrophobicContact CD2-CD1 4.44Å; Y631-Y783 HydrophobicContact CD2-CD2 4.03Å; Y631-Y783 AromaticContact CD2-CE1 3.95Å; Y631-Y783 HydrophobicContact CD2-CE1 3.95Å; Y631-Y783 AromaticContact CD2-CE2 3.48Å; Y631-Y783 HydrophobicContact CD2-CE2 3.48Å; Y631-Y783 VanDerWaalsContact CD2-CE2 3.48Å; Y631-Y783 HydrophobicContact CD2-CG 4.49Å; Y631-Y783 AromaticContact CD2-CZ 3.45Å; Y631-Y783 VanDerWaalsContact CD2-CZ 3.45Å; Y631-Y783 HydrophobicContact CE1-CD2 4.11Å; Y631-Y783 HydrophobicContact CE1-CE2 4.49Å; Y631-Y783 HydrophobicContact CE1-CG 4.31Å; Y631-Y783 HydrophobicContact CE2-CD2 4.14Å; Y631-Y783 AromaticContact CE2-CE2 3.74Å; Y631-Y783 HydrophobicContact CE2-CE2 3.74Å; Y631-Y783 AromaticContact CG-CD1 3.77Å; Y631-Y783 HydrophobicContact CG-CD1 3.77Å; Y631-Y783 AromaticContact CG-CD2 3.97Å; Y631-Y783 HydrophobicContact CG-CD2 3.97Å; Y631-Y783 AromaticContact CG-CE1 3.59Å; Y631-Y783 HydrophobicContact CG-CE1 3.59Å; Y631-Y783 AromaticContact CG-CE2 3.79Å; Y631-Y783 HydrophobicContact CG-CE2 3.79Å; Y631-Y783 AromaticContact CG-CG 3.98Å; Y631-Y783 HydrophobicContact CG-CG 3.98Å; Y631-Y783 AromaticContact CG-CZ 3.61Å; Y632-Y783 AromaticContact CD2-CE1 3.87Å; Y632-Y783 HydrophobicContact CD2-CE1 3.87Å; Y632-Y783 HydrophobicContact CE1-CD1 4.04Å; Y632-Y783 HydrophobicContact CE1-CE1 4.22Å; Y632-Y783 AromaticContact CE2-CD1 3.82Å; Y632-Y783 HydrophobicContact CE2-CD1 3.82Å; Y632-Y783 AromaticContact CE2-CE1 3.3Å; Y632-Y783 HydrophobicContact CE2-CE1 3.3Å; Y632-Y783 AromaticContact CZ-CD1 3.45Å; Y632-Y783 VanDerWaalsContact CZ-CD1 3.45Å; Y632-Y783 AromaticContact CZ-CE1 3.48Å; Y632-Y783 VanDerWaalsContact CZ-CE1 3.48Å; Y632-Y783 VanDerWaalsContact OH-CD1 3.29Å; Y632-Y783 WeakPolarHBondContact OH-CD1 3.44Å; Y632-Y783 PolarHBondContact OH-N 3.49Å; L740-Y783 HydrophobicContact CD1-CD2 3.96Å; V741-Y783 CarbonylContact O-C 3.57Å; V741-Y783 WeakPolarHBondContact O-CA 3.12Å; F781-Y783 HydrophobicContact CE1-CD1 4.26Å; Y783-E785 HydrophobicContact CD2-CB 4.3Å; Y783-E785 HydrophobicContact CE2-CB 4.19Å |
| 784 | M | 93.9 | Very high | 91 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 122 | 169.1 | -176.7 | -179.8 | 71.4 | 0 | 0 | 107.9 | L740 V741 F753 M755 N772 L786 | L740-M784 WeakPolarHBondContact CA-O 3.5Å; V741-M784 HydrophobicContact CG2-CE 4.37Å; V741-M784 PolarHBondContact N-O 3.08Å; V741-M784 PolarHBondContact O-N 3.29Å; F753-M784 HydrophobicContact CE2-CB 3.75Å; F753-M784 HydrophobicContact CE2-CE 3.93Å; F753-M784 HydrophobicContact CE2-SD 4.25Å; F753-M784 HydrophobicContact CZ-CB 3.51Å; M755-M784 HydrophobicContact CB-CE 3.85Å; M755-M784 HydrophobicContact CG-CE 4.31Å; M755-M784 HydrophobicContact SD-CE 3.43Å; M755-M784 WeakPolarHBondContact SD-CE 2.78Å; N772-M784 HydrophobicContact CB-SD 3.82Å; M784-L786 HydrophobicContact CE-CD1 3.87Å; M784-L786 HydrophobicContact CE-CG 4.37Å; M784-L786 HydrophobicContact CG-CD2 4.36Å; M784-L786 HydrophobicContact CG-CG 4.2Å; M784-L786 HydrophobicContact SD-CD1 4.31Å; M784-L786 HydrophobicContact SD-CG 4.49Å |
| 785 | E | 91.7 | Very high | 91.1 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.1 | 175 | -173.6 | 173.8 | -161.7 | 0 | 0 | 108.6 | L740 Y783 | L740-E785 HydrophobicContact CD1-CB 4.07Å; Y783-E785 HydrophobicContact CD2-CB 4.3Å; Y783-E785 HydrophobicContact CE2-CB 4.19Å |
| 786 | L | 90.4 | Very high | 91.4 | Very high | 33 Ų | 33 | 40.7 Ų | 40.7 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 121.9 | 178.2 | -62.9 | 176.4 | 0 | 0 | 0 | 108.5 | P738 L739 M755 F769 M784 H788 V789 | P738-L786 CarbonylContact C-O 3.55Å; P738-L786 WeakPolarHBondContact CA-O 3.43Å; L739-L786 PolarHBondContact N-O 3.48Å; L739-L786 PolarHBondContact O-N 3.37Å; M755-L786 HydrophobicContact SD-CD1 4.48Å; F769-L786 HydrophobicContact CE1-CD1 3.85Å; F769-L786 HydrophobicContact CZ-CD1 3.88Å; M784-L786 HydrophobicContact CE-CD1 3.87Å; M784-L786 HydrophobicContact CE-CG 4.37Å; M784-L786 HydrophobicContact CG-CD2 4.36Å; M784-L786 HydrophobicContact CG-CG 4.2Å; M784-L786 HydrophobicContact SD-CD1 4.31Å; M784-L786 HydrophobicContact SD-CG 4.49Å; L786-H788 VanDerWaalsContact C-N 3.26Å; L786-H788 PolarHBondContact O-N 2.95Å; L786-V789 HydrophobicContact CB-CG2 3.58Å; L786-V789 HydrophobicContact CD1-CG2 3.66Å; L786-V789 HydrophobicContact CG-CG2 4.27Å |
| 787 | D | 87.6 | Confident | 91.7 | Very high | 126 Ų | 126 | 35.4 Ų | 35.4 | 67% | 0.674 | 18% | 0.178 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65 | -30.7 | -177.9 | -68.9 | -37.6 | 0 | 0 | 0 | 112.6 | P738 | P738-D787 WeakPolarHBondContact CA-O 3.42Å; P738-D787 WeakPolarHBondContact CB-O 3.44Å |
| 788 | H | 88.6 | Confident | 91.9 | Very high | 100 Ų | 100 | 32.2 Ų | 32.2 | 46% | 0.463 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 110.8 | -179.1 | -167 | 86.1 | 0 | 0 | 0 | 111.5 | A767 L786 | A767-H788 HydrophobicContact CB-CB 4.39Å; L786-H788 VanDerWaalsContact C-N 3.26Å; L786-H788 PolarHBondContact O-N 2.95Å |
| 789 | V | 89.6 | Confident | 92.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.8 | 171.2 | -176 | 0 | 0 | 0 | 0 | 108.3 | L733 S736 G737 L739 M755 F769 L786 Y794 | L733-V789 HydrophobicContact CD1-CB 4.14Å; L733-V789 HydrophobicContact CD1-CG1 3.62Å; S736-V789 CarbonylContact C-O 3.59Å; S736-V789 WeakPolarHBondContact CA-O 3.4Å; S736-V789 WeakPolarHBondContact CB-O 3.21Å; G737-V789 PolarHBondContact N-O 3.4Å; G737-V789 PolarHBondContact O-N 3.37Å; L739-V789 HydrophobicContact CB-CB 4.36Å; L739-V789 HydrophobicContact CB-CG2 3.65Å; L739-V789 HydrophobicContact CD2-CG2 4.2Å; M755-V789 HydrophobicContact CE-CG1 4.22Å; F769-V789 HydrophobicContact CE1-CG1 4.42Å; L786-V789 HydrophobicContact CB-CG2 3.58Å; L786-V789 HydrophobicContact CD1-CG2 3.66Å; L786-V789 HydrophobicContact CG-CG2 4.27Å; V789-Y794 HydrophobicContact CG1-CD2 4.46Å; V789-Y794 HydrophobicContact CG1-CE1 3.96Å; V789-Y794 HydrophobicContact CG1-CE2 3.72Å; V789-Y794 VanDerWaalsContact CG1-CZ 3.44Å; V789-Y794 WeakPolarHBondContact CG1-OH 3.36Å |
| 790 | P | 90.7 | Very high | 92.5 | Very high | 20 Ų | 20 | 25.5 Ų | 25.5 | 13% | 0.13 | 13% | 0.13 | C | C | . | . | trans | -56.9 | 161.8 | 175.3 | -25.9 | 34.4 | 0 | 0 | 0 | 113.4 | S736 T760 Y794 | S736-P790 WeakPolarHBondContact OG-CA 3.28Å; T760-P790 HydrophobicContact CG2-CB 4.09Å; P790-Y794 WeakPolarHBondContact CB-OH 3.3Å; P790-Y794 WeakPolarHBondContact CD-OH 3.49Å; P790-Y794 PolarHBondContact O-OH 3.15Å | ||
| 791 | A | 91.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -70.9 | 138.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | L733 S736 T760 V761 | L733-A791 WeakPolarHBondContact O-CA 3.26Å; S736-A791 PolarHBondContact OG-N 2.93Å; T760-A791 CarbonylContact C-O 3.55Å; T760-A791 WeakPolarHBondContact CA-O 3.27Å; V761-A791 HydrophobicContact CB-CB 4.38Å; V761-A791 PolarHBondContact N-O 2.99Å |
| 792 | G | 92.7 | Very high | 93 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157 | -169.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L733 S759 | L733-G792 PolarHBondContact N-O 3.35Å; L733-G792 PolarHBondContact O-N 3.2Å; S759-G792 CarbonylContact O-C 3.59Å; S759-G792 VanDerWaalsContact O-CA 3.26Å; S759-G792 WeakPolarHBondContact O-CA 3.48Å |
| 793 | I | 93.4 | Very high | 93 | Very high | 46 Ų | 46 | 34.6 Ų | 34.6 | 24% | 0.236 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.9 | -177.8 | -56.8 | 177.8 | 0 | 0 | 0 | 109 | Q730 I731 V758 S759 | Q730-I793 HydrophobicContact CG-CG2 3.41Å; Q730-I793 VanDerWaalsContact CG-CG2 3.41Å; I731-I793 WeakPolarHBondContact O-CA 3.44Å; V758-I793 WeakPolarHBondContact CA-O 3.49Å; V758-I793 HydrophobicContact CB-CB 4.19Å; V758-I793 HydrophobicContact CB-CG2 4Å; V758-I793 WeakPolarHBondContact CB-O 3.23Å; V758-I793 HydrophobicContact CG1-CG2 4.4Å; V758-I793 HydrophobicContact CG2-CG2 4.27Å; V758-I793 PolarHBondContact N-O 3.3Å; S759-I793 PolarHBondContact N-O 2.95Å; S759-I793 PolarHBondContact O-N 3.48Å |
| 794 | Y | 94.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.5 | -179.5 | -52.1 | -95.3 | 0 | 0 | 0 | 110.5 | Q730 I731 L733 M755 V756 T757 F769 V789 P790 | Q730-Y794 CarbonylContact C-O 3.56Å; Q730-Y794 WeakPolarHBondContact CA-O 3.5Å; I731-Y794 HydrophobicContact CD1-CD2 4.43Å; I731-Y794 HydrophobicContact CG1-CD2 4.2Å; I731-Y794 HydrophobicContact CG1-CG 4.38Å; I731-Y794 PolarHBondContact N-O 3.48Å; I731-Y794 PolarHBondContact O-N 2.98Å; L733-Y794 HydrophobicContact CB-CE2 4.4Å; L733-Y794 HydrophobicContact CD1-CD2 4.01Å; L733-Y794 HydrophobicContact CD1-CE2 3.81Å; M755-Y794 VanDerWaalsContact CE-CB 3.42Å; M755-Y794 HydrophobicContact CE-CD1 3.38Å; M755-Y794 HydrophobicContact CE-CD2 3.88Å; M755-Y794 HydrophobicContact CE-CE1 4.08Å; M755-Y794 HydrophobicContact CE-CG 3.27Å; V756-Y794 CarbonylContact O-C 3.58Å; V756-Y794 VanDerWaalsContact O-CA 3.31Å; V756-Y794 WeakPolarHBondContact O-CA 3.26Å; T757-Y794 HydrophobicContact CG2-CD1 4.15Å; T757-Y794 HydrophobicContact CG2-CE1 3.81Å; T757-Y794 WeakPolarHBondContact OG1-CD1 3.28Å; T757-Y794 VanDerWaalsContact OG1-CE1 3.31Å; T757-Y794 WeakPolarHBondContact OG1-CE1 3.43Å; F769-Y794 HydrophobicContact CZ-CD1 4.29Å; F769-Y794 HydrophobicContact CZ-CE1 4.14Å; V789-Y794 HydrophobicContact CG1-CD2 4.46Å; V789-Y794 HydrophobicContact CG1-CE1 3.96Å; V789-Y794 HydrophobicContact CG1-CE2 3.72Å; V789-Y794 VanDerWaalsContact CG1-CZ 3.44Å; V789-Y794 WeakPolarHBondContact CG1-OH 3.36Å; P790-Y794 WeakPolarHBondContact CB-OH 3.3Å; P790-Y794 WeakPolarHBondContact CD-OH 3.49Å; P790-Y794 PolarHBondContact O-OH 3.15Å |
| 795 | N | 95.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 41.6 Ų | 41.6 | 19% | 0.187 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131 | 175.2 | -71.3 | -11.5 | 0 | 0 | 0 | 109.4 | I728 Y729 Q730 M755 V756 V758 | I728-N795 HydrophobicContact CG2-CB 3.87Å; Y729-N795 CarbonylContact O-C 3.58Å; Y729-N795 WeakPolarHBondContact O-CA 3.37Å; Q730-N795 WeakPolarHBondContact CG-OD1 3.25Å; Q730-N795 PolarHBondContact NE2-OD1 2.85Å; Q730-N795 VanDerWaalsContact NE2-OD1 3.15Å; M755-N795 CarbonylContact C-O 3.53Å; M755-N795 VanDerWaalsContact CA-O 3.29Å; M755-N795 WeakPolarHBondContact CA-O 3.46Å; V756-N795 PolarHBondContact N-O 2.92Å; V756-N795 PolarHBondContact O-N 2.86Å; V758-N795 HydrophobicContact CG2-CB 4.26Å; V758-N795 VanDerWaalsContact CG2-CG 3.47Å; V758-N795 WeakPolarHBondContact CG2-ND2 3.25Å |
| 796 | V | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.7 | 177.7 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | Y729 V741 F753 E754 M755 P798 L811 F813 | Y729-V796 PolarHBondContact N-O 2.85Å; Y729-V796 PolarHBondContact O-N 3.13Å; V741-V796 HydrophobicContact CG1-CG1 4.41Å; F753-V796 HydrophobicContact CB-CG1 4.32Å; F753-V796 HydrophobicContact CD2-CG1 3.94Å; F753-V796 HydrophobicContact CG-CG1 4.36Å; E754-V796 CarbonylContact O-C 3.53Å; E754-V796 VanDerWaalsContact O-CA 3.28Å; E754-V796 WeakPolarHBondContact O-CA 3.42Å; M755-V796 HydrophobicContact CB-CG2 4.15Å; M755-V796 HydrophobicContact CG-CG2 3.94Å; M755-V796 HydrophobicContact SD-CG2 4.44Å; V796-P798 WeakPolarHBondContact O-CD 3.47Å; V796-L811 HydrophobicContact CG1-CD2 4.19Å; V796-F813 HydrophobicContact CB-CE1 4.25Å; V796-F813 HydrophobicContact CB-CZ 4.3Å; V796-F813 HydrophobicContact CG1-CE1 4.38Å; V796-F813 HydrophobicContact CG1-CZ 4.46Å; V796-F813 HydrophobicContact CG2-CE1 3.95Å; V796-F813 HydrophobicContact CG2-CZ 4.46Å |
| 797 | T | 96.1 | Very high | 93 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 97.3 | -176.2 | -52.4 | 0 | 0 | 0 | 0 | 109.4 | Y723 N726 I728 F753 E754 T799 | Y723-T797 HydrophobicContact CE2-CG2 4.47Å; N726-T797 HydrophobicContact CB-CG2 3.68Å; I728-T797 HydrophobicContact CG1-CG2 4.38Å; F753-T797 VanDerWaalsContact CA-O 3.28Å; F753-T797 WeakPolarHBondContact CA-O 3.49Å; F753-T797 WeakPolarHBondContact CB-O 3.3Å; E754-T797 PolarHBondContact N-O 3.2Å; E754-T797 VanDerWaalsContact N-O 3.16Å; E754-T797 PolarHBondContact O-N 3.25Å; T797-T799 HydrophobicContact CG2-CG2 4Å |
| 798 | P | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 136.1 | 173.3 | 30 | -35.7 | 0 | 0 | 0 | 111.5 | W708 P727 Y729 L743 V796 F809 L811 | W708-P798 HydrophobicContact CZ2-CB 4.15Å; W708-P798 PolarHBondContact NE1-O 2.88Å; P727-P798 WeakPolarHBondContact O-CD 3.27Å; Y729-P798 HydrophobicContact CD2-CG 3.98Å; Y729-P798 HydrophobicContact CE2-CG 3.74Å; L743-P798 HydrophobicContact CD1-CB 3.87Å; L743-P798 HydrophobicContact CD2-CB 3.94Å; V796-P798 WeakPolarHBondContact O-CD 3.47Å; P798-F809 HydrophobicContact CB-CE2 4.1Å; P798-F809 HydrophobicContact CB-CZ 4.21Å; P798-F809 HydrophobicContact CG-CE1 4.32Å; P798-F809 HydrophobicContact CG-CE2 3.66Å; P798-F809 HydrophobicContact CG-CZ 3.53Å; P798-L811 HydrophobicContact CG-CD2 4.3Å |
| 799 | T | 95.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 155.2 | -172.6 | 62 | 0 | 0 | 0 | 0 | 112.2 | Y723 N726 V751 G752 Y777 T797 | Y723-T799 HydrophobicContact CD2-CG2 4.32Å; Y723-T799 HydrophobicContact CE2-CG2 3.83Å; N726-T799 HydrophobicContact CB-CG2 4.2Å; V751-T799 WeakPolarHBondContact CA-O 3.29Å; G752-T799 PolarHBondContact N-O 3.41Å; G752-T799 CarbonylContact O-C 3.57Å; G752-T799 WeakPolarHBondContact O-CA 3.45Å; G752-T799 PolarHBondContact O-N 2.99Å; G752-T799 PolarHBondContact O-OG1 3.3Å; Y777-T799 WeakPolarHBondContact CE1-OG1 3.27Å; Y777-T799 PolarHBondContact OH-OG1 3.39Å; T797-T799 HydrophobicContact CG2-CG2 4Å |
| 800 | T | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 160.5 | 161.3 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | W708 G715 C716 Y749 S750 L802 Q805 | W708-T800 HydrophobicContact CD2-CG2 3.81Å; W708-T800 HydrophobicContact CE3-CG2 3.72Å; W708-T800 HydrophobicContact CG-CG2 4.37Å; W708-T800 HydrophobicContact CH2-CG2 4.28Å; W708-T800 HydrophobicContact CZ2-CG2 4.36Å; W708-T800 HydrophobicContact CZ3-CG2 3.97Å; G715-T800 CarbonylContact C-O 3.56Å; G715-T800 VanDerWaalsContact CA-O 3.3Å; G715-T800 WeakPolarHBondContact CA-O 3.28Å; C716-T800 PolarHBondContact N-O 2.82Å; Y749-T800 HydrophobicContact CD2-CG2 4.47Å; S750-T800 CarbonylContact O-C 3.41Å; S750-T800 WeakPolarHBondContact O-CA 3.22Å; T800-L802 PolarHBondContact OG1-O 3.42Å; T800-Q805 HydrophobicContact CG2-CB 3.86Å |
| 801 | F | 93.6 | Very high | 93.9 | Very high | 86 Ų | 86 | 38.7 Ų | 38.7 | 38% | 0.377 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -65 | -48.1 | 178.3 | -175.6 | -107.6 | 0 | 0 | 0 | 111.4 | C716 Y719 S750 Y777 | C716-F801 PolarHBondContact N-O 3.46Å; C716-F801 PolarHBondContact SG-O 2.92Å; Y719-F801 WeakPolarHBondContact CE2-O 3.42Å; S750-F801 PolarHBondContact O-N 2.82Å; Y777-F801 HydrophobicContact CD1-CB 3.78Å; Y777-F801 HydrophobicContact CD1-CD2 4.19Å; Y777-F801 HydrophobicContact CD2-CD2 4.04Å; Y777-F801 HydrophobicContact CE1-CB 4.42Å; Y777-F801 HydrophobicContact CG-CB 4.15Å; Y777-F801 AromaticContact CG-CD2 3.81Å; Y777-F801 HydrophobicContact CG-CD2 3.81Å; Y777-F801 HydrophobicContact CG-CG 4.46Å |
| 802 | L | 93.7 | Very high | 94 | Very high | 70 Ų | 70 | 39 Ų | 39 | 37% | 0.366 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -101 | 147.7 | 177.5 | -59.9 | 176.6 | 0 | 0 | 0 | 111.2 | Y719 T800 Q805 | Y719-L802 HydrophobicContact CE2-CD2 4.38Å; Y719-L802 VanDerWaalsContact OH-CD2 3.25Å; Y719-L802 WeakPolarHBondContact OH-CD2 3.24Å; T800-L802 PolarHBondContact OG1-O 3.42Å; L802-Q805 HydrophobicContact CB-CG 4.29Å |
| 803 | P | 92.8 | Very high | 94.1 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 25% | 0.253 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 163.8 | 171.7 | 29.4 | -35.2 | 0 | 0 | 0 | 111.6 | A713 Y719 Q805 | A713-P803 CarbonylContact O-C 3.48Å; A713-P803 WeakPolarHBondContact O-CA 3.46Å; Y719-P803 HydrophobicContact CD1-CG 4.15Å; Y719-P803 HydrophobicContact CD2-CG 4.5Å; Y719-P803 HydrophobicContact CE1-CG 4.27Å; Y719-P803 HydrophobicContact CG-CG 4.27Å; P803-Q805 PolarHBondContact O-N 3.3Å |
| 804 | K | 91.7 | Very high | 94.1 | Very high | 180 Ų | 180 | 37.2 Ų | 37.2 | 78% | 0.783 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 13.7 | -179.8 | -50.5 | 178.6 | -179.4 | 178.7 | 0 | 115.2 | A713 E806 | A713-K804 PolarHBondContact O-N 3.26Å; K804-E806 PolarHBondContact O-N 3.01Å |
| 805 | Q | 92.9 | Very high | 94 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 17% | 0.168 | 19% | 0.19 | C | C | . | . | trans | -85 | 109 | 169.9 | -68.3 | -175.7 | -29.4 | 0 | 0 | 108.7 | Y749 T800 L802 P803 | Y749-Q805 HydrophobicContact CD1-CB 3.86Å; Y749-Q805 VanDerWaalsContact CD1-CD 3.49Å; Y749-Q805 HydrophobicContact CD1-CG 3.81Å; Y749-Q805 HydrophobicContact CD2-CB 4.2Å; Y749-Q805 HydrophobicContact CE1-CB 3.97Å; Y749-Q805 HydrophobicContact CE1-CG 3.97Å; Y749-Q805 HydrophobicContact CE2-CB 4.29Å; Y749-Q805 HydrophobicContact CG-CB 4Å; Y749-Q805 HydrophobicContact CG-CG 4.37Å; T800-Q805 HydrophobicContact CG2-CB 3.86Å; L802-Q805 HydrophobicContact CB-CG 4.29Å; P803-Q805 PolarHBondContact O-N 3.3Å | ||
| 806 | E | 93.3 | Very high | 93.8 | Very high | 93 Ų | 93 | 37.8 Ų | 37.8 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | trans | -104.2 | 139.2 | -173.8 | -61.8 | -167.8 | 175.3 | 0 | 0 | 111.9 | W708 G710 A713 Y749 K804 | W708-E806 CarbonylContact O-C 3.53Å; W708-E806 WeakPolarHBondContact O-CA 3.27Å; W708-E806 WeakPolarHBondContact O-CB 3.1Å; G710-E806 WeakPolarHBondContact CA-OE1 3.44Å; G710-E806 PolarHBondContact N-OE1 3.05Å; A713-E806 HydrophobicContact CB-CG 4.21Å; Y749-E806 VanDerWaalsContact CE2-O 3.24Å; Y749-E806 WeakPolarHBondContact CE2-O 3.48Å; Y749-E806 PolarHBondContact OH-O 2.57Å; K804-E806 PolarHBondContact O-N 3.01Å | ||
| 807 | G | 91.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 17% | 0.165 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.8 | 166.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q707 W708 | Q707-G807 WeakPolarHBondContact CA-O 3.38Å; W708-G807 PolarHBondContact N-O 3.42Å; W708-G807 PolarHBondContact O-N 3.12Å |
| 808 | P | 93.8 | Very high | 93 | Very high | 92 Ų | 92 | 40.2 Ų | 40.2 | 60% | 0.597 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 154.1 | 175 | 31.7 | -34.9 | 0 | 0 | 0 | 111.5 | G706 | G706-P808 WeakPolarHBondContact O-CA 3.44Å |
| 809 | F | 93.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 157.2 | 169.7 | 64.8 | -98.4 | 0 | 0 | 0 | 112.2 | G706 Q707 W708 P727 Y729 L743 R744 P798 L811 | G706-F809 PolarHBondContact N-O 3.29Å; G706-F809 PolarHBondContact O-N 2.99Å; Q707-F809 VanDerWaalsContact C-CE1 3.47Å; Q707-F809 VanDerWaalsContact N-CE1 3.26Å; W708-F809 AromaticContact CD2-CD1 3.57Å; W708-F809 HydrophobicContact CD2-CD1 3.57Å; W708-F809 AromaticContact CD2-CE1 3.96Å; W708-F809 HydrophobicContact CD2-CE1 3.96Å; W708-F809 AromaticContact CE2-CD1 3.52Å; W708-F809 AromaticContact CE2-CE1 3.74Å; W708-F809 HydrophobicContact CE3-CB 4.36Å; W708-F809 AromaticContact CE3-CD1 3.72Å; W708-F809 HydrophobicContact CE3-CD1 3.72Å; W708-F809 HydrophobicContact CE3-CG 4.48Å; W708-F809 HydrophobicContact CG-CD1 4.22Å; W708-F809 HydrophobicContact CG-CE1 4.2Å; W708-F809 HydrophobicContact CH2-CB 3.6Å; W708-F809 AromaticContact CH2-CD1 3.82Å; W708-F809 HydrophobicContact CH2-CD1 3.82Å; W708-F809 AromaticContact CH2-CG 3.91Å; W708-F809 HydrophobicContact CH2-CG 3.91Å; W708-F809 HydrophobicContact CZ2-CB 4.21Å; W708-F809 AromaticContact CZ2-CD1 3.67Å; W708-F809 HydrophobicContact CZ2-CD1 3.67Å; W708-F809 HydrophobicContact CZ2-CE1 4.18Å; W708-F809 HydrophobicContact CZ2-CG 4Å; W708-F809 HydrophobicContact CZ3-CB 3.69Å; W708-F809 AromaticContact CZ3-CD1 3.85Å; W708-F809 HydrophobicContact CZ3-CD1 3.85Å; W708-F809 HydrophobicContact CZ3-CG 4.16Å; W708-F809 AromaticContact NE1-CE1 3.82Å; P727-F809 HydrophobicContact CB-CZ 4.42Å; P727-F809 HydrophobicContact CG-CE1 4.34Å; P727-F809 HydrophobicContact CG-CZ 4.34Å; Y729-F809 AromaticContact CE2-CE2 3.94Å; Y729-F809 HydrophobicContact CE2-CE2 3.94Å; Y729-F809 AromaticContact CE2-CZ 3.82Å; Y729-F809 HydrophobicContact CE2-CZ 3.82Å; L743-F809 HydrophobicContact CD1-CB 3.97Å; L743-F809 HydrophobicContact CD1-CD2 3.72Å; L743-F809 HydrophobicContact CD1-CG 4.05Å; R744-F809 CarbonylContact O-C 3.55Å; R744-F809 WeakPolarHBondContact O-CA 3.44Å; R744-F809 WeakPolarHBondContact O-CB 3.44Å; P798-F809 HydrophobicContact CB-CE2 4.1Å; P798-F809 HydrophobicContact CB-CZ 4.21Å; P798-F809 HydrophobicContact CG-CE1 4.32Å; P798-F809 HydrophobicContact CG-CE2 3.66Å; P798-F809 HydrophobicContact CG-CZ 3.53Å; F809-L811 HydrophobicContact CD2-CB 4.3Å; F809-L811 HydrophobicContact CE2-CB 4.26Å |
| 810 | F | 93.3 | Very high | 92.6 | Very high | 91 Ų | 91 | 47.8 Ų | 47.8 | 40% | 0.399 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.7 | 169.4 | -55.6 | -75.8 | 0 | 0 | 0 | 108.9 | I704 N705 L743 R744 | I704-F810 WeakPolarHBondContact O-CA 3.01Å; N705-F810 HydrophobicContact CB-CD1 4.47Å; N705-F810 HydrophobicContact CB-CE1 4.46Å; N705-F810 WeakPolarHBondContact OD1-CD1 3.33Å; N705-F810 WeakPolarHBondContact OD1-CE1 3.3Å; L743-F810 WeakPolarHBondContact CA-O 3.48Å; R744-F810 HydrophobicContact CB-CB 4.23Å; R744-F810 HydrophobicContact CB-CD2 4.41Å; R744-F810 PolarHBondContact N-O 2.87Å; R744-F810 PolarHBondContact O-N 2.97Å |
| 811 | L | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 110.6 | 174.9 | -174.3 | 63.5 | 0 | 0 | 0 | 108.3 | I704 Y729 V741 E742 L743 V796 P798 F809 F813 | I704-L811 HydrophobicContact CB-CB 4.39Å; I704-L811 PolarHBondContact N-O 2.86Å; I704-L811 PolarHBondContact O-N 3.09Å; Y729-L811 HydrophobicContact CD2-CD2 3.74Å; Y729-L811 HydrophobicContact CE2-CD2 4.31Å; Y729-L811 HydrophobicContact CG-CD2 4.19Å; V741-L811 HydrophobicContact CG1-CD1 3.73Å; E742-L811 WeakPolarHBondContact O-CA 3.46Å; L743-L811 HydrophobicContact CB-CD1 4.15Å; L743-L811 HydrophobicContact CD1-CD1 4.22Å; V796-L811 HydrophobicContact CG1-CD2 4.19Å; P798-L811 HydrophobicContact CG-CD2 4.3Å; F809-L811 HydrophobicContact CD2-CB 4.3Å; F809-L811 HydrophobicContact CE2-CB 4.26Å; L811-F813 HydrophobicContact CB-CE2 4.48Å; L811-F813 HydrophobicContact CD1-CZ 4.41Å; L811-F813 HydrophobicContact CD2-CE1 4.41Å; L811-F813 HydrophobicContact CD2-CE2 3.72Å; L811-F813 HydrophobicContact CD2-CZ 3.41Å; L811-F813 VanDerWaalsContact CD2-CZ 3.41Å; L811-F813 HydrophobicContact CG-CD2 4.5Å; L811-F813 HydrophobicContact CG-CE1 4.41Å; L811-F813 HydrophobicContact CG-CE2 3.66Å; L811-F813 HydrophobicContact CG-CZ 3.62Å |
| 812 | D | 93.6 | Very high | 92.5 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.8 | -177.3 | -70.5 | -39.5 | 0 | 0 | 0 | 109.9 | R703 V741 E742 R744 | R703-D812 WeakPolarHBondContact CA-OD1 3.12Å; R703-D812 WeakPolarHBondContact CB-OD1 3.38Å; R703-D812 WeakPolarHBondContact CD-OD1 3.36Å; R703-D812 WeakPolarHBondContact CG-OD1 3.23Å; R703-D812 IonicContact CZ-OD1 2.79Å; R703-D812 IonicContact CZ-OD2 3.81Å; R703-D812 IonicContact NE-OD1 2.63Å; R703-D812 PolarHBondContact NE-OD1 3.39Å; R703-D812 IonicContact NE-OD2 3.22Å; R703-D812 PolarHBondContact NE-OD2 3.39Å; R703-D812 IonicContact NH2-OD1 2.93Å; R703-D812 PolarHBondContact NH2-OD1 3.35Å; R703-D812 IonicContact NH2-OD2 2.93Å; R703-D812 PolarHBondContact NH2-OD2 2.91Å; V741-D812 CarbonylContact C-O 3.59Å; V741-D812 WeakPolarHBondContact CA-O 3.17Å; E742-D812 HydrophobicContact CB-CB 4.23Å; E742-D812 PolarHBondContact N-O 3.12Å; E742-D812 PolarHBondContact O-N 3.28Å; R744-D812 IonicContact CZ-OD2 2.67Å; R744-D812 IonicContact NE-OD2 3.57Å; R744-D812 IonicContact NH1-OD2 3.6Å; R744-D812 IonicContact NH2-OD2 2.92Å |
| 813 | F | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.8 | 172.6 | -59.4 | -84.7 | 0 | 0 | 0 | 109.1 | T701 K702 I704 I731 V741 V796 L811 L819 V821 | T701-F813 CarbonylContact C-O 3.55Å; T701-F813 WeakPolarHBondContact CA-O 3.11Å; K702-F813 PolarHBondContact N-O 3.39Å; K702-F813 PolarHBondContact O-N 3.23Å; I704-F813 HydrophobicContact CG1-CD2 4.47Å; I704-F813 HydrophobicContact CG1-CE2 4.11Å; I731-F813 HydrophobicContact CD1-CD1 4.49Å; I731-F813 HydrophobicContact CG2-CD1 3.85Å; I731-F813 HydrophobicContact CG2-CE1 3.53Å; I731-F813 HydrophobicContact CG2-CE2 4.32Å; I731-F813 HydrophobicContact CG2-CG 4.37Å; I731-F813 HydrophobicContact CG2-CZ 3.76Å; V741-F813 HydrophobicContact CB-CD1 4.49Å; V741-F813 HydrophobicContact CG1-CD1 4.06Å; V741-F813 HydrophobicContact CG1-CE1 3.84Å; V741-F813 HydrophobicContact CG2-CD1 3.87Å; V741-F813 HydrophobicContact CG2-CE1 4.12Å; V796-F813 HydrophobicContact CB-CE1 4.25Å; V796-F813 HydrophobicContact CB-CZ 4.3Å; V796-F813 HydrophobicContact CG1-CE1 4.38Å; V796-F813 HydrophobicContact CG1-CZ 4.46Å; V796-F813 HydrophobicContact CG2-CE1 3.95Å; V796-F813 HydrophobicContact CG2-CZ 4.46Å; L811-F813 HydrophobicContact CB-CE2 4.48Å; L811-F813 HydrophobicContact CD1-CZ 4.41Å; L811-F813 HydrophobicContact CD2-CE1 4.41Å; L811-F813 HydrophobicContact CD2-CE2 3.72Å; L811-F813 HydrophobicContact CD2-CZ 3.41Å; L811-F813 VanDerWaalsContact CD2-CZ 3.41Å; L811-F813 HydrophobicContact CG-CD2 4.5Å; L811-F813 HydrophobicContact CG-CE1 4.41Å; L811-F813 HydrophobicContact CG-CE2 3.66Å; L811-F813 HydrophobicContact CG-CZ 3.62Å; F813-L819 HydrophobicContact CB-CD1 3.91Å; F813-L819 HydrophobicContact CB-CD2 4.21Å; F813-V821 HydrophobicContact CD2-CG1 4.32Å; F813-V821 HydrophobicContact CD2-CG2 3.84Å; F813-V821 HydrophobicContact CE2-CG1 3.84Å; F813-V821 HydrophobicContact CE2-CG2 4.18Å; F813-V821 HydrophobicContact CG-CG2 4.31Å; F813-V821 HydrophobicContact CZ-CG1 4.43Å |
| 814 | A | 93.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110 | F698 H700 T701 L739 L740 | F698-A814 HydrophobicContact CB-CB 3.7Å; F698-A814 HydrophobicContact CD1-CB 4.13Å; F698-A814 WeakPolarHBondContact CD1-O 3.18Å; F698-A814 HydrophobicContact CD2-CB 3.92Å; F698-A814 HydrophobicContact CG-CB 3.63Å; H700-A814 CarbonylContact O-C 3.55Å; H700-A814 WeakPolarHBondContact O-CA 2.84Å; T701-A814 HydrophobicContact CG2-CB 3.87Å; L739-A814 WeakPolarHBondContact CA-O 3.39Å; L740-A814 HydrophobicContact CB-CB 4.19Å; L740-A814 HydrophobicContact CD2-CB 4.45Å; L740-A814 PolarHBondContact N-O 2.8Å; L740-A814 PolarHBondContact O-N 3.2Å |
| 815 | S | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 162.7 | 178.2 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | T699 H700 P738 S817 | T699-S815 PolarHBondContact N-O 3Å; T699-S815 VanDerWaalsContact N-O 3.14Å; H700-S815 PolarHBondContact N-O 3.21Å; H700-S815 PolarHBondContact O-N 2.79Å; P738-S815 PolarHBondContact O-OG 3.49Å; S815-S817 VanDerWaalsContact C-N 3.28Å; S815-S817 WeakPolarHBondContact CB-O 3.47Å; S815-S817 PolarHBondContact OG-N 3.19Å |
| 816 | T | 91.1 | Very high | 91.2 | Very high | 49 Ų | 49 | 50 Ų | 50 | 30% | 0.301 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -78.3 | -16.1 | 168.3 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | P697 T699 P738 | P697-T816 VanDerWaalsContact O-CG2 3.3Å; P697-T816 WeakPolarHBondContact O-CG2 3.47Å; T699-T816 PolarHBondContact OG1-O 2.77Å; T699-T816 VanDerWaalsContact OG1-O 3.13Å; P738-T816 WeakPolarHBondContact CD-OG1 3.26Å; P738-T816 HydrophobicContact CG-CG2 3.56Å |
| 817 | S | 87.4 | Confident | 91.1 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -115 | 154.5 | -179.6 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | S815 L819 | S815-S817 VanDerWaalsContact C-N 3.28Å; S815-S817 WeakPolarHBondContact CB-O 3.47Å; S815-S817 PolarHBondContact OG-N 3.19Å; S817-L819 PolarHBondContact O-N 2.76Å |
| 818 | P | 88.4 | Confident | 91.1 | Very high | 49 Ų | 49 | 49.5 Ų | 49.5 | 32% | 0.318 | 26% | 0.263 | S | S | . | . | trans | -54.7 | 135.3 | 173.1 | -24.5 | 33.7 | 0 | 0 | 0 | 111.2 | ||||
| 819 | L | 91.6 | Very high | 90.9 | Very high | 26 Ų | 26 | 47 Ų | 47 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.5 | 179 | 70.4 | 96.4 | 0 | 0 | 0 | 109.9 | K702 N732 L733 F813 S817 V821 | K702-L819 HydrophobicContact CB-CD1 3.88Å; N732-L819 WeakPolarHBondContact O-CA 3.46Å; L733-L819 HydrophobicContact CD2-CB 4.44Å; F813-L819 HydrophobicContact CB-CD1 3.91Å; F813-L819 HydrophobicContact CB-CD2 4.21Å; S817-L819 PolarHBondContact O-N 2.76Å; L819-V821 HydrophobicContact CD1-CG2 3.36Å |
| 820 | K | 92.3 | Very high | 90.7 | Very high | 134 Ų | 134 | 49.8 Ų | 49.8 | 58% | 0.583 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.1 | 172.7 | -67.6 | 174.4 | -174.9 | 165.5 | 0 | 108.9 | I731 N732 E734 | I731-K820 CarbonylContact C-O 3.53Å; I731-K820 VanDerWaalsContact CA-O 3.31Å; I731-K820 WeakPolarHBondContact CA-O 3.03Å; N732-K820 HydrophobicContact CB-CB 4.39Å; N732-K820 PolarHBondContact N-O 3.09Å; N732-K820 PolarHBondContact O-N 3.16Å; N732-K820 VanDerWaalsContact O-N 3.09Å; E734-K820 IonicContact OE1-NZ 2.7Å |
| 821 | V | 92.7 | Very high | 90.6 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.8 | 178.6 | -170.8 | 0 | 0 | 0 | 0 | 109.2 | K702 I704 Q730 I731 F813 L819 | K702-V821 HydrophobicContact CB-CG2 4.14Å; K702-V821 HydrophobicContact CG-CB 4.24Å; K702-V821 HydrophobicContact CG-CG2 3.79Å; I704-V821 HydrophobicContact CD1-CB 4.27Å; I704-V821 HydrophobicContact CD1-CG1 4Å; I704-V821 HydrophobicContact CG1-CG1 3.93Å; Q730-V821 CarbonylContact O-C 3.51Å; Q730-V821 WeakPolarHBondContact O-CA 3.15Å; I731-V821 HydrophobicContact CG2-CG1 4.2Å; I731-V821 HydrophobicContact CG2-CG2 4Å; F813-V821 HydrophobicContact CD2-CG1 4.32Å; F813-V821 HydrophobicContact CD2-CG2 3.84Å; F813-V821 HydrophobicContact CE2-CG1 3.84Å; F813-V821 HydrophobicContact CE2-CG2 4.18Å; F813-V821 HydrophobicContact CG-CG2 4.31Å; F813-V821 HydrophobicContact CZ-CG1 4.43Å; L819-V821 HydrophobicContact CD1-CG2 3.36Å |
| 822 | S | 92.6 | Very high | 90.3 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 40% | 0.399 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137.8 | 174.3 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | Q730 | Q730-S822 PolarHBondContact N-O 3.2Å; Q730-S822 PolarHBondContact O-N 2.67Å |
| 823 | Q | 91.1 | Very high | 90.1 | Very high | 119 Ų | 119 | 53 Ų | 53 | 56% | 0.556 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123 | 171.5 | -172.4 | 177 | 1.5 | 0 | 0 | 109.1 | Y729 Q825 | Y729-Q823 HydrophobicContact CD1-CB 3.92Å; Y729-Q823 HydrophobicContact CD1-CG 4.07Å; Y729-Q823 HydrophobicContact CE1-CB 3.8Å; Y729-Q823 HydrophobicContact CE1-CG 3.66Å; Q823-Q825 VanDerWaalsContact CG-O 3.29Å; Q823-Q825 WeakPolarHBondContact CG-O 3.34Å; Q823-Q825 PolarHBondContact NE2-O 3.2Å; Q823-Q825 PolarHBondContact NE2-OXT 3.41Å |
| 824 | L | 87.3 | Confident | 89.7 | Confident | 94 Ų | 94 | 57.4 Ų | 57.4 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | trans | -90 | -34.4 | 174.1 | -66.6 | -178.5 | 0 | 0 | 0 | 111.8 | I728 Q730 | I728-L824 HydrophobicContact CB-CB 4.38Å; I728-L824 HydrophobicContact CG2-CB 4.45Å; I728-L824 HydrophobicContact CG2-CD1 4.16Å; I728-L824 PolarHBondContact O-N 3.21Å; Q730-L824 HydrophobicContact CB-CD1 3.77Å; Q730-L824 HydrophobicContact CB-CD2 4.2Å; Q730-L824 HydrophobicContact CB-CG 3.77Å | ||
| 825 | Q | 75.4 | Confident | 89.4 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | trans | -146.1 | 0 | -175.5 | -172.4 | 172.5 | -32.8 | 0 | 0 | 111.4 | K724 N725 P727 I728 Q823 | K724-Q825 PolarHBondContact O-NE2 3.34Å; N725-Q825 VanDerWaalsContact C-NE2 3.33Å; N725-Q825 VanDerWaalsContact CA-NE2 3.31Å; N725-Q825 PolarHBondContact O-NE2 3.14Å; P727-Q825 VanDerWaalsContact CA-O 3.29Å; P727-Q825 WeakPolarHBondContact CA-O 3.26Å; I728-Q825 HydrophobicContact CB-CB 4.21Å; I728-Q825 HydrophobicContact CG1-CB 4.3Å; I728-Q825 PolarHBondContact N-O 3.41Å; I728-Q825 PolarHBondContact O-N 3Å; Q823-Q825 VanDerWaalsContact CG-O 3.29Å; Q823-Q825 WeakPolarHBondContact CG-O 3.34Å; Q823-Q825 PolarHBondContact NE2-O 3.2Å; Q823-Q825 PolarHBondContact NE2-OXT 3.41Å |
Retrieved 825 of 825 residues in 855.9 ms
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