| 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 | 43 | Very low | 57.1 | Low | 240 Ų | 240 | 121.7 Ų | 121.7 | 100% | 1.182 | 65% | 0.646 | S | S | * | * | 0 | 97.5 | 0 | -69.6 | 164.9 | 65.4 | 0 | 0 | 107.5 | |||||
| 2 | S | 48.8 | Very low | 58.7 | Low | 100 Ų | 100 | 120.8 Ų | 120.8 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | trans | -177.9 | 43.9 | 177.7 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | G | 46.9 | Very low | 59.8 | Low | 55 Ų | 55 | 115.5 Ų | 115.5 | 57% | 0.567 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -102.2 | -32.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | W5 | G3-W5 VanDerWaalsContact C-N 3.3Å; G3-W5 PolarHBondContact O-N 3.19Å |
| 4 | D | 47.2 | Very low | 61 | Low | 122 Ų | 122 | 112.6 Ų | 112.6 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.8 | -19.8 | -169.1 | -46.8 | -77.3 | 0 | 0 | 0 | 113.9 | D6 E7 D8 | D4-D6 PolarHBondContact O-N 3.47Å; D4-E7 WeakPolarHBondContact O-CB 3.39Å; D4-E7 PolarHBondContact O-N 3.22Å; D4-D8 WeakPolarHBondContact O-CB 3.46Å; D4-D8 PolarHBondContact O-N 3.43Å |
| 5 | W | 50.9 | Low | 62.1 | Low | 197 Ų | 197 | 110.3 Ų | 110.3 | 75% | 0.746 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.6 | -40.4 | -171.2 | -69.1 | 107.8 | 0 | 0 | 0 | 113.9 | G3 L9 | G3-W5 VanDerWaalsContact C-N 3.3Å; G3-W5 PolarHBondContact O-N 3.19Å; W5-L9 WeakPolarHBondContact O-CB 3.48Å; W5-L9 PolarHBondContact O-N 3.12Å |
| 6 | D | 55.8 | Low | 62.9 | Low | 130 Ų | 130 | 109.8 Ų | 109.8 | 70% | 0.695 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -76.9 | -36.6 | 178.7 | -69.8 | -45.4 | 0 | 0 | 0 | 112.2 | D4 D8 L9 C10 | D4-D6 PolarHBondContact O-N 3.47Å; D6-D8 VanDerWaalsContact C-N 3.35Å; D6-L9 PolarHBondContact O-N 3.22Å; D6-C10 WeakPolarHBondContact O-CB 3.24Å; D6-C10 PolarHBondContact O-N 3.41Å |
| 7 | E | 59.5 | Low | 63.5 | Low | 116 Ų | 116 | 108.2 Ų | 108.2 | 54% | 0.542 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -57.4 | -46.9 | 170.5 | -86.1 | -91.3 | 133.2 | 0 | 0 | 111.1 | D4 C10 K11 | D4-E7 WeakPolarHBondContact O-CB 3.39Å; D4-E7 PolarHBondContact O-N 3.22Å; E7-C10 PolarHBondContact O-N 2.97Å; E7-K11 WeakPolarHBondContact O-CB 3.38Å; E7-K11 WeakPolarHBondContact O-CD 3.36Å; E7-K11 VanDerWaalsContact O-CG 3.26Å; E7-K11 WeakPolarHBondContact O-CG 3.3Å; E7-K11 PolarHBondContact O-N 2.89Å; E7-K11 WeakPolarHBondContact OE2-CE 3.39Å; E7-K11 IonicContact OE2-NZ 2.73Å; E7-K11 PolarHBondContact OE2-NZ 2.83Å |
| 8 | D | 66.6 | Low | 64 | Low | 68 Ų | 68 | 108.1 Ų | 108.1 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.8 | -35.8 | 178.8 | -120.1 | 36.6 | 0 | 0 | 0 | 112.3 | D4 D6 K12 | D4-D8 WeakPolarHBondContact O-CB 3.46Å; D4-D8 PolarHBondContact O-N 3.43Å; D6-D8 VanDerWaalsContact C-N 3.35Å; D8-K12 WeakPolarHBondContact O-CB 3.18Å; D8-K12 VanDerWaalsContact O-CD 3.26Å; D8-K12 WeakPolarHBondContact O-CD 3.47Å; D8-K12 WeakPolarHBondContact O-CG 3.3Å; D8-K12 PolarHBondContact O-N 2.87Å; D8-K12 VanDerWaalsContact O-N 3.07Å; D8-K12 WeakPolarHBondContact OD2-CE 3.46Å; D8-K12 IonicContact OD2-NZ 3.51Å; D8-K12 PolarHBondContact OD2-NZ 3.5Å |
| 9 | L | 69.8 | Low | 64.5 | Low | 122 Ų | 122 | 108.1 Ų | 108.1 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67 | -44.4 | 175.4 | -138.3 | 78 | 0 | 0 | 0 | 111.1 | W5 D6 K12 A13 | W5-L9 WeakPolarHBondContact O-CB 3.48Å; W5-L9 PolarHBondContact O-N 3.12Å; D6-L9 PolarHBondContact O-N 3.22Å; L9-K12 PolarHBondContact O-N 3.26Å; L9-A13 WeakPolarHBondContact O-CB 3.27Å; L9-A13 PolarHBondContact O-N 2.84Å |
| 10 | C | 69.1 | Low | 64.9 | Low | 81 Ų | 81 | 108.7 Ų | 108.7 | 55% | 0.547 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.5 | -46.6 | 177.9 | -168.9 | 0 | 0 | 0 | 0 | 111.2 | D6 E7 K12 A13 L14 | D6-C10 WeakPolarHBondContact O-CB 3.24Å; D6-C10 PolarHBondContact O-N 3.41Å; E7-C10 PolarHBondContact O-N 2.97Å; C10-K12 PolarHBondContact O-N 2.95Å; C10-A13 PolarHBondContact O-N 3.21Å; C10-L14 PolarHBondContact O-N 3.32Å |
| 11 | K | 70.5 | Confident | 65.1 | Low | 108 Ų | 108 | 104.5 Ų | 104.5 | 47% | 0.47 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.3 | -46.7 | 176.2 | -72.3 | 163 | -168.1 | 164.1 | 0 | 112 | E7 A13 L14 T15 | E7-K11 WeakPolarHBondContact O-CB 3.38Å; E7-K11 WeakPolarHBondContact O-CD 3.36Å; E7-K11 VanDerWaalsContact O-CG 3.26Å; E7-K11 WeakPolarHBondContact O-CG 3.3Å; E7-K11 PolarHBondContact O-N 2.89Å; E7-K11 WeakPolarHBondContact OE2-CE 3.39Å; E7-K11 IonicContact OE2-NZ 2.73Å; E7-K11 PolarHBondContact OE2-NZ 2.83Å; K11-A13 PolarHBondContact O-N 2.82Å; K11-L14 WeakPolarHBondContact O-CB 3.21Å; K11-L14 PolarHBondContact O-N 3.49Å; K11-L14 VanDerWaalsContact O-N 3.14Å; K11-T15 PolarHBondContact O-N 3.42Å; K11-T15 PolarHBondContact O-OG1 2.71Å; K11-T15 VanDerWaalsContact O-OG1 3.14Å |
| 12 | K | 76 | Confident | 66.3 | Low | 111 Ų | 111 | 99 Ų | 99 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 177.7 | -71.9 | 162.1 | -165.4 | 157.9 | 0 | 112.6 | D8 L9 C10 L14 L16 | D8-K12 WeakPolarHBondContact O-CB 3.18Å; D8-K12 VanDerWaalsContact O-CD 3.26Å; D8-K12 WeakPolarHBondContact O-CD 3.47Å; D8-K12 WeakPolarHBondContact O-CG 3.3Å; D8-K12 PolarHBondContact O-N 2.87Å; D8-K12 VanDerWaalsContact O-N 3.07Å; D8-K12 WeakPolarHBondContact OD2-CE 3.46Å; D8-K12 IonicContact OD2-NZ 3.51Å; D8-K12 PolarHBondContact OD2-NZ 3.5Å; L9-K12 PolarHBondContact O-N 3.26Å; C10-K12 PolarHBondContact O-N 2.95Å; K12-L14 VanDerWaalsContact C-N 3.33Å; K12-L16 WeakPolarHBondContact O-CG 3.47Å; K12-L16 PolarHBondContact O-N 3.48Å; K12-L16 VanDerWaalsContact O-N 3.09Å |
| 13 | A | 73.4 | Confident | 67.1 | Low | 51 Ų | 51 | 100.2 Ų | 100.2 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L9 C10 K11 L16 L17 | L9-A13 WeakPolarHBondContact O-CB 3.27Å; L9-A13 PolarHBondContact O-N 2.84Å; C10-A13 PolarHBondContact O-N 3.21Å; K11-A13 PolarHBondContact O-N 2.82Å; A13-L16 PolarHBondContact O-N 2.87Å; A13-L17 WeakPolarHBondContact O-CG 3.36Å; A13-L17 PolarHBondContact O-N 3.48Å |
| 14 | L | 77.1 | Confident | 67.3 | Low | 76 Ų | 76 | 100.6 Ų | 100.6 | 40% | 0.398 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 177.8 | -132.6 | 144.1 | 0 | 0 | 0 | 111.9 | C10 K11 K12 L17 E18 F37 V41 | C10-L14 PolarHBondContact O-N 3.32Å; K11-L14 WeakPolarHBondContact O-CB 3.21Å; K11-L14 PolarHBondContact O-N 3.49Å; K11-L14 VanDerWaalsContact O-N 3.14Å; K12-L14 VanDerWaalsContact C-N 3.33Å; L14-L17 PolarHBondContact O-N 2.85Å; L14-E18 PolarHBondContact O-N 2.87Å; L14-F37 HydrophobicContact CD2-CZ 3.86Å; L14-F37 HydrophobicContact CG-CZ 4.24Å; L14-V41 HydrophobicContact CD2-CG2 4.49Å |
| 15 | T | 77 | Confident | 67.8 | Low | 78 Ų | 78 | 103.2 Ų | 103.2 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 173 | -50.5 | 0 | 0 | 0 | 0 | 112.1 | K11 L17 E18 E19 | K11-T15 PolarHBondContact O-N 3.42Å; K11-T15 PolarHBondContact O-OG1 2.71Å; K11-T15 VanDerWaalsContact O-OG1 3.14Å; T15-L17 PolarHBondContact O-N 2.96Å; T15-E18 PolarHBondContact O-N 3.45Å; T15-E19 PolarHBondContact O-N 3.34Å |
| 16 | L | 75.4 | Confident | 67.9 | Low | 102 Ų | 102 | 105.4 Ų | 105.4 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 175.8 | -76.1 | 167.6 | 0 | 0 | 0 | 112.6 | K12 A13 E18 L20 | K12-L16 WeakPolarHBondContact O-CG 3.47Å; K12-L16 PolarHBondContact O-N 3.48Å; K12-L16 VanDerWaalsContact O-N 3.09Å; A13-L16 PolarHBondContact O-N 2.87Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CD1 3.33Å; L16-L20 WeakPolarHBondContact O-CG 3.42Å; L16-L20 PolarHBondContact O-N 2.94Å |
| 17 | L | 71.8 | Confident | 67.7 | Low | 82 Ų | 82 | 105 Ų | 105 | 43% | 0.429 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 173.4 | -79.4 | 164.2 | 0 | 0 | 0 | 112.2 | A13 L14 T15 C21 F37 | A13-L17 WeakPolarHBondContact O-CG 3.36Å; A13-L17 PolarHBondContact O-N 3.48Å; L14-L17 PolarHBondContact O-N 2.85Å; T15-L17 PolarHBondContact O-N 2.96Å; L17-C21 WeakPolarHBondContact O-CB 3.46Å; L17-C21 PolarHBondContact O-N 2.78Å; L17-F37 HydrophobicContact CB-CE1 4.14Å; L17-F37 HydrophobicContact CB-CZ 3.94Å; L17-F37 HydrophobicContact CD1-CE2 4.27Å; L17-F37 HydrophobicContact CD1-CZ 4.35Å |
| 18 | E | 73.3 | Confident | 67.3 | Low | 107 Ų | 107 | 106.7 Ų | 106.7 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.2 | -47.6 | 176 | -163.3 | 171.1 | -166.4 | 0 | 0 | 111.6 | L14 T15 L16 L20 C21 F22 | L14-E18 PolarHBondContact O-N 2.87Å; T15-E18 PolarHBondContact O-N 3.45Å; L16-E18 VanDerWaalsContact C-N 3.33Å; E18-L20 PolarHBondContact O-N 3.04Å; E18-C21 PolarHBondContact O-N 2.88Å; E18-F22 HydrophobicContact CG-CD2 3.75Å; E18-F22 HydrophobicContact CG-CE2 4.21Å; E18-F22 WeakPolarHBondContact O-CB 3.33Å; E18-F22 VanDerWaalsContact O-CD2 3.31Å; E18-F22 WeakPolarHBondContact O-CD2 3.23Å; E18-F22 PolarHBondContact O-N 3.35Å |
| 19 | E | 72.6 | Confident | 66.6 | Low | 107 Ų | 107 | 107.5 Ų | 107.5 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 175.2 | -71.1 | -162.1 | 123.9 | 0 | 0 | 112.5 | T15 N23 | T15-E19 PolarHBondContact O-N 3.34Å; E19-N23 WeakPolarHBondContact O-CA 3.45Å; E19-N23 VanDerWaalsContact O-CB 3.24Å; E19-N23 WeakPolarHBondContact O-CB 3.31Å; E19-N23 PolarHBondContact O-N 3.01Å |
| 20 | L | 72.5 | Confident | 65.8 | Low | 120 Ų | 120 | 110.2 Ų | 110.2 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.1 | -40.7 | 179.7 | -74.2 | 168.6 | 0 | 0 | 0 | 112.8 | L16 E18 | L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CD1 3.33Å; L16-L20 WeakPolarHBondContact O-CG 3.42Å; L16-L20 PolarHBondContact O-N 2.94Å; E18-L20 PolarHBondContact O-N 3.04Å |
| 21 | C | 70.3 | Confident | 65.6 | Low | 22 Ų | 22 | 108.2 Ų | 108.2 | 15% | 0.149 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -79.5 | -29.6 | -179.8 | -80.5 | 0 | 0 | 0 | 0 | 114 | L17 E18 C34 | L17-C21 WeakPolarHBondContact O-CB 3.46Å; L17-C21 PolarHBondContact O-N 2.78Å; E18-C21 PolarHBondContact O-N 2.88Å; C21-C34 VanDerWaalsContact CA-SG 3.56Å; C21-C34 HydrophobicContact CB-CB 3.75Å; C21-C34 WeakPolarHBondContact CB-SG 3.14Å; C21-C34 VanDerWaalsContact SG-CA 3.56Å; C21-C34 WeakPolarHBondContact SG-CB 3.38Å; C21-C34 CovalentContact SG-SG 2.05Å; C21-C34 PolarHBondContact SG-SG 3.14Å |
| 22 | F | 68.1 | Low | 65 | Low | 123 Ų | 123 | 111 Ų | 111 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -114.7 | -24 | -171.1 | -63.2 | -70.2 | 0 | 0 | 0 | 115.9 | E18 | E18-F22 HydrophobicContact CG-CD2 3.75Å; E18-F22 HydrophobicContact CG-CE2 4.21Å; E18-F22 WeakPolarHBondContact O-CB 3.33Å; E18-F22 VanDerWaalsContact O-CD2 3.31Å; E18-F22 WeakPolarHBondContact O-CD2 3.23Å; E18-F22 PolarHBondContact O-N 3.35Å |
| 23 | N | 65.4 | Low | 64.5 | Low | 127 Ų | 127 | 113.1 Ų | 113.1 | 68% | 0.679 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -10.5 | -172.6 | -143.2 | 6 | 0 | 0 | 0 | 113.8 | E19 | E19-N23 WeakPolarHBondContact O-CA 3.45Å; E19-N23 VanDerWaalsContact O-CB 3.24Å; E19-N23 WeakPolarHBondContact O-CB 3.31Å; E19-N23 PolarHBondContact O-N 3.01Å |
| 24 | S | 52.1 | Low | 64.3 | Low | 62 Ų | 62 | 111.7 Ų | 111.7 | 43% | 0.434 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -76.2 | 134.4 | 178.1 | -172.1 | 0 | 0 | 0 | 0 | 112.7 | R26 | S24-R26 PolarHBondContact O-N 2.72Š|
| 25 | Q | 56 | Low | 63.6 | Low | 178 Ų | 178 | 113.3 Ų | 113.3 | 83% | 0.832 | 56% | 0.56 | S | S | * | * | trans | -63.1 | 98 | -171.2 | -70.5 | -178.9 | -49.4 | 0 | 0 | 113.6 | V27 | Q25-V27 PolarHBondContact O-N 3.29Š| ||
| 26 | R | 53.8 | Low | 63.1 | Low | 243 Ų | 243 | 116.1 Ų | 116.1 | 92% | 0.917 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 56.3 | -14.4 | 162.1 | -77.9 | -172.4 | 173.3 | -178 | -1.3 | 119.8 | S24 | S24-R26 PolarHBondContact O-N 2.72Š|
| 27 | V | 52.1 | Low | 62.8 | Low | 120 Ų | 120 | 113.5 Ų | 113.5 | 73% | 0.727 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -86.5 | -34.1 | -173.7 | -179.3 | 0 | 0 | 0 | 0 | 113.1 | Q25 | Q25-V27 PolarHBondContact O-N 3.29Š|
| 28 | Y | 51.5 | Low | 62.3 | Low | 152 Ų | 152 | 111.3 Ų | 111.3 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -94.6 | -7 | -174.2 | -77.1 | -83.1 | 0 | 0 | 0 | 115.6 | Q30 S31 | Y28-Q30 PolarHBondContact O-N 3.24Å; Y28-S31 PolarHBondContact O-N 2.98Å |
| 29 | S | 50.8 | Low | 61.7 | Low | 86 Ų | 86 | 115 Ų | 115 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -9.4 | -173.8 | -176.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 30 | Q | 53.8 | Low | 61.2 | Low | 179 Ų | 179 | 115.8 Ų | 115.8 | 84% | 0.836 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 6.5 | 176.7 | -68 | -172.3 | -14.8 | 0 | 0 | 114.7 | Y28 K32 | Y28-Q30 PolarHBondContact O-N 3.24Å; Q30-K32 PolarHBondContact O-N 3.48Å |
| 31 | S | 63.5 | Low | 60.7 | Low | 38 Ų | 38 | 112.4 Ų | 112.4 | 27% | 0.266 | 55% | 0.545 | S | S | . | . | trans | -67.3 | 124 | 172.1 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | Y28 Q33 C34 Q35 | Y28-S31 PolarHBondContact O-N 2.98Å; S31-Q33 PolarHBondContact O-N 2.86Å; S31-Q33 VanDerWaalsContact O-N 3.15Å; S31-Q33 PolarHBondContact OG-N 2.92Å; S31-C34 PolarHBondContact O-N 2.92Å; S31-C34 VanDerWaalsContact O-N 3.15Å; S31-Q35 PolarHBondContact O-N 3.45Å | ||
| 32 | K | 59 | Low | 60.1 | Low | 167 Ų | 167 | 120.5 Ų | 120.5 | 73% | 0.726 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -53 | -34.5 | 174.1 | -77.9 | -171.4 | 172.5 | -173.2 | 0 | 112.5 | Q30 C34 Q35 E36 | Q30-K32 PolarHBondContact O-N 3.48Å; K32-C34 PolarHBondContact O-N 3.42Å; K32-Q35 WeakPolarHBondContact O-CB 3.28Å; K32-Q35 PolarHBondContact O-N 3.35Å; K32-Q35 VanDerWaalsContact O-N 3.13Å; K32-E36 PolarHBondContact O-N 2.92Å |
| 33 | Q | 66.1 | Low | 59.3 | Low | 155 Ų | 155 | 116.5 Ų | 116.5 | 72% | 0.724 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.3 | -39.5 | -178.4 | -68.1 | 168.3 | -34.9 | 0 | 0 | 112 | S31 Q35 F37 | S31-Q33 PolarHBondContact O-N 2.86Å; S31-Q33 VanDerWaalsContact O-N 3.15Å; S31-Q33 PolarHBondContact OG-N 2.92Å; Q33-Q35 VanDerWaalsContact C-N 3.32Å; Q33-Q35 PolarHBondContact O-N 2.96Å; Q33-F37 WeakPolarHBondContact O-CB 3.47Å; Q33-F37 PolarHBondContact O-N 3.38Å |
| 34 | C | 68.5 | Low | 58.6 | Low | 22 Ų | 22 | 116.5 Ų | 116.5 | 15% | 0.149 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -68.7 | -30.4 | 173.1 | -72 | 0 | 0 | 0 | 0 | 112.3 | C21 S31 K32 S38 | C21-C34 VanDerWaalsContact CA-SG 3.56Å; C21-C34 HydrophobicContact CB-CB 3.75Å; C21-C34 WeakPolarHBondContact CB-SG 3.14Å; C21-C34 VanDerWaalsContact SG-CA 3.56Å; C21-C34 WeakPolarHBondContact SG-CB 3.38Å; C21-C34 CovalentContact SG-SG 2.05Å; C21-C34 PolarHBondContact SG-SG 3.14Å; S31-C34 PolarHBondContact O-N 2.92Å; S31-C34 VanDerWaalsContact O-N 3.15Å; K32-C34 PolarHBondContact O-N 3.42Å; C34-S38 WeakPolarHBondContact O-CB 3.38Å; C34-S38 PolarHBondContact O-N 2.73Å; C34-S38 VanDerWaalsContact O-N 3.09Å |
| 35 | Q | 63.2 | Low | 58.3 | Low | 110 Ų | 110 | 119 Ų | 119 | 51% | 0.514 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.6 | -45.6 | 174.8 | -69.2 | -172 | -17.7 | 0 | 0 | 112.1 | S31 K32 Q33 F37 S38 Y39 | S31-Q35 PolarHBondContact O-N 3.45Å; K32-Q35 WeakPolarHBondContact O-CB 3.28Å; K32-Q35 PolarHBondContact O-N 3.35Å; K32-Q35 VanDerWaalsContact O-N 3.13Å; Q33-Q35 VanDerWaalsContact C-N 3.32Å; Q33-Q35 PolarHBondContact O-N 2.96Å; Q35-F37 PolarHBondContact O-N 2.89Å; Q35-S38 WeakPolarHBondContact O-CB 3.27Å; Q35-S38 PolarHBondContact O-N 2.91Å; Q35-Y39 WeakPolarHBondContact O-CD2 3.45Å; Q35-Y39 PolarHBondContact O-N 3.1Å; Q35-Y39 VanDerWaalsContact O-N 3.12Å |
| 36 | E | 65.2 | Low | 57.7 | Low | 136 Ų | 136 | 120.3 Ų | 120.3 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.7 | -39.6 | 175.5 | -71.3 | -169.3 | 159.1 | 0 | 0 | 112.2 | K32 S38 Y39 L40 | K32-E36 PolarHBondContact O-N 2.92Å; E36-S38 VanDerWaalsContact C-N 3.32Å; E36-S38 PolarHBondContact O-N 3.42Å; E36-Y39 PolarHBondContact O-N 2.74Å; E36-L40 PolarHBondContact O-N 3.22Å |
| 37 | F | 69.6 | Low | 57.2 | Low | 47 Ų | 47 | 114.1 Ų | 114.1 | 21% | 0.206 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 172.5 | -174.4 | -108.5 | 0 | 0 | 0 | 112.2 | L14 L17 Q33 Q35 Y39 L40 V41 | L14-F37 HydrophobicContact CD2-CZ 3.86Å; L14-F37 HydrophobicContact CG-CZ 4.24Å; L17-F37 HydrophobicContact CB-CE1 4.14Å; L17-F37 HydrophobicContact CB-CZ 3.94Å; L17-F37 HydrophobicContact CD1-CE2 4.27Å; L17-F37 HydrophobicContact CD1-CZ 4.35Å; Q33-F37 WeakPolarHBondContact O-CB 3.47Å; Q33-F37 PolarHBondContact O-N 3.38Å; Q35-F37 PolarHBondContact O-N 2.89Å; F37-Y39 VanDerWaalsContact C-N 3.33Å; F37-Y39 PolarHBondContact O-N 2.96Å; F37-L40 PolarHBondContact O-N 3.35Å; F37-V41 HydrophobicContact CD1-CG2 4.35Å; F37-V41 HydrophobicContact CD2-CG2 4.38Å; F37-V41 HydrophobicContact CE1-CG2 4Å; F37-V41 HydrophobicContact CE2-CG2 4.03Å; F37-V41 HydrophobicContact CZ-CG2 3.84Å; F37-V41 WeakPolarHBondContact O-CG2 3.37Å; F37-V41 PolarHBondContact O-N 3.46Å |
| 38 | S | 61 | Low | 57 | Low | 37 Ų | 37 | 112 Ų | 112 | 26% | 0.259 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 175.9 | -167.8 | 0 | 0 | 0 | 0 | 113 | C34 Q35 E36 R42 | C34-S38 WeakPolarHBondContact O-CB 3.38Å; C34-S38 PolarHBondContact O-N 2.73Å; C34-S38 VanDerWaalsContact O-N 3.09Å; Q35-S38 WeakPolarHBondContact O-CB 3.27Å; Q35-S38 PolarHBondContact O-N 2.91Å; E36-S38 VanDerWaalsContact C-N 3.32Å; E36-S38 PolarHBondContact O-N 3.42Å; S38-R42 WeakPolarHBondContact O-CB 3.41Å; S38-R42 PolarHBondContact O-N 3.48Å |
| 39 | Y | 61 | Low | 56.9 | Low | 184 Ų | 184 | 110.8 Ų | 110.8 | 72% | 0.722 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.8 | -43.1 | 173.9 | -84.4 | -73.4 | 0 | 0 | 0 | 112.5 | Q35 E36 F37 R42 G43 | Q35-Y39 WeakPolarHBondContact O-CD2 3.45Å; Q35-Y39 PolarHBondContact O-N 3.1Å; Q35-Y39 VanDerWaalsContact O-N 3.12Å; E36-Y39 PolarHBondContact O-N 2.74Å; F37-Y39 VanDerWaalsContact C-N 3.33Å; F37-Y39 PolarHBondContact O-N 2.96Å; Y39-R42 PolarHBondContact O-N 3.49Å; Y39-G43 PolarHBondContact O-N 3.14Å |
| 40 | L | 62 | Low | 56.7 | Low | 123 Ų | 123 | 110.9 Ų | 110.9 | 64% | 0.644 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.4 | -49.7 | 177.9 | -80 | 163 | 0 | 0 | 0 | 112.1 | E36 F37 R42 G43 H44 | E36-L40 PolarHBondContact O-N 3.22Å; F37-L40 PolarHBondContact O-N 3.35Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 2.94Å; L40-G43 PolarHBondContact O-N 2.96Å; L40-H44 PolarHBondContact O-N 3.03Å |
| 41 | V | 62.2 | Low | 56.5 | Low | 49 Ų | 49 | 107.8 Ų | 107.8 | 30% | 0.297 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -37.5 | -179.8 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | L14 F37 N45 | L14-V41 HydrophobicContact CD2-CG2 4.49Å; F37-V41 HydrophobicContact CD1-CG2 4.35Å; F37-V41 HydrophobicContact CD2-CG2 4.38Å; F37-V41 HydrophobicContact CE1-CG2 4Å; F37-V41 HydrophobicContact CE2-CG2 4.03Å; F37-V41 HydrophobicContact CZ-CG2 3.84Å; F37-V41 WeakPolarHBondContact O-CG2 3.37Å; F37-V41 PolarHBondContact O-N 3.46Å; V41-N45 PolarHBondContact O-N 2.9Å |
| 42 | R | 57.9 | Low | 56.2 | Low | 193 Ų | 193 | 110.9 Ų | 110.9 | 73% | 0.728 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.4 | -29.3 | 174.4 | -82.8 | -175.9 | 166.8 | -177 | -1.6 | 114.2 | S38 Y39 L40 | S38-R42 WeakPolarHBondContact O-CB 3.41Å; S38-R42 PolarHBondContact O-N 3.48Å; Y39-R42 PolarHBondContact O-N 3.49Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-R42 PolarHBondContact O-N 2.94Å |
| 43 | G | 50.3 | Low | 56.1 | Low | 38 Ų | 38 | 105.7 Ų | 105.7 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.2 | -52.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y39 L40 N45 R46 | Y39-G43 PolarHBondContact O-N 3.14Å; L40-G43 PolarHBondContact O-N 2.96Å; G43-N45 PolarHBondContact O-N 3.33Å; G43-R46 PolarHBondContact O-N 3.02Å; G43-R46 VanDerWaalsContact O-N 3.16Å |
| 44 | H | 50.5 | Low | 55.8 | Low | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.6 | -46.8 | -172 | -153.5 | 55.7 | 0 | 0 | 0 | 112.6 | L40 R46 Q47 L48 | L40-H44 PolarHBondContact O-N 3.03Å; H44-R46 PolarHBondContact O-N 3.06Å; H44-R46 VanDerWaalsContact O-N 3.14Å; H44-Q47 PolarHBondContact O-N 2.83Å; H44-L48 PolarHBondContact O-N 2.93Å |
| 45 | N | 45.7 | Very low | 55.9 | Low | 116 Ų | 116 | 105.1 Ų | 105.1 | 62% | 0.62 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.3 | -5.1 | -179.6 | -88.9 | -25.6 | 0 | 0 | 0 | 115.4 | V41 G43 | V41-N45 PolarHBondContact O-N 2.9Å; G43-N45 PolarHBondContact O-N 3.33Å |
| 46 | R | 44.3 | Very low | 56.4 | Low | 205 Ų | 205 | 105 Ų | 105 | 77% | 0.774 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -101.6 | -20.8 | 173.3 | -68.2 | -171.4 | 71.2 | 169.4 | 2.2 | 113.5 | G43 H44 T50 | G43-R46 PolarHBondContact O-N 3.02Å; G43-R46 VanDerWaalsContact O-N 3.16Å; H44-R46 PolarHBondContact O-N 3.06Å; H44-R46 VanDerWaalsContact O-N 3.14Å; R46-T50 PolarHBondContact O-OG1 3.34Å |
| 47 | Q | 43 | Very low | 56.7 | Low | 112 Ų | 112 | 103.9 Ų | 103.9 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -96.6 | -40.8 | -171.3 | -162.1 | 160.2 | -4 | 0 | 0 | 112.6 | H44 T50 E51 | H44-Q47 PolarHBondContact O-N 2.83Å; Q47-T50 PolarHBondContact O-N 2.79Å; Q47-E51 HydrophobicContact CG-CG 4.16Å; Q47-E51 VanDerWaalsContact CG-OE1 3.24Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.46Å; Q47-E51 PolarHBondContact NE2-OE1 2.8Å; Q47-E51 WeakPolarHBondContact O-CB 3.41Å; Q47-E51 PolarHBondContact O-N 3.13Å |
| 48 | L | 48.9 | Very low | 57.2 | Low | 77 Ų | 77 | 104.8 Ų | 104.8 | 40% | 0.403 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.2 | -56.8 | -178.5 | -87.9 | 164.9 | 0 | 0 | 0 | 113.8 | H44 T50 E51 I52 | H44-L48 PolarHBondContact O-N 2.93Å; L48-T50 VanDerWaalsContact C-N 3.25Å; L48-T50 PolarHBondContact O-N 3.41Å; L48-E51 PolarHBondContact O-N 2.9Å; L48-I52 HydrophobicContact CD2-CD1 3.87Å; L48-I52 WeakPolarHBondContact O-CB 3.41Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 2.92Å; L48-I52 VanDerWaalsContact O-N 3.1Å |
| 49 | D | 48.2 | Very low | 58.3 | Low | 126 Ų | 126 | 107.2 Ų | 107.2 | 67% | 0.674 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.4 | -32.6 | -177.1 | -72.2 | -27 | 0 | 0 | 0 | 113 | S53 | D49-S53 WeakPolarHBondContact O-CB 3.48Å; D49-S53 PolarHBondContact O-N 3.41Å; D49-S53 PolarHBondContact O-OG 3.1Å |
| 50 | T | 47.8 | Very low | 59.6 | Low | 87 Ų | 87 | 102.8 Ų | 102.8 | 53% | 0.534 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -81.7 | -39.5 | -175 | -45.3 | 0 | 0 | 0 | 0 | 111.7 | R46 Q47 L48 S53 V54 | R46-T50 PolarHBondContact O-OG1 3.34Å; Q47-T50 PolarHBondContact O-N 2.79Å; L48-T50 VanDerWaalsContact C-N 3.25Å; L48-T50 PolarHBondContact O-N 3.41Å; T50-S53 PolarHBondContact O-OG 3.23Å; T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.3Å; T50-V54 PolarHBondContact O-N 2.71Å |
| 51 | E | 48.8 | Very low | 61 | Low | 114 Ų | 114 | 101.8 Ų | 101.8 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -77.6 | -38.7 | 179.5 | -70.6 | -176.9 | -178.7 | 0 | 0 | 112.6 | Q47 L48 S55 | Q47-E51 HydrophobicContact CG-CG 4.16Å; Q47-E51 VanDerWaalsContact CG-OE1 3.24Å; Q47-E51 WeakPolarHBondContact CG-OE1 3.46Å; Q47-E51 PolarHBondContact NE2-OE1 2.8Å; Q47-E51 WeakPolarHBondContact O-CB 3.41Å; Q47-E51 PolarHBondContact O-N 3.13Å; L48-E51 PolarHBondContact O-N 2.9Å; E51-S55 WeakPolarHBondContact O-CB 3.4Å; E51-S55 PolarHBondContact O-N 3.01Å |
| 52 | I | 57.3 | Low | 62.2 | Low | 104 Ų | 104 | 103.1 Ų | 103.1 | 53% | 0.533 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 179.2 | -67.8 | 171 | 0 | 0 | 0 | 110.9 | L48 L56 | L48-I52 HydrophobicContact CD2-CD1 3.87Å; L48-I52 WeakPolarHBondContact O-CB 3.41Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 2.92Å; L48-I52 VanDerWaalsContact O-N 3.1Å; I52-L56 VanDerWaalsContact O-CB 3.3Å; I52-L56 WeakPolarHBondContact O-CB 3.2Å; I52-L56 PolarHBondContact O-N 3.39Å |
| 53 | S | 57.5 | Low | 63.8 | Low | 58 Ų | 58 | 101 Ų | 101 | 41% | 0.406 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.2 | -44.3 | -178.8 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | D49 T50 L57 | D49-S53 WeakPolarHBondContact O-CB 3.48Å; D49-S53 PolarHBondContact O-N 3.41Å; D49-S53 PolarHBondContact O-OG 3.1Å; T50-S53 PolarHBondContact O-OG 3.23Å; S53-L57 WeakPolarHBondContact O-CB 3.41Å; S53-L57 WeakPolarHBondContact O-CG 3.37Å; S53-L57 PolarHBondContact O-N 3.27Å; S53-L57 VanDerWaalsContact O-N 3.14Å |
| 54 | V | 59.1 | Low | 65.8 | Low | 93 Ų | 93 | 102.2 Ų | 102.2 | 56% | 0.564 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.9 | -41.6 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | T50 L57 S58 | T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.3Å; T50-V54 PolarHBondContact O-N 2.71Å; V54-L57 PolarHBondContact O-N 3.49Å; V54-S58 WeakPolarHBondContact O-CB 3.32Å; V54-S58 PolarHBondContact O-N 3.3Å |
| 55 | S | 70.2 | Confident | 67.9 | Low | 72 Ų | 72 | 97.9 Ų | 97.9 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 178.9 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | E51 L57 S58 V59 | E51-S55 WeakPolarHBondContact O-CB 3.4Å; E51-S55 PolarHBondContact O-N 3.01Å; S55-L57 PolarHBondContact O-N 3.5Å; S55-S58 WeakPolarHBondContact O-CB 3.5Å; S55-S58 PolarHBondContact O-N 2.62Å; S55-V59 WeakPolarHBondContact O-CG2 3.23Å; S55-V59 PolarHBondContact O-N 3.35Å |
| 56 | L | 74.3 | Confident | 70.2 | Confident | 108 Ų | 108 | 97.9 Ų | 97.9 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 177.2 | -167 | 79.1 | 0 | 0 | 0 | 111.8 | I52 S58 V59 I60 | I52-L56 VanDerWaalsContact O-CB 3.3Å; I52-L56 WeakPolarHBondContact O-CB 3.2Å; I52-L56 PolarHBondContact O-N 3.39Å; L56-S58 VanDerWaalsContact C-N 3.35Å; L56-S58 PolarHBondContact O-N 2.9Å; L56-V59 PolarHBondContact O-N 3.39Å; L56-I60 HydrophobicContact CD2-CD1 4.23Å; L56-I60 HydrophobicContact CG-CD1 3.91Å; L56-I60 WeakPolarHBondContact O-CB 3.27Å; L56-I60 VanDerWaalsContact O-CG1 3.27Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 2.62Å |
| 57 | L | 72 | Confident | 72.5 | Confident | 111 Ų | 111 | 91.1 Ų | 91.1 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 175.5 | -77.1 | 168.6 | 0 | 0 | 0 | 111.9 | S53 V54 S55 I60 V61 | S53-L57 WeakPolarHBondContact O-CB 3.41Å; S53-L57 WeakPolarHBondContact O-CG 3.37Å; S53-L57 PolarHBondContact O-N 3.27Å; S53-L57 VanDerWaalsContact O-N 3.14Å; V54-L57 PolarHBondContact O-N 3.49Å; S55-L57 PolarHBondContact O-N 3.5Å; L57-I60 PolarHBondContact O-N 2.66Å; L57-V61 WeakPolarHBondContact O-CB 3.25Å; L57-V61 VanDerWaalsContact O-CG2 3.28Å; L57-V61 WeakPolarHBondContact O-CG2 3.28Å; L57-V61 PolarHBondContact O-N 3.2Å |
| 58 | S | 79.6 | Confident | 75 | Confident | 67 Ų | 67 | 91.3 Ų | 91.3 | 47% | 0.469 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 175.7 | -172.3 | 0 | 0 | 0 | 0 | 112.2 | V54 S55 L56 V61 T62 | V54-S58 WeakPolarHBondContact O-CB 3.32Å; V54-S58 PolarHBondContact O-N 3.3Å; S55-S58 WeakPolarHBondContact O-CB 3.5Å; S55-S58 PolarHBondContact O-N 2.62Å; L56-S58 VanDerWaalsContact C-N 3.35Å; L56-S58 PolarHBondContact O-N 2.9Å; S58-V61 PolarHBondContact O-N 3.43Å; S58-T62 WeakPolarHBondContact O-CB 3.38Å; S58-T62 WeakPolarHBondContact O-CG2 3.46Å; S58-T62 PolarHBondContact O-N 3.04Å; S58-T62 PolarHBondContact O-OG1 3.28Å |
| 59 | V | 84.3 | Confident | 77.1 | Confident | 87 Ų | 87 | 92.7 Ų | 92.7 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | S55 L56 T62 F63 | S55-V59 WeakPolarHBondContact O-CG2 3.23Å; S55-V59 PolarHBondContact O-N 3.35Å; L56-V59 PolarHBondContact O-N 3.39Å; V59-T62 WeakPolarHBondContact CA-OG1 3.35Å; V59-T62 PolarHBondContact O-OG1 3.06Å; V59-T62 VanDerWaalsContact O-OG1 3.14Å; V59-F63 VanDerWaalsContact O-CB 3.23Å; V59-F63 WeakPolarHBondContact O-CB 3.42Å; V59-F63 PolarHBondContact O-N 2.76Å |
| 60 | I | 88.3 | Confident | 79.2 | Confident | 92 Ų | 92 | 89.7 Ų | 89.7 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 177.6 | -70.1 | 166.9 | 0 | 0 | 0 | 111 | L56 L57 C64 | L56-I60 HydrophobicContact CD2-CD1 4.23Å; L56-I60 HydrophobicContact CG-CD1 3.91Å; L56-I60 WeakPolarHBondContact O-CB 3.27Å; L56-I60 VanDerWaalsContact O-CG1 3.27Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 2.62Å; L57-I60 PolarHBondContact O-N 2.66Å; I60-C64 WeakPolarHBondContact O-CB 3.14Å; I60-C64 PolarHBondContact O-N 3.17Å |
| 61 | V | 90.3 | Very high | 81.4 | Confident | 101 Ų | 101 | 89.5 Ų | 89.5 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -42.4 | -179.8 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | L57 S58 G65 | L57-V61 WeakPolarHBondContact O-CB 3.25Å; L57-V61 VanDerWaalsContact O-CG2 3.28Å; L57-V61 WeakPolarHBondContact O-CG2 3.28Å; L57-V61 PolarHBondContact O-N 3.2Å; S58-V61 PolarHBondContact O-N 3.43Å; V61-G65 PolarHBondContact O-N 3.03Å |
| 62 | T | 87.6 | Confident | 83.4 | Confident | 78 Ų | 78 | 87.3 Ų | 87.3 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 177.4 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | S58 V59 G65 I66 | S58-T62 WeakPolarHBondContact O-CB 3.38Å; S58-T62 WeakPolarHBondContact O-CG2 3.46Å; S58-T62 PolarHBondContact O-N 3.04Å; S58-T62 PolarHBondContact O-OG1 3.28Å; V59-T62 WeakPolarHBondContact CA-OG1 3.35Å; V59-T62 PolarHBondContact O-OG1 3.06Å; V59-T62 VanDerWaalsContact O-OG1 3.14Å; T62-G65 PolarHBondContact O-N 3.22Å; T62-I66 WeakPolarHBondContact O-CG1 3.44Å; T62-I66 PolarHBondContact O-N 3.25Å |
| 63 | F | 92.4 | Very high | 85.1 | Confident | 147 Ų | 147 | 87.6 Ų | 87.6 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 176 | -175.1 | -97.3 | 0 | 0 | 0 | 112 | V59 G65 I66 V67 | V59-F63 VanDerWaalsContact O-CB 3.23Å; V59-F63 WeakPolarHBondContact O-CB 3.42Å; V59-F63 PolarHBondContact O-N 2.76Å; F63-G65 VanDerWaalsContact C-N 3.31Å; F63-G65 PolarHBondContact O-N 3.34Å; F63-I66 PolarHBondContact O-N 2.84Å; F63-V67 HydrophobicContact CD1-CG2 4.29Å; F63-V67 HydrophobicContact CE1-CG2 3.95Å; F63-V67 HydrophobicContact CZ-CG2 4.2Å; F63-V67 WeakPolarHBondContact O-CG2 3.31Å; F63-V67 PolarHBondContact O-N 2.79Å |
| 64 | C | 92.1 | Very high | 86.6 | Confident | 64 Ų | 64 | 91.6 Ų | 91.6 | 43% | 0.432 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 176.6 | -168.9 | 0 | 0 | 0 | 0 | 111.6 | I60 I66 V67 L68 | I60-C64 WeakPolarHBondContact O-CB 3.14Å; I60-C64 PolarHBondContact O-N 3.17Å; C64-I66 PolarHBondContact O-N 3.39Å; C64-V67 PolarHBondContact O-N 3Å; C64-L68 WeakPolarHBondContact O-CB 3.29Å; C64-L68 WeakPolarHBondContact O-CG 3.31Å; C64-L68 PolarHBondContact O-N 2.69Å |
| 65 | G | 94.2 | Very high | 88 | Confident | 36 Ų | 36 | 90.6 Ų | 90.6 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V61 T62 F63 L68 L69 | V61-G65 PolarHBondContact O-N 3.03Å; T62-G65 PolarHBondContact O-N 3.22Å; F63-G65 VanDerWaalsContact C-N 3.31Å; F63-G65 PolarHBondContact O-N 3.34Å; G65-L68 PolarHBondContact O-N 3.2Å; G65-L69 VanDerWaalsContact O-CB 3.31Å; G65-L69 WeakPolarHBondContact O-CB 3.12Å; G65-L69 PolarHBondContact O-N 3.08Å |
| 66 | I | 93.9 | Very high | 88.8 | Confident | 116 Ų | 116 | 89.9 Ų | 89.9 | 60% | 0.595 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -39.9 | 177.7 | -67.7 | 162.8 | 0 | 0 | 0 | 111.4 | T62 F63 C64 L69 S70 | T62-I66 WeakPolarHBondContact O-CG1 3.44Å; T62-I66 PolarHBondContact O-N 3.25Å; F63-I66 PolarHBondContact O-N 2.84Å; C64-I66 PolarHBondContact O-N 3.39Å; I66-L69 PolarHBondContact O-N 3.17Å; I66-S70 WeakPolarHBondContact O-CB 3.28Å; I66-S70 PolarHBondContact O-N 2.92Å; I66-S70 PolarHBondContact O-OG 2.83Å |
| 67 | V | 93.6 | Very high | 89.1 | Confident | 64 Ų | 64 | 93.2 Ų | 93.2 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | F63 C64 S70 V71 | F63-V67 HydrophobicContact CD1-CG2 4.29Å; F63-V67 HydrophobicContact CE1-CG2 3.95Å; F63-V67 HydrophobicContact CZ-CG2 4.2Å; F63-V67 WeakPolarHBondContact O-CG2 3.31Å; F63-V67 PolarHBondContact O-N 2.79Å; C64-V67 PolarHBondContact O-N 3Å; V67-S70 WeakPolarHBondContact CA-OG 3.4Å; V67-S70 PolarHBondContact O-N 3.02Å; V67-S70 PolarHBondContact O-OG 2.89Å; V67-V71 WeakPolarHBondContact O-CB 3.22Å; V67-V71 VanDerWaalsContact O-CG2 3.3Å; V67-V71 WeakPolarHBondContact O-CG2 3.47Å; V67-V71 PolarHBondContact O-N 2.96Å |
| 68 | L | 94.1 | Very high | 89.6 | Confident | 115 Ų | 115 | 94.6 Ų | 94.6 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.7 | -37.9 | 177.1 | -70.4 | 171.7 | 0 | 0 | 0 | 112.5 | C64 G65 S72 | C64-L68 WeakPolarHBondContact O-CB 3.29Å; C64-L68 WeakPolarHBondContact O-CG 3.31Å; C64-L68 PolarHBondContact O-N 2.69Å; G65-L68 PolarHBondContact O-N 3.2Å; L68-S72 WeakPolarHBondContact O-CB 3.39Å; L68-S72 PolarHBondContact O-N 2.87Å |
| 69 | L | 93.9 | Very high | 89.3 | Confident | 106 Ų | 106 | 96.6 Ų | 96.6 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.8 | -43 | 177.6 | -147.5 | 175.2 | 0 | 0 | 0 | 111.1 | G65 I66 S72 L73 | G65-L69 VanDerWaalsContact O-CB 3.31Å; G65-L69 WeakPolarHBondContact O-CB 3.12Å; G65-L69 PolarHBondContact O-N 3.08Å; I66-L69 PolarHBondContact O-N 3.17Å; L69-S72 PolarHBondContact O-N 2.87Å; L69-L73 HydrophobicContact CD2-CD1 3.57Å; L69-L73 HydrophobicContact CD2-CG 3.85Å; L69-L73 WeakPolarHBondContact O-CB 3.47Å; L69-L73 WeakPolarHBondContact O-CG 3.4Å; L69-L73 PolarHBondContact O-N 2.93Å |
| 70 | S | 92.9 | Very high | 88.4 | Confident | 64 Ų | 64 | 97.1 Ų | 97.1 | 45% | 0.448 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 176.2 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | I66 V67 L73 F74 | I66-S70 WeakPolarHBondContact O-CB 3.28Å; I66-S70 PolarHBondContact O-N 2.92Å; I66-S70 PolarHBondContact O-OG 2.83Å; V67-S70 WeakPolarHBondContact CA-OG 3.4Å; V67-S70 PolarHBondContact O-N 3.02Å; V67-S70 PolarHBondContact O-OG 2.89Å; S70-L73 PolarHBondContact O-N 3.35Å; S70-F74 WeakPolarHBondContact O-CB 3.5Å; S70-F74 PolarHBondContact O-N 2.88Å |
| 71 | V | 93.5 | Very high | 86.9 | Confident | 82 Ų | 82 | 101.7 Ų | 101.7 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 170.7 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | V67 L73 F74 V75 | V67-V71 WeakPolarHBondContact O-CB 3.22Å; V67-V71 VanDerWaalsContact O-CG2 3.3Å; V67-V71 WeakPolarHBondContact O-CG2 3.47Å; V67-V71 PolarHBondContact O-N 2.96Å; V71-L73 PolarHBondContact O-N 3.35Å; V71-F74 PolarHBondContact O-N 3.19Å; V71-V75 HydrophobicContact CG1-CG2 4.34Å; V71-V75 WeakPolarHBondContact O-CB 3.37Å; V71-V75 WeakPolarHBondContact O-CG2 3.39Å; V71-V75 PolarHBondContact O-N 3.11Å |
| 72 | S | 91 | Very high | 85.3 | Confident | 68 Ų | 68 | 103 Ų | 103 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 177 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | L68 L69 S76 | L68-S72 WeakPolarHBondContact O-CB 3.39Å; L68-S72 PolarHBondContact O-N 2.87Å; L69-S72 PolarHBondContact O-N 2.87Å; S72-S76 WeakPolarHBondContact O-CB 3.13Å; S72-S76 PolarHBondContact O-N 3Å; S72-S76 PolarHBondContact O-OG 2.64Å |
| 73 | L | 92 | Very high | 83.5 | Confident | 111 Ų | 111 | 104.1 Ų | 104.1 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.3 | -41.8 | 173.6 | -74.7 | 170.9 | 0 | 0 | 0 | 112 | L69 S70 V71 S76 W77 | L69-L73 HydrophobicContact CD2-CD1 3.57Å; L69-L73 HydrophobicContact CD2-CG 3.85Å; L69-L73 WeakPolarHBondContact O-CB 3.47Å; L69-L73 WeakPolarHBondContact O-CG 3.4Å; L69-L73 PolarHBondContact O-N 2.93Å; S70-L73 PolarHBondContact O-N 3.35Å; V71-L73 PolarHBondContact O-N 3.35Å; L73-S76 PolarHBondContact O-N 2.76Å; L73-W77 VanDerWaalsContact O-CB 3.24Å; L73-W77 WeakPolarHBondContact O-CB 3.46Å; L73-W77 PolarHBondContact O-N 2.69Å |
| 74 | F | 89 | Confident | 81.4 | Confident | 141 Ų | 141 | 108.6 Ų | 108.6 | 62% | 0.618 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.8 | -41.8 | 177.9 | -175.6 | -100.4 | 0 | 0 | 0 | 112.4 | S70 V71 K78 | S70-F74 WeakPolarHBondContact O-CB 3.5Å; S70-F74 PolarHBondContact O-N 2.88Å; V71-F74 PolarHBondContact O-N 3.19Å; F74-K78 WeakPolarHBondContact O-CB 3.38Å; F74-K78 PolarHBondContact O-N 3.06Å |
| 75 | V | 88.6 | Confident | 79.2 | Confident | 72 Ų | 72 | 115.2 Ų | 115.2 | 44% | 0.436 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.4 | -43.5 | 174.6 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | V71 W77 K78 L79 | V71-V75 HydrophobicContact CG1-CG2 4.34Å; V71-V75 WeakPolarHBondContact O-CB 3.37Å; V71-V75 WeakPolarHBondContact O-CG2 3.39Å; V71-V75 PolarHBondContact O-N 3.11Å; V75-W77 PolarHBondContact O-N 3.04Å; V75-K78 PolarHBondContact O-N 3.02Å; V75-L79 HydrophobicContact CG1-CD1 3.68Å; V75-L79 HydrophobicContact CG1-CG 4.17Å; V75-L79 WeakPolarHBondContact O-CB 3.17Å; V75-L79 VanDerWaalsContact O-CG 3.3Å; V75-L79 WeakPolarHBondContact O-CG 3.43Å; V75-L79 PolarHBondContact O-N 2.95Å |
| 76 | S | 86.4 | Confident | 77.1 | Confident | 57 Ų | 57 | 120.1 Ų | 120.1 | 40% | 0.399 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.5 | -43.3 | 177 | -60 | 0 | 0 | 0 | 0 | 111.6 | S72 L73 L79 C80 | S72-S76 WeakPolarHBondContact O-CB 3.13Å; S72-S76 PolarHBondContact O-N 3Å; S72-S76 PolarHBondContact O-OG 2.64Å; L73-S76 PolarHBondContact O-N 2.76Å; S76-L79 PolarHBondContact O-N 2.75Å; S76-C80 VanDerWaalsContact O-CB 3.27Å; S76-C80 WeakPolarHBondContact O-CB 3.33Å; S76-C80 PolarHBondContact O-N 3Å; S76-C80 PolarHBondContact O-SG 3.25Å; S76-C80 VanDerWaalsContact O-SG 3.32Å |
| 77 | W | 82 | Confident | 74.6 | Confident | 179 Ų | 179 | 124.4 Ų | 124.4 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.9 | -51.1 | 171.8 | -178.9 | -74.4 | 0 | 0 | 0 | 110.8 | L73 V75 L79 W81 | L73-W77 VanDerWaalsContact O-CB 3.24Å; L73-W77 WeakPolarHBondContact O-CB 3.46Å; L73-W77 PolarHBondContact O-N 2.69Å; V75-W77 PolarHBondContact O-N 3.04Å; W77-L79 VanDerWaalsContact C-N 3.34Å; W77-L79 PolarHBondContact O-N 3.39Å; W77-W81 AromaticContact CD1-CD1 3.89Å; W77-W81 AromaticContact CE2-NE1 3.73Å; W77-W81 AromaticContact CZ2-NE1 3.97Å; W77-W81 AromaticContact NE1-CD1 3.7Å; W77-W81 AromaticContact NE1-NE1 3.58Å; W77-W81 VanDerWaalsContact O-CD1 3.28Å; W77-W81 PolarHBondContact O-N 3.16Å |
| 78 | K | 82.4 | Confident | 72 | Confident | 139 Ų | 139 | 130.9 Ų | 130.9 | 60% | 0.604 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.7 | -31.1 | -177.2 | -160.3 | 179.2 | -176.6 | -174.6 | 0 | 113.3 | F74 V75 L82 | F74-K78 WeakPolarHBondContact O-CB 3.38Å; F74-K78 PolarHBondContact O-N 3.06Å; V75-K78 PolarHBondContact O-N 3.02Å; K78-L82 WeakPolarHBondContact O-CG 3.37Å |
| 79 | L | 72.4 | Confident | 69.2 | Low | 110 Ų | 110 | 129.2 Ų | 129.2 | 58% | 0.576 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79.4 | -42.2 | 176.8 | -69.8 | 176.1 | 0 | 0 | 0 | 112.4 | V75 S76 W77 W81 L82 | V75-L79 HydrophobicContact CG1-CD1 3.68Å; V75-L79 HydrophobicContact CG1-CG 4.17Å; V75-L79 WeakPolarHBondContact O-CB 3.17Å; V75-L79 VanDerWaalsContact O-CG 3.3Å; V75-L79 WeakPolarHBondContact O-CG 3.43Å; V75-L79 PolarHBondContact O-N 2.95Å; S76-L79 PolarHBondContact O-N 2.75Å; W77-L79 VanDerWaalsContact C-N 3.34Å; W77-L79 PolarHBondContact O-N 3.39Å; L79-W81 PolarHBondContact O-N 3.14Å; L79-L82 HydrophobicContact CD2-CD1 4.42Å; L79-L82 PolarHBondContact O-N 3.45Å; L79-L82 VanDerWaalsContact O-N 3.12Å |
| 80 | C | 66.1 | Low | 66.3 | Low | 98 Ų | 98 | 128.2 Ų | 128.2 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.5 | -18.6 | 176.2 | -71.8 | 0 | 0 | 0 | 0 | 113.5 | S76 P83 | S76-C80 VanDerWaalsContact O-CB 3.27Å; S76-C80 WeakPolarHBondContact O-CB 3.33Å; S76-C80 PolarHBondContact O-N 3Å; S76-C80 PolarHBondContact O-SG 3.25Å; S76-C80 VanDerWaalsContact O-SG 3.32Å; C80-P83 WeakPolarHBondContact O-CD 3.34Å |
| 81 | W | 55.5 | Low | 63.5 | Low | 188 Ų | 188 | 128.6 Ų | 128.6 | 71% | 0.712 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -11.6 | 173.4 | -96.5 | 81.6 | 0 | 0 | 0 | 115 | W77 L79 | W77-W81 AromaticContact CD1-CD1 3.89Å; W77-W81 AromaticContact CE2-NE1 3.73Å; W77-W81 AromaticContact CZ2-NE1 3.97Å; W77-W81 AromaticContact NE1-CD1 3.7Å; W77-W81 AromaticContact NE1-NE1 3.58Å; W77-W81 VanDerWaalsContact O-CD1 3.28Å; W77-W81 PolarHBondContact O-N 3.16Å; L79-W81 PolarHBondContact O-N 3.14Å |
| 82 | L | 57.6 | Low | 60.5 | Low | 128 Ų | 128 | 133 Ų | 133 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -89.6 | -21.5 | -172 | -75.3 | 167.6 | 0 | 0 | 0 | 118.2 | K78 L79 | K78-L82 WeakPolarHBondContact O-CG 3.37Å; L79-L82 HydrophobicContact CD2-CD1 4.42Å; L79-L82 PolarHBondContact O-N 3.45Å; L79-L82 VanDerWaalsContact O-N 3.12Å |
| 83 | P | 50.9 | Low | 57.8 | Low | 101 Ų | 101 | 134.7 Ų | 134.7 | 66% | 0.656 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -95.4 | 6.7 | -177.3 | 37.1 | -35.6 | 0 | 0 | 0 | 114.8 | C80 | C80-P83 WeakPolarHBondContact O-CD 3.34Š|
| 84 | W | 46.4 | Very low | 55 | Low | 241 Ų | 241 | 137.3 Ų | 137.3 | 91% | 0.913 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -122.9 | 14.7 | -175 | -107.8 | 66.9 | 0 | 0 | 0 | 115.5 | ||
| 85 | R | 47.8 | Very low | 52.5 | Low | 203 Ų | 203 | 135.8 Ų | 135.8 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -129.4 | 88.8 | 165.1 | -144.8 | -162.4 | 87.9 | 149.5 | 6.6 | 111 | ||
| 86 | D | 50 | Low | 49.8 | Very low | 139 Ų | 139 | 138 Ų | 138 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | 161.7 | 96.8 | 137.2 | -77.7 | -5 | 0 | 0 | 0 | 108.8 | ||||
| 87 | K | 41.1 | Very low | 47.2 | Very low | 206 Ų | 206 | 138.6 Ų | 138.6 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | trans | -152.8 | 62.4 | 170.9 | -158.9 | 173.2 | -178.6 | 171.8 | 0 | 114.7 | ||||
| 88 | E | 38.2 | Very low | 44.8 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | -134.7 | 146.8 | 156.5 | -65.8 | -166.2 | 151.1 | 0 | 0 | 108.9 | ||||
| 89 | G | 35.3 | Very low | 42.6 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 114.1 | 28.5 | 159 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||
| 90 | G | 33.5 | Very low | 41.4 | Very low | 84 Ų | 84 | 140 Ų | 140 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | 72.5 | 178.5 | 165 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 91 | G | 32.8 | Very low | 39.8 | Very low | 72 Ų | 72 | 138.4 Ų | 138.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | -177.9 | 168.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 92 | L | 32.2 | Very low | 38.7 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | 69.4 | 109.7 | 173 | -55.7 | 178.9 | 0 | 0 | 0 | 119.6 | ||||
| 93 | S | 32.8 | Very low | 37.6 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | 26.9 | 125 | 130.7 | -166.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 94 | L | 33.4 | Very low | 36.6 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | -154.3 | 173.3 | 120.5 | -111.9 | 169.2 | 0 | 0 | 0 | 111.7 | |||||
| 95 | T | 37.3 | Very low | 36.1 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | trans | -103 | 173.6 | -158.7 | 54.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 96 | S | 32.1 | Very low | 35.3 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | 75.7 | 130.5 | 171.5 | -48.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 97 | G | 32.1 | Very low | 34.4 | Very low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | cis | 104.5 | 100.7 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 98 | L | 31.5 | Very low | 34 | Very low | 177 Ų | 177 | 117.8 Ų | 117.8 | 93% | 0.927 | 82% | 0.823 | S | S | * | * | trans | -168.3 | 117 | 157.9 | -105.6 | 164.5 | 0 | 0 | 0 | 110.5 | ||||
| 99 | L | 34.9 | Very low | 33.7 | Very low | 157 Ų | 157 | 113 Ų | 113 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -92.1 | 172.5 | 152.4 | -79.8 | 173.2 | 0 | 0 | 0 | 107.2 | ||||
| 100 | P | 47 | Very low | 33.5 | Very low | 124 Ų | 124 | 112.5 Ų | 112.5 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | cis | -149.9 | 177.6 | 27 | 43.6 | -23.4 | 0 | 0 | 0 | 119.1 | ||||
| 101 | G | 33.2 | Very low | 34.3 | Very low | 64 Ų | 64 | 114.2 Ų | 114.2 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | trans | 91.5 | 152.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 102 | T | 32.3 | Very low | 34.3 | Very low | 144 Ų | 144 | 116.8 Ų | 116.8 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | cis | -161.8 | 159.1 | -8 | 22 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 103 | A | 35 | Very low | 34.4 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | 69.5 | 150.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 104 | G | 29.3 | Very low | 34.6 | Very low | 63 Ų | 63 | 119 Ų | 119 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | cis | 157.6 | 146.1 | -10 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 105 | L | 35.9 | Very low | 35.6 | Very low | 190 Ų | 190 | 116.5 Ų | 116.5 | 100% | 0.995 | 81% | 0.812 | S | S | * | * | trans | 71.8 | 140.9 | 179.9 | -52.7 | 146.7 | 0 | 0 | 0 | 115.4 | ||||
| 106 | G | 31.3 | Very low | 36.5 | Very low | 78 Ų | 78 | 116 Ų | 116 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | cis | 161.9 | 124.5 | -15.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 107 | G | 30.4 | Very low | 36.6 | Very low | 84 Ų | 84 | 117.3 Ų | 117.3 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | 75.5 | 155.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 108 | A | 33 | Very low | 36.9 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | cis | -155.2 | -173.2 | -6.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 109 | A | 32.5 | Very low | 37.2 | Very low | 100 Ų | 100 | 119.3 Ų | 119.3 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -59.8 | 162.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 110 | G | 31.2 | Very low | 37.1 | Very low | 71 Ų | 71 | 120.2 Ų | 120.2 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | cis | 91.2 | 154.7 | 23.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 111 | P | 50.4 | Low | 36.3 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | cis | -125.4 | -173.2 | -3.8 | 43.3 | -28.4 | 0 | 0 | 0 | 113.9 | ||||
| 112 | S | 33.5 | Very low | 36.4 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | trans | -132.6 | 151.3 | 162.9 | -82 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 113 | L | 34.2 | Very low | 36.5 | Very low | 165 Ų | 165 | 121.5 Ų | 121.5 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -110.7 | 143.4 | -161.5 | -70.4 | 161.8 | 0 | 0 | 0 | 114.6 | ||||
| 114 | L | 36.7 | Very low | 36.5 | Very low | 158 Ų | 158 | 124.4 Ų | 124.4 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -97.8 | -175.2 | 150.5 | -57.3 | 174.7 | 0 | 0 | 0 | 107.4 | ||||
| 115 | P | 54.7 | Low | 36.9 | Very low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | cis | -132.9 | -132.3 | 1 | 38.1 | -13.4 | 0 | 0 | 0 | 109.4 | ||||
| 116 | P | 56 | Low | 37.1 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | -136.2 | 159.9 | -24.9 | 32.3 | -11.8 | 0 | 0 | 0 | 117.9 | ||||
| 117 | L | 34.2 | Very low | 37.4 | Very low | 145 Ų | 145 | 123.6 Ų | 123.6 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 46.8 | 143.6 | 133.6 | -56.6 | 172.8 | 0 | 0 | 0 | 121.7 | ||||
| 118 | L | 38.7 | Very low | 37.6 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | -156 | 135.2 | 66.4 | -83.1 | 167.1 | 0 | 0 | 0 | 110.9 | |||||
| 119 | Q | 37.5 | Very low | 37.5 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | 63.1 | 148.2 | 88.9 | -74 | -165.3 | 6.4 | 0 | 0 | 116.4 | |||||
| 120 | R | 32.3 | Very low | 37.4 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | cis | -176.1 | 146.8 | -14.4 | -178.7 | 174 | 178.4 | 176.4 | 0.9 | 107.1 | E122 | R120-E122 IonicContact CZ-OE1 3.68Å; R120-E122 IonicContact NE-OE1 3.15Å; R120-E122 PolarHBondContact NE-OE1 3.38Å; R120-E122 IonicContact NH2-OE1 2.72Å; R120-E122 PolarHBondContact NH2-OE1 3.43Å; R120-E122 IonicContact NH2-OE2 3.16Å | ||
| 121 | K | 29.9 | Very low | 38.3 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | 158.4 | 121.3 | 97.8 | -168.6 | 163 | -175.3 | -177 | 0 | 109.9 | |||||
| 122 | E | 34.9 | Very low | 37.4 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 58% | 0.579 | 75% | 0.748 | S | S | * | * | 53.3 | 139 | 98 | -48.9 | 153.1 | -160.3 | 0 | 0 | 116.7 | R120 | R120-E122 IonicContact CZ-OE1 3.68Å; R120-E122 IonicContact NE-OE1 3.15Å; R120-E122 PolarHBondContact NE-OE1 3.38Å; R120-E122 IonicContact NH2-OE1 2.72Å; R120-E122 PolarHBondContact NH2-OE1 3.43Å; R120-E122 IonicContact NH2-OE2 3.16Å | |||
| 123 | G | 35.2 | Very low | 37.5 | Very low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | cis | -135.1 | -135.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 124 | H | 35.8 | Very low | 37.2 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | cis | -164.3 | 138.1 | -3.7 | -104.7 | -63.7 | 0 | 0 | 0 | 109.5 | ||||
| 125 | S | 37.1 | Very low | 36.8 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | 66.1 | 135.8 | 103.7 | -59.1 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 126 | S | 39 | Very low | 35.6 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | cis | -171 | 169.2 | -1.9 | -89.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 127 | S | 37.4 | Very low | 34.2 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 69.1 | 155.7 | 154.6 | 64.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 128 | S | 34.3 | Very low | 34.2 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | cis | -174.6 | 149.3 | -20.9 | 52.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 129 | L | 31.1 | Very low | 34.4 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | 170.1 | 173.8 | 92.2 | -106.4 | 170.1 | 0 | 0 | 0 | 112 | |||||
| 130 | Y | 31.6 | Very low | 34.3 | Very low | 211 Ų | 211 | 136.7 Ų | 136.7 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | -114.8 | 161 | 179.5 | -107.6 | -73.7 | 0 | 0 | 0 | 112.2 | ||||
| 131 | P | 49.2 | Very low | 33.9 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | -144.7 | -170.1 | 92.8 | 37.4 | -18.7 | 0 | 0 | 0 | 115.2 | |||||
| 132 | S | 32.8 | Very low | 34 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | -153.8 | 150.9 | -168.6 | 172.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 133 | L | 34.1 | Very low | 33.9 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | 162.6 | 158.6 | 128.8 | -102.4 | 128.1 | 0 | 0 | 0 | 115.2 | |||||
| 134 | G | 27.6 | Very low | 33.6 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 101.7 | 101.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 135 | Q | 29.3 | Very low | 33.5 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | cis | 104 | 131.5 | 25.3 | -157.6 | -159.9 | 58.4 | 0 | 0 | 112.7 | ||||
| 136 | Q | 29.4 | Very low | 33.1 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 72.2 | 142.8 | -179.6 | -44.6 | -177.6 | 14.2 | 0 | 0 | 114.6 | ||||
| 137 | G | 27.2 | Very low | 32.8 | Very low | 74 Ų | 74 | 138.2 Ų | 138.2 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | cis | 175 | 131.5 | -10.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 138 | H | 33.3 | Very low | 32.5 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | trans | -94 | 154.8 | 169.8 | -69.1 | -71.8 | 0 | 0 | 0 | 110.2 | ||||
| 139 | P | 42.5 | Very low | 32.5 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | -140.2 | 172.4 | 91.4 | 38.5 | -24.7 | 0 | 0 | 0 | 115.9 | |||||
| 140 | H | 35.1 | Very low | 32.3 | Very low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -67.3 | 161 | 174.7 | -148.5 | -100 | 0 | 0 | 0 | 112.6 | S142 | H140-S142 PolarHBondContact CE1-OG 2.98Å; H140-S142 PolarHBondContact ND1-OG 2.91Å | ||
| 141 | F | 26 | Very low | 32.4 | Very low | 192 Ų | 192 | 142.9 Ų | 142.9 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -136 | 143.5 | 151.9 | -166.3 | -99.8 | 0 | 0 | 0 | 109.6 | ||||
| 142 | S | 31.1 | Very low | 31.4 | Very low | 62 Ų | 62 | 140.7 Ų | 140.7 | 43% | 0.434 | 80% | 0.801 | S | S | . | * | trans | -123.8 | 148.5 | -179.6 | -57.4 | 0 | 0 | 0 | 0 | 110 | H140 | H140-S142 PolarHBondContact CE1-OG 2.98Å; H140-S142 PolarHBondContact ND1-OG 2.91Å | ||
| 143 | D | 32 | Very low | 31.3 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | 33.5 | 118.6 | 153.4 | -50.4 | -38.7 | 0 | 0 | 0 | 119.6 | ||||
| 144 | L | 29.6 | Very low | 31.1 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | -147.3 | 136.7 | 126.2 | -145.6 | 76.5 | 0 | 0 | 0 | 112.2 | |||||
| 145 | V | 33.3 | Very low | 31.3 | Very low | 135 Ų | 135 | 139 Ų | 139 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -97.4 | 135.2 | 166.2 | 177.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 146 | G | 28.5 | Very low | 31.5 | Very low | 72 Ų | 72 | 138 Ų | 138 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | -148.4 | 128.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 147 | L | 33.6 | Very low | 31.6 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -90.3 | 147.2 | 169.1 | -73 | 83.9 | 0 | 0 | 0 | 109.1 | ||||
| 148 | E | 30.7 | Very low | 31.5 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | -177.8 | 172.3 | 115 | -99.3 | -83 | 49.1 | 0 | 0 | 112 | |||||
| 149 | R | 33.3 | Very low | 32.4 | Very low | 236 Ų | 236 | 129.1 Ų | 129.1 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -78.5 | 160.3 | -178.4 | -67.4 | 154 | 144.8 | 175.1 | -9.9 | 114.1 | ||||
| 150 | G | 28.6 | Very low | 31.9 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -166.8 | 141.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 151 | E | 32.8 | Very low | 31.7 | Very low | 208 Ų | 208 | 131 Ų | 131 | 97% | 0.972 | 81% | 0.808 | S | S | * | * | trans | -106.4 | 161.3 | -176 | -64.5 | 167.5 | 89.3 | 0 | 0 | 112.5 | ||||
| 152 | G | 29.4 | Very low | 32 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | 147 | 139.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 153 | G | 28.8 | Very low | 31.8 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | trans | -149.3 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 154 | G | 30.1 | Very low | 31.6 | Very low | 69 Ų | 69 | 134.6 Ų | 134.6 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | 148.8 | 89.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 155 | V | 33.4 | Very low | 31.6 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | 82.5 | 140.6 | 66.8 | -176.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 156 | V | 33.4 | Very low | 31.3 | Very low | 146 Ų | 146 | 132 Ų | 132 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | 76.2 | 130.8 | -177.9 | -161.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 157 | G | 30.2 | Very low | 31.3 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | cis | 176 | 163.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 158 | G | 26.5 | Very low | 31.2 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -97.9 | -156.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 159 | P | 52.3 | Low | 31.2 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | cis | -134.2 | 172.2 | 1.7 | 41.7 | -26.1 | 0 | 0 | 0 | 115 | ||||
| 160 | N | 31.6 | Very low | 31.1 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | -179.7 | 147.5 | 117.6 | -101.5 | -2.4 | 0 | 0 | 0 | 112.6 | |||||
| 161 | E | 31.3 | Very low | 31.1 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -94.8 | 158.2 | 171.3 | -60.3 | 167 | 99.5 | 0 | 0 | 110.4 | ||||
| 162 | T | 31.4 | Very low | 31 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | 176.7 | 151.9 | 106 | 29 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 163 | Q | 27.2 | Very low | 31 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | 98.5 | 138.1 | 147.2 | -149.4 | 154.2 | 32.9 | 0 | 0 | 120.2 | ||||
| 164 | E | 27.2 | Very low | 31.8 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -103.4 | 157.6 | -171.6 | -53.5 | 163.6 | 69.6 | 0 | 0 | 111.9 | ||||
| 165 | H | 29.1 | Very low | 31.8 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | 168.1 | 134.5 | 100.8 | -87.9 | -44.9 | 0 | 0 | 0 | 114.5 | |||||
| 166 | S | 27.9 | Very low | 31.7 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | 39.2 | 134 | 135 | -67 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 167 | Y | 28.8 | Very low | 31.8 | Very low | 202 Ų | 202 | 141.2 Ų | 141.2 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | 101.9 | 115.3 | 131.3 | -99.8 | -125.5 | 0 | 0 | 0 | 121 | ||||
| 168 | L | 31.3 | Very low | 31.8 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 55.8 | 124 | 150.3 | -56 | 176.5 | 0 | 0 | 0 | 120 | ||||
| 169 | D | 29.9 | Very low | 32.1 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | -148.1 | 166.1 | 109.5 | -144.6 | -12.5 | 0 | 0 | 0 | 111.2 | |||||
| 170 | M | 31.6 | Very low | 31.2 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | trans | -148.1 | 174 | -179.5 | -125.9 | -73.9 | 94.9 | 0 | 0 | 111.8 | ||||
| 171 | D | 28.8 | Very low | 31.1 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 58.1 | 120.6 | 169.4 | -64.8 | -46.2 | 0 | 0 | 0 | 119.5 | ||||
| 172 | S | 29.9 | Very low | 30.9 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | -178.3 | 121.4 | 104.9 | -80.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 173 | Y | 31.2 | Very low | 30.7 | Very low | 226 Ų | 226 | 146 Ų | 146 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | trans | -96.4 | 146 | 148.8 | -87 | -93.6 | 0 | 0 | 0 | 108.8 | ||||
| 174 | P | 44.3 | Very low | 30.9 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -71.9 | 140.8 | -177.4 | 29.1 | -34.8 | 0 | 0 | 0 | 112.6 | ||||
| 175 | N | 30.8 | Very low | 31.1 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -111.3 | 148.7 | 177.5 | 179.2 | 14.5 | 0 | 0 | 0 | 110.1 | ||||
| 176 | N | 31.4 | Very low | 31.2 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -178.6 | 144.6 | 150.2 | -94 | -22.1 | 0 | 0 | 0 | 110.4 | ||||
| 177 | A | 34.3 | Very low | 32.1 | Very low | 85 Ų | 85 | 144.8 Ų | 144.8 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | cis | -167.4 | 154.9 | -19.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 178 | G | 30.6 | Very low | 32.1 | Very low | 70 Ų | 70 | 142.7 Ų | 142.7 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 102.2 | 140.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 179 | T | 32.3 | Very low | 32.2 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | cis | -152 | 121.6 | -7.8 | -47.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 180 | L | 33.4 | Very low | 33 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | trans | 29 | 124.9 | 155.1 | -62.3 | 173.6 | 0 | 0 | 0 | 122.9 | ||||
| 181 | K | 29.5 | Very low | 32.9 | Very low | 202 Ų | 202 | 141.4 Ų | 141.4 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | 94.9 | 141.2 | 129.7 | -84.5 | -177.1 | 174.5 | -177.7 | 0 | 121.4 | |||||
| 182 | L | 27.6 | Very low | 33 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -99.3 | 138.2 | -176.6 | 177.4 | 76.4 | 0 | 0 | 0 | 110.1 | ||||
| 183 | S | 28.3 | Very low | 33.1 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -149.8 | 165.4 | 164.1 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 184 | Q | 29.9 | Very low | 33 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -91.4 | -176.5 | -167 | -62.5 | 164.9 | -45.2 | 0 | 0 | 113.7 | ||||
| 185 | T | 31.6 | Very low | 32.2 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | trans | 81.9 | 125.8 | 162.2 | 67.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 186 | S | 32.3 | Very low | 32.2 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 158.3 | 160.9 | -62.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 187 | P | 46.7 | Very low | 32.4 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 151.8 | -170.2 | 35.6 | -35.7 | 0 | 0 | 0 | 115.6 | ||
| 188 | D | 28 | Very low | 33.2 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 149.2 | 168.7 | -67.9 | -62.1 | 0 | 0 | 0 | 112.7 | ||
| 189 | V | 33.6 | Very low | 33.3 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | -175.4 | 155.3 | 137.3 | -98.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 190 | P | 47.5 | Very low | 33.3 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | cis | -123.7 | -172 | -26.9 | 35.4 | -17.4 | 0 | 0 | 0 | 111.9 | ||||
| 191 | N | 29.7 | Very low | 33 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -128.1 | 147.8 | -171.3 | -177.9 | 31.6 | 0 | 0 | 0 | 112.9 | ||||
| 192 | S | 29.9 | Very low | 33.5 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | trans | -162.1 | 114.6 | 165.6 | 59.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 193 | E | 31.6 | Very low | 34.4 | Very low | 197 Ų | 197 | 134.8 Ų | 134.8 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | 54 | 134.9 | 151.6 | -54.8 | 179.5 | -177.2 | 0 | 0 | 120.1 | ||||
| 194 | G | 29.6 | Very low | 34.5 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | cis | 176.1 | 111.1 | -5.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 195 | G | 28.5 | Very low | 34.6 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | 72.1 | 102.8 | 142.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 196 | A | 30.1 | Very low | 34.8 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -161.5 | 149.4 | 137.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 197 | H | 35.9 | Very low | 34.8 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -127.2 | 176.8 | -173.2 | -100.3 | -60.9 | 0 | 0 | 0 | 109.8 | ||||
| 198 | P | 51.3 | Low | 34.1 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 60% | 0.604 | 80% | 0.804 | S | S | * | * | cis | -141.8 | 168.7 | -22.4 | 37.1 | -18.9 | 0 | 0 | 0 | 116.2 | ||||
| 199 | N | 32.5 | Very low | 34.3 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | 61.3 | 161.5 | 138.7 | -68.6 | -5.3 | 0 | 0 | 0 | 121.4 | ||||
| 200 | K | 31.6 | Very low | 34.1 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 64% | 0.635 | 80% | 0.804 | S | S | * | * | cis | -155.1 | 154 | -2.9 | -129.8 | 179.1 | -175.4 | -116.3 | 0 | 112.6 | ||||
| 201 | E | 27.7 | Very low | 33.2 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | 29.5 | 154.6 | 139.8 | -70.8 | 161.9 | -169.8 | 0 | 0 | 125.1 | ||||
| 202 | L | 40.6 | Very low | 33.2 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | -75.2 | 164.5 | 171.5 | -52.6 | 106.8 | 0 | 0 | 0 | 113.7 | ||||
| 203 | P | 46.1 | Very low | 33.7 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -139.6 | -177.6 | 138.6 | 39.1 | -25.4 | 0 | 0 | 0 | 114.8 | ||||
| 204 | N | 30 | Very low | 33.8 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -140 | 163.6 | -178 | -171.2 | 11.8 | 0 | 0 | 0 | 111 | ||||
| 205 | A | 32.7 | Very low | 33.9 | Very low | 91 Ų | 91 | 142 Ų | 142 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | 78.4 | 160.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 206 | H | 34.6 | Very low | 34.1 | Very low | 196 Ų | 196 | 146.1 Ų | 146.1 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | -87.1 | 163.2 | -160 | -57.8 | -47.2 | 0 | 0 | 0 | 117.6 | ||||
| 207 | S | 33.1 | Very low | 35.1 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | -173.9 | 137 | 105.2 | -155.7 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 208 | Q | 31.2 | Very low | 34.7 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 32.4 | 125.9 | 149.2 | -64.4 | 177.1 | 8.4 | 0 | 0 | 125.4 | ||||
| 209 | Q | 31.8 | Very low | 33.7 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | 166.4 | 155.8 | 120.6 | -91.4 | 175.5 | 11.5 | 0 | 0 | 109.6 | |||||
| 210 | Q | 30.3 | Very low | 33.6 | Very low | 176 Ų | 176 | 147.2 Ų | 147.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | cis | -175.1 | 158.2 | -42.9 | -157.6 | -171.5 | 7.9 | 0 | 0 | 106.3 | ||||
| 211 | V | 27.8 | Very low | 33.6 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 64% | 0.642 | 79% | 0.786 | S | S | * | * | trans | 86.7 | 89.6 | 158.2 | -172.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 212 | T | 30.8 | Very low | 33.7 | Very low | 127 Ų | 127 | 149 Ų | 149 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | 70.7 | -179.3 | 135.7 | 71.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 213 | P | 39.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | -130.7 | -173.8 | -78.9 | 42.3 | -25.5 | 0 | 0 | 0 | 116.5 | |||||
| 214 | R | 33 | Very low | 32.5 | Very low | 211 Ų | 211 | 145 Ų | 145 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -104.1 | 152.7 | -167.4 | -176.5 | -161.3 | -158.8 | 172.1 | 13.7 | 114.6 | ||||
| 215 | P | 32.8 | Very low | 33.1 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -126.8 | 176 | 153.2 | 37.1 | -24.6 | 0 | 0 | 0 | 116.3 | ||||
| 216 | K | 31.8 | Very low | 33 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -157.7 | -176.2 | 175.5 | -88.5 | -165.5 | 173.6 | -169.2 | 0 | 106.5 | ||||
| 217 | P | 51.1 | Low | 32.7 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | -131.6 | 170.6 | -57.8 | 40.1 | -24.9 | 0 | 0 | 0 | 113.4 | |||||
| 218 | M | 27.2 | Very low | 32.7 | Very low | 177 Ų | 177 | 150 Ų | 150 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -168.7 | 168.1 | 166.4 | -102.1 | -168.6 | 174 | 0 | 0 | 109.9 | ||||
| 219 | T | 31 | Very low | 32.6 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 58% | 0.583 | 79% | 0.785 | S | S | * | * | cis | -166.7 | 177.4 | -45.1 | 23.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 220 | H | 31.3 | Very low | 32.6 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 72 | 153.9 | 171.3 | -54.9 | -92.4 | 0 | 0 | 0 | 116.3 | ||||
| 221 | Q | 30.6 | Very low | 32.7 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | cis | -154.7 | 178.9 | -16.6 | -120.6 | 165.7 | -7.5 | 0 | 0 | 110.4 | ||||
| 222 | L | 30.8 | Very low | 32.8 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -119.2 | 145.9 | -175.5 | -159.3 | 90.4 | 0 | 0 | 0 | 112.2 | ||||
| 223 | S | 28 | Very low | 32.9 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -156.3 | 145.4 | 162.9 | -76.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 224 | S | 32.5 | Very low | 32.6 | Very low | 96 Ų | 96 | 153.6 Ų | 153.6 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | -96.2 | -179 | -174.8 | -50.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 225 | P | 43.1 | Very low | 32.8 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | -134.1 | -177.3 | 93.1 | 40.2 | -30.2 | 0 | 0 | 0 | 114.8 | |||||
| 226 | D | 29.4 | Very low | 33 | Very low | 145 Ų | 145 | 149.7 Ų | 149.7 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -97.6 | 157.6 | -154.2 | -41 | -93.4 | 0 | 0 | 0 | 116.4 | ||||
| 227 | F | 29.5 | Very low | 33.2 | Very low | 200 Ų | 200 | 147.1 Ų | 147.1 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | -161 | 162.6 | 128.2 | -129.2 | -99.4 | 0 | 0 | 0 | 112.1 | |||||
| 228 | H | 32.3 | Very low | 32.8 | Very low | 186 Ų | 186 | 150.4 Ų | 150.4 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -78.9 | 152.2 | -168.6 | -71.9 | -107.5 | 0 | 0 | 0 | 115.8 | ||||
| 229 | G | 30.3 | Very low | 33.8 | Very low | 80 Ų | 80 | 145.4 Ų | 145.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 173.1 | 102.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 230 | E | 30.2 | Very low | 34.5 | Very low | 190 Ų | 190 | 149.6 Ų | 149.6 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -56.2 | 151.5 | -168 | -59.3 | 171.8 | 142.3 | 0 | 0 | 118.2 | ||||
| 231 | E | 32.8 | Very low | 35.6 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | 32.4 | 134.6 | 148.7 | -64.9 | -167 | 175.9 | 0 | 0 | 121.1 | ||||
| 232 | K | 30.9 | Very low | 36.5 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | cis | -163.1 | 158.8 | 44.2 | -134.9 | 162.4 | -169.6 | 101.5 | 0 | 112 | ||||
| 233 | E | 33.3 | Very low | 37.6 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -95.1 | 139 | -172.3 | -178 | 177.5 | -144.5 | 0 | 0 | 113.7 | ||||
| 234 | Q | 33 | Very low | 38.8 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -151.6 | 124.6 | 154.8 | -137.5 | 175.1 | 28.5 | 0 | 0 | 112.6 | ||||
| 235 | V | 36.5 | Very low | 39.3 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | trans | -81.5 | 130.4 | -172.1 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 236 | T | 37 | Very low | 39.3 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -137.2 | 146.6 | 160.6 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 237 | C | 36.7 | Very low | 39.9 | Very low | 119 Ų | 119 | 150 Ų | 150 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -73.7 | 132.3 | -165 | -55.8 | 0 | 0 | 0 | 0 | 113.5 | G239 | C237-G239 PolarHBondContact O-N 3.33Š| ||
| 238 | I | 42.3 | Very low | 40.4 | Very low | 183 Ų | 183 | 146 Ų | 146 | 94% | 0.938 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 114.9 | 172.7 | -60.6 | 178.9 | 0 | 0 | 0 | 109 | ||
| 239 | G | 49.4 | Very low | 40.4 | Very low | 72 Ų | 72 | 147 Ų | 147 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162.9 | -18.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | C237 | C237-G239 PolarHBondContact O-N 3.33Š|
| 240 | Q | 45.5 | Very low | 40.7 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -84.8 | 126.7 | 176.2 | -73.3 | -176.2 | -30.4 | 0 | 0 | 112.5 | K242 | Q240-K242 PolarHBondContact O-N 3.48Š| ||
| 241 | I | 52.9 | Low | 40.8 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | trans | -69.9 | 120.5 | 169.1 | -60.6 | 169.4 | 0 | 0 | 0 | 108.1 | P243 Y246 | I241-P243 VanDerWaalsContact O-CD 3.29Å; I241-P243 WeakPolarHBondContact O-CD 3.11Å; I241-Y246 HydrophobicContact CG2-CD2 4.31Å; I241-Y246 HydrophobicContact CG2-CE2 3.94Å | ||
| 242 | K | 50.3 | Low | 41.4 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | trans | -75.6 | 115.3 | 172.6 | -71.8 | -175.4 | 175.6 | -178.3 | 0 | 109.9 | Q240 E244 L245 | Q240-K242 PolarHBondContact O-N 3.48Å; K242-E244 PolarHBondContact O-N 3.14Å; K242-L245 HydrophobicContact CB-CD1 4.47Å; K242-L245 PolarHBondContact O-N 3.45Å | ||
| 243 | P | 54 | Low | 41.4 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 62% | 0.617 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -63.5 | -26.1 | -179.9 | -22.2 | 35.2 | 0 | 0 | 0 | 113 | I241 L245 Y246 | I241-P243 VanDerWaalsContact O-CD 3.29Å; I241-P243 WeakPolarHBondContact O-CD 3.11Å; P243-L245 PolarHBondContact O-N 3.42Å; P243-L245 VanDerWaalsContact O-N 3.11Å; P243-Y246 PolarHBondContact O-N 3.07Å |
| 244 | E | 52.5 | Low | 41.7 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 54% | 0.542 | 76% | 0.76 | S | S | . | * | G | 310 helix | trans | -51.9 | -31.3 | 176.2 | -49.6 | -53.1 | 139.4 | 0 | 0 | 113.8 | K242 Y246 R247 | K242-E244 PolarHBondContact O-N 3.14Å; E244-Y246 VanDerWaalsContact C-N 3.32Å; E244-Y246 PolarHBondContact O-N 2.98Å; E244-R247 IonicContact OE1-NH2 3.6Å; E244-R247 IonicContact OE2-CZ 2.66Å; E244-R247 IonicContact OE2-NH1 2.85Å; E244-R247 PolarHBondContact OE2-NH1 3.14Å; E244-R247 IonicContact OE2-NH2 3.97Å; E244-R247 PolarHBondContact OE2-NH2 2.98Å |
| 245 | L | 43.7 | Very low | 41.6 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -78.7 | -10.9 | -178.6 | -85.8 | 163.5 | 0 | 0 | 0 | 114.3 | K242 P243 | K242-L245 HydrophobicContact CB-CD1 4.47Å; K242-L245 PolarHBondContact O-N 3.45Å; P243-L245 PolarHBondContact O-N 3.42Å; P243-L245 VanDerWaalsContact O-N 3.11Å |
| 246 | Y | 43.4 | Very low | 41.5 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -113.5 | 6.7 | 179.4 | -69 | -81.1 | 0 | 0 | 0 | 113.4 | I241 P243 E244 P248 | I241-Y246 HydrophobicContact CG2-CD2 4.31Å; I241-Y246 HydrophobicContact CG2-CE2 3.94Å; P243-Y246 PolarHBondContact O-N 3.07Å; E244-Y246 VanDerWaalsContact C-N 3.32Å; E244-Y246 PolarHBondContact O-N 2.98Å; Y246-P248 WeakPolarHBondContact O-CD 3.5Å |
| 247 | R | 41.2 | Very low | 41.4 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 59% | 0.592 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -70.6 | 122.4 | 169 | -166.9 | 177.4 | -63.8 | 108.6 | -0.5 | 108.3 | E244 K249 | E244-R247 IonicContact OE1-NH2 3.6Å; E244-R247 IonicContact OE2-CZ 2.66Å; E244-R247 IonicContact OE2-NH1 2.85Å; E244-R247 PolarHBondContact OE2-NH1 3.14Å; E244-R247 IonicContact OE2-NH2 3.97Å; E244-R247 PolarHBondContact OE2-NH2 2.98Å; R247-K249 PolarHBondContact O-N 3.28Å |
| 248 | P | 39.6 | Very low | 41.5 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | -55.8 | 131 | 175.9 | -24.5 | 34.4 | 0 | 0 | 0 | 109.8 | Y246 G250 | Y246-P248 WeakPolarHBondContact O-CD 3.5Å; P248-G250 PolarHBondContact O-N 2.98Å; P248-G250 VanDerWaalsContact O-N 3.12Å | ||
| 249 | K | 32.4 | Very low | 42.3 | Very low | 206 Ų | 206 | 139 Ų | 139 | 90% | 0.896 | 75% | 0.746 | S | S | * | * | trans | -65.1 | 114.8 | 175 | -71.5 | -174.6 | 176.8 | -176.4 | 0 | 108.3 | R247 D251 | R247-K249 PolarHBondContact O-N 3.28Å; K249-D251 PolarHBondContact O-N 2.86Å | ||
| 250 | G | 37.4 | Very low | 43.6 | Very low | 68 Ų | 68 | 141.1 Ų | 141.1 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | -63.2 | 122.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | P248 Q252 | P248-G250 PolarHBondContact O-N 2.98Å; P248-G250 VanDerWaalsContact O-N 3.12Å; G250-Q252 PolarHBondContact O-N 2.68Å | ||
| 251 | D | 32.5 | Very low | 45.8 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 85% | 0.845 | 71% | 0.705 | S | S | * | * | trans | -75.4 | 96 | -175.6 | -168.4 | 28.3 | 0 | 0 | 0 | 109.9 | K249 G253 | K249-D251 PolarHBondContact O-N 2.86Å; D251-G253 PolarHBondContact O-N 3.32Å | ||
| 252 | Q | 44.2 | Very low | 47.8 | Very low | 193 Ų | 193 | 126.5 Ų | 126.5 | 90% | 0.902 | 68% | 0.675 | S | S | * | * | trans | -79.2 | 64.4 | 170.9 | -73.7 | -170.9 | -15.6 | 0 | 0 | 110.1 | G250 | G250-Q252 PolarHBondContact O-N 2.68Š| ||
| 253 | G | 31.8 | Very low | 50 | Low | 52 Ų | 52 | 123.9 Ų | 123.9 | 54% | 0.536 | 66% | 0.662 | S | S | . | * | trans | -72.2 | 134.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | D251 G255 | D251-G253 PolarHBondContact O-N 3.32Å; G253-G255 PolarHBondContact O-N 3.04Å | ||
| 254 | E | 40.5 | Very low | 52.1 | Low | 208 Ų | 208 | 119.4 Ų | 119.4 | 97% | 0.972 | 63% | 0.632 | S | S | * | * | trans | -72.1 | 64.4 | 165.6 | -69.1 | -170.9 | 114.8 | 0 | 0 | 110.1 | ||||
| 255 | G | 30.3 | Very low | 54.3 | Low | 62 Ų | 62 | 114 Ų | 114 | 64% | 0.639 | 61% | 0.607 | S | S | * | * | trans | -71.1 | 138.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G253 Q257 | G253-G255 PolarHBondContact O-N 3.04Å; G255-Q257 PolarHBondContact O-N 3.18Å | ||
| 256 | K | 34.4 | Very low | 56.8 | Low | 210 Ų | 210 | 107.2 Ų | 107.2 | 91% | 0.913 | 57% | 0.572 | S | S | * | * | trans | -54.5 | 135.2 | 162.1 | -64.6 | 176.3 | -179.7 | 177.4 | 0 | 108 | G258 | K256-G258 PolarHBondContact O-N 2.76Š| ||
| 257 | Q | 34.8 | Very low | 59.2 | Low | 202 Ų | 202 | 99.5 Ų | 99.5 | 94% | 0.944 | 54% | 0.543 | S | S | * | . | trans | -53.9 | 111.9 | 178.8 | -67.9 | 173.2 | -75.2 | 0 | 0 | 109.7 | G255 | G255-Q257 PolarHBondContact O-N 3.18Š| ||
| 258 | G | 39.1 | Very low | 61.6 | Low | 56 Ų | 56 | 92.1 Ų | 92.1 | 58% | 0.577 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -87.2 | 147.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | K256 T260 | K256-G258 PolarHBondContact O-N 2.76Å; G258-T260 PolarHBondContact O-N 3.15Å; G258-T260 VanDerWaalsContact O-N 3.15Å |
| 259 | D | 57.9 | Low | 64 | Low | 148 Ų | 148 | 92.3 Ų | 92.3 | 79% | 0.791 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 116.3 | 179.6 | -69 | -74.6 | 0 | 0 | 0 | 111.7 | ||
| 260 | T | 76.9 | Confident | 66.8 | Low | 115 Ų | 115 | 83 Ų | 83 | 71% | 0.706 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -103.6 | 123.8 | 166.5 | 53 | 0 | 0 | 0 | 0 | 108.3 | G258 G262 | G258-T260 PolarHBondContact O-N 3.15Å; G258-T260 VanDerWaalsContact O-N 3.15Å; T260-G262 PolarHBondContact O-N 2.98Å |
| 261 | C | 91.7 | Very high | 69.4 | Low | 6 Ų | 6 | 80.4 Ų | 80.4 | 4% | 0.041 | 43% | 0.432 | C | S | . | . | trans | -79.3 | 24.8 | -177.8 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | L287 I359 I383 E385 | C261-L287 WeakPolarHBondContact O-CD2 3.35Å; C261-I359 PolarHBondContact SG-O 3.42Å; C261-I359 VanDerWaalsContact SG-O 3.38Å; C261-I383 HydrophobicContact CB-CB 4.1Å; C261-I383 HydrophobicContact CB-CG2 3.72Å; C261-I383 WeakPolarHBondContact CB-O 3.47Å; C261-I383 WeakPolarHBondContact O-CB 3.47Å; C261-I383 WeakPolarHBondContact O-CD1 3.49Å; C261-E385 VanDerWaalsContact SG-CA 3.52Å; C261-E385 WeakPolarHBondContact SG-CB 3.32Å | ||
| 262 | G | 95.3 | Very high | 72.1 | Confident | 7 Ų | 7 | 78.3 Ų | 78.3 | 7% | 0.072 | 42% | 0.416 | C | S | . | . | trans | 71.2 | -159.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T260 L285 D286 I383 | T260-G262 PolarHBondContact O-N 2.98Å; G262-L285 CarbonylContact C-O 3.53Å; G262-L285 VanDerWaalsContact CA-O 3.25Å; G262-L285 WeakPolarHBondContact CA-O 3.09Å; G262-D286 WeakPolarHBondContact CA-O 3.45Å; G262-D286 PolarHBondContact N-O 3.33Å; G262-I383 PolarHBondContact O-N 3.22Å | ||
| 263 | R | 97.1 | Very high | 74.4 | Confident | 95 Ų | 95 | 76 Ų | 76 | 36% | 0.358 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 145.7 | -178 | 54.9 | -179.2 | 171.5 | 164.1 | -0.3 | 112.2 | A284 L285 D286 W380 R381 | R263-A284 CarbonylContact O-C 3.3Å; R263-A284 VanDerWaalsContact O-CA 3.25Å; R263-A284 WeakPolarHBondContact O-CA 3.24Å; R263-A284 WeakPolarHBondContact O-CB 3.14Å; R263-L285 HydrophobicContact CG-CB 4.24Å; R263-L285 PolarHBondContact N-O 2.99Å; R263-L285 PolarHBondContact O-N 3.07Å; R263-D286 IonicContact CZ-OD2 3.7Å; R263-D286 IonicContact NE-OD2 3.78Å; R263-D286 PolarHBondContact NE-OD2 2.85Å; R263-D286 IonicContact NH2-OD2 2.75Å; R263-W380 HydrophobicContact CB-CE3 4.32Å; R263-W380 HydrophobicContact CG-CE3 3.94Å; R263-W380 HydrophobicContact CG-CZ3 3.93Å; R263-R381 CarbonylContact C-O 3.45Å; R263-R381 WeakPolarHBondContact CA-O 3.49Å |
| 264 | I | 97.9 | Very high | 77.3 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 144.8 | -177.6 | -165.7 | 167.9 | 0 | 0 | 0 | 111.8 | F266 I281 V300 F345 V347 V362 W380 R381 I383 | I264-F266 HydrophobicContact CG2-CD1 4.19Å; I264-F266 HydrophobicContact CG2-CE1 4.24Å; I264-I281 HydrophobicContact CD1-CG2 4.13Å; I264-I281 HydrophobicContact CG1-CG2 4.47Å; I264-V300 HydrophobicContact CD1-CG1 4.19Å; I264-V300 HydrophobicContact CD1-CG2 4.02Å; I264-F345 HydrophobicContact CD1-CD2 4.43Å; I264-F345 HydrophobicContact CG2-CD2 4.36Å; I264-V347 HydrophobicContact CD1-CG2 4.33Å; I264-V362 HydrophobicContact CG2-CB 4.43Å; I264-V362 HydrophobicContact CG2-CG2 3.84Å; I264-W380 WeakPolarHBondContact O-CA 3.35Å; I264-R381 HydrophobicContact CG2-CB 4.39Å; I264-R381 PolarHBondContact N-O 3.09Å; I264-R381 PolarHBondContact O-N 3.42Å; I264-I383 HydrophobicContact CB-CD1 4.26Å; I264-I383 HydrophobicContact CB-CG1 4.25Å; I264-I383 HydrophobicContact CG2-CG1 4.33Å |
| 265 | C | 97.4 | Very high | 79.8 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.02 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.5 | 178.2 | -165.5 | 0 | 0 | 0 | 0 | 111.5 | L282 K283 I379 W380 | C265-L282 HydrophobicContact CB-CB 4.43Å; C265-L282 WeakPolarHBondContact O-CB 3.15Å; C265-L282 PolarHBondContact O-N 2.55Å; C265-K283 WeakPolarHBondContact CA-O 3.36Å; C265-K283 HydrophobicContact CB-CG 4.02Å; C265-K283 WeakPolarHBondContact CB-O 3.45Å; C265-K283 PolarHBondContact N-O 3.49Å; C265-K283 PolarHBondContact O-N 2.75Å; C265-I379 VanDerWaalsContact CA-O 3.29Å; C265-I379 WeakPolarHBondContact CA-O 3.43Å; C265-W380 HydrophobicContact CB-CD2 3.78Å; C265-W380 HydrophobicContact CB-CE3 3.71Å; C265-W380 HydrophobicContact CB-CH2 3.62Å; C265-W380 HydrophobicContact CB-CZ2 3.69Å; C265-W380 HydrophobicContact CB-CZ3 3.63Å |
| 266 | F | 96.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 166.8 | -174.6 | 57.4 | -83.1 | 0 | 0 | 0 | 112.2 | I264 L268 K280 I281 F345 V364 I379 R381 | I264-F266 HydrophobicContact CG2-CD1 4.19Å; I264-F266 HydrophobicContact CG2-CE1 4.24Å; F266-L268 HydrophobicContact CD2-CD1 4.43Å; F266-L268 HydrophobicContact CD2-CD2 4Å; F266-L268 HydrophobicContact CD2-CG 3.86Å; F266-L268 HydrophobicContact CE2-CD1 3.9Å; F266-L268 HydrophobicContact CE2-CD2 4.24Å; F266-L268 HydrophobicContact CE2-CG 3.84Å; F266-K280 CarbonylContact C-O 3.51Å; F266-K280 WeakPolarHBondContact CA-O 3.39Å; F266-K280 VanDerWaalsContact CB-O 3.31Å; F266-K280 WeakPolarHBondContact CB-O 3.17Å; F266-I281 HydrophobicContact CB-CD1 4.08Å; F266-F345 HydrophobicContact CD1-CD2 4.5Å; F266-F345 AromaticContact CD1-CE2 3.66Å; F266-F345 HydrophobicContact CD1-CE2 3.66Å; F266-F345 HydrophobicContact CD1-CZ 4.37Å; F266-F345 AromaticContact CD2-CE2 3.99Å; F266-F345 HydrophobicContact CD2-CE2 3.99Å; F266-F345 HydrophobicContact CD2-CZ 4.04Å; F266-F345 HydrophobicContact CE1-CD2 4.47Å; F266-F345 AromaticContact CE1-CE2 3.72Å; F266-F345 HydrophobicContact CE1-CE2 3.72Å; F266-F345 HydrophobicContact CE2-CE2 4.03Å; F266-F345 HydrophobicContact CE2-CZ 4.33Å; F266-F345 AromaticContact CG-CE2 3.82Å; F266-F345 HydrophobicContact CG-CE2 3.82Å; F266-F345 HydrophobicContact CG-CZ 4.06Å; F266-F345 AromaticContact CZ-CE2 3.9Å; F266-F345 HydrophobicContact CZ-CE2 3.9Å; F266-V364 HydrophobicContact CE2-CG2 4.19Å; F266-V364 HydrophobicContact CZ-CG2 3.76Å; F266-I379 HydrophobicContact CD2-CB 4.18Å; F266-I379 HydrophobicContact CD2-CD1 4.08Å; F266-I379 HydrophobicContact CE1-CB 4.33Å; F266-I379 HydrophobicContact CE1-CG2 4.05Å; F266-I379 HydrophobicContact CE2-CB 3.83Å; F266-I379 HydrophobicContact CE2-CD1 3.71Å; F266-I379 HydrophobicContact CE2-CG1 4.4Å; F266-I379 HydrophobicContact CE2-CG2 3.79Å; F266-I379 HydrophobicContact CZ-CB 3.9Å; F266-I379 HydrophobicContact CZ-CG2 3.46Å; F266-I379 VanDerWaalsContact CZ-CG2 3.46Å; F266-I379 PolarHBondContact N-O 3.41Å; F266-I379 PolarHBondContact O-N 3.16Å; F266-R381 HydrophobicContact CE1-CB 4.11Å; F266-R381 HydrophobicContact CE1-CG 3.8Å; F266-R381 HydrophobicContact CZ-CG 3.84Å |
| 267 | L | 94.1 | Very high | 85.6 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 144.4 | 167.5 | -59.2 | 174.2 | 0 | 0 | 0 | 109.6 | K280 L282 K377 P378 | L267-K280 HydrophobicContact CB-CB 4.25Å; L267-K280 HydrophobicContact CD1-CD 4.4Å; L267-K280 PolarHBondContact N-O 2.95Å; L267-K280 PolarHBondContact O-N 2.87Å; L267-L282 HydrophobicContact CD1-CD2 4.39Å; L267-L282 HydrophobicContact CD2-CD1 4.4Å; L267-L282 HydrophobicContact CG-CD1 4.07Å; L267-L282 HydrophobicContact CG-CD2 4.45Å; L267-L282 HydrophobicContact CG-CG 4.41Å; L267-K377 VanDerWaalsContact CD2-O 3.29Å; L267-K377 WeakPolarHBondContact CD2-O 3.42Å; L267-P378 HydrophobicContact CD2-CB 4.49Å; L267-P378 HydrophobicContact CD2-CG 4.31Å |
| 268 | L | 92.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136 | 169.3 | -60.8 | -178.5 | 0 | 0 | 0 | 108.5 | F266 V279 L343 V364 L367 F370 G375 I379 | F266-L268 HydrophobicContact CD2-CD1 4.43Å; F266-L268 HydrophobicContact CD2-CD2 4Å; F266-L268 HydrophobicContact CD2-CG 3.86Å; F266-L268 HydrophobicContact CE2-CD1 3.9Å; F266-L268 HydrophobicContact CE2-CD2 4.24Å; F266-L268 HydrophobicContact CE2-CG 3.84Å; L268-V279 HydrophobicContact CD2-CB 4.27Å; L268-V279 HydrophobicContact CD2-CG1 4.01Å; L268-V279 HydrophobicContact CD2-CG2 3.87Å; L268-L343 HydrophobicContact CD1-CD2 4.41Å; L268-L343 HydrophobicContact CD2-CD2 3.4Å; L268-L343 VanDerWaalsContact CD2-CD2 3.4Å; L268-V364 HydrophobicContact CD1-CG1 4.17Å; L268-L367 HydrophobicContact CD1-CD2 4.18Å; L268-F370 HydrophobicContact CB-CB 3.85Å; L268-F370 HydrophobicContact CB-CG 4.31Å; L268-F370 HydrophobicContact CD1-CB 4.22Å; L268-F370 HydrophobicContact CD1-CD1 4.42Å; L268-F370 HydrophobicContact CD1-CD2 3.86Å; L268-F370 HydrophobicContact CD1-CE2 4.34Å; L268-F370 HydrophobicContact CD1-CG 3.9Å; L268-G375 WeakPolarHBondContact O-CA 3.48Å; L268-I379 HydrophobicContact CB-CD1 4.09Å; L268-I379 HydrophobicContact CD1-CD1 4.07Å; L268-I379 HydrophobicContact CG-CD1 3.85Å |
| 269 | R | 89.9 | Confident | 91.1 | Very high | 122 Ų | 122 | 49.8 Ų | 49.8 | 46% | 0.46 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 134.1 | 172.4 | -173.5 | -177.4 | 71.6 | -146.7 | 3 | 109.6 | V278 | R269-V278 PolarHBondContact N-O 2.68Å; R269-V278 WeakPolarHBondContact O-CA 3.38Å; R269-V278 WeakPolarHBondContact O-CB 3.29Å; R269-V278 PolarHBondContact O-N 2.99Å |
| 270 | Y | 91.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 46 Ų | 46 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 134.2 | 170.1 | -167.6 | -103.9 | 0 | 0 | 0 | 110.9 | F272 E275 L277 V333 L335 L338 | Y270-F272 HydrophobicContact CD1-CB 4.45Å; Y270-F272 AromaticContact CD1-CD1 3.59Å; Y270-F272 HydrophobicContact CD1-CD1 3.59Å; Y270-F272 AromaticContact CD1-CD2 3.98Å; Y270-F272 HydrophobicContact CD1-CD2 3.98Å; Y270-F272 AromaticContact CD1-CE1 3.69Å; Y270-F272 HydrophobicContact CD1-CE1 3.69Å; Y270-F272 HydrophobicContact CD1-CE2 4.06Å; Y270-F272 AromaticContact CD1-CG 3.74Å; Y270-F272 HydrophobicContact CD1-CG 3.74Å; Y270-F272 AromaticContact CD1-CZ 3.93Å; Y270-F272 HydrophobicContact CD1-CZ 3.93Å; Y270-F272 HydrophobicContact CE1-CB 4.46Å; Y270-F272 AromaticContact CE1-CD1 3.77Å; Y270-F272 HydrophobicContact CE1-CD1 3.77Å; Y270-F272 HydrophobicContact CE1-CE1 4.16Å; Y270-F272 HydrophobicContact CE1-CG 4.09Å; Y270-E275 VanDerWaalsContact OH-CA 3.32Å; Y270-E275 WeakPolarHBondContact OH-CA 3.31Å; Y270-L277 HydrophobicContact CD2-CB 4.46Å; Y270-V333 HydrophobicContact CE2-CG1 4.39Å; Y270-V333 WeakPolarHBondContact CE2-O 3.35Å; Y270-V333 PolarHBondContact OH-O 3.46Å; Y270-L335 HydrophobicContact CD1-CD1 3.98Å; Y270-L335 HydrophobicContact CE1-CB 3.95Å; Y270-L335 HydrophobicContact CE1-CD1 3.81Å; Y270-L335 HydrophobicContact CE1-CG 4.35Å; Y270-L335 PolarHBondContact OH-N 3.33Å; Y270-L338 HydrophobicContact CD2-CD2 3.79Å; Y270-L338 HydrophobicContact CE2-CD2 4.23Å; Y270-L338 HydrophobicContact CG-CD2 4.29Å |
| 271 | A | 90.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 89 | 177 | 0 | 0 | 0 | 0 | 0 | 109.3 | N273 T274 E275 Q276 V278 | A271-N273 PolarHBondContact O-N 2.58Å; A271-N273 VanDerWaalsContact O-N 3.13Å; A271-T274 PolarHBondContact O-N 2.75Å; A271-T274 VanDerWaalsContact O-N 3.1Å; A271-E275 PolarHBondContact O-N 3.19Å; A271-Q276 HydrophobicContact CB-CB 4.32Å; A271-Q276 PolarHBondContact N-O 2.84Å; A271-Q276 PolarHBondContact O-N 2.9Å; A271-V278 HydrophobicContact CB-CG2 4.13Å |
| 272 | F | 89.9 | Confident | 94.2 | Very high | 115 Ų | 115 | 41.4 Ų | 41.4 | 50% | 0.504 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.5 | -176.4 | -63 | -90.7 | 0 | 0 | 0 | 114.1 | Y270 L335 | Y270-F272 HydrophobicContact CD1-CB 4.45Å; Y270-F272 AromaticContact CD1-CD1 3.59Å; Y270-F272 HydrophobicContact CD1-CD1 3.59Å; Y270-F272 AromaticContact CD1-CD2 3.98Å; Y270-F272 HydrophobicContact CD1-CD2 3.98Å; Y270-F272 AromaticContact CD1-CE1 3.69Å; Y270-F272 HydrophobicContact CD1-CE1 3.69Å; Y270-F272 HydrophobicContact CD1-CE2 4.06Å; Y270-F272 AromaticContact CD1-CG 3.74Å; Y270-F272 HydrophobicContact CD1-CG 3.74Å; Y270-F272 AromaticContact CD1-CZ 3.93Å; Y270-F272 HydrophobicContact CD1-CZ 3.93Å; Y270-F272 HydrophobicContact CE1-CB 4.46Å; Y270-F272 AromaticContact CE1-CD1 3.77Å; Y270-F272 HydrophobicContact CE1-CD1 3.77Å; Y270-F272 HydrophobicContact CE1-CE1 4.16Å; Y270-F272 HydrophobicContact CE1-CG 4.09Å; F272-L335 HydrophobicContact CD1-CD2 4.04Å; F272-L335 HydrophobicContact CE1-CD1 4.05Å; F272-L335 HydrophobicContact CE1-CD2 3.8Å |
| 273 | N | 91.3 | Very high | 94.4 | Very high | 145 Ų | 145 | 44.7 Ų | 44.7 | 78% | 0.775 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -12 | -179.9 | 65.7 | -40.6 | 0 | 0 | 0 | 114.6 | A271 | A271-N273 PolarHBondContact O-N 2.58Å; A271-N273 VanDerWaalsContact O-N 3.13Å |
| 274 | T | 92.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 40.2 Ų | 40.2 | 40% | 0.399 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | 6.4 | 178.8 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | A271 Q276 | A271-T274 PolarHBondContact O-N 2.75Å; A271-T274 VanDerWaalsContact O-N 3.1Å; T274-Q276 VanDerWaalsContact C-N 3.35Å; T274-Q276 WeakPolarHBondContact O-CG 3.3Å; T274-Q276 PolarHBondContact O-N 3.1Å; T274-Q276 VanDerWaalsContact OG1-CD 3.29Å; T274-Q276 PolarHBondContact OG1-OE1 3.05Å |
| 275 | E | 93.3 | Very high | 94.4 | Very high | 104 Ų | 104 | 41.9 Ų | 41.9 | 49% | 0.486 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 50.3 | -174.1 | -58.6 | -159.7 | 124.5 | 0 | 0 | 113.7 | Y270 A271 G332 V333 | Y270-E275 VanDerWaalsContact OH-CA 3.32Å; Y270-E275 WeakPolarHBondContact OH-CA 3.31Å; A271-E275 PolarHBondContact O-N 3.19Å; E275-G332 WeakPolarHBondContact O-CA 3.48Å; E275-V333 PolarHBondContact O-N 3.21Å |
| 276 | Q | 93.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 24% | 0.238 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.7 | -174.2 | -76.4 | 159.6 | 7.8 | 0 | 0 | 113.2 | A271 T274 V278 F331 | A271-Q276 HydrophobicContact CB-CB 4.32Å; A271-Q276 PolarHBondContact N-O 2.84Å; A271-Q276 PolarHBondContact O-N 2.9Å; T274-Q276 VanDerWaalsContact C-N 3.35Å; T274-Q276 WeakPolarHBondContact O-CG 3.3Å; T274-Q276 PolarHBondContact O-N 3.1Å; T274-Q276 VanDerWaalsContact OG1-CD 3.29Å; T274-Q276 PolarHBondContact OG1-OE1 3.05Å; Q276-V278 PolarHBondContact O-N 2.79Å; Q276-F331 CarbonylContact C-O 3.53Å; Q276-F331 VanDerWaalsContact CA-O 3.28Å; Q276-F331 WeakPolarHBondContact CA-O 3.29Å |
| 277 | L | 93.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 113 | 160.6 | 179.8 | 66.8 | 0 | 0 | 0 | 109 | Y270 V279 L304 F331 V333 L338 L343 L367 | Y270-L277 HydrophobicContact CD2-CB 4.46Å; L277-V279 HydrophobicContact CD2-CG2 4.31Å; L277-V279 HydrophobicContact CG-CG2 4.09Å; L277-L304 HydrophobicContact CD2-CD1 3.95Å; L277-F331 HydrophobicContact CB-CB 4.43Å; L277-F331 PolarHBondContact N-O 3.43Å; L277-F331 PolarHBondContact O-N 2.94Å; L277-V333 HydrophobicContact CB-CG1 3.81Å; L277-L338 HydrophobicContact CD2-CD1 4.34Å; L277-L343 HydrophobicContact CD2-CD1 4.43Å; L277-L367 HydrophobicContact CD2-CD1 4.03Å |
| 278 | V | 94.1 | Very high | 94.4 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.2 | 175.7 | -171.4 | 0 | 0 | 0 | 0 | 109 | R269 A271 Q276 T328 Q330 | R269-V278 PolarHBondContact N-O 2.68Å; R269-V278 WeakPolarHBondContact O-CA 3.38Å; R269-V278 WeakPolarHBondContact O-CB 3.29Å; R269-V278 PolarHBondContact O-N 2.99Å; A271-V278 HydrophobicContact CB-CG2 4.13Å; Q276-V278 PolarHBondContact O-N 2.79Å; V278-T328 HydrophobicContact CG1-CG2 3.61Å; V278-Q330 HydrophobicContact CG2-CG 4.45Å |
| 279 | V | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 118.2 | -177.2 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | L268 L277 I281 T328 F329 F331 L343 F345 | L268-V279 HydrophobicContact CD2-CB 4.27Å; L268-V279 HydrophobicContact CD2-CG1 4.01Å; L268-V279 HydrophobicContact CD2-CG2 3.87Å; L277-V279 HydrophobicContact CD2-CG2 4.31Å; L277-V279 HydrophobicContact CG-CG2 4.09Å; V279-I281 HydrophobicContact CG1-CD1 4.01Å; V279-T328 CarbonylContact O-C 3.51Å; V279-T328 WeakPolarHBondContact O-CA 3.1Å; V279-F329 PolarHBondContact N-O 3.19Å; V279-F329 PolarHBondContact O-N 3.01Å; V279-F331 HydrophobicContact CG2-CD2 4.21Å; V279-F331 HydrophobicContact CG2-CE2 4.33Å; V279-L343 HydrophobicContact CG1-CD2 3.97Å; V279-L343 HydrophobicContact CG2-CD1 4Å; V279-L343 HydrophobicContact CG2-CD2 3.77Å; V279-F345 HydrophobicContact CG1-CE1 3.94Å; V279-F345 HydrophobicContact CG1-CZ 4.05Å |
| 280 | K | 96.7 | Very high | 94.5 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 30% | 0.296 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 113.7 | 173.9 | -176.3 | 177.2 | -178 | -175.3 | 0 | 110.7 | F266 L267 L282 N326 E327 T328 | F266-K280 CarbonylContact C-O 3.51Å; F266-K280 WeakPolarHBondContact CA-O 3.39Å; F266-K280 VanDerWaalsContact CB-O 3.31Å; F266-K280 WeakPolarHBondContact CB-O 3.17Å; L267-K280 HydrophobicContact CB-CB 4.25Å; L267-K280 HydrophobicContact CD1-CD 4.4Å; L267-K280 PolarHBondContact N-O 2.95Å; L267-K280 PolarHBondContact O-N 2.87Å; K280-L282 HydrophobicContact CD-CD2 3.86Å; K280-L282 HydrophobicContact CG-CD2 3.98Å; K280-N326 VanDerWaalsContact CE-O 3.29Å; K280-N326 WeakPolarHBondContact CE-O 3.42Å; K280-E327 CarbonylContact C-O 3.57Å; K280-E327 VanDerWaalsContact CA-O 3.31Å; K280-E327 WeakPolarHBondContact CA-O 3.2Å; K280-T328 HydrophobicContact CB-CG2 4.26Å; K280-T328 WeakPolarHBondContact CG-OG1 3.44Å |
| 281 | I | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 119.2 | 172.7 | -51.7 | -55 | 0 | 0 | 0 | 107.7 | I264 F266 V279 I302 T314 F325 N326 E327 F329 F345 | I264-I281 HydrophobicContact CD1-CG2 4.13Å; I264-I281 HydrophobicContact CG1-CG2 4.47Å; F266-I281 HydrophobicContact CB-CD1 4.08Å; V279-I281 HydrophobicContact CG1-CD1 4.01Å; I281-I302 HydrophobicContact CD1-CD1 3.96Å; I281-I302 HydrophobicContact CG1-CD1 3.65Å; I281-T314 HydrophobicContact CB-CG2 4.41Å; I281-T314 HydrophobicContact CG1-CG2 4.37Å; I281-F325 HydrophobicContact CB-CB 4.47Å; I281-F325 HydrophobicContact CG2-CB 4.16Å; I281-F325 HydrophobicContact CG2-CD2 3.58Å; I281-F325 HydrophobicContact CG2-CE2 4.26Å; I281-F325 HydrophobicContact CG2-CG 4.08Å; I281-N326 CarbonylContact O-C 3.56Å; I281-N326 WeakPolarHBondContact O-CA 3.44Å; I281-N326 PolarHBondContact O-N 3.15Å; I281-E327 PolarHBondContact N-O 3.04Å; I281-E327 PolarHBondContact O-N 3.27Å; I281-E327 VanDerWaalsContact O-N 3.11Å; I281-F329 HydrophobicContact CG1-CD2 4.4Å; I281-F329 HydrophobicContact CG1-CE2 4.08Å; I281-F345 HydrophobicContact CD1-CD1 4.16Å; I281-F345 HydrophobicContact CD1-CE1 3.64Å; I281-F345 HydrophobicContact CD1-CE2 4.42Å; I281-F345 HydrophobicContact CD1-CZ 3.78Å |
| 282 | L | 98.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 13% | 0.131 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -61.9 | -177.1 | -61.9 | 177.1 | 0 | 0 | 0 | 110.8 | C265 L267 K280 V324 F325 N326 P378 | C265-L282 HydrophobicContact CB-CB 4.43Å; C265-L282 WeakPolarHBondContact O-CB 3.15Å; C265-L282 PolarHBondContact O-N 2.55Å; L267-L282 HydrophobicContact CD1-CD2 4.39Å; L267-L282 HydrophobicContact CD2-CD1 4.4Å; L267-L282 HydrophobicContact CG-CD1 4.07Å; L267-L282 HydrophobicContact CG-CD2 4.45Å; L267-L282 HydrophobicContact CG-CG 4.41Å; K280-L282 HydrophobicContact CD-CD2 3.86Å; K280-L282 HydrophobicContact CG-CD2 3.98Å; L282-V324 CarbonylContact O-C 3.51Å; L282-F325 PolarHBondContact O-N 2.71Å; L282-N326 PolarHBondContact O-N 2.68Å; L282-P378 HydrophobicContact CD1-CB 4.05Å; L282-P378 HydrophobicContact CD1-CG 4.23Å |
| 283 | K | 98.3 | Very high | 93.7 | Very high | 77 Ų | 77 | 50.4 Ų | 50.4 | 34% | 0.335 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 164 | -176.5 | 57.5 | 175.4 | 175.4 | 172.9 | 0 | 111.5 | C265 L285 P323 V324 W380 | C265-K283 WeakPolarHBondContact CA-O 3.36Å; C265-K283 HydrophobicContact CB-CG 4.02Å; C265-K283 WeakPolarHBondContact CB-O 3.45Å; C265-K283 PolarHBondContact N-O 3.49Å; C265-K283 PolarHBondContact O-N 2.75Å; K283-L285 HydrophobicContact CD-CD2 4.49Å; K283-P323 CarbonylContact C-O 3.54Å; K283-P323 WeakPolarHBondContact CA-O 3.43Å; K283-P323 WeakPolarHBondContact CB-O 3.46Å; K283-V324 HydrophobicContact CB-CB 4.37Å; K283-V324 HydrophobicContact CB-CG1 4.49Å; K283-V324 HydrophobicContact CB-CG2 4.03Å; K283-V324 HydrophobicContact CD-CG2 4.48Å; K283-W380 HydrophobicContact CD-CH2 4.41Å; K283-W380 HydrophobicContact CG-CH2 4.27Å |
| 284 | A | 98.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 161.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | R263 L287 N322 P323 F325 | R263-A284 CarbonylContact O-C 3.3Å; R263-A284 VanDerWaalsContact O-CA 3.25Å; R263-A284 WeakPolarHBondContact O-CA 3.24Å; R263-A284 WeakPolarHBondContact O-CB 3.14Å; A284-L287 HydrophobicContact CB-CD1 4.1Å; A284-L287 HydrophobicContact CB-CD2 3.93Å; A284-L287 HydrophobicContact CB-CG 4.1Å; A284-N322 CarbonylContact O-C 3.57Å; A284-N322 WeakPolarHBondContact O-CA 3.5Å; A284-P323 HydrophobicContact CB-CG 3.94Å; A284-P323 PolarHBondContact N-O 2.91Å; A284-F325 HydrophobicContact CB-CE2 4.39Å |
| 285 | L | 97.8 | Very high | 93.6 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 18% | 0.183 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.8 | 172.2 | -63.5 | 177.2 | 0 | 0 | 0 | 110.1 | G262 R263 K283 L287 N322 W380 | G262-L285 CarbonylContact C-O 3.53Å; G262-L285 VanDerWaalsContact CA-O 3.25Å; G262-L285 WeakPolarHBondContact CA-O 3.09Å; R263-L285 HydrophobicContact CG-CB 4.24Å; R263-L285 PolarHBondContact N-O 2.99Å; R263-L285 PolarHBondContact O-N 3.07Å; K283-L285 HydrophobicContact CD-CD2 4.49Å; L285-L287 PolarHBondContact O-N 3.03Å; L285-L287 VanDerWaalsContact O-N 3.17Å; L285-N322 VanDerWaalsContact CA-OD1 3.23Å; L285-N322 WeakPolarHBondContact CA-OD1 3.36Å; L285-N322 HydrophobicContact CD2-CB 4.16Å; L285-N322 VanDerWaalsContact CD2-OD1 3.22Å; L285-N322 WeakPolarHBondContact CD2-OD1 3.36Å; L285-W380 HydrophobicContact CB-CZ3 4.4Å; L285-W380 HydrophobicContact CD1-CH2 3.37Å; L285-W380 HydrophobicContact CD1-CZ2 4.27Å; L285-W380 HydrophobicContact CD1-CZ3 3.83Å; L285-W380 HydrophobicContact CG-CH2 3.7Å; L285-W380 HydrophobicContact CG-CZ3 3.95Å |
| 286 | D | 96.4 | Very high | 93.8 | Very high | 87 Ų | 87 | 42.1 Ų | 42.1 | 47% | 0.465 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 58.8 | 30.2 | 165.1 | -44.8 | -53.5 | 0 | 0 | 0 | 113.4 | G262 R263 L321 N322 | G262-D286 WeakPolarHBondContact CA-O 3.45Å; G262-D286 PolarHBondContact N-O 3.33Å; R263-D286 IonicContact CZ-OD2 3.7Å; R263-D286 IonicContact NE-OD2 3.78Å; R263-D286 PolarHBondContact NE-OD2 2.85Å; R263-D286 IonicContact NH2-OD2 2.75Å; D286-L321 PolarHBondContact N-O 2.85Å; D286-N322 PolarHBondContact N-OD1 2.85Å |
| 287 | L | 96.8 | Very high | 94 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 148.4 | 178.5 | -60 | -178.1 | 0 | 0 | 0 | 111.2 | C261 A284 L285 P298 L321 P323 V347 I359 I383 | C261-L287 WeakPolarHBondContact O-CD2 3.35Å; A284-L287 HydrophobicContact CB-CD1 4.1Å; A284-L287 HydrophobicContact CB-CD2 3.93Å; A284-L287 HydrophobicContact CB-CG 4.1Å; L285-L287 PolarHBondContact O-N 3.03Å; L285-L287 VanDerWaalsContact O-N 3.17Å; L287-P298 HydrophobicContact CD1-CB 3.69Å; L287-P298 HydrophobicContact CD1-CG 3.91Å; L287-L321 HydrophobicContact CB-CB 4.43Å; L287-L321 WeakPolarHBondContact CB-O 3.16Å; L287-L321 WeakPolarHBondContact CG-O 3.32Å; L287-L321 PolarHBondContact N-O 3.18Å; L287-L321 WeakPolarHBondContact O-CB 3.1Å; L287-L321 WeakPolarHBondContact O-CD1 3.24Å; L287-L321 WeakPolarHBondContact O-CD2 3.49Å; L287-P323 HydrophobicContact CD1-CG 3.86Å; L287-V347 HydrophobicContact CD1-CG1 4.31Å; L287-V347 HydrophobicContact CD2-CG1 4.38Å; L287-I359 HydrophobicContact CD1-CD1 4.47Å; L287-I359 HydrophobicContact CD2-CG2 4.18Å; L287-I383 HydrophobicContact CD2-CD1 3.39Å |
| 288 | P | 94.5 | Very high | 94.2 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 22% | 0.221 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 144.6 | 171.6 | 29.3 | -35.3 | 0 | 0 | 0 | 111 | S296 I359 | P288-S296 PolarHBondContact O-OG 3.4Å; P288-I359 HydrophobicContact CG-CG2 3.81Å |
| 289 | A | 93.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 39 Ų | 39 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -70.9 | 128.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | G294 F295 S296 L321 | A289-G294 VanDerWaalsContact CB-C 3.5Å; A289-G294 WeakPolarHBondContact CB-O 3.47Å; A289-F295 VanDerWaalsContact CA-O 3.28Å; A289-F295 WeakPolarHBondContact CA-O 3.47Å; A289-F295 WeakPolarHBondContact CB-O 3.46Å; A289-S296 WeakPolarHBondContact CA-OG 3.44Å; A289-L321 HydrophobicContact CB-CD1 4.43Å; A289-L321 HydrophobicContact CB-CD2 4.21Å |
| 290 | K | 90.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 39 Ų | 39 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | trans | -110.5 | -35.8 | 171.1 | -56.3 | -66.1 | -161.3 | 149.1 | 0 | 110.9 | F295 S296 D349 D357 L358 I359 | K290-F295 PolarHBondContact N-O 3.06Å; K290-S296 PolarHBondContact N-OG 3.24Å; K290-S296 VanDerWaalsContact N-OG 3.09Å; K290-D349 HydrophobicContact CB-CB 4.22Å; K290-D349 WeakPolarHBondContact CB-OD2 3.27Å; K290-D349 HydrophobicContact CG-CB 4.32Å; K290-D357 HydrophobicContact CB-CB 4.4Å; K290-D357 WeakPolarHBondContact CD-OD2 3.18Å; K290-D357 HydrophobicContact CG-CB 4.45Å; K290-D357 IonicContact NZ-OD2 2.68Å; K290-L358 WeakPolarHBondContact CE-O 3.36Å; K290-L358 PolarHBondContact NZ-O 3.44Å; K290-I359 HydrophobicContact CG-CG1 3.94Å | ||
| 291 | D | 86.4 | Confident | 94.5 | Very high | 56 Ų | 56 | 37.3 Ų | 37.3 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -63.6 | 137.8 | 175.8 | -146.5 | -21.9 | 0 | 0 | 0 | 111.8 | N293 G294 F295 | D291-N293 PolarHBondContact O-N 2.69Å; D291-N293 PolarHBondContact OD1-ND2 3.16Å; D291-N293 PolarHBondContact OD2-ND2 3.2Å; D291-G294 PolarHBondContact O-N 2.9Å; D291-F295 WeakPolarHBondContact CB-O 3.26Å; D291-F295 PolarHBondContact N-O 2.85Å |
| 292 | A | 83.6 | Confident | 94.5 | Very high | 112 Ų | 112 | 37.3 Ų | 37.3 | 93% | 0.926 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -6.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 293 | N | 84.1 | Confident | 94.2 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 35% | 0.348 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -0.5 | 174 | 68 | 48.8 | 0 | 0 | 0 | 114.5 | D291 F295 | D291-N293 PolarHBondContact O-N 2.69Å; D291-N293 PolarHBondContact OD1-ND2 3.16Å; D291-N293 PolarHBondContact OD2-ND2 3.2Å; N293-F295 WeakPolarHBondContact O-CD2 3.41Å; N293-F295 WeakPolarHBondContact OD1-CB 3.21Å; N293-F295 WeakPolarHBondContact OD1-CD2 3.41Å; N293-F295 PolarHBondContact OD1-N 2.93Å; N293-F295 VanDerWaalsContact OD1-N 3.09Å |
| 294 | G | 89.3 | Confident | 94 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 44% | 0.443 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 87.1 | 9.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A289 D291 | A289-G294 VanDerWaalsContact CB-C 3.5Å; A289-G294 WeakPolarHBondContact CB-O 3.47Å; D291-G294 PolarHBondContact O-N 2.9Å |
| 295 | F | 94.4 | Very high | 93.4 | Very high | 97 Ų | 97 | 35.8 Ų | 35.8 | 43% | 0.425 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -126.3 | -161 | 173 | -59.9 | -93.1 | 0 | 0 | 0 | 110.1 | A289 K290 D291 N293 K319 | A289-F295 VanDerWaalsContact CA-O 3.28Å; A289-F295 WeakPolarHBondContact CA-O 3.47Å; A289-F295 WeakPolarHBondContact CB-O 3.46Å; K290-F295 PolarHBondContact N-O 3.06Å; D291-F295 WeakPolarHBondContact CB-O 3.26Å; D291-F295 PolarHBondContact N-O 2.85Å; N293-F295 WeakPolarHBondContact O-CD2 3.41Å; N293-F295 WeakPolarHBondContact OD1-CB 3.21Å; N293-F295 WeakPolarHBondContact OD1-CD2 3.41Å; N293-F295 PolarHBondContact OD1-N 2.93Å; N293-F295 VanDerWaalsContact OD1-N 3.09Å; F295-K319 HydrophobicContact CB-CB 4.22Å; F295-K319 WeakPolarHBondContact CD1-O 3.18Å; F295-K319 HydrophobicContact CG-CB 4.3Å |
| 296 | S | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -144.8 | 160.6 | 166.9 | -56.3 | 0 | 0 | 0 | 0 | 107.2 | P288 A289 K290 P298 K319 T320 D349 | P288-S296 PolarHBondContact O-OG 3.4Å; A289-S296 WeakPolarHBondContact CA-OG 3.44Å; K290-S296 PolarHBondContact N-OG 3.24Å; K290-S296 VanDerWaalsContact N-OG 3.09Å; S296-P298 WeakPolarHBondContact O-CD 3.25Å; S296-K319 CarbonylContact O-C 3.35Å; S296-K319 VanDerWaalsContact O-CA 3.27Å; S296-K319 WeakPolarHBondContact O-CA 3.26Å; S296-K319 PolarHBondContact O-N 3.49Å; S296-T320 PolarHBondContact O-N 3.1Å; S296-D349 VanDerWaalsContact CA-OD2 3.3Å; S296-D349 WeakPolarHBondContact CA-OD2 3.22Å; S296-D349 VanDerWaalsContact CB-OD2 3.22Å; S296-D349 WeakPolarHBondContact CB-OD2 3.17Å; S296-D349 PolarHBondContact OG-OD2 3.39Å | ||
| 297 | D | 97.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | trans | -102 | 62.8 | 166.7 | -80.1 | 1.7 | 0 | 0 | 0 | 110.9 | V316 H317 R318 K319 D349 F350 | D297-V316 HydrophobicContact CB-CG1 3.95Å; D297-V316 WeakPolarHBondContact O-CG1 3.31Å; D297-H317 CarbonylContact C-O 3.57Å; D297-H317 VanDerWaalsContact C-O 3.26Å; D297-H317 VanDerWaalsContact CA-O 3.25Å; D297-H317 WeakPolarHBondContact CA-O 3.48Å; D297-R318 WeakPolarHBondContact OD1-CA 3.43Å; D297-R318 WeakPolarHBondContact OD1-CB 3.16Å; D297-R318 IonicContact OD1-NE 2.66Å; D297-R318 IonicContact OD2-CZ 3.37Å; D297-R318 IonicContact OD2-NE 3.18Å; D297-R318 PolarHBondContact OD2-NE 3.43Å; D297-R318 IonicContact OD2-NH2 2.62Å; D297-R318 PolarHBondContact OD2-NH2 2.78Å; D297-K319 PolarHBondContact OD1-N 2.77Å; D297-D349 VanDerWaalsContact CA-OD1 3.31Å; D297-D349 WeakPolarHBondContact CA-OD1 3.15Å; D297-D349 PolarHBondContact N-OD1 3.18Å; D297-F350 HydrophobicContact CB-CB 3.99Å; D297-F350 VanDerWaalsContact O-CB 3.29Å; D297-F350 WeakPolarHBondContact O-CB 3.11Å; D297-F350 PolarHBondContact O-N 2.96Å | ||
| 298 | P | 97.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -68.2 | 148.9 | -165.4 | 28.4 | -40.3 | 0 | 0 | 0 | 116.1 | L287 S296 H317 T320 P323 Y348 I359 | L287-P298 HydrophobicContact CD1-CB 3.69Å; L287-P298 HydrophobicContact CD1-CG 3.91Å; S296-P298 WeakPolarHBondContact O-CD 3.25Å; P298-H317 WeakPolarHBondContact CD-O 3.01Å; P298-H317 PolarHBondContact O-N 2.83Å; P298-T320 WeakPolarHBondContact CD-O 3.26Å; P298-T320 HydrophobicContact CG-CG2 4.23Å; P298-T320 WeakPolarHBondContact CG-O 2.98Å; P298-P323 HydrophobicContact CB-CG 4.17Å; P298-P323 HydrophobicContact CG-CB 3.81Å; P298-P323 HydrophobicContact CG-CG 3.58Å; P298-Y348 CarbonylContact C-O 3.36Å; P298-Y348 VanDerWaalsContact CA-O 3.28Å; P298-Y348 WeakPolarHBondContact CA-O 3.17Å; P298-I359 HydrophobicContact CB-CD1 4.29Å | ||
| 299 | Y | 98.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 165.2 | 167 | 73.8 | -77.2 | 0 | 0 | 0 | 111.5 | K301 Q313 T314 K315 V316 Y348 D349 F350 H356 | Y299-K301 HydrophobicContact CE2-CD 4.36Å; Y299-K301 VanDerWaalsContact CE2-CE 3.5Å; Y299-K301 HydrophobicContact CE2-CG 3.9Å; Y299-K301 WeakPolarHBondContact OH-CE 3.41Å; Y299-K301 PolarHBondContact OH-NZ 3.01Å; Y299-Q313 VanDerWaalsContact CD2-CD 3.48Å; Y299-Q313 HydrophobicContact CD2-CG 3.49Å; Y299-Q313 VanDerWaalsContact CD2-CG 3.49Å; Y299-Q313 HydrophobicContact CE2-CG 3.79Å; Y299-T314 WeakPolarHBondContact CA-OG1 3.29Å; Y299-K315 WeakPolarHBondContact CB-O 3.5Å; Y299-V316 HydrophobicContact CD1-CG2 4.11Å; Y299-V316 HydrophobicContact CG-CG2 4.17Å; Y299-Y348 HydrophobicContact CE1-CG 4.39Å; Y299-Y348 VanDerWaalsContact CZ-CB 3.41Å; Y299-Y348 AromaticContact CZ-CG 3.99Å; Y299-Y348 PolarHBondContact N-O 2.83Å; Y299-Y348 PolarHBondContact O-N 2.93Å; Y299-Y348 WeakPolarHBondContact OH-CB 3.38Å; Y299-D349 WeakPolarHBondContact CE1-O 3.05Å; Y299-F350 HydrophobicContact CD1-CB 3.94Å; Y299-F350 HydrophobicContact CE1-CB 4.09Å; Y299-H356 HydrophobicContact CE1-CB 4.44Å; Y299-H356 AromaticContact CE1-ND1 3.66Å; Y299-H356 AromaticContact CZ-ND1 3.49Å; Y299-H356 PolarHBondContact OH-ND1 2.91Å |
| 300 | V | 98.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.6 | -175.1 | -168.9 | 0 | 0 | 0 | 0 | 110.8 | I264 I302 Q313 T314 F325 F345 S346 V347 | I264-V300 HydrophobicContact CD1-CG1 4.19Å; I264-V300 HydrophobicContact CD1-CG2 4.02Å; V300-I302 HydrophobicContact CG1-CG1 4.28Å; V300-Q313 CarbonylContact O-C 3.48Å; V300-Q313 VanDerWaalsContact O-CA 3.3Å; V300-Q313 WeakPolarHBondContact O-CA 3.49Å; V300-T314 HydrophobicContact CB-CG2 3.95Å; V300-T314 HydrophobicContact CG2-CG2 4.36Å; V300-T314 PolarHBondContact N-OG1 3.18Å; V300-T314 PolarHBondContact O-N 3.35Å; V300-F325 HydrophobicContact CG2-CE1 4.33Å; V300-F325 HydrophobicContact CG2-CE2 3.89Å; V300-F325 HydrophobicContact CG2-CZ 3.74Å; V300-F345 HydrophobicContact CG1-CB 4Å; V300-S346 WeakPolarHBondContact CA-O 3.43Å; V300-V347 HydrophobicContact CG1-CG2 4.48Å; V300-V347 HydrophobicContact CG2-CG2 4.26Å |
| 301 | K | 96.6 | Very high | 89.5 | Confident | 31 Ų | 31 | 56.8 Ų | 56.8 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.3 | 165.9 | -61.3 | 176.3 | -165.5 | 143.4 | 0 | 109.3 | Y299 Y303 F312 Q313 F345 S346 Y348 | Y299-K301 HydrophobicContact CE2-CD 4.36Å; Y299-K301 VanDerWaalsContact CE2-CE 3.5Å; Y299-K301 HydrophobicContact CE2-CG 3.9Å; Y299-K301 WeakPolarHBondContact OH-CE 3.41Å; Y299-K301 PolarHBondContact OH-NZ 3.01Å; K301-Y303 HydrophobicContact CB-CE2 3.71Å; K301-F312 WeakPolarHBondContact CA-O 3.2Å; K301-Q313 HydrophobicContact CG-CG 4.14Å; K301-F345 WeakPolarHBondContact O-CA 3.49Å; K301-S346 PolarHBondContact N-O 3.2Å; K301-S346 PolarHBondContact O-N 2.83Å; K301-Y348 HydrophobicContact CD-CD2 3.87Å; K301-Y348 HydrophobicContact CD-CE2 3.59Å; K301-Y348 HydrophobicContact CG-CD2 4.15Å; K301-Y348 HydrophobicContact CG-CE2 4.24Å; K301-Y348 VanDerWaalsContact NZ-CZ 3.34Å |
| 302 | I | 96.8 | Very high | 90 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.4 | -172.9 | -48.9 | 170.1 | 0 | 0 | 0 | 109.7 | I281 V300 K311 F312 F329 F331 L343 H344 F345 | I281-I302 HydrophobicContact CD1-CD1 3.96Å; I281-I302 HydrophobicContact CG1-CD1 3.65Å; V300-I302 HydrophobicContact CG1-CG1 4.28Å; I302-K311 CarbonylContact O-C 3.52Å; I302-K311 VanDerWaalsContact O-CA 3.24Å; I302-K311 WeakPolarHBondContact O-CA 3.14Å; I302-F312 HydrophobicContact CB-CB 4.37Å; I302-F312 PolarHBondContact N-O 2.69Å; I302-F312 PolarHBondContact O-N 3.07Å; I302-F329 HydrophobicContact CD1-CD2 3.33Å; I302-F329 HydrophobicContact CD1-CE2 3.5Å; I302-F329 VanDerWaalsContact CD1-CE2 3.5Å; I302-F329 HydrophobicContact CD1-CG 4Å; I302-F329 HydrophobicContact CD1-CZ 4.28Å; I302-F331 HydrophobicContact CG2-CE2 3.78Å; I302-F331 HydrophobicContact CG2-CZ 3.87Å; I302-L343 HydrophobicContact CG2-CD1 3.88Å; I302-H344 WeakPolarHBondContact CA-O 3.44Å; I302-F345 HydrophobicContact CB-CD1 4.3Å; I302-F345 HydrophobicContact CG1-CD1 3.98Å; I302-F345 HydrophobicContact CG1-CE1 4.28Å; I302-F345 HydrophobicContact CG2-CD1 3.83Å; I302-F345 HydrophobicContact CG2-CE1 3.72Å |
| 303 | Y | 93.4 | Very high | 90.7 | Very high | 35 Ų | 35 | 56.2 Ų | 56.2 | 14% | 0.137 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 151 | -179.1 | -50.9 | -100.9 | 0 | 0 | 0 | 110.8 | K301 K311 H344 | K301-Y303 HydrophobicContact CB-CE2 3.71Å; Y303-K311 HydrophobicContact CD1-CB 3.62Å; Y303-K311 HydrophobicContact CE1-CB 3.52Å; Y303-K311 HydrophobicContact CE1-CD 3.84Å; Y303-K311 HydrophobicContact CE1-CG 4.31Å; Y303-K311 HydrophobicContact CG-CB 4.36Å; Y303-H344 AromaticContact CD2-ND1 3.98Å; Y303-H344 PolarHBondContact N-O 3.48Å; Y303-H344 PolarHBondContact O-N 3.35Å |
| 304 | L | 92.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 84.9 | 172.7 | -173.8 | 65.6 | 0 | 0 | 0 | 109.8 | L277 D307 F331 V333 R341 K342 L343 L367 | L277-L304 HydrophobicContact CD2-CD1 3.95Å; L304-D307 WeakPolarHBondContact O-CB 3.32Å; L304-D307 PolarHBondContact O-N 2.9Å; L304-D307 VanDerWaalsContact O-N 3.07Å; L304-F331 HydrophobicContact CB-CD1 3.58Å; L304-F331 HydrophobicContact CB-CE1 3.69Å; L304-F331 HydrophobicContact CB-CG 4.04Å; L304-F331 HydrophobicContact CB-CZ 4.22Å; L304-F331 HydrophobicContact CD2-CB 3.75Å; L304-F331 HydrophobicContact CD2-CD1 4.16Å; L304-F331 HydrophobicContact CD2-CG 4.05Å; L304-V333 HydrophobicContact CD2-CB 3.93Å; L304-V333 HydrophobicContact CD2-CG1 3.95Å; L304-V333 HydrophobicContact CD2-CG2 4.14Å; L304-R341 HydrophobicContact CD1-CB 3.86Å; L304-R341 HydrophobicContact CG-CB 4.18Å; L304-R341 HydrophobicContact CG-CG 4.42Å; L304-K342 CarbonylContact C-O 3.45Å; L304-L343 HydrophobicContact CD1-CD1 4.32Å; L304-L367 HydrophobicContact CD1-CD1 3.81Å |
| 305 | L | 85.9 | Confident | 91.8 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 142.6 | -176.1 | -60 | -177.5 | 0 | 0 | 0 | 111.2 | R308 R341 K342 H344 | L305-R308 HydrophobicContact CD2-CG 3.66Å; L305-R341 WeakPolarHBondContact O-CA 3.38Å; L305-R341 WeakPolarHBondContact O-CD 3.28Å; L305-K342 HydrophobicContact CB-CB 4.33Å; L305-K342 WeakPolarHBondContact CB-O 3.36Å; L305-K342 PolarHBondContact N-O 2.93Å; L305-K342 PolarHBondContact O-N 3.37Å; L305-K342 VanDerWaalsContact O-N 3.16Å; L305-H344 HydrophobicContact CD1-CB 3.77Å; L305-H344 HydrophobicContact CD2-CB 4.46Å; L305-H344 HydrophobicContact CG-CB 3.84Å |
| 306 | P | 83.5 | Confident | 92 | Very high | 101 Ų | 101 | 55.8 Ų | 55.8 | 66% | 0.656 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -78.9 | -2 | 10.2 | 31.3 | -36.8 | 0 | 0 | 0 | 116.2 | R308 | P306-R308 PolarHBondContact O-N 2.83Å; P306-R308 VanDerWaalsContact O-N 3.17Å |
| 307 | D | 80.4 | Confident | 92 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 111.5 | 177.7 | -172.5 | 0.5 | 0 | 0 | 0 | 111.5 | L304 K309 K310 | L304-D307 WeakPolarHBondContact O-CB 3.32Å; L304-D307 PolarHBondContact O-N 2.9Å; L304-D307 VanDerWaalsContact O-N 3.07Å; D307-K309 WeakPolarHBondContact OD1-CA 3.48Å; D307-K309 WeakPolarHBondContact OD1-CB 3.34Å; D307-K309 PolarHBondContact OD1-N 2.96Å; D307-K310 PolarHBondContact OD1-N 2.87Å; D307-K310 WeakPolarHBondContact OD2-CB 3.46Å |
| 308 | R | 79.4 | Confident | 92 | Very high | 137 Ų | 137 | 65.6 Ų | 65.6 | 52% | 0.517 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -5.6 | 171.7 | -65.4 | -172.6 | -179.7 | -145.2 | 5.4 | 113.4 | L305 P306 E389 | L305-R308 HydrophobicContact CD2-CG 3.66Å; P306-R308 PolarHBondContact O-N 2.83Å; P306-R308 VanDerWaalsContact O-N 3.17Å; R308-E389 IonicContact CZ-OE1 2.69Å; R308-E389 IonicContact CZ-OE2 3.2Å; R308-E389 VanDerWaalsContact CZ-OE2 3.26Å; R308-E389 IonicContact NH1-OE1 3.67Å; R308-E389 IonicContact NH1-OE2 2.76Å; R308-E389 PolarHBondContact NH1-OE2 3.4Å; R308-E389 VanDerWaalsContact NH2-CD 3.27Å; R308-E389 IonicContact NH2-OE1 3.06Å; R308-E389 PolarHBondContact NH2-OE1 3.16Å; R308-E389 IonicContact NH2-OE2 2.64Å; R308-E389 PolarHBondContact NH2-OE2 2.85Å |
| 309 | K | 73.7 | Confident | 91.9 | Very high | 201 Ų | 201 | 71.7 Ų | 71.7 | 87% | 0.874 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -50.4 | 176.7 | -64 | -178.7 | 179.3 | 178.7 | 0 | 110.5 | D307 K311 | D307-K309 WeakPolarHBondContact OD1-CA 3.48Å; D307-K309 WeakPolarHBondContact OD1-CB 3.34Å; D307-K309 PolarHBondContact OD1-N 2.96Å; K309-K311 PolarHBondContact O-N 2.97Å |
| 310 | K | 81.8 | Confident | 91.9 | Very high | 94 Ų | 94 | 73.4 Ų | 73.4 | 41% | 0.409 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 115 | 175.9 | -170.6 | 173.9 | 179.5 | 174.6 | 0 | 110.1 | D307 F331 | D307-K310 PolarHBondContact OD1-N 2.87Å; D307-K310 WeakPolarHBondContact OD2-CB 3.46Å; K310-F331 HydrophobicContact CD-CD1 4.49Å |
| 311 | K | 90.2 | Very high | 91.8 | Very high | 123 Ų | 123 | 75.4 Ų | 75.4 | 54% | 0.535 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.4 | 177.8 | 70.7 | -165.6 | 179.4 | -168.4 | 0 | 111.2 | I302 Y303 K309 | I302-K311 CarbonylContact O-C 3.52Å; I302-K311 VanDerWaalsContact O-CA 3.24Å; I302-K311 WeakPolarHBondContact O-CA 3.14Å; Y303-K311 HydrophobicContact CD1-CB 3.62Å; Y303-K311 HydrophobicContact CE1-CB 3.52Å; Y303-K311 HydrophobicContact CE1-CD 3.84Å; Y303-K311 HydrophobicContact CE1-CG 4.31Å; Y303-K311 HydrophobicContact CG-CB 4.36Å; K309-K311 PolarHBondContact O-N 2.97Å |
| 312 | F | 96.5 | Very high | 91.9 | Very high | 62 Ų | 62 | 77.2 Ų | 77.2 | 27% | 0.272 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 164.5 | 163.8 | -66.3 | -71.9 | 0 | 0 | 0 | 110.2 | K301 I302 F329 Q330 F331 | K301-F312 WeakPolarHBondContact CA-O 3.2Å; I302-F312 HydrophobicContact CB-CB 4.37Å; I302-F312 PolarHBondContact N-O 2.69Å; I302-F312 PolarHBondContact O-N 3.07Å; F312-F329 HydrophobicContact CB-CB 4.24Å; F312-F329 HydrophobicContact CB-CD1 3.51Å; F312-F329 HydrophobicContact CB-CE1 4.03Å; F312-F329 HydrophobicContact CB-CG 3.93Å; F312-F329 AromaticContact CD1-CD1 3.91Å; F312-F329 HydrophobicContact CD1-CD1 3.91Å; F312-F329 HydrophobicContact CD2-CB 3.87Å; F312-F329 HydrophobicContact CD2-CD1 4.48Å; F312-F329 HydrophobicContact CD2-CG 4.48Å; F312-F329 HydrophobicContact CE2-CB 4.35Å; F312-F329 HydrophobicContact CG-CB 3.98Å; F312-F329 AromaticContact CG-CD1 3.73Å; F312-F329 HydrophobicContact CG-CD1 3.73Å; F312-F329 HydrophobicContact CG-CG 4.13Å; F312-Q330 VanDerWaalsContact CE2-O 3.25Å; F312-Q330 WeakPolarHBondContact CE2-O 3.31Å; F312-Q330 VanDerWaalsContact CZ-O 3.23Å; F312-Q330 WeakPolarHBondContact CZ-O 3.15Å; F312-F331 HydrophobicContact CD2-CD1 4.43Å; F312-F331 HydrophobicContact CD2-CD2 4.33Å; F312-F331 AromaticContact CD2-CE1 3.87Å; F312-F331 HydrophobicContact CD2-CE1 3.87Å; F312-F331 AromaticContact CD2-CE2 3.75Å; F312-F331 HydrophobicContact CD2-CE2 3.75Å; F312-F331 AromaticContact CD2-CZ 3.51Å; F312-F331 HydrophobicContact CD2-CZ 3.51Å; F312-F331 HydrophobicContact CE2-CD1 4.03Å; F312-F331 HydrophobicContact CE2-CD2 4.18Å; F312-F331 AromaticContact CE2-CE1 3.91Å; F312-F331 HydrophobicContact CE2-CE1 3.91Å; F312-F331 HydrophobicContact CE2-CE2 4.07Å; F312-F331 HydrophobicContact CE2-CG 4.17Å; F312-F331 AromaticContact CE2-CZ 3.94Å; F312-F331 HydrophobicContact CE2-CZ 3.94Å |
| 313 | Q | 97.3 | Very high | 92 | Very high | 95 Ų | 95 | 77.3 Ų | 77.3 | 44% | 0.444 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 139.9 | 178.7 | -161.3 | -177.8 | -76.8 | 0 | 0 | 109.9 | Y299 V300 K301 F329 | Y299-Q313 VanDerWaalsContact CD2-CD 3.48Å; Y299-Q313 HydrophobicContact CD2-CG 3.49Å; Y299-Q313 VanDerWaalsContact CD2-CG 3.49Å; Y299-Q313 HydrophobicContact CE2-CG 3.79Å; V300-Q313 CarbonylContact O-C 3.48Å; V300-Q313 VanDerWaalsContact O-CA 3.3Å; V300-Q313 WeakPolarHBondContact O-CA 3.49Å; K301-Q313 HydrophobicContact CG-CG 4.14Å; Q313-F329 WeakPolarHBondContact O-CE1 3.1Å |
| 314 | T | 98.6 | Very high | 92.2 | Very high | 6 Ų | 6 | 79.2 Ų | 79.2 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 168.9 | 167.8 | 67.4 | 0 | 0 | 0 | 0 | 111.3 | I281 Y299 V300 F325 E327 F329 | I281-T314 HydrophobicContact CB-CG2 4.41Å; I281-T314 HydrophobicContact CG1-CG2 4.37Å; Y299-T314 WeakPolarHBondContact CA-OG1 3.29Å; V300-T314 HydrophobicContact CB-CG2 3.95Å; V300-T314 HydrophobicContact CG2-CG2 4.36Å; V300-T314 PolarHBondContact N-OG1 3.18Å; V300-T314 PolarHBondContact O-N 3.35Å; T314-F325 HydrophobicContact CG2-CB 4.39Å; T314-F325 HydrophobicContact CG2-CD1 3.95Å; T314-F325 HydrophobicContact CG2-CE1 4.47Å; T314-F325 HydrophobicContact CG2-CG 4.18Å; T314-E327 WeakPolarHBondContact CA-OE1 3.29Å; T314-E327 WeakPolarHBondContact CB-OE1 3.37Å; T314-F329 HydrophobicContact CG2-CE2 4.1Å; T314-F329 HydrophobicContact CG2-CZ 4.04Å |
| 315 | K | 98.1 | Very high | 92.5 | Very high | 141 Ų | 141 | 79.5 Ų | 79.5 | 61% | 0.613 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 158.7 | 159.9 | -68.6 | 163.4 | -168.9 | 163.1 | 0 | 110.8 | Y299 E327 | Y299-K315 WeakPolarHBondContact CB-O 3.5Å; K315-E327 VanDerWaalsContact CD-OE2 3.31Å; K315-E327 WeakPolarHBondContact CD-OE2 3.36Å; K315-E327 WeakPolarHBondContact CE-OE2 3.38Å; K315-E327 WeakPolarHBondContact CG-OE2 3.25Å; K315-E327 PolarHBondContact N-OE1 3.47Å; K315-E327 IonicContact NZ-OE2 3.34Å |
| 316 | V | 98.2 | Very high | 93 | Very high | 49 Ų | 49 | 82.1 Ų | 82.1 | 30% | 0.297 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 124 | 170.8 | 173.7 | 0 | 0 | 0 | 0 | 108.6 | D297 Y299 R318 F350 | D297-V316 HydrophobicContact CB-CG1 3.95Å; D297-V316 WeakPolarHBondContact O-CG1 3.31Å; Y299-V316 HydrophobicContact CD1-CG2 4.11Å; Y299-V316 HydrophobicContact CG-CG2 4.17Å; V316-R318 HydrophobicContact CG1-CG 4.44Å; V316-F350 HydrophobicContact CB-CB 4.36Å; V316-F350 HydrophobicContact CB-CG 4.4Å; V316-F350 HydrophobicContact CG1-CB 3.6Å; V316-F350 HydrophobicContact CG1-CD1 3.9Å; V316-F350 HydrophobicContact CG1-CG 3.82Å; V316-F350 HydrophobicContact CG2-CB 3.78Å; V316-F350 HydrophobicContact CG2-CD1 4.35Å; V316-F350 HydrophobicContact CG2-CD2 3.83Å; V316-F350 HydrophobicContact CG2-CG 3.69Å |
| 317 | H | 97.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 79 Ų | 79 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -102.7 | 116.7 | 173.4 | -75.2 | -103.9 | 0 | 0 | 0 | 108.8 | D297 P298 T320 P323 V324 F325 | D297-H317 CarbonylContact C-O 3.57Å; D297-H317 VanDerWaalsContact C-O 3.26Å; D297-H317 VanDerWaalsContact CA-O 3.25Å; D297-H317 WeakPolarHBondContact CA-O 3.48Å; P298-H317 WeakPolarHBondContact CD-O 3.01Å; P298-H317 PolarHBondContact O-N 2.83Å; H317-T320 HydrophobicContact CB-CG2 3.84Å; H317-P323 HydrophobicContact CB-CB 3.85Å; H317-V324 PolarHBondContact CE1-O 2.93Å; H317-F325 AromaticContact CD2-CD1 3.36Å; H317-F325 WeakPolarHBondContact CD2-CD1 3.49Å; H317-F325 AromaticContact CD2-CE1 3.58Å; H317-F325 AromaticContact NE2-CD1 3.54Å |
| 318 | R | 96.9 | Very high | 94.6 | Very high | 158 Ų | 158 | 80 Ų | 80 | 60% | 0.596 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -81 | 144.2 | -170.4 | -49.9 | -157.4 | 79.6 | 140.4 | 12.8 | 113.3 | D297 V316 T320 | D297-R318 WeakPolarHBondContact OD1-CA 3.43Å; D297-R318 WeakPolarHBondContact OD1-CB 3.16Å; D297-R318 IonicContact OD1-NE 2.66Å; D297-R318 IonicContact OD2-CZ 3.37Å; D297-R318 IonicContact OD2-NE 3.18Å; D297-R318 PolarHBondContact OD2-NE 3.43Å; D297-R318 IonicContact OD2-NH2 2.62Å; D297-R318 PolarHBondContact OD2-NH2 2.78Å; V316-R318 HydrophobicContact CG1-CG 4.44Å; R318-T320 PolarHBondContact O-N 3.31Å |
| 319 | K | 95.9 | Very high | 95.4 | Very high | 129 Ų | 129 | 74.5 Ų | 74.5 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 46.2 | 54.5 | 172.7 | -60.9 | -173.2 | 175.5 | -173.2 | 0 | 113.5 | F295 S296 D297 | F295-K319 HydrophobicContact CB-CB 4.22Å; F295-K319 WeakPolarHBondContact CD1-O 3.18Å; F295-K319 HydrophobicContact CG-CB 4.3Å; S296-K319 CarbonylContact O-C 3.35Å; S296-K319 VanDerWaalsContact O-CA 3.27Å; S296-K319 WeakPolarHBondContact O-CA 3.26Å; S296-K319 PolarHBondContact O-N 3.49Å; D297-K319 PolarHBondContact OD1-N 2.77Å |
| 320 | T | 97.6 | Very high | 96.5 | Very high | 36 Ų | 36 | 70 Ų | 70 | 22% | 0.221 | 33% | 0.334 | C | S | . | . | trans | -146.8 | 133.2 | 178.9 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | S296 P298 H317 R318 N322 P323 | S296-T320 PolarHBondContact O-N 3.1Å; P298-T320 WeakPolarHBondContact CD-O 3.26Å; P298-T320 HydrophobicContact CG-CG2 4.23Å; P298-T320 WeakPolarHBondContact CG-O 2.98Å; H317-T320 HydrophobicContact CB-CG2 3.84Å; R318-T320 PolarHBondContact O-N 3.31Å; T320-N322 VanDerWaalsContact C-N 3.31Å; T320-N322 PolarHBondContact OG1-N 2.88Å; T320-N322 PolarHBondContact OG1-O 2.66Å; T320-P323 HydrophobicContact CG2-CB 3.95Å | ||
| 321 | L | 97.6 | Very high | 97.1 | Very high | 41 Ų | 41 | 65.6 Ų | 65.6 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -90 | -1.1 | 170.3 | -55.8 | -176.1 | 0 | 0 | 0 | 112.3 | D286 L287 A289 | D286-L321 PolarHBondContact N-O 2.85Å; L287-L321 HydrophobicContact CB-CB 4.43Å; L287-L321 WeakPolarHBondContact CB-O 3.16Å; L287-L321 WeakPolarHBondContact CG-O 3.32Å; L287-L321 PolarHBondContact N-O 3.18Å; L287-L321 WeakPolarHBondContact O-CB 3.1Å; L287-L321 WeakPolarHBondContact O-CD1 3.24Å; L287-L321 WeakPolarHBondContact O-CD2 3.49Å; A289-L321 HydrophobicContact CB-CD1 4.43Å; A289-L321 HydrophobicContact CB-CD2 4.21Å |
| 322 | N | 98 | Very high | 97.3 | Very high | 70 Ų | 70 | 62 Ų | 62 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -135.3 | 58.7 | -175.8 | -66.2 | -83.3 | 0 | 0 | 0 | 110.9 | A284 L285 D286 T320 | A284-N322 CarbonylContact O-C 3.57Å; A284-N322 WeakPolarHBondContact O-CA 3.5Å; L285-N322 VanDerWaalsContact CA-OD1 3.23Å; L285-N322 WeakPolarHBondContact CA-OD1 3.36Å; L285-N322 HydrophobicContact CD2-CB 4.16Å; L285-N322 VanDerWaalsContact CD2-OD1 3.22Å; L285-N322 WeakPolarHBondContact CD2-OD1 3.36Å; D286-N322 PolarHBondContact N-OD1 2.85Å; T320-N322 VanDerWaalsContact C-N 3.31Å; T320-N322 PolarHBondContact OG1-N 2.88Å; T320-N322 PolarHBondContact OG1-O 2.66Å |
| 323 | P | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | trans | -68.4 | 141.7 | -174.7 | 29.7 | -37.8 | 0 | 0 | 0 | 112.6 | K283 A284 L287 P298 H317 T320 F325 | K283-P323 CarbonylContact C-O 3.54Å; K283-P323 WeakPolarHBondContact CA-O 3.43Å; K283-P323 WeakPolarHBondContact CB-O 3.46Å; A284-P323 HydrophobicContact CB-CG 3.94Å; A284-P323 PolarHBondContact N-O 2.91Å; L287-P323 HydrophobicContact CD1-CG 3.86Å; P298-P323 HydrophobicContact CB-CG 4.17Å; P298-P323 HydrophobicContact CG-CB 3.81Å; P298-P323 HydrophobicContact CG-CG 3.58Å; H317-P323 HydrophobicContact CB-CB 3.85Å; T320-P323 HydrophobicContact CG2-CB 3.95Å; P323-F325 HydrophobicContact CB-CE1 3.98Å; P323-F325 HydrophobicContact CB-CE2 3.87Å; P323-F325 HydrophobicContact CB-CZ 3.58Å; P323-F325 HydrophobicContact CG-CE1 4.32Å; P323-F325 HydrophobicContact CG-CE2 3.58Å; P323-F325 HydrophobicContact CG-CZ 3.43Å; P323-F325 VanDerWaalsContact CG-CZ 3.43Å | ||
| 324 | V | 98.4 | Very high | 96.8 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | trans | -117 | 94.3 | 176.9 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | L282 K283 H317 N326 | L282-V324 CarbonylContact O-C 3.51Å; K283-V324 HydrophobicContact CB-CB 4.37Å; K283-V324 HydrophobicContact CB-CG1 4.49Å; K283-V324 HydrophobicContact CB-CG2 4.03Å; K283-V324 HydrophobicContact CD-CG2 4.48Å; H317-V324 PolarHBondContact CE1-O 2.93Å; V324-N326 WeakPolarHBondContact CG1-ND2 3.37Å | ||
| 325 | F | 98.2 | Very high | 96.5 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 6% | 0.057 | 31% | 0.307 | C | S | . | . | trans | -76.8 | -54.5 | -174.1 | -54 | -78.8 | 0 | 0 | 0 | 112.6 | I281 L282 A284 V300 T314 H317 P323 E327 | I281-F325 HydrophobicContact CB-CB 4.47Å; I281-F325 HydrophobicContact CG2-CB 4.16Å; I281-F325 HydrophobicContact CG2-CD2 3.58Å; I281-F325 HydrophobicContact CG2-CE2 4.26Å; I281-F325 HydrophobicContact CG2-CG 4.08Å; L282-F325 PolarHBondContact O-N 2.71Å; A284-F325 HydrophobicContact CB-CE2 4.39Å; V300-F325 HydrophobicContact CG2-CE1 4.33Å; V300-F325 HydrophobicContact CG2-CE2 3.89Å; V300-F325 HydrophobicContact CG2-CZ 3.74Å; T314-F325 HydrophobicContact CG2-CB 4.39Å; T314-F325 HydrophobicContact CG2-CD1 3.95Å; T314-F325 HydrophobicContact CG2-CE1 4.47Å; T314-F325 HydrophobicContact CG2-CG 4.18Å; H317-F325 AromaticContact CD2-CD1 3.36Å; H317-F325 WeakPolarHBondContact CD2-CD1 3.49Å; H317-F325 AromaticContact CD2-CE1 3.58Å; H317-F325 AromaticContact NE2-CD1 3.54Å; P323-F325 HydrophobicContact CB-CE1 3.98Å; P323-F325 HydrophobicContact CB-CE2 3.87Å; P323-F325 HydrophobicContact CB-CZ 3.58Å; P323-F325 HydrophobicContact CG-CE1 4.32Å; P323-F325 HydrophobicContact CG-CE2 3.58Å; P323-F325 HydrophobicContact CG-CZ 3.43Å; P323-F325 VanDerWaalsContact CG-CZ 3.43Å; F325-E327 PolarHBondContact O-N 3.37Å | ||
| 326 | N | 97.5 | Very high | 96.1 | Very high | 85 Ų | 85 | 58.6 Ų | 58.6 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | trans | 54.6 | 18.8 | -171.1 | -75.9 | -51.1 | 0 | 0 | 0 | 116.5 | K280 I281 L282 V324 | K280-N326 VanDerWaalsContact CE-O 3.29Å; K280-N326 WeakPolarHBondContact CE-O 3.42Å; I281-N326 CarbonylContact O-C 3.56Å; I281-N326 WeakPolarHBondContact O-CA 3.44Å; I281-N326 PolarHBondContact O-N 3.15Å; L282-N326 PolarHBondContact O-N 2.68Å; V324-N326 WeakPolarHBondContact CG1-ND2 3.37Å | ||
| 327 | E | 98.4 | Very high | 95.8 | Very high | 36 Ų | 36 | 59.7 Ų | 59.7 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 144.6 | -176 | -64.5 | -173.1 | -75.6 | 0 | 0 | 112.9 | K280 I281 T314 K315 F325 F329 | K280-E327 CarbonylContact C-O 3.57Å; K280-E327 VanDerWaalsContact CA-O 3.31Å; K280-E327 WeakPolarHBondContact CA-O 3.2Å; I281-E327 PolarHBondContact N-O 3.04Å; I281-E327 PolarHBondContact O-N 3.27Å; I281-E327 VanDerWaalsContact O-N 3.11Å; T314-E327 WeakPolarHBondContact CA-OE1 3.29Å; T314-E327 WeakPolarHBondContact CB-OE1 3.37Å; K315-E327 VanDerWaalsContact CD-OE2 3.31Å; K315-E327 WeakPolarHBondContact CD-OE2 3.36Å; K315-E327 WeakPolarHBondContact CE-OE2 3.38Å; K315-E327 WeakPolarHBondContact CG-OE2 3.25Å; K315-E327 PolarHBondContact N-OE1 3.47Å; K315-E327 IonicContact NZ-OE2 3.34Å; F325-E327 PolarHBondContact O-N 3.37Å; E327-F329 HydrophobicContact CB-CE2 3.75Å; E327-F329 HydrophobicContact CB-CZ 3.63Å |
| 328 | T | 97.4 | Very high | 95.4 | Very high | 75 Ų | 75 | 57.3 Ų | 57.3 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.1 | -174.8 | -50.8 | 0 | 0 | 0 | 0 | 111.2 | V278 V279 K280 | V278-T328 HydrophobicContact CG1-CG2 3.61Å; V279-T328 CarbonylContact O-C 3.51Å; V279-T328 WeakPolarHBondContact O-CA 3.1Å; K280-T328 HydrophobicContact CB-CG2 4.26Å; K280-T328 WeakPolarHBondContact CG-OG1 3.44Å |
| 329 | F | 97.3 | Very high | 94.9 | Very high | 23 Ų | 23 | 56 Ų | 56 | 10% | 0.101 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 156.6 | -174.4 | -51.7 | -80.6 | 0 | 0 | 0 | 110.4 | V279 I281 I302 F312 Q313 T314 E327 | V279-F329 PolarHBondContact N-O 3.19Å; V279-F329 PolarHBondContact O-N 3.01Å; I281-F329 HydrophobicContact CG1-CD2 4.4Å; I281-F329 HydrophobicContact CG1-CE2 4.08Å; I302-F329 HydrophobicContact CD1-CD2 3.33Å; I302-F329 HydrophobicContact CD1-CE2 3.5Å; I302-F329 VanDerWaalsContact CD1-CE2 3.5Å; I302-F329 HydrophobicContact CD1-CG 4Å; I302-F329 HydrophobicContact CD1-CZ 4.28Å; F312-F329 HydrophobicContact CB-CB 4.24Å; F312-F329 HydrophobicContact CB-CD1 3.51Å; F312-F329 HydrophobicContact CB-CE1 4.03Å; F312-F329 HydrophobicContact CB-CG 3.93Å; F312-F329 AromaticContact CD1-CD1 3.91Å; F312-F329 HydrophobicContact CD1-CD1 3.91Å; F312-F329 HydrophobicContact CD2-CB 3.87Å; F312-F329 HydrophobicContact CD2-CD1 4.48Å; F312-F329 HydrophobicContact CD2-CG 4.48Å; F312-F329 HydrophobicContact CE2-CB 4.35Å; F312-F329 HydrophobicContact CG-CB 3.98Å; F312-F329 AromaticContact CG-CD1 3.73Å; F312-F329 HydrophobicContact CG-CD1 3.73Å; F312-F329 HydrophobicContact CG-CG 4.13Å; Q313-F329 WeakPolarHBondContact O-CE1 3.1Å; T314-F329 HydrophobicContact CG2-CE2 4.1Å; T314-F329 HydrophobicContact CG2-CZ 4.04Å; E327-F329 HydrophobicContact CB-CE2 3.75Å; E327-F329 HydrophobicContact CB-CZ 3.63Å |
| 330 | Q | 95.8 | Very high | 94.5 | Very high | 105 Ų | 105 | 53.1 Ų | 53.1 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 118.4 | -173.3 | -65.9 | 176.3 | -8.6 | 0 | 0 | 111 | V278 F312 | V278-Q330 HydrophobicContact CG2-CG 4.45Å; F312-Q330 VanDerWaalsContact CE2-O 3.25Å; F312-Q330 WeakPolarHBondContact CE2-O 3.31Å; F312-Q330 VanDerWaalsContact CZ-O 3.23Å; F312-Q330 WeakPolarHBondContact CZ-O 3.15Å |
| 331 | F | 94.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 112.8 | 169.5 | -66.3 | -91.5 | 0 | 0 | 0 | 109 | Q276 L277 V279 I302 L304 K310 F312 V333 L343 | Q276-F331 CarbonylContact C-O 3.53Å; Q276-F331 VanDerWaalsContact CA-O 3.28Å; Q276-F331 WeakPolarHBondContact CA-O 3.29Å; L277-F331 HydrophobicContact CB-CB 4.43Å; L277-F331 PolarHBondContact N-O 3.43Å; L277-F331 PolarHBondContact O-N 2.94Å; V279-F331 HydrophobicContact CG2-CD2 4.21Å; V279-F331 HydrophobicContact CG2-CE2 4.33Å; I302-F331 HydrophobicContact CG2-CE2 3.78Å; I302-F331 HydrophobicContact CG2-CZ 3.87Å; L304-F331 HydrophobicContact CB-CD1 3.58Å; L304-F331 HydrophobicContact CB-CE1 3.69Å; L304-F331 HydrophobicContact CB-CG 4.04Å; L304-F331 HydrophobicContact CB-CZ 4.22Å; L304-F331 HydrophobicContact CD2-CB 3.75Å; L304-F331 HydrophobicContact CD2-CD1 4.16Å; L304-F331 HydrophobicContact CD2-CG 4.05Å; K310-F331 HydrophobicContact CD-CD1 4.49Å; F312-F331 HydrophobicContact CD2-CD1 4.43Å; F312-F331 HydrophobicContact CD2-CD2 4.33Å; F312-F331 AromaticContact CD2-CE1 3.87Å; F312-F331 HydrophobicContact CD2-CE1 3.87Å; F312-F331 AromaticContact CD2-CE2 3.75Å; F312-F331 HydrophobicContact CD2-CE2 3.75Å; F312-F331 AromaticContact CD2-CZ 3.51Å; F312-F331 HydrophobicContact CD2-CZ 3.51Å; F312-F331 HydrophobicContact CE2-CD1 4.03Å; F312-F331 HydrophobicContact CE2-CD2 4.18Å; F312-F331 AromaticContact CE2-CE1 3.91Å; F312-F331 HydrophobicContact CE2-CE1 3.91Å; F312-F331 HydrophobicContact CE2-CE2 4.07Å; F312-F331 HydrophobicContact CE2-CG 4.17Å; F312-F331 AromaticContact CE2-CZ 3.94Å; F312-F331 HydrophobicContact CE2-CZ 3.94Å; F331-V333 PolarHBondContact O-N 3.06Å; F331-L343 HydrophobicContact CD2-CD1 4.41Å; F331-L343 HydrophobicContact CE2-CD1 3.91Å; F331-L343 HydrophobicContact CZ-CD1 4.49Å |
| 332 | G | 93.9 | Very high | 93.8 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 50% | 0.495 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 121.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | E275 | E275-G332 WeakPolarHBondContact O-CA 3.48Å |
| 333 | V | 92.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | trans | -161.1 | 118.5 | -177.7 | 56.7 | 0 | 0 | 0 | 0 | 108.1 | Y270 E275 L277 L304 F331 E337 L338 R341 | Y270-V333 HydrophobicContact CE2-CG1 4.39Å; Y270-V333 WeakPolarHBondContact CE2-O 3.35Å; Y270-V333 PolarHBondContact OH-O 3.46Å; E275-V333 PolarHBondContact O-N 3.21Å; L277-V333 HydrophobicContact CB-CG1 3.81Å; L304-V333 HydrophobicContact CD2-CB 3.93Å; L304-V333 HydrophobicContact CD2-CG1 3.95Å; L304-V333 HydrophobicContact CD2-CG2 4.14Å; F331-V333 PolarHBondContact O-N 3.06Å; V333-E337 HydrophobicContact CG2-CB 4.1Å; V333-L338 HydrophobicContact CG1-CD1 4.24Å; V333-R341 HydrophobicContact CG2-CG 4.08Å | ||
| 334 | P | 92.6 | Very high | 93.5 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | trans | -58.5 | 148.1 | 177.7 | -29.3 | 38.4 | 0 | 0 | 0 | 113.3 | N336 E337 L338 | P334-N336 VanDerWaalsContact C-N 3.28Å; P334-N336 WeakPolarHBondContact CB-OD1 3.26Å; P334-N336 PolarHBondContact O-N 2.95Å; P334-E337 WeakPolarHBondContact O-CB 3.41Å; P334-E337 PolarHBondContact O-N 3.47Å; P334-L338 PolarHBondContact O-N 3.2Å | ||
| 335 | L | 90.9 | Very high | 93.4 | Very high | 63 Ų | 63 | 49.9 Ų | 49.9 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -36.4 | -173.6 | 180 | 64.6 | 0 | 0 | 0 | 112.2 | Y270 F272 E337 L338 L368 | Y270-L335 HydrophobicContact CD1-CD1 3.98Å; Y270-L335 HydrophobicContact CE1-CB 3.95Å; Y270-L335 HydrophobicContact CE1-CD1 3.81Å; Y270-L335 HydrophobicContact CE1-CG 4.35Å; Y270-L335 PolarHBondContact OH-N 3.33Å; F272-L335 HydrophobicContact CD1-CD2 4.04Å; F272-L335 HydrophobicContact CE1-CD1 4.05Å; F272-L335 HydrophobicContact CE1-CD2 3.8Å; L335-E337 VanDerWaalsContact C-N 3.29Å; L335-E337 PolarHBondContact O-N 3.31Å; L335-L338 HydrophobicContact CD1-CD2 4.29Å; L335-L338 WeakPolarHBondContact O-CB 3.42Å; L335-L338 PolarHBondContact O-N 3.02Å; L335-L368 HydrophobicContact CD1-CD2 3.7Å |
| 336 | N | 91.1 | Very high | 93.3 | Very high | 124 Ų | 124 | 49.5 Ų | 49.5 | 66% | 0.663 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -26.9 | 177.3 | 63.8 | -18.7 | 0 | 0 | 0 | 112.8 | P334 H339 | P334-N336 VanDerWaalsContact C-N 3.28Å; P334-N336 WeakPolarHBondContact CB-OD1 3.26Å; P334-N336 PolarHBondContact O-N 2.95Å; N336-H339 PolarHBondContact O-CE1 2.79Å; N336-H339 PolarHBondContact O-ND1 2.95Å |
| 337 | E | 90.6 | Very high | 93.2 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -27.1 | 172.9 | -72.8 | -168.5 | -146.7 | 0 | 0 | 113.1 | V333 P334 L335 H339 S340 R341 | V333-E337 HydrophobicContact CG2-CB 4.1Å; P334-E337 WeakPolarHBondContact O-CB 3.41Å; P334-E337 PolarHBondContact O-N 3.47Å; L335-E337 VanDerWaalsContact C-N 3.29Å; L335-E337 PolarHBondContact O-N 3.31Å; E337-H339 PolarHBondContact O-N 3.09Å; E337-S340 WeakPolarHBondContact O-CB 3.32Å; E337-S340 PolarHBondContact O-N 2.86Å; E337-S340 PolarHBondContact O-OG 3.23Å; E337-R341 IonicContact OE2-CZ 2.7Å; E337-R341 IonicContact OE2-NE 2.97Å; E337-R341 PolarHBondContact OE2-NE 3.17Å; E337-R341 IonicContact OE2-NH2 2.62Å; E337-R341 PolarHBondContact OE2-NH2 2.73Å |
| 338 | L | 89.8 | Confident | 93.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -57.8 | -29.8 | -164.3 | -171.5 | 59.7 | 0 | 0 | 0 | 114.1 | Y270 L277 V333 P334 L335 S340 R341 L367 L368 | Y270-L338 HydrophobicContact CD2-CD2 3.79Å; Y270-L338 HydrophobicContact CE2-CD2 4.23Å; Y270-L338 HydrophobicContact CG-CD2 4.29Å; L277-L338 HydrophobicContact CD2-CD1 4.34Å; V333-L338 HydrophobicContact CG1-CD1 4.24Å; P334-L338 PolarHBondContact O-N 3.2Å; L335-L338 HydrophobicContact CD1-CD2 4.29Å; L335-L338 WeakPolarHBondContact O-CB 3.42Å; L335-L338 PolarHBondContact O-N 3.02Å; L338-S340 PolarHBondContact O-N 2.91Å; L338-R341 PolarHBondContact O-N 2.91Å; L338-L367 HydrophobicContact CD1-CB 3.65Å; L338-L367 HydrophobicContact CD1-CD1 3.92Å; L338-L367 HydrophobicContact CD1-CG 4.46Å; L338-L367 HydrophobicContact CD2-CB 4.44Å; L338-L367 HydrophobicContact CG-CB 3.86Å; L338-L368 HydrophobicContact CB-CD2 4.3Å; L338-L368 HydrophobicContact CD2-CD2 4.07Å; L338-L368 HydrophobicContact CG-CD2 4.44Å; L338-L368 HydrophobicContact CG-CG 4.49Å |
| 339 | H | 86.1 | Confident | 93 | Very high | 131 Ų | 131 | 42.5 Ų | 42.5 | 61% | 0.606 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -61.8 | -28 | 174.4 | 78.5 | -85.1 | 0 | 0 | 0 | 113.9 | N336 E337 L368 | N336-H339 PolarHBondContact O-CE1 2.79Å; N336-H339 PolarHBondContact O-ND1 2.95Å; E337-H339 PolarHBondContact O-N 3.09Å; H339-L368 HydrophobicContact CB-CD1 3.72Å |
| 340 | S | 87.9 | Confident | 92.8 | Very high | 68 Ų | 68 | 44.2 Ų | 44.2 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -90.8 | -10.5 | -177 | 72.5 | 0 | 0 | 0 | 0 | 113.4 | E337 L338 | E337-S340 WeakPolarHBondContact O-CB 3.32Å; E337-S340 PolarHBondContact O-N 2.86Å; E337-S340 PolarHBondContact O-OG 3.23Å; L338-S340 PolarHBondContact O-N 2.91Å |
| 341 | R | 89.6 | Confident | 92.2 | Very high | 53 Ų | 53 | 41 Ų | 41 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | trans | -95.3 | 150.7 | -173.3 | -58.5 | -57.7 | -165.8 | 132.5 | -4.4 | 111.3 | L304 L305 V333 E337 L338 L367 | L304-R341 HydrophobicContact CD1-CB 3.86Å; L304-R341 HydrophobicContact CG-CB 4.18Å; L304-R341 HydrophobicContact CG-CG 4.42Å; L305-R341 WeakPolarHBondContact O-CA 3.38Å; L305-R341 WeakPolarHBondContact O-CD 3.28Å; V333-R341 HydrophobicContact CG2-CG 4.08Å; E337-R341 IonicContact OE2-CZ 2.7Å; E337-R341 IonicContact OE2-NE 2.97Å; E337-R341 PolarHBondContact OE2-NE 3.17Å; E337-R341 IonicContact OE2-NH2 2.62Å; E337-R341 PolarHBondContact OE2-NH2 2.73Å; L338-R341 PolarHBondContact O-N 2.91Å; R341-L367 HydrophobicContact CB-CD1 4.13Å | ||
| 342 | K | 92 | Very high | 91.6 | Very high | 89 Ų | 89 | 49.7 Ų | 49.7 | 39% | 0.387 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.5 | 170.2 | -58.2 | -165.2 | 176.3 | -146.4 | 0 | 110.1 | L304 L305 V363 V364 D365 | L304-K342 CarbonylContact C-O 3.45Å; L305-K342 HydrophobicContact CB-CB 4.33Å; L305-K342 WeakPolarHBondContact CB-O 3.36Å; L305-K342 PolarHBondContact N-O 2.93Å; L305-K342 PolarHBondContact O-N 3.37Å; L305-K342 VanDerWaalsContact O-N 3.16Å; K342-V363 HydrophobicContact CB-CG1 4.09Å; K342-V363 HydrophobicContact CD-CG1 4.06Å; K342-V364 CarbonylContact C-O 3.58Å; K342-V364 WeakPolarHBondContact CA-O 3.25Å; K342-D365 HydrophobicContact CD-CB 3.85Å; K342-D365 HydrophobicContact CG-CB 3.95Å; K342-D365 IonicContact NZ-OD2 2.69Å; K342-D365 PolarHBondContact NZ-OD2 2.8Å |
| 343 | L | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 128.1 | 175.6 | -171.4 | 71.5 | 0 | 0 | 0 | 108.7 | L268 L277 V279 I302 L304 F331 F345 V364 L367 | L268-L343 HydrophobicContact CD1-CD2 4.41Å; L268-L343 HydrophobicContact CD2-CD2 3.4Å; L268-L343 VanDerWaalsContact CD2-CD2 3.4Å; L277-L343 HydrophobicContact CD2-CD1 4.43Å; V279-L343 HydrophobicContact CG1-CD2 3.97Å; V279-L343 HydrophobicContact CG2-CD1 4Å; V279-L343 HydrophobicContact CG2-CD2 3.77Å; I302-L343 HydrophobicContact CG2-CD1 3.88Å; L304-L343 HydrophobicContact CD1-CD1 4.32Å; F331-L343 HydrophobicContact CD2-CD1 4.41Å; F331-L343 HydrophobicContact CE2-CD1 3.91Å; F331-L343 HydrophobicContact CZ-CD1 4.49Å; L343-F345 HydrophobicContact CD1-CE1 4.47Å; L343-F345 HydrophobicContact CD2-CE1 3.65Å; L343-F345 HydrophobicContact CD2-CE2 4.45Å; L343-F345 HydrophobicContact CD2-CZ 3.47Å; L343-F345 VanDerWaalsContact CD2-CZ 3.47Å; L343-F345 HydrophobicContact CG-CE1 3.83Å; L343-F345 HydrophobicContact CG-CZ 4.06Å; L343-V364 HydrophobicContact CB-CB 4.38Å; L343-V364 PolarHBondContact N-O 2.74Å; L343-V364 PolarHBondContact O-N 3.37Å; L343-L367 HydrophobicContact CB-CD1 4.25Å; L343-L367 HydrophobicContact CB-CD2 3.91Å |
| 344 | H | 94.8 | Very high | 89.5 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 7% | 0.069 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 118.9 | -173.4 | -176.6 | -73.5 | 0 | 0 | 0 | 110.3 | I302 Y303 L305 S346 | I302-H344 WeakPolarHBondContact CA-O 3.44Å; Y303-H344 AromaticContact CD2-ND1 3.98Å; Y303-H344 PolarHBondContact N-O 3.48Å; Y303-H344 PolarHBondContact O-N 3.35Å; L305-H344 HydrophobicContact CD1-CB 3.77Å; L305-H344 HydrophobicContact CD2-CB 4.46Å; L305-H344 HydrophobicContact CG-CB 3.84Å; H344-S346 PolarHBondContact CE1-OG 2.92Å; H344-S346 PolarHBondContact ND1-OG 2.93Å |
| 345 | F | 96.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.8 | 172 | -52.2 | -44 | 0 | 0 | 0 | 109.9 | I264 F266 V279 I281 V300 K301 I302 L343 Q361 V362 V364 | I264-F345 HydrophobicContact CD1-CD2 4.43Å; I264-F345 HydrophobicContact CG2-CD2 4.36Å; F266-F345 HydrophobicContact CD1-CD2 4.5Å; F266-F345 AromaticContact CD1-CE2 3.66Å; F266-F345 HydrophobicContact CD1-CE2 3.66Å; F266-F345 HydrophobicContact CD1-CZ 4.37Å; F266-F345 AromaticContact CD2-CE2 3.99Å; F266-F345 HydrophobicContact CD2-CE2 3.99Å; F266-F345 HydrophobicContact CD2-CZ 4.04Å; F266-F345 HydrophobicContact CE1-CD2 4.47Å; F266-F345 AromaticContact CE1-CE2 3.72Å; F266-F345 HydrophobicContact CE1-CE2 3.72Å; F266-F345 HydrophobicContact CE2-CE2 4.03Å; F266-F345 HydrophobicContact CE2-CZ 4.33Å; F266-F345 AromaticContact CG-CE2 3.82Å; F266-F345 HydrophobicContact CG-CE2 3.82Å; F266-F345 HydrophobicContact CG-CZ 4.06Å; F266-F345 AromaticContact CZ-CE2 3.9Å; F266-F345 HydrophobicContact CZ-CE2 3.9Å; V279-F345 HydrophobicContact CG1-CE1 3.94Å; V279-F345 HydrophobicContact CG1-CZ 4.05Å; I281-F345 HydrophobicContact CD1-CD1 4.16Å; I281-F345 HydrophobicContact CD1-CE1 3.64Å; I281-F345 HydrophobicContact CD1-CE2 4.42Å; I281-F345 HydrophobicContact CD1-CZ 3.78Å; V300-F345 HydrophobicContact CG1-CB 4Å; K301-F345 WeakPolarHBondContact O-CA 3.49Å; I302-F345 HydrophobicContact CB-CD1 4.3Å; I302-F345 HydrophobicContact CG1-CD1 3.98Å; I302-F345 HydrophobicContact CG1-CE1 4.28Å; I302-F345 HydrophobicContact CG2-CD1 3.83Å; I302-F345 HydrophobicContact CG2-CE1 3.72Å; L343-F345 HydrophobicContact CD1-CE1 4.47Å; L343-F345 HydrophobicContact CD2-CE1 3.65Å; L343-F345 HydrophobicContact CD2-CE2 4.45Å; L343-F345 HydrophobicContact CD2-CZ 3.47Å; L343-F345 VanDerWaalsContact CD2-CZ 3.47Å; L343-F345 HydrophobicContact CG-CE1 3.83Å; L343-F345 HydrophobicContact CG-CZ 4.06Å; F345-Q361 WeakPolarHBondContact O-CA 3.17Å; F345-V362 HydrophobicContact CB-CB 4.29Å; F345-V362 HydrophobicContact CD2-CB 4.08Å; F345-V362 HydrophobicContact CD2-CG1 4.07Å; F345-V362 PolarHBondContact N-O 2.66Å; F345-V362 PolarHBondContact O-N 3.09Å; F345-V364 HydrophobicContact CE2-CG2 4.36Å |
| 346 | S | 94.9 | Very high | 88 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 114.7 | 167.9 | -50.9 | 0 | 0 | 0 | 0 | 108.4 | V300 K301 H344 Y348 | V300-S346 WeakPolarHBondContact CA-O 3.43Å; K301-S346 PolarHBondContact N-O 3.2Å; K301-S346 PolarHBondContact O-N 2.83Å; H344-S346 PolarHBondContact CE1-OG 2.92Å; H344-S346 PolarHBondContact ND1-OG 2.93Å; S346-Y348 VanDerWaalsContact CB-CE2 3.47Å |
| 347 | V | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 127.9 | 176.5 | -170.3 | 0 | 0 | 0 | 0 | 108 | I264 L287 V300 L358 I359 G360 I383 | I264-V347 HydrophobicContact CD1-CG2 4.33Å; L287-V347 HydrophobicContact CD1-CG1 4.31Å; L287-V347 HydrophobicContact CD2-CG1 4.38Å; V300-V347 HydrophobicContact CG1-CG2 4.48Å; V300-V347 HydrophobicContact CG2-CG2 4.26Å; V347-L358 WeakPolarHBondContact O-CD1 3.17Å; V347-I359 HydrophobicContact CB-CB 4.25Å; V347-I359 HydrophobicContact CB-CG2 4.39Å; V347-I359 HydrophobicContact CG1-CB 4.11Å; V347-I359 HydrophobicContact CG1-CD1 4.25Å; V347-I359 HydrophobicContact CG1-CG2 4.16Å; V347-I359 WeakPolarHBondContact O-CB 3.41Å; V347-I359 PolarHBondContact O-N 3.01Å; V347-G360 PolarHBondContact N-O 2.85Å; V347-G360 PolarHBondContact O-N 3.19Å; V347-I383 HydrophobicContact CG2-CD1 3.89Å; V347-I383 HydrophobicContact CG2-CG1 4.32Å |
| 348 | Y | 95.4 | Very high | 87.6 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 18% | 0.18 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.3 | -177.2 | -79.6 | -88.4 | 0 | 0 | 0 | 110.2 | P298 Y299 K301 S346 H356 D357 L358 | P298-Y348 CarbonylContact C-O 3.36Å; P298-Y348 VanDerWaalsContact CA-O 3.28Å; P298-Y348 WeakPolarHBondContact CA-O 3.17Å; Y299-Y348 HydrophobicContact CE1-CG 4.39Å; Y299-Y348 VanDerWaalsContact CZ-CB 3.41Å; Y299-Y348 AromaticContact CZ-CG 3.99Å; Y299-Y348 PolarHBondContact N-O 2.83Å; Y299-Y348 PolarHBondContact O-N 2.93Å; Y299-Y348 WeakPolarHBondContact OH-CB 3.38Å; K301-Y348 HydrophobicContact CD-CD2 3.87Å; K301-Y348 HydrophobicContact CD-CE2 3.59Å; K301-Y348 HydrophobicContact CG-CD2 4.15Å; K301-Y348 HydrophobicContact CG-CE2 4.24Å; K301-Y348 VanDerWaalsContact NZ-CZ 3.34Å; S346-Y348 VanDerWaalsContact CB-CE2 3.47Å; Y348-H356 HydrophobicContact CD1-CB 4.38Å; Y348-H356 WeakPolarHBondContact CD1-O 3.46Å; Y348-D357 CarbonylContact C-O 3.52Å; Y348-D357 VanDerWaalsContact CA-O 3.25Å; Y348-D357 WeakPolarHBondContact CA-O 3.31Å; Y348-D357 WeakPolarHBondContact CD1-O 3.25Å; Y348-L358 HydrophobicContact CD1-CB 4.34Å; Y348-L358 HydrophobicContact CD1-CD1 4.17Å; Y348-L358 HydrophobicContact CD2-CD1 4.26Å; Y348-L358 HydrophobicContact CE1-CB 4.05Å; Y348-L358 HydrophobicContact CE1-CD1 3.8Å; Y348-L358 HydrophobicContact CE2-CD1 3.91Å; Y348-L358 HydrophobicContact CG-CD1 4.38Å |
| 349 | D | 95.3 | Very high | 87.8 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | trans | -80.8 | 153.2 | 157.9 | -157.4 | -9.9 | 0 | 0 | 0 | 110.4 | K290 S296 D297 Y299 H356 D357 I359 | K290-D349 HydrophobicContact CB-CB 4.22Å; K290-D349 WeakPolarHBondContact CB-OD2 3.27Å; K290-D349 HydrophobicContact CG-CB 4.32Å; S296-D349 VanDerWaalsContact CA-OD2 3.3Å; S296-D349 WeakPolarHBondContact CA-OD2 3.22Å; S296-D349 VanDerWaalsContact CB-OD2 3.22Å; S296-D349 WeakPolarHBondContact CB-OD2 3.17Å; S296-D349 PolarHBondContact OG-OD2 3.39Å; D297-D349 VanDerWaalsContact CA-OD1 3.31Å; D297-D349 WeakPolarHBondContact CA-OD1 3.15Å; D297-D349 PolarHBondContact N-OD1 3.18Å; Y299-D349 WeakPolarHBondContact CE1-O 3.05Å; D349-H356 WeakPolarHBondContact O-CA 3.42Å; D349-H356 VanDerWaalsContact O-CB 3.25Å; D349-H356 WeakPolarHBondContact O-CB 3.15Å; D349-D357 HydrophobicContact CB-CB 4.29Å; D349-D357 PolarHBondContact N-O 2.93Å; D349-I359 HydrophobicContact CB-CD1 4.25Å; D349-I359 HydrophobicContact CB-CG1 4.5Å | ||
| 350 | F | 93.1 | Very high | 88.1 | Confident | 59 Ų | 59 | 47.2 Ų | 47.2 | 26% | 0.259 | 22% | 0.219 | S | C | . | . | trans | -106.2 | 103.9 | 177.5 | 176.1 | -96.6 | 0 | 0 | 0 | 112.4 | D297 Y299 V316 H356 | D297-F350 HydrophobicContact CB-CB 3.99Å; D297-F350 VanDerWaalsContact O-CB 3.29Å; D297-F350 WeakPolarHBondContact O-CB 3.11Å; D297-F350 PolarHBondContact O-N 2.96Å; Y299-F350 HydrophobicContact CD1-CB 3.94Å; Y299-F350 HydrophobicContact CE1-CB 4.09Å; V316-F350 HydrophobicContact CB-CB 4.36Å; V316-F350 HydrophobicContact CB-CG 4.4Å; V316-F350 HydrophobicContact CG1-CB 3.6Å; V316-F350 HydrophobicContact CG1-CD1 3.9Å; V316-F350 HydrophobicContact CG1-CG 3.82Å; V316-F350 HydrophobicContact CG2-CB 3.78Å; V316-F350 HydrophobicContact CG2-CD1 4.35Å; V316-F350 HydrophobicContact CG2-CD2 3.83Å; V316-F350 HydrophobicContact CG2-CG 3.69Å; F350-H356 AromaticContact CD2-CE1 3.38Å; F350-H356 WeakPolarHBondContact CD2-CE1 3.24Å; F350-H356 AromaticContact CD2-ND1 3.93Å; F350-H356 AromaticContact CD2-NE2 3.58Å; F350-H356 AromaticContact CE2-CE1 3.52Å; F350-H356 AromaticContact CE2-NE2 3.48Å; F350-H356 WeakPolarHBondContact CE2-NE2 3.35Å | ||
| 351 | D | 83.3 | Confident | 88.4 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | trans | -87.4 | 139 | 171.4 | -72.4 | -97.7 | 0 | 0 | 0 | 112.4 | S354 R355 H356 D357 | D351-S354 VanDerWaalsContact CB-O 3.26Å; D351-S354 WeakPolarHBondContact CB-O 3.4Å; D351-S354 WeakPolarHBondContact CB-OG 3.42Å; D351-S354 PolarHBondContact OD1-OG 2.85Å; D351-R355 VanDerWaalsContact OD2-O 3.1Å; D351-H356 PolarHBondContact O-CD2 2.85Å; D351-H356 PolarHBondContact O-NE2 2.92Å; D351-H356 WeakPolarHBondContact OD2-CA 3.49Å; D351-D357 PolarHBondContact OD2-N 2.85Å | ||
| 352 | R | 82.5 | Confident | 88.6 | Confident | 184 Ų | 184 | 43.5 Ų | 43.5 | 69% | 0.694 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -86.9 | -27 | 174.4 | -175.7 | 175 | 176.6 | -169.2 | -1.3 | 113.6 | ||
| 353 | F | 72.8 | Confident | 88.6 | Confident | 135 Ų | 135 | 42.8 Ų | 42.8 | 59% | 0.592 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -135.9 | 14.8 | -167 | -56 | -65.3 | 0 | 0 | 0 | 113.2 | ||
| 354 | S | 68.9 | Low | 88.5 | Confident | 52 Ų | 52 | 42.9 Ų | 42.9 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -153.1 | 173.4 | -171.9 | 24.5 | 0 | 0 | 0 | 0 | 108.9 | D351 H356 | D351-S354 VanDerWaalsContact CB-O 3.26Å; D351-S354 WeakPolarHBondContact CB-O 3.4Å; D351-S354 WeakPolarHBondContact CB-OG 3.42Å; D351-S354 PolarHBondContact OD1-OG 2.85Å; S354-H356 PolarHBondContact O-N 3.18Å |
| 355 | R | 68.6 | Low | 88.2 | Confident | 88 Ų | 88 | 45.5 Ų | 45.5 | 33% | 0.332 | 22% | 0.215 | S | C | . | . | trans | -64.6 | 127.4 | 170.3 | -86.4 | -73.9 | -176.2 | 78.1 | 105.9 | 112.7 | D351 D357 A421 M422 E491 | D351-R355 VanDerWaalsContact OD2-O 3.1Å; R355-D357 PolarHBondContact O-N 2.97Å; R355-D357 VanDerWaalsContact O-N 3.07Å; R355-A421 PolarHBondContact NH1-O 2.94Å; R355-A421 PolarHBondContact NH2-O 3.25Å; R355-M422 PolarHBondContact NE-O 3.36Å; R355-M422 PolarHBondContact NH2-O 3.01Å; R355-M422 PolarHBondContact NH2-SD 2.86Å; R355-E491 VanDerWaalsContact CG-OE2 3.29Å; R355-E491 WeakPolarHBondContact CG-OE2 3.48Å; R355-E491 PolarHBondContact N-OE1 3.33Å | ||
| 356 | H | 84 | Confident | 87.7 | Confident | 49 Ų | 49 | 49.9 Ų | 49.9 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | trans | -54.4 | 110 | 170.6 | -65.1 | -167.9 | 0 | 0 | 0 | 110.7 | Y299 Y348 D349 F350 D351 S354 | Y299-H356 HydrophobicContact CE1-CB 4.44Å; Y299-H356 AromaticContact CE1-ND1 3.66Å; Y299-H356 AromaticContact CZ-ND1 3.49Å; Y299-H356 PolarHBondContact OH-ND1 2.91Å; Y348-H356 HydrophobicContact CD1-CB 4.38Å; Y348-H356 WeakPolarHBondContact CD1-O 3.46Å; D349-H356 WeakPolarHBondContact O-CA 3.42Å; D349-H356 VanDerWaalsContact O-CB 3.25Å; D349-H356 WeakPolarHBondContact O-CB 3.15Å; F350-H356 AromaticContact CD2-CE1 3.38Å; F350-H356 WeakPolarHBondContact CD2-CE1 3.24Å; F350-H356 AromaticContact CD2-ND1 3.93Å; F350-H356 AromaticContact CD2-NE2 3.58Å; F350-H356 AromaticContact CE2-CE1 3.52Å; F350-H356 AromaticContact CE2-NE2 3.48Å; F350-H356 WeakPolarHBondContact CE2-NE2 3.35Å; D351-H356 PolarHBondContact O-CD2 2.85Å; D351-H356 PolarHBondContact O-NE2 2.92Å; D351-H356 WeakPolarHBondContact OD2-CA 3.49Å; S354-H356 PolarHBondContact O-N 3.18Å | ||
| 357 | D | 84.8 | Confident | 87.3 | Confident | 75 Ų | 75 | 49.8 Ų | 49.8 | 40% | 0.401 | 24% | 0.238 | S | C | . | . | trans | -72.2 | 142.3 | -170.4 | -152.9 | 23.2 | 0 | 0 | 0 | 112.9 | K290 Y348 D349 D351 R355 I359 | K290-D357 HydrophobicContact CB-CB 4.4Å; K290-D357 WeakPolarHBondContact CD-OD2 3.18Å; K290-D357 HydrophobicContact CG-CB 4.45Å; K290-D357 IonicContact NZ-OD2 2.68Å; Y348-D357 CarbonylContact C-O 3.52Å; Y348-D357 VanDerWaalsContact CA-O 3.25Å; Y348-D357 WeakPolarHBondContact CA-O 3.31Å; Y348-D357 WeakPolarHBondContact CD1-O 3.25Å; D349-D357 HydrophobicContact CB-CB 4.29Å; D349-D357 PolarHBondContact N-O 2.93Å; D351-D357 PolarHBondContact OD2-N 2.85Å; R355-D357 PolarHBondContact O-N 2.97Å; R355-D357 VanDerWaalsContact O-N 3.07Å; D357-I359 PolarHBondContact O-N 2.87Å | ||
| 358 | L | 89 | Confident | 86.5 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 119 | 177.8 | -176.3 | 68.8 | 0 | 0 | 0 | 109.6 | K290 V347 Y348 Q361 | K290-L358 WeakPolarHBondContact CE-O 3.36Å; K290-L358 PolarHBondContact NZ-O 3.44Å; V347-L358 WeakPolarHBondContact O-CD1 3.17Å; Y348-L358 HydrophobicContact CD1-CB 4.34Å; Y348-L358 HydrophobicContact CD1-CD1 4.17Å; Y348-L358 HydrophobicContact CD2-CD1 4.26Å; Y348-L358 HydrophobicContact CE1-CB 4.05Å; Y348-L358 HydrophobicContact CE1-CD1 3.8Å; Y348-L358 HydrophobicContact CE2-CD1 3.91Å; Y348-L358 HydrophobicContact CG-CD1 4.38Å; L358-Q361 HydrophobicContact CD1-CG 4.38Å; L358-Q361 HydrophobicContact CD2-CG 4.49Å |
| 359 | I | 93.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -45.7 | 172.3 | -70.4 | 171 | 0 | 0 | 0 | 109.9 | C261 L287 P288 K290 P298 V347 D349 D357 | C261-I359 PolarHBondContact SG-O 3.42Å; C261-I359 VanDerWaalsContact SG-O 3.38Å; L287-I359 HydrophobicContact CD1-CD1 4.47Å; L287-I359 HydrophobicContact CD2-CG2 4.18Å; P288-I359 HydrophobicContact CG-CG2 3.81Å; K290-I359 HydrophobicContact CG-CG1 3.94Å; P298-I359 HydrophobicContact CB-CD1 4.29Å; V347-I359 HydrophobicContact CB-CB 4.25Å; V347-I359 HydrophobicContact CB-CG2 4.39Å; V347-I359 HydrophobicContact CG1-CB 4.11Å; V347-I359 HydrophobicContact CG1-CD1 4.25Å; V347-I359 HydrophobicContact CG1-CG2 4.16Å; V347-I359 WeakPolarHBondContact O-CB 3.41Å; V347-I359 PolarHBondContact O-N 3.01Å; D349-I359 HydrophobicContact CB-CD1 4.25Å; D349-I359 HydrophobicContact CB-CG1 4.5Å; D357-I359 PolarHBondContact O-N 2.87Å |
| 360 | G | 93.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.3 | -171.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V347 V384 | V347-G360 PolarHBondContact N-O 2.85Å; V347-G360 PolarHBondContact O-N 3.19Å; G360-V384 CarbonylContact C-O 3.5Å; G360-V384 VanDerWaalsContact CA-O 3.3Å; G360-V384 WeakPolarHBondContact CA-O 3.19Å |
| 361 | Q | 93.6 | Very high | 83.3 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.6 | -171.6 | -64.7 | -178.9 | -13 | 0 | 0 | 112.6 | F345 L358 V384 | F345-Q361 WeakPolarHBondContact O-CA 3.17Å; L358-Q361 HydrophobicContact CD1-CG 4.38Å; L358-Q361 HydrophobicContact CD2-CG 4.49Å; Q361-V384 PolarHBondContact N-O 3.39Å; Q361-V384 PolarHBondContact O-N 3.04Å |
| 362 | V | 94.1 | Very high | 82.3 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 129.4 | 171.7 | 173 | 0 | 0 | 0 | 0 | 108.8 | I264 F345 V364 R381 D382 I383 | I264-V362 HydrophobicContact CG2-CB 4.43Å; I264-V362 HydrophobicContact CG2-CG2 3.84Å; F345-V362 HydrophobicContact CB-CB 4.29Å; F345-V362 HydrophobicContact CD2-CB 4.08Å; F345-V362 HydrophobicContact CD2-CG1 4.07Å; F345-V362 PolarHBondContact N-O 2.66Å; F345-V362 PolarHBondContact O-N 3.09Å; V362-V364 HydrophobicContact CG1-CG2 4.14Å; V362-R381 HydrophobicContact CG1-CB 3.54Å; V362-R381 HydrophobicContact CG1-CG 3.84Å; V362-R381 HydrophobicContact CG2-CB 4.24Å; V362-D382 WeakPolarHBondContact CG2-O 3.29Å; V362-I383 HydrophobicContact CG2-CB 4.37Å; V362-I383 HydrophobicContact CG2-CG1 3.97Å |
| 363 | V | 92.6 | Very high | 81.1 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134 | 172.3 | -168.1 | 0 | 0 | 0 | 0 | 108.9 | K342 | K342-V363 HydrophobicContact CB-CG1 4.09Å; K342-V363 HydrophobicContact CD-CG1 4.06Å |
| 364 | V | 91.5 | Very high | 80.4 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 116.3 | 173.4 | -168.6 | 0 | 0 | 0 | 0 | 108 | F266 L268 K342 L343 F345 V362 L367 F370 | F266-V364 HydrophobicContact CE2-CG2 4.19Å; F266-V364 HydrophobicContact CZ-CG2 3.76Å; L268-V364 HydrophobicContact CD1-CG1 4.17Å; K342-V364 CarbonylContact C-O 3.58Å; K342-V364 WeakPolarHBondContact CA-O 3.25Å; L343-V364 HydrophobicContact CB-CB 4.38Å; L343-V364 PolarHBondContact N-O 2.74Å; L343-V364 PolarHBondContact O-N 3.37Å; F345-V364 HydrophobicContact CE2-CG2 4.36Å; V362-V364 HydrophobicContact CG1-CG2 4.14Å; V364-L367 HydrophobicContact CB-CD2 4.3Å; V364-L367 HydrophobicContact CG1-CD2 4.04Å; V364-F370 HydrophobicContact CG1-CE2 3.8Å; V364-F370 HydrophobicContact CG1-CZ 4.21Å |
| 365 | D | 89.3 | Confident | 80 | Confident | 70 Ų | 70 | 50 Ų | 50 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | trans | -100.6 | -170.9 | 169.6 | 46 | 11.7 | 0 | 0 | 0 | 111.5 | K342 L367 | K342-D365 HydrophobicContact CD-CB 3.85Å; K342-D365 HydrophobicContact CG-CB 3.95Å; K342-D365 IonicContact NZ-OD2 2.69Å; K342-D365 PolarHBondContact NZ-OD2 2.8Å; D365-L367 VanDerWaalsContact C-N 3.26Å; D365-L367 PolarHBondContact O-N 3.03Å | ||
| 366 | N | 84.4 | Confident | 80 | Confident | 93 Ų | 93 | 52 Ų | 52 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | trans | 48.1 | 47.5 | -179.4 | -55.7 | -13.7 | 0 | 0 | 0 | 112.4 | L368 D369 | N366-L368 PolarHBondContact O-N 3.33Å; N366-D369 WeakPolarHBondContact CB-OD2 3.14Å; N366-D369 WeakPolarHBondContact O-CB 3.49Å; N366-D369 PolarHBondContact O-N 2.95Å | ||
| 367 | L | 87 | Confident | 80 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -62.6 | -15.1 | -171.8 | -61.6 | 176.2 | 0 | 0 | 0 | 113.9 | L268 L277 L304 L338 R341 L343 V364 D365 | L268-L367 HydrophobicContact CD1-CD2 4.18Å; L277-L367 HydrophobicContact CD2-CD1 4.03Å; L304-L367 HydrophobicContact CD1-CD1 3.81Å; L338-L367 HydrophobicContact CD1-CB 3.65Å; L338-L367 HydrophobicContact CD1-CD1 3.92Å; L338-L367 HydrophobicContact CD1-CG 4.46Å; L338-L367 HydrophobicContact CD2-CB 4.44Å; L338-L367 HydrophobicContact CG-CB 3.86Å; R341-L367 HydrophobicContact CB-CD1 4.13Å; L343-L367 HydrophobicContact CB-CD1 4.25Å; L343-L367 HydrophobicContact CB-CD2 3.91Å; V364-L367 HydrophobicContact CB-CD2 4.3Å; V364-L367 HydrophobicContact CG1-CD2 4.04Å; D365-L367 VanDerWaalsContact C-N 3.26Å; D365-L367 PolarHBondContact O-N 3.03Å |
| 368 | L | 80.9 | Confident | 80.4 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 34% | 0.335 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -66.4 | -34.4 | 170.4 | -73.8 | 169.1 | 0 | 0 | 0 | 113.1 | L335 L338 H339 N366 F370 S371 | L335-L368 HydrophobicContact CD1-CD2 3.7Å; L338-L368 HydrophobicContact CB-CD2 4.3Å; L338-L368 HydrophobicContact CD2-CD2 4.07Å; L338-L368 HydrophobicContact CG-CD2 4.44Å; L338-L368 HydrophobicContact CG-CG 4.49Å; H339-L368 HydrophobicContact CB-CD1 3.72Å; N366-L368 PolarHBondContact O-N 3.33Å; L368-F370 PolarHBondContact O-N 3.09Å; L368-S371 WeakPolarHBondContact O-CB 3.49Å; L368-S371 PolarHBondContact O-N 3.04Å; L368-S371 PolarHBondContact O-OG 2.94Å |
| 369 | D | 77.1 | Confident | 80.5 | Confident | 111 Ų | 111 | 56.1 Ų | 56.1 | 59% | 0.594 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -61.7 | -19 | 179.9 | -59.2 | 3.3 | 0 | 0 | 0 | 112.1 | N366 | N366-D369 WeakPolarHBondContact CB-OD2 3.14Å; N366-D369 WeakPolarHBondContact O-CB 3.49Å; N366-D369 PolarHBondContact O-N 2.95Å |
| 370 | F | 72 | Confident | 80.6 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -101.1 | 1.7 | 176.7 | -52.6 | -80.5 | 0 | 0 | 0 | 113.7 | L268 V364 L368 S374 I379 | L268-F370 HydrophobicContact CB-CB 3.85Å; L268-F370 HydrophobicContact CB-CG 4.31Å; L268-F370 HydrophobicContact CD1-CB 4.22Å; L268-F370 HydrophobicContact CD1-CD1 4.42Å; L268-F370 HydrophobicContact CD1-CD2 3.86Å; L268-F370 HydrophobicContact CD1-CE2 4.34Å; L268-F370 HydrophobicContact CD1-CG 3.9Å; V364-F370 HydrophobicContact CG1-CE2 3.8Å; V364-F370 HydrophobicContact CG1-CZ 4.21Å; L368-F370 PolarHBondContact O-N 3.09Å; F370-S374 WeakPolarHBondContact CA-OG 3.39Å; F370-S374 PolarHBondContact O-OG 3.42Å; F370-I379 HydrophobicContact CD1-CD1 3.45Å; F370-I379 VanDerWaalsContact CD1-CD1 3.45Å; F370-I379 HydrophobicContact CD1-CG1 4.26Å; F370-I379 HydrophobicContact CE1-CD1 3.55Å; F370-I379 HydrophobicContact CE1-CG1 4.06Å; F370-I379 HydrophobicContact CG-CD1 4.3Å; F370-I379 HydrophobicContact CZ-CD1 4.47Å |
| 371 | S | 66.1 | Low | 80.7 | Confident | 17 Ų | 17 | 65 Ų | 65 | 12% | 0.119 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -31.2 | 175.6 | 74 | 0 | 0 | 0 | 0 | 112.5 | L368 | L368-S371 WeakPolarHBondContact O-CB 3.49Å; L368-S371 PolarHBondContact O-N 3.04Å; L368-S371 PolarHBondContact O-OG 2.94Å |
| 372 | E | 63.3 | Low | 80.8 | Confident | 166 Ų | 166 | 68.9 Ų | 68.9 | 78% | 0.776 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -95.1 | 97.8 | -179 | -62.9 | -166.2 | 160.9 | 0 | 0 | 112 | S374 | E372-S374 VanDerWaalsContact C-N 3.31Å; E372-S374 PolarHBondContact O-N 3.27Å; E372-S374 VanDerWaalsContact O-N 3.1Å |
| 373 | G | 56.5 | Low | 80.9 | Confident | 88 Ų | 88 | 69 Ų | 69 | 91% | 0.907 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 77.4 | -9.8 | 163 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 374 | S | 58.5 | Low | 80.8 | Confident | 30 Ų | 30 | 70.3 Ų | 70.3 | 21% | 0.21 | 38% | 0.382 | C | S | . | . | trans | -90.5 | 3.1 | -177.7 | 73.5 | 0 | 0 | 0 | 0 | 115.9 | F370 E372 D376 K377 | F370-S374 WeakPolarHBondContact CA-OG 3.39Å; F370-S374 PolarHBondContact O-OG 3.42Å; E372-S374 VanDerWaalsContact C-N 3.31Å; E372-S374 PolarHBondContact O-N 3.27Å; E372-S374 VanDerWaalsContact O-N 3.1Å; S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 2.99Å; S374-K377 PolarHBondContact O-N 3.12Å | ||
| 375 | G | 60.3 | Low | 80.4 | Confident | 14 Ų | 14 | 75.3 Ų | 75.3 | 14% | 0.144 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -24.8 | -159 | 0 | 0 | 0 | 0 | 0 | 118 | L268 | L268-G375 WeakPolarHBondContact O-CA 3.48Š|
| 376 | D | 69.4 | Low | 79.1 | Confident | 129 Ų | 129 | 72.9 Ų | 72.9 | 69% | 0.69 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 4.8 | -179.8 | -63.1 | -44.2 | 0 | 0 | 0 | 113.7 | S374 P378 | S374-D376 VanDerWaalsContact C-N 3.25Å; S374-D376 PolarHBondContact O-N 2.99Å; D376-P378 WeakPolarHBondContact O-CD 3.46Å |
| 377 | K | 83.7 | Confident | 77.3 | Confident | 156 Ų | 156 | 74.5 Ų | 74.5 | 68% | 0.678 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -87.3 | 118.7 | 179.1 | -174.5 | 178.9 | 179.8 | -178.8 | 0 | 111.2 | L267 S374 I379 | L267-K377 VanDerWaalsContact CD2-O 3.29Å; L267-K377 WeakPolarHBondContact CD2-O 3.42Å; S374-K377 PolarHBondContact O-N 3.12Å; K377-I379 PolarHBondContact O-N 3.19Å; K377-I379 VanDerWaalsContact O-N 3.16Å |
| 378 | P | 92 | Very high | 75.5 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 117.9 | 178.3 | -25.3 | 35.9 | 0 | 0 | 0 | 112.7 | L267 L282 D376 | L267-P378 HydrophobicContact CD2-CB 4.49Å; L267-P378 HydrophobicContact CD2-CG 4.31Å; L282-P378 HydrophobicContact CD1-CB 4.05Å; L282-P378 HydrophobicContact CD1-CG 4.23Å; D376-P378 WeakPolarHBondContact O-CD 3.46Å |
| 379 | I | 92.5 | Very high | 73.9 | Confident | 18 Ų | 18 | 79.1 Ų | 79.1 | 9% | 0.092 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132.1 | 174.4 | -55.1 | 159.1 | 0 | 0 | 0 | 107.4 | C265 F266 L268 F370 K377 | C265-I379 VanDerWaalsContact CA-O 3.29Å; C265-I379 WeakPolarHBondContact CA-O 3.43Å; F266-I379 HydrophobicContact CD2-CB 4.18Å; F266-I379 HydrophobicContact CD2-CD1 4.08Å; F266-I379 HydrophobicContact CE1-CB 4.33Å; F266-I379 HydrophobicContact CE1-CG2 4.05Å; F266-I379 HydrophobicContact CE2-CB 3.83Å; F266-I379 HydrophobicContact CE2-CD1 3.71Å; F266-I379 HydrophobicContact CE2-CG1 4.4Å; F266-I379 HydrophobicContact CE2-CG2 3.79Å; F266-I379 HydrophobicContact CZ-CB 3.9Å; F266-I379 HydrophobicContact CZ-CG2 3.46Å; F266-I379 VanDerWaalsContact CZ-CG2 3.46Å; F266-I379 PolarHBondContact N-O 3.41Å; F266-I379 PolarHBondContact O-N 3.16Å; L268-I379 HydrophobicContact CB-CD1 4.09Å; L268-I379 HydrophobicContact CD1-CD1 4.07Å; L268-I379 HydrophobicContact CG-CD1 3.85Å; F370-I379 HydrophobicContact CD1-CD1 3.45Å; F370-I379 VanDerWaalsContact CD1-CD1 3.45Å; F370-I379 HydrophobicContact CD1-CG1 4.26Å; F370-I379 HydrophobicContact CE1-CD1 3.55Å; F370-I379 HydrophobicContact CE1-CG1 4.06Å; F370-I379 HydrophobicContact CG-CD1 4.3Å; F370-I379 HydrophobicContact CZ-CD1 4.47Å; K377-I379 PolarHBondContact O-N 3.19Å; K377-I379 VanDerWaalsContact O-N 3.16Å |
| 380 | W | 94.9 | Very high | 72.7 | Confident | 87 Ų | 87 | 83.1 Ų | 83.1 | 33% | 0.33 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142.8 | 167.1 | -70.9 | 89.3 | 0 | 0 | 0 | 110.2 | R263 I264 C265 K283 L285 | R263-W380 HydrophobicContact CB-CE3 4.32Å; R263-W380 HydrophobicContact CG-CE3 3.94Å; R263-W380 HydrophobicContact CG-CZ3 3.93Å; I264-W380 WeakPolarHBondContact O-CA 3.35Å; C265-W380 HydrophobicContact CB-CD2 3.78Å; C265-W380 HydrophobicContact CB-CE3 3.71Å; C265-W380 HydrophobicContact CB-CH2 3.62Å; C265-W380 HydrophobicContact CB-CZ2 3.69Å; C265-W380 HydrophobicContact CB-CZ3 3.63Å; K283-W380 HydrophobicContact CD-CH2 4.41Å; K283-W380 HydrophobicContact CG-CH2 4.27Å; L285-W380 HydrophobicContact CB-CZ3 4.4Å; L285-W380 HydrophobicContact CD1-CH2 3.37Å; L285-W380 HydrophobicContact CD1-CZ2 4.27Å; L285-W380 HydrophobicContact CD1-CZ3 3.83Å; L285-W380 HydrophobicContact CG-CH2 3.7Å; L285-W380 HydrophobicContact CG-CZ3 3.95Å |
| 381 | R | 95.3 | Very high | 71.9 | Confident | 101 Ų | 101 | 83.3 Ų | 83.3 | 38% | 0.381 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 133.8 | 166.5 | -71 | -66.9 | -179.3 | -96.8 | 9.4 | 108.6 | R263 I264 F266 V362 | R263-R381 CarbonylContact C-O 3.45Å; R263-R381 WeakPolarHBondContact CA-O 3.49Å; I264-R381 HydrophobicContact CG2-CB 4.39Å; I264-R381 PolarHBondContact N-O 3.09Å; I264-R381 PolarHBondContact O-N 3.42Å; F266-R381 HydrophobicContact CE1-CB 4.11Å; F266-R381 HydrophobicContact CE1-CG 3.8Å; F266-R381 HydrophobicContact CZ-CG 3.84Å; V362-R381 HydrophobicContact CG1-CB 3.54Å; V362-R381 HydrophobicContact CG1-CG 3.84Å; V362-R381 HydrophobicContact CG2-CB 4.24Å |
| 382 | D | 95.6 | Very high | 72.3 | Confident | 117 Ų | 117 | 86 Ų | 86 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 140.1 | 171.4 | -51.2 | -53.8 | 0 | 0 | 0 | 108.8 | V362 | V362-D382 WeakPolarHBondContact CG2-O 3.29Å |
| 383 | I | 95.4 | Very high | 73.6 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 4% | 0.041 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -83 | 119.9 | -179.7 | -64.1 | 160.8 | 0 | 0 | 0 | 106.5 | C261 G262 I264 L287 V347 V362 | C261-I383 HydrophobicContact CB-CB 4.1Å; C261-I383 HydrophobicContact CB-CG2 3.72Å; C261-I383 WeakPolarHBondContact CB-O 3.47Å; C261-I383 WeakPolarHBondContact O-CB 3.47Å; C261-I383 WeakPolarHBondContact O-CD1 3.49Å; G262-I383 PolarHBondContact O-N 3.22Å; I264-I383 HydrophobicContact CB-CD1 4.26Å; I264-I383 HydrophobicContact CB-CG1 4.25Å; I264-I383 HydrophobicContact CG2-CG1 4.33Å; L287-I383 HydrophobicContact CD2-CD1 3.39Å; V347-I383 HydrophobicContact CG2-CD1 3.89Å; V347-I383 HydrophobicContact CG2-CG1 4.32Å; V362-I383 HydrophobicContact CG2-CB 4.37Å; V362-I383 HydrophobicContact CG2-CG1 3.97Å |
| 384 | V | 90.5 | Very high | 75.2 | Confident | 102 Ų | 102 | 74.1 Ų | 74.1 | 62% | 0.618 | 39% | 0.39 | S | S | * | . | B | Isolated β-bridge | trans | -79.8 | 137.6 | 174.5 | -173.4 | 0 | 0 | 0 | 0 | 107.6 | G360 Q361 G386 | G360-V384 CarbonylContact C-O 3.5Å; G360-V384 VanDerWaalsContact CA-O 3.3Å; G360-V384 WeakPolarHBondContact CA-O 3.19Å; Q361-V384 PolarHBondContact N-O 3.39Å; Q361-V384 PolarHBondContact O-N 3.04Å; V384-G386 PolarHBondContact O-N 3Å; V384-G386 VanDerWaalsContact O-N 3.08Å |
| 385 | E | 82.9 | Confident | 76.7 | Confident | 108 Ų | 108 | 76.3 Ų | 76.3 | 51% | 0.505 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 121.3 | 170 | -167.6 | 175.7 | -156.1 | 0 | 0 | 108 | C261 T387 | C261-E385 VanDerWaalsContact SG-CA 3.52Å; C261-E385 WeakPolarHBondContact SG-CB 3.32Å; E385-T387 PolarHBondContact O-N 2.9Å |
| 386 | G | 61.8 | Low | 78.4 | Confident | 18 Ų | 18 | 75.6 Ų | 75.6 | 19% | 0.186 | 39% | 0.39 | C | S | . | . | trans | -71.4 | 102.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V384 A388 | V384-G386 PolarHBondContact O-N 3Å; V384-G386 VanDerWaalsContact O-N 3.08Å; G386-A388 PolarHBondContact O-N 2.97Å | ||
| 387 | T | 48.5 | Very low | 79.8 | Confident | 127 Ų | 127 | 69.5 Ų | 69.5 | 78% | 0.779 | 36% | 0.357 | S | S | * | . | trans | -61 | 89.5 | 155.1 | 45.5 | 0 | 0 | 0 | 0 | 107.1 | E385 E389 | E385-T387 PolarHBondContact O-N 2.9Å; T387-E389 WeakPolarHBondContact O-CA 3.29Å; T387-E389 PolarHBondContact O-N 3.42Å | ||
| 388 | A | 48.4 | Very low | 80.5 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | trans | -54.3 | 109.8 | -177 | 0 | 0 | 0 | 0 | 0 | 107.9 | G386 K390 A391 | G386-A388 PolarHBondContact O-N 2.97Å; A388-K390 VanDerWaalsContact C-N 3.31Å; A388-K390 CarbonylContact O-C 3.56Å; A388-K390 WeakPolarHBondContact O-CA 3.41Å; A388-K390 PolarHBondContact O-N 2.77Å; A388-A391 HydrophobicContact CB-CB 4.13Å; A388-A391 PolarHBondContact O-N 3.43Å | ||
| 389 | E | 46.3 | Very low | 80.8 | Confident | 124 Ų | 124 | 59.3 Ų | 59.3 | 58% | 0.579 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.1 | 86.3 | -152.5 | -71 | 169 | 114 | 0 | 0 | 113.7 | R308 T387 A391 | R308-E389 IonicContact CZ-OE1 2.69Å; R308-E389 IonicContact CZ-OE2 3.2Å; R308-E389 VanDerWaalsContact CZ-OE2 3.26Å; R308-E389 IonicContact NH1-OE1 3.67Å; R308-E389 IonicContact NH1-OE2 2.76Å; R308-E389 PolarHBondContact NH1-OE2 3.4Å; R308-E389 VanDerWaalsContact NH2-CD 3.27Å; R308-E389 IonicContact NH2-OE1 3.06Å; R308-E389 PolarHBondContact NH2-OE1 3.16Å; R308-E389 IonicContact NH2-OE2 2.64Å; R308-E389 PolarHBondContact NH2-OE2 2.85Å; T387-E389 WeakPolarHBondContact O-CA 3.29Å; T387-E389 PolarHBondContact O-N 3.42Å; E389-A391 PolarHBondContact O-N 2.93Å |
| 390 | K | 51.8 | Low | 81.1 | Confident | 196 Ų | 196 | 58.4 Ų | 58.4 | 85% | 0.852 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 25.8 | 55.6 | -163 | -155.4 | -170.5 | -176 | -166.2 | 0 | 112.8 | A388 D392 | A388-K390 VanDerWaalsContact C-N 3.31Å; A388-K390 CarbonylContact O-C 3.56Å; A388-K390 WeakPolarHBondContact O-CA 3.41Å; A388-K390 PolarHBondContact O-N 2.77Å; K390-D392 PolarHBondContact O-N 3.41Å; K390-D392 VanDerWaalsContact O-N 3.1Å |
| 391 | A | 56.7 | Low | 81.2 | Confident | 35 Ų | 35 | 55 Ų | 55 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | trans | -46.5 | 115.9 | -162.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A388 E389 L393 | A388-A391 HydrophobicContact CB-CB 4.13Å; A388-A391 PolarHBondContact O-N 3.43Å; E389-A391 PolarHBondContact O-N 2.93Å; A391-L393 HydrophobicContact CB-CD2 4.37Å; A391-L393 WeakPolarHBondContact O-CD2 3.4Å; A391-L393 WeakPolarHBondContact O-CG 3.2Å; A391-L393 PolarHBondContact O-N 2.85Å | ||
| 392 | D | 74.9 | Confident | 81.4 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | trans | -68.1 | 104.4 | -177.3 | -170.1 | 5.9 | 0 | 0 | 0 | 109.1 | K390 G394 N418 Q526 | K390-D392 PolarHBondContact O-N 3.41Å; K390-D392 VanDerWaalsContact O-N 3.1Å; D392-G394 PolarHBondContact O-N 2.99Å; D392-G394 WeakPolarHBondContact OD1-CA 3.48Å; D392-G394 PolarHBondContact OD1-N 3.49Å; D392-N418 PolarHBondContact OD2-ND2 3.03Å; D392-Q526 PolarHBondContact OD1-NE2 2.71Å | ||
| 393 | L | 88.9 | Confident | 81.5 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | trans | -79.8 | -5.4 | 177.2 | -50.7 | -175.5 | 0 | 0 | 0 | 111.2 | A391 L419 K420 I493 L527 E529 | A391-L393 HydrophobicContact CB-CD2 4.37Å; A391-L393 WeakPolarHBondContact O-CD2 3.4Å; A391-L393 WeakPolarHBondContact O-CG 3.2Å; A391-L393 PolarHBondContact O-N 2.85Å; L393-L419 WeakPolarHBondContact O-CA 3.4Å; L393-K420 HydrophobicContact CD2-CB 4.37Å; L393-K420 HydrophobicContact CD2-CD 3.57Å; L393-K420 PolarHBondContact O-N 2.96Å; L393-I493 WeakPolarHBondContact CD1-O 3.48Å; L393-L527 HydrophobicContact CB-CB 3.84Å; L393-E529 HydrophobicContact CD1-CG 3.89Å | ||
| 394 | G | 89.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | 93.7 | 179.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D392 T417 N418 Q526 L527 | D392-G394 PolarHBondContact O-N 2.99Å; D392-G394 WeakPolarHBondContact OD1-CA 3.48Å; D392-G394 PolarHBondContact OD1-N 3.49Å; G394-T417 CarbonylContact C-O 3.56Å; G394-T417 WeakPolarHBondContact CA-O 3.23Å; G394-N418 WeakPolarHBondContact CA-O 3.5Å; G394-N418 PolarHBondContact N-O 2.85Å; G394-Q526 PolarHBondContact O-NE2 3.43Å; G394-L527 WeakPolarHBondContact O-CB 3.45Å; G394-L527 WeakPolarHBondContact O-CG 3.48Å; G394-L527 PolarHBondContact O-N 2.8Å | ||
| 395 | E | 90.3 | Very high | 81.7 | Confident | 76 Ų | 76 | 51 Ų | 51 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.7 | 177.2 | -57.8 | -174.2 | 104.2 | 0 | 0 | 110.6 | A416 T417 W524 H525 | E395-A416 CarbonylContact O-C 3.58Å; E395-A416 WeakPolarHBondContact O-CA 3.42Å; E395-A416 WeakPolarHBondContact O-CB 3.22Å; E395-T417 PolarHBondContact N-O 3.02Å; E395-T417 PolarHBondContact O-N 2.89Å; E395-W524 HydrophobicContact CB-CE3 3.79Å; E395-W524 HydrophobicContact CB-CZ3 4.16Å; E395-H525 WeakPolarHBondContact CA-O 3.29Å |
| 396 | L | 97.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.2 | 175.9 | -175.8 | 69.8 | 0 | 0 | 0 | 110.5 | F398 I413 A416 V432 I479 V481 H525 L527 | L396-F398 HydrophobicContact CD2-CD1 4Å; L396-F398 HydrophobicContact CD2-CE1 4.4Å; L396-F398 HydrophobicContact CG-CD1 4.07Å; L396-I413 HydrophobicContact CD1-CG2 4.17Å; L396-A416 HydrophobicContact CD1-CB 3.82Å; L396-V432 HydrophobicContact CD1-CG2 4.02Å; L396-V432 HydrophobicContact CD2-CG1 4.12Å; L396-I479 HydrophobicContact CD2-CB 4.5Å; L396-I479 HydrophobicContact CD2-CG2 3.52Å; L396-V481 HydrophobicContact CD1-CG2 4.14Å; L396-V481 HydrophobicContact CD2-CG2 4.13Å; L396-V481 HydrophobicContact CG-CG2 4.5Å; L396-H525 PolarHBondContact N-O 3.27Å; L396-H525 PolarHBondContact O-N 2.86Å; L396-L527 HydrophobicContact CB-CD2 3.98Å; L396-L527 HydrophobicContact CB-CG 4.41Å |
| 397 | N | 97.3 | Very high | 84 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.6 | 170.5 | -175.4 | -31.6 | 0 | 0 | 0 | 110.1 | I414 K415 E522 W524 | N397-I414 PolarHBondContact O-N 3.07Å; N397-K415 HydrophobicContact CB-CG 4.02Å; N397-K415 PolarHBondContact N-O 3.38Å; N397-K415 PolarHBondContact O-N 3.08Å; N397-E522 PolarHBondContact ND2-OE1 2.76Å; N397-E522 WeakPolarHBondContact OD1-CG 3.34Å; N397-E522 PolarHBondContact OD1-OE1 2.68Å; N397-W524 HydrophobicContact CB-CD2 3.73Å; N397-W524 HydrophobicContact CB-CE3 3.62Å; N397-W524 HydrophobicContact CB-CG 4.46Å; N397-W524 HydrophobicContact CB-CH2 3.9Å; N397-W524 HydrophobicContact CB-CZ2 3.99Å; N397-W524 HydrophobicContact CB-CZ3 3.69Å; N397-W524 PolarHBondContact ND2-NE1 3.29Å |
| 398 | F | 98.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 160.2 | 170.3 | 58.9 | -88.1 | 0 | 0 | 0 | 110.7 | L396 L400 T412 I413 I479 V498 H509 H523 H525 | L396-F398 HydrophobicContact CD2-CD1 4Å; L396-F398 HydrophobicContact CD2-CE1 4.4Å; L396-F398 HydrophobicContact CG-CD1 4.07Å; F398-L400 HydrophobicContact CD2-CD2 3.94Å; F398-L400 HydrophobicContact CD2-CG 4.05Å; F398-L400 HydrophobicContact CE2-CD1 4.19Å; F398-L400 HydrophobicContact CE2-CD2 3.9Å; F398-L400 HydrophobicContact CE2-CG 3.86Å; F398-T412 CarbonylContact C-O 3.6Å; F398-T412 WeakPolarHBondContact CA-O 3.41Å; F398-T412 WeakPolarHBondContact CB-O 3.43Å; F398-I413 HydrophobicContact CB-CD1 3.9Å; F398-I413 HydrophobicContact CG-CD1 4.49Å; F398-I479 HydrophobicContact CD1-CD1 4.1Å; F398-I479 HydrophobicContact CD2-CD1 3.99Å; F398-I479 HydrophobicContact CE1-CD1 3.84Å; F398-I479 HydrophobicContact CE2-CD1 3.73Å; F398-I479 HydrophobicContact CG-CD1 4.17Å; F398-I479 HydrophobicContact CZ-CD1 3.65Å; F398-V498 HydrophobicContact CE2-CG1 4.02Å; F398-V498 HydrophobicContact CZ-CG1 3.73Å; F398-H509 AromaticContact CD2-CE1 3.88Å; F398-H509 AromaticContact CE2-CE1 3.7Å; F398-H509 AromaticContact CE2-ND1 3.84Å; F398-H509 PolarHBondContact O-CE1 2.99Å; F398-H523 PolarHBondContact N-O 3.28Å; F398-H523 PolarHBondContact O-N 2.9Å; F398-H523 VanDerWaalsContact O-N 3.11Å; F398-H525 HydrophobicContact CE1-CB 4.17Å; F398-H525 AromaticContact CE1-CD2 3.23Å; F398-H525 WeakPolarHBondContact CE1-CD2 3.43Å; F398-H525 AromaticContact CE1-CG 3.85Å; F398-H525 AromaticContact CE1-NE2 3.91Å; F398-H525 AromaticContact CZ-CD2 3.24Å; F398-H525 WeakPolarHBondContact CZ-CD2 3.5Å; F398-H525 AromaticContact CZ-NE2 3.38Å; F398-H525 WeakPolarHBondContact CZ-NE2 3.41Å |
| 399 | S | 98.6 | Very high | 88.7 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.7 | 170.9 | 75.1 | 0 | 0 | 0 | 0 | 112.6 | A411 T412 I521 | S399-A411 WeakPolarHBondContact O-CA 3.48Å; S399-T412 PolarHBondContact N-O 3.4Å; S399-T412 PolarHBondContact O-N 2.83Å; S399-T412 WeakPolarHBondContact OG-CB 3.17Å; S399-I521 CarbonylContact C-O 3.51Å; S399-I521 WeakPolarHBondContact CA-O 3.44Å; S399-I521 WeakPolarHBondContact CB-O 3.48Å |
| 400 | L | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 138 | 171.3 | -60.5 | 178.7 | 0 | 0 | 0 | 111.3 | F398 A411 V498 H509 W510 M513 P520 I521 | F398-L400 HydrophobicContact CD2-CD2 3.94Å; F398-L400 HydrophobicContact CD2-CG 4.05Å; F398-L400 HydrophobicContact CE2-CD1 4.19Å; F398-L400 HydrophobicContact CE2-CD2 3.9Å; F398-L400 HydrophobicContact CE2-CG 3.86Å; L400-A411 HydrophobicContact CD2-CB 3.74Å; L400-V498 HydrophobicContact CD1-CB 4.22Å; L400-V498 HydrophobicContact CD1-CG1 4.31Å; L400-V498 HydrophobicContact CD1-CG2 4.06Å; L400-H509 WeakPolarHBondContact CB-NE2 3.18Å; L400-H509 WeakPolarHBondContact CG-NE2 3.38Å; L400-H509 PolarHBondContact N-NE2 2.74Å; L400-W510 HydrophobicContact CD1-CE3 3.93Å; L400-W510 HydrophobicContact CD1-CZ3 4.41Å; L400-M513 HydrophobicContact CB-CB 4.17Å; L400-M513 HydrophobicContact CB-CG 3.97Å; L400-M513 HydrophobicContact CB-SD 3.62Å; L400-M513 HydrophobicContact CD1-SD 4.22Å; L400-M513 HydrophobicContact CG-SD 4.48Å; L400-P520 WeakPolarHBondContact O-CA 3.41Å; L400-I521 PolarHBondContact N-O 3.11Å; L400-I521 PolarHBondContact O-N 3.03Å |
| 401 | C | 98.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 31.4 Ų | 31.4 | 11% | 0.108 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 119.6 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | T410 R518 P520 | C401-T410 PolarHBondContact N-O 2.81Å; C401-T410 PolarHBondContact O-N 2.84Å; C401-R518 VanDerWaalsContact SG-C 3.59Å; C401-P520 HydrophobicContact CB-CB 4.37Å; C401-P520 HydrophobicContact CB-CG 4.23Å |
| 402 | Y | 98.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 143.2 | 175.4 | -169.1 | -122.5 | 0 | 0 | 0 | 113 | P404 R408 L409 I467 N469 I472 L514 R518 | Y402-P404 HydrophobicContact CD1-CG 3.76Å; Y402-P404 HydrophobicContact CE1-CB 4.14Å; Y402-P404 HydrophobicContact CE1-CG 3.79Å; Y402-R408 VanDerWaalsContact CD2-O 3.24Å; Y402-R408 WeakPolarHBondContact CD2-O 3.42Å; Y402-L409 HydrophobicContact CD2-CB 3.88Å; Y402-L409 HydrophobicContact CE2-CB 4.41Å; Y402-I467 HydrophobicContact CE2-CB 4.49Å; Y402-I467 PolarHBondContact OH-O 2.95Å; Y402-N469 VanDerWaalsContact OH-CA 3.23Å; Y402-N469 WeakPolarHBondContact OH-CA 3.23Å; Y402-N469 PolarHBondContact OH-N 3Å; Y402-I472 HydrophobicContact CD1-CD1 4.4Å; Y402-I472 HydrophobicContact CD1-CG1 4.06Å; Y402-I472 HydrophobicContact CD2-CD1 3.84Å; Y402-I472 HydrophobicContact CD2-CG1 4.4Å; Y402-I472 HydrophobicContact CE1-CB 4.16Å; Y402-I472 HydrophobicContact CE1-CD1 4.25Å; Y402-I472 HydrophobicContact CE1-CG1 3.85Å; Y402-I472 HydrophobicContact CE1-CG2 4.36Å; Y402-I472 HydrophobicContact CE2-CD1 3.68Å; Y402-I472 HydrophobicContact CE2-CG1 4.22Å; Y402-I472 HydrophobicContact CG-CD1 4.22Å; Y402-I472 HydrophobicContact CG-CG1 4.35Å; Y402-L514 HydrophobicContact CD1-CD2 4.21Å; Y402-R518 PolarHBondContact O-N 3.34Å |
| 403 | L | 97.5 | Very high | 96.5 | Very high | 44 Ų | 44 | 28 Ų | 28 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 86.2 | 178.1 | -72 | 134.9 | 0 | 0 | 0 | 109.5 | T405 A406 G407 R408 R518 | L403-T405 PolarHBondContact O-N 2.85Å; L403-A406 HydrophobicContact CB-CB 4.12Å; L403-A406 CarbonylContact O-C 3.09Å; L403-A406 PolarHBondContact O-N 2.93Å; L403-G407 PolarHBondContact O-N 2.81Å; L403-R408 HydrophobicContact CB-CB 4.42Å; L403-R408 HydrophobicContact CD1-CB 4.46Å; L403-R408 PolarHBondContact N-O 2.94Å; L403-R408 PolarHBondContact O-N 2.9Å; L403-R518 HydrophobicContact CD2-CG 3.94Å |
| 404 | P | 95.9 | Very high | 97 | Very high | 42 Ų | 42 | 29 Ų | 29 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -47.9 | -51.6 | -178.4 | -33.7 | 37.7 | 0 | 0 | 0 | 114.6 | Y402 A406 G407 N469 P517 | Y402-P404 HydrophobicContact CD1-CG 3.76Å; Y402-P404 HydrophobicContact CE1-CB 4.14Å; Y402-P404 HydrophobicContact CE1-CG 3.79Å; P404-A406 PolarHBondContact O-N 3.1Å; P404-A406 VanDerWaalsContact O-N 3.17Å; P404-G407 PolarHBondContact O-N 2.72Å; P404-G407 VanDerWaalsContact O-N 3.07Å; P404-N469 WeakPolarHBondContact CB-OD1 3.25Å; P404-P517 HydrophobicContact CG-CB 4.27Å |
| 405 | T | 95.2 | Very high | 97.2 | Very high | 153 Ų | 153 | 32.7 Ų | 32.7 | 94% | 0.939 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -64 | -21.9 | -177.1 | -40.8 | 0 | 0 | 0 | 0 | 113.8 | L403 | L403-T405 PolarHBondContact O-N 2.85Š|
| 406 | A | 95.5 | Very high | 97.6 | Very high | 55 Ų | 55 | 29.1 Ų | 29.1 | 46% | 0.455 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -106.6 | 1.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L403 P404 R408 | L403-A406 HydrophobicContact CB-CB 4.12Å; L403-A406 CarbonylContact O-C 3.09Å; L403-A406 PolarHBondContact O-N 2.93Å; P404-A406 PolarHBondContact O-N 3.1Å; P404-A406 VanDerWaalsContact O-N 3.17Å; A406-R408 VanDerWaalsContact C-N 3.26Å; A406-R408 HydrophobicContact CB-CB 4.31Å; A406-R408 PolarHBondContact O-N 3.05Å |
| 407 | G | 96.7 | Very high | 97 | Very high | 16 Ų | 16 | 31 Ų | 31 | 17% | 0.165 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 43.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | L403 P404 D466 I467 | L403-G407 PolarHBondContact O-N 2.81Å; P404-G407 PolarHBondContact O-N 2.72Å; P404-G407 VanDerWaalsContact O-N 3.07Å; G407-D466 CarbonylContact O-C 3.51Å; G407-D466 WeakPolarHBondContact O-CA 3.24Å; G407-I467 CarbonylContact C-O 3.48Å; G407-I467 WeakPolarHBondContact CA-O 3.45Å; G407-I467 CarbonylContact O-C 3.37Å; G407-I467 PolarHBondContact O-N 3.25Å; G407-I467 VanDerWaalsContact O-O 3.05Å |
| 408 | R | 97.4 | Very high | 96.5 | Very high | 103 Ų | 103 | 35.4 Ų | 35.4 | 39% | 0.389 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 124.3 | -168.3 | -169 | 169.5 | 66.6 | -143.4 | 2.5 | 113.8 | Y402 L403 A406 V464 | Y402-R408 VanDerWaalsContact CD2-O 3.24Å; Y402-R408 WeakPolarHBondContact CD2-O 3.42Å; L403-R408 HydrophobicContact CB-CB 4.42Å; L403-R408 HydrophobicContact CD1-CB 4.46Å; L403-R408 PolarHBondContact N-O 2.94Å; L403-R408 PolarHBondContact O-N 2.9Å; A406-R408 VanDerWaalsContact C-N 3.26Å; A406-R408 HydrophobicContact CB-CB 4.31Å; A406-R408 PolarHBondContact O-N 3.05Å; R408-V464 HydrophobicContact CG-CG1 3.76Å |
| 409 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.1 | 172.8 | 177.8 | 52.5 | 0 | 0 | 0 | 110.2 | Y402 F465 I467 I477 W510 M513 | Y402-L409 HydrophobicContact CD2-CB 3.88Å; Y402-L409 HydrophobicContact CE2-CB 4.41Å; L409-F465 HydrophobicContact CB-CB 4.46Å; L409-F465 PolarHBondContact N-O 2.98Å; L409-F465 PolarHBondContact O-N 3Å; L409-I467 HydrophobicContact CB-CD1 3.83Å; L409-I467 HydrophobicContact CD2-CD1 3.68Å; L409-I467 HydrophobicContact CG-CD1 4.38Å; L409-I477 HydrophobicContact CD2-CD1 3.63Å; L409-I477 HydrophobicContact CD2-CG1 4.5Å; L409-I477 HydrophobicContact CG-CD1 4.41Å; L409-W510 HydrophobicContact CD2-CH2 3.5Å; L409-W510 HydrophobicContact CD2-CZ3 3.7Å; L409-M513 HydrophobicContact CD1-CE 4.4Å; L409-M513 HydrophobicContact CD1-SD 3.37Å; L409-M513 WeakPolarHBondContact CD1-SD 3.28Å |
| 410 | T | 98.4 | Very high | 95.7 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 17% | 0.166 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.6 | 170.5 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | C401 A462 V464 | C401-T410 PolarHBondContact N-O 2.81Å; C401-T410 PolarHBondContact O-N 2.84Å; T410-A462 HydrophobicContact CG2-CB 3.98Å; T410-V464 HydrophobicContact CG2-CG2 4.39Å |
| 411 | A | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 101 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S399 L400 I413 L463 | S399-A411 WeakPolarHBondContact O-CA 3.48Å; L400-A411 HydrophobicContact CD2-CB 3.74Å; A411-I413 PolarHBondContact O-N 2.79Å; A411-L463 PolarHBondContact N-O 2.94Å; A411-L463 WeakPolarHBondContact O-CB 3.22Å; A411-L463 PolarHBondContact O-N 2.94Å |
| 412 | T | 98.8 | Very high | 94.6 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.6 | 178.5 | -48.3 | 0 | 0 | 0 | 0 | 109.3 | F398 S399 I414 E461 | F398-T412 CarbonylContact C-O 3.6Å; F398-T412 WeakPolarHBondContact CA-O 3.41Å; F398-T412 WeakPolarHBondContact CB-O 3.43Å; S399-T412 PolarHBondContact N-O 3.4Å; S399-T412 PolarHBondContact O-N 2.83Å; S399-T412 WeakPolarHBondContact OG-CB 3.17Å; T412-I414 HydrophobicContact CG2-CG1 4.44Å; T412-I414 PolarHBondContact O-N 3.05Å; T412-E461 WeakPolarHBondContact CA-O 3.3Å |
| 413 | I | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 115.7 | 174.1 | -52.3 | -52.7 | 0 | 0 | 0 | 107.8 | L396 F398 A411 V432 T448 Y459 N460 E461 L463 I479 | L396-I413 HydrophobicContact CD1-CG2 4.17Å; F398-I413 HydrophobicContact CB-CD1 3.9Å; F398-I413 HydrophobicContact CG-CD1 4.49Å; A411-I413 PolarHBondContact O-N 2.79Å; I413-V432 HydrophobicContact CD1-CG1 4Å; I413-V432 HydrophobicContact CG1-CB 4.39Å; I413-V432 HydrophobicContact CG1-CG1 4.1Å; I413-V432 HydrophobicContact CG2-CB 4.07Å; I413-V432 HydrophobicContact CG2-CG1 4.25Å; I413-V432 HydrophobicContact CG2-CG2 3.78Å; I413-T448 HydrophobicContact CB-CG2 3.9Å; I413-T448 HydrophobicContact CG1-CG2 3.85Å; I413-T448 HydrophobicContact CG2-CG2 4.12Å; I413-Y459 HydrophobicContact CG2-CD2 3.64Å; I413-Y459 HydrophobicContact CG2-CE2 4.22Å; I413-Y459 HydrophobicContact CG2-CG 4.05Å; I413-N460 CarbonylContact O-C 3.58Å; I413-N460 VanDerWaalsContact O-CA 3.24Å; I413-N460 WeakPolarHBondContact O-CA 3.48Å; I413-N460 PolarHBondContact O-N 3.08Å; I413-E461 PolarHBondContact N-O 2.98Å; I413-E461 PolarHBondContact O-N 3Å; I413-L463 HydrophobicContact CD1-CD1 4.22Å; I413-L463 HydrophobicContact CG1-CD1 3.68Å; I413-L463 HydrophobicContact CG1-CG 4.06Å; I413-I479 HydrophobicContact CD1-CG2 4.3Å |
| 414 | I | 97.9 | Very high | 92.8 | Very high | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.138 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -64.5 | -173.1 | -60.5 | -179.6 | 0 | 0 | 0 | 109.3 | N397 T412 Y459 N460 E522 | N397-I414 PolarHBondContact O-N 3.07Å; T412-I414 HydrophobicContact CG2-CG1 4.44Å; T412-I414 PolarHBondContact O-N 3.05Å; I414-Y459 PolarHBondContact O-N 2.95Å; I414-N460 PolarHBondContact O-N 3.37Å; I414-N460 VanDerWaalsContact O-N 3.17Å; I414-E522 HydrophobicContact CD1-CG 3.9Å |
| 415 | K | 95.8 | Very high | 92 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 34% | 0.335 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 163.3 | -177.7 | 59.8 | -176 | 170.6 | 174.6 | 0 | 111.6 | N397 P457 T458 W524 | N397-K415 HydrophobicContact CB-CG 4.02Å; N397-K415 PolarHBondContact N-O 3.38Å; N397-K415 PolarHBondContact O-N 3.08Å; K415-P457 CarbonylContact C-O 3.57Å; K415-P457 WeakPolarHBondContact CA-O 3.45Å; K415-P457 WeakPolarHBondContact CB-O 3.46Å; K415-T458 HydrophobicContact CB-CG2 4.47Å; K415-W524 HydrophobicContact CD-CH2 4.15Å; K415-W524 HydrophobicContact CD-CZ2 4.49Å; K415-W524 VanDerWaalsContact CE-CZ2 3.48Å; K415-W524 HydrophobicContact CG-CH2 4.05Å |
| 416 | A | 96.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 159.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | E395 L396 L419 N456 P457 | E395-A416 CarbonylContact O-C 3.58Å; E395-A416 WeakPolarHBondContact O-CA 3.42Å; E395-A416 WeakPolarHBondContact O-CB 3.22Å; L396-A416 HydrophobicContact CD1-CB 3.82Å; A416-L419 HydrophobicContact CB-CD1 4.01Å; A416-L419 HydrophobicContact CB-CD2 3.87Å; A416-L419 HydrophobicContact CB-CG 3.98Å; A416-N456 CarbonylContact O-C 3.6Å; A416-N456 VanDerWaalsContact O-CA 3.26Å; A416-N456 WeakPolarHBondContact O-CA 3.42Å; A416-P457 HydrophobicContact CB-CG 3.9Å; A416-P457 PolarHBondContact N-O 3.05Å |
| 417 | T | 85.8 | Confident | 90.8 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 24% | 0.239 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 150.7 | 178.1 | 41.6 | 0 | 0 | 0 | 0 | 111.9 | G394 E395 L419 N456 W524 | G394-T417 CarbonylContact C-O 3.56Å; G394-T417 WeakPolarHBondContact CA-O 3.23Å; E395-T417 PolarHBondContact N-O 3.02Å; E395-T417 PolarHBondContact O-N 2.89Å; T417-L419 PolarHBondContact O-N 2.89Å; T417-N456 VanDerWaalsContact CA-OD1 3.25Å; T417-N456 WeakPolarHBondContact CA-OD1 3.5Å; T417-W524 HydrophobicContact CG2-CH2 3.99Å; T417-W524 HydrophobicContact CG2-CZ3 4.36Å; T417-W524 WeakPolarHBondContact OG1-CH2 3.4Å; T417-W524 WeakPolarHBondContact OG1-CZ3 3.41Å |
| 418 | N | 87.3 | Confident | 90.7 | Very high | 93 Ų | 93 | 44.5 Ų | 44.5 | 50% | 0.497 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 51.1 | 35.9 | -179.6 | -154.8 | 42.9 | 0 | 0 | 0 | 115 | D392 G394 L455 N456 | D392-N418 PolarHBondContact OD2-ND2 3.03Å; G394-N418 WeakPolarHBondContact CA-O 3.5Å; G394-N418 PolarHBondContact N-O 2.85Å; N418-L455 PolarHBondContact N-O 3.13Å; N418-N456 PolarHBondContact N-OD1 3.33Å |
| 419 | L | 91.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | trans | -58.5 | 141 | 179.1 | -66.7 | 179 | 0 | 0 | 0 | 111.5 | L393 A416 T417 A421 P430 L455 P457 V481 I493 L527 | L393-L419 WeakPolarHBondContact O-CA 3.4Å; A416-L419 HydrophobicContact CB-CD1 4.01Å; A416-L419 HydrophobicContact CB-CD2 3.87Å; A416-L419 HydrophobicContact CB-CG 3.98Å; T417-L419 PolarHBondContact O-N 2.89Å; L419-A421 PolarHBondContact O-N 3.29Å; L419-P430 HydrophobicContact CD1-CB 3.72Å; L419-P430 HydrophobicContact CD1-CG 3.93Å; L419-L455 HydrophobicContact CB-CB 4.35Å; L419-L455 WeakPolarHBondContact CB-O 3.25Å; L419-L455 PolarHBondContact N-O 3.5Å; L419-L455 WeakPolarHBondContact O-CD2 3.28Å; L419-P457 HydrophobicContact CD1-CG 3.72Å; L419-V481 HydrophobicContact CD1-CG1 3.97Å; L419-V481 HydrophobicContact CD2-CG1 4.06Å; L419-I493 HydrophobicContact CB-CG2 4.39Å; L419-I493 HydrophobicContact CD1-CD1 4.38Å; L419-I493 HydrophobicContact CD2-CG2 4.39Å; L419-L527 HydrophobicContact CD2-CD1 3.59Å | ||
| 420 | K | 88.2 | Confident | 90.6 | Very high | 69 Ų | 69 | 40.5 Ų | 40.5 | 30% | 0.3 | 22% | 0.224 | S | C | . | . | trans | -62.6 | 116.7 | 171.3 | 171.4 | -175 | 171.5 | -172.4 | 0 | 109.6 | L393 M422 S428 I493 | L393-K420 HydrophobicContact CD2-CB 4.37Å; L393-K420 HydrophobicContact CD2-CD 3.57Å; L393-K420 PolarHBondContact O-N 2.96Å; K420-M422 HydrophobicContact CB-SD 4.32Å; K420-M422 HydrophobicContact CD-SD 3.8Å; K420-M422 HydrophobicContact CG-SD 3.76Å; K420-M422 PolarHBondContact O-N 3.17Å; K420-S428 PolarHBondContact O-OG 3.35Å; K420-I493 HydrophobicContact CB-CG2 3.99Å; K420-I493 WeakPolarHBondContact O-CG2 3.35Å | ||
| 421 | A | 88.6 | Confident | 90.6 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 17% | 0.174 | 22% | 0.218 | C | C | . | . | trans | -59.4 | 108 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R355 L419 G426 F427 L455 | R355-A421 PolarHBondContact NH1-O 2.94Å; R355-A421 PolarHBondContact NH2-O 3.25Å; L419-A421 PolarHBondContact O-N 3.29Å; A421-G426 WeakPolarHBondContact CB-O 3.31Å; A421-F427 CarbonylContact C-O 3.59Å; A421-F427 VanDerWaalsContact C-O 3.3Å; A421-F427 WeakPolarHBondContact CA-O 3.41Å; A421-F427 WeakPolarHBondContact CB-O 3.49Å; A421-L455 HydrophobicContact CB-CD1 4.05Å; A421-L455 HydrophobicContact CB-CD2 3.79Å | ||
| 422 | M | 86.3 | Confident | 90.6 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | trans | -37.1 | -67 | 162.2 | 23.8 | -104.2 | -76.3 | 0 | 0 | 114.9 | R355 K420 F427 S428 D483 E491 I493 | R355-M422 PolarHBondContact NE-O 3.36Å; R355-M422 PolarHBondContact NH2-O 3.01Å; R355-M422 PolarHBondContact NH2-SD 2.86Å; K420-M422 HydrophobicContact CB-SD 4.32Å; K420-M422 HydrophobicContact CD-SD 3.8Å; K420-M422 HydrophobicContact CG-SD 3.76Å; K420-M422 PolarHBondContact O-N 3.17Å; M422-F427 PolarHBondContact N-O 2.94Å; M422-S428 PolarHBondContact N-OG 3.15Å; M422-D483 WeakPolarHBondContact CA-OD2 3.46Å; M422-D483 HydrophobicContact CB-CB 4.28Å; M422-D483 WeakPolarHBondContact CB-OD2 3.4Å; M422-D483 HydrophobicContact CG-CB 4.07Å; M422-D483 WeakPolarHBondContact CG-OD2 3.49Å; M422-E491 HydrophobicContact CE-CB 3.96Å; M422-E491 WeakPolarHBondContact CE-OE2 3.41Å; M422-I493 HydrophobicContact CG-CB 4.49Å; M422-I493 HydrophobicContact CG-CD1 4.2Å; M422-I493 HydrophobicContact CG-CG1 3.75Å; M422-I493 HydrophobicContact SD-CB 4.32Å; M422-I493 HydrophobicContact SD-CG1 4.22Å; M422-I493 HydrophobicContact SD-CG2 4.13Å | ||
| 423 | D | 83.3 | Confident | 90.6 | Very high | 48 Ų | 48 | 39.8 Ų | 39.8 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -82.4 | 158.9 | -157.3 | -71.2 | -59.5 | 0 | 0 | 0 | 114.8 | T425 G426 F427 S428 | D423-T425 HydrophobicContact CB-CG2 4.14Å; D423-T425 WeakPolarHBondContact CB-OG1 3.48Å; D423-T425 PolarHBondContact O-N 3.05Å; D423-T425 VanDerWaalsContact O-N 3.17Å; D423-G426 PolarHBondContact O-N 3.49Å; D423-G426 VanDerWaalsContact O-N 3.08Å; D423-F427 PolarHBondContact N-O 3.49Å; D423-S428 WeakPolarHBondContact OD2-CA 3.38Å |
| 424 | L | 74.7 | Confident | 90.6 | Very high | 163 Ų | 163 | 39.8 Ų | 39.8 | 85% | 0.853 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -14.2 | 161.2 | -62.3 | 178.5 | 0 | 0 | 0 | 113.3 | G426 | L424-G426 VanDerWaalsContact C-N 3.28Š|
| 425 | T | 77.7 | Confident | 90.6 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 53% | 0.528 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -16.9 | 173.2 | 67.3 | 0 | 0 | 0 | 0 | 113.1 | D423 F427 | D423-T425 HydrophobicContact CB-CG2 4.14Å; D423-T425 WeakPolarHBondContact CB-OG1 3.48Å; D423-T425 PolarHBondContact O-N 3.05Å; D423-T425 VanDerWaalsContact O-N 3.17Å; T425-F427 PolarHBondContact OG1-N 3.03Å |
| 426 | G | 79 | Confident | 90.6 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 43% | 0.433 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 84.9 | 12.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A421 D423 L424 | A421-G426 WeakPolarHBondContact CB-O 3.31Å; D423-G426 PolarHBondContact O-N 3.49Å; D423-G426 VanDerWaalsContact O-N 3.08Å; L424-G426 VanDerWaalsContact C-N 3.28Å |
| 427 | F | 88.3 | Confident | 90.5 | Very high | 85 Ų | 85 | 36 Ų | 36 | 37% | 0.373 | 20% | 0.2 | S | C | . | . | trans | -124.5 | -161.9 | 175.8 | -65.9 | -84.3 | 0 | 0 | 0 | 111.9 | A421 M422 D423 T425 N453 L455 | A421-F427 CarbonylContact C-O 3.59Å; A421-F427 VanDerWaalsContact C-O 3.3Å; A421-F427 WeakPolarHBondContact CA-O 3.41Å; A421-F427 WeakPolarHBondContact CB-O 3.49Å; M422-F427 PolarHBondContact N-O 2.94Å; D423-F427 PolarHBondContact N-O 3.49Å; T425-F427 PolarHBondContact OG1-N 3.03Å; F427-N453 HydrophobicContact CB-CB 4.38Å; F427-N453 WeakPolarHBondContact CD1-ND2 3.41Å; F427-N453 VanDerWaalsContact CD2-ND2 3.27Å; F427-N453 WeakPolarHBondContact CD2-ND2 3.43Å; F427-N453 WeakPolarHBondContact CD2-OD1 3.08Å; F427-N453 WeakPolarHBondContact CG-ND2 3.48Å; F427-L455 HydrophobicContact CD1-CG 4.38Å | ||
| 428 | S | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -148.8 | 158.4 | 173.4 | -80 | 0 | 0 | 0 | 0 | 108.7 | K420 M422 D423 P430 N453 T454 D483 | K420-S428 PolarHBondContact O-OG 3.35Å; M422-S428 PolarHBondContact N-OG 3.15Å; D423-S428 WeakPolarHBondContact OD2-CA 3.38Å; S428-P430 WeakPolarHBondContact O-CD 3.24Å; S428-N453 CarbonylContact O-C 3.44Å; S428-N453 WeakPolarHBondContact O-CA 3.3Å; S428-N453 PolarHBondContact O-N 3Å; S428-T454 PolarHBondContact O-N 3.15Å; S428-D483 WeakPolarHBondContact CA-OD2 3.48Å; S428-D483 WeakPolarHBondContact CB-OD2 3.5Å; S428-D483 PolarHBondContact OG-OD2 3.36Å | ||
| 429 | D | 96.4 | Very high | 90.6 | Very high | 20 Ų | 20 | 34 Ų | 34 | 11% | 0.107 | 19% | 0.188 | C | C | . | . | trans | -104.3 | 66.4 | 162.5 | -87.8 | 13 | 0 | 0 | 0 | 110.1 | I450 K451 K452 N453 D483 Y484 | D429-I450 HydrophobicContact CB-CG2 4.05Å; D429-I450 WeakPolarHBondContact O-CG2 3.43Å; D429-K451 CarbonylContact C-O 3.56Å; D429-K451 WeakPolarHBondContact CA-O 3.44Å; D429-K452 WeakPolarHBondContact OD1-CA 3.45Å; D429-K452 WeakPolarHBondContact OD1-CB 3.28Å; D429-K452 WeakPolarHBondContact OD2-CG 3.42Å; D429-K452 IonicContact OD2-NZ 2.78Å; D429-K452 PolarHBondContact OD2-NZ 2.92Å; D429-N453 PolarHBondContact OD1-N 3.15Å; D429-D483 WeakPolarHBondContact CA-OD1 3.44Å; D429-D483 PolarHBondContact N-OD1 3Å; D429-Y484 HydrophobicContact CB-CD1 4.46Å; D429-Y484 VanDerWaalsContact O-CB 3.31Å; D429-Y484 WeakPolarHBondContact O-CB 3.19Å; D429-Y484 PolarHBondContact O-N 2.05Å; D429-Y484 VanDerWaalsContact O-N 3.15Å | ||
| 430 | P | 97.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -70.8 | 146.2 | -166.9 | 30.8 | -39.8 | 0 | 0 | 0 | 115 | L419 S428 K451 T454 P457 Y459 V481 M482 I493 | L419-P430 HydrophobicContact CD1-CB 3.72Å; L419-P430 HydrophobicContact CD1-CG 3.93Å; S428-P430 WeakPolarHBondContact O-CD 3.24Å; P430-K451 WeakPolarHBondContact CD-O 3.23Å; P430-K451 VanDerWaalsContact N-O 3.13Å; P430-K451 PolarHBondContact O-N 2.87Å; P430-T454 VanDerWaalsContact CD-O 3.32Å; P430-T454 WeakPolarHBondContact CD-O 3.05Å; P430-T454 HydrophobicContact CG-CG2 4.09Å; P430-T454 WeakPolarHBondContact CG-O 3.45Å; P430-P457 HydrophobicContact CB-CG 4.24Å; P430-P457 HydrophobicContact CG-CB 3.88Å; P430-P457 HydrophobicContact CG-CG 3.64Å; P430-Y459 PolarHBondContact O-OH 3.3Å; P430-V481 HydrophobicContact CB-CG1 4.17Å; P430-M482 CarbonylContact C-O 3.13Å; P430-M482 VanDerWaalsContact CA-O 3.29Å; P430-M482 WeakPolarHBondContact CA-O 3.35Å; P430-I493 HydrophobicContact CB-CD1 4.13Å | ||
| 431 | Y | 98.6 | Very high | 90.1 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 158 | 162.9 | 72 | -86.6 | 0 | 0 | 0 | 111.6 | K433 K447 S449 I450 M482 D483 | Y431-K433 HydrophobicContact CE2-CB 4.34Å; Y431-K447 HydrophobicContact CD2-CD 3.94Å; Y431-K447 HydrophobicContact CD2-CG 4.31Å; Y431-K447 HydrophobicContact CE2-CD 3.54Å; Y431-K447 VanDerWaalsContact CE2-CE 3.41Å; Y431-K447 HydrophobicContact CE2-CG 4.15Å; Y431-K447 VanDerWaalsContact CZ-NZ 3.26Å; Y431-K447 PolarHBondContact OH-NZ 3.28Å; Y431-S449 WeakPolarHBondContact CB-O 3.33Å; Y431-I450 HydrophobicContact CD1-CG1 3.86Å; Y431-I450 HydrophobicContact CG-CG1 4.07Å; Y431-M482 HydrophobicContact CD1-CB 3.88Å; Y431-M482 HydrophobicContact CD2-CB 4.09Å; Y431-M482 HydrophobicContact CD2-CG 4.3Å; Y431-M482 HydrophobicContact CE1-CB 3.43Å; Y431-M482 VanDerWaalsContact CE1-CB 3.43Å; Y431-M482 HydrophobicContact CE1-CG 4.28Å; Y431-M482 HydrophobicContact CE2-CB 3.62Å; Y431-M482 HydrophobicContact CE2-CG 3.6Å; Y431-M482 HydrophobicContact CG-CB 4.2Å; Y431-M482 PolarHBondContact N-O 3.11Å; Y431-M482 PolarHBondContact O-N 2.76Å; Y431-D483 VanDerWaalsContact CE1-O 3.29Å; Y431-D483 WeakPolarHBondContact CE1-O 3.28Å |
| 432 | V | 98.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 138.6 | -178.1 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | L396 I413 K447 T448 Y459 I479 V481 | L396-V432 HydrophobicContact CD1-CG2 4.02Å; L396-V432 HydrophobicContact CD2-CG1 4.12Å; I413-V432 HydrophobicContact CD1-CG1 4Å; I413-V432 HydrophobicContact CG1-CB 4.39Å; I413-V432 HydrophobicContact CG1-CG1 4.1Å; I413-V432 HydrophobicContact CG2-CB 4.07Å; I413-V432 HydrophobicContact CG2-CG1 4.25Å; I413-V432 HydrophobicContact CG2-CG2 3.78Å; V432-K447 CarbonylContact O-C 3.38Å; V432-K447 VanDerWaalsContact O-CA 3.23Å; V432-K447 WeakPolarHBondContact O-CA 3.4Å; V432-T448 HydrophobicContact CB-CG2 3.95Å; V432-T448 PolarHBondContact N-OG1 2.88Å; V432-T448 PolarHBondContact O-N 2.81Å; V432-Y459 HydrophobicContact CG2-CD2 4.43Å; V432-Y459 HydrophobicContact CG2-CE1 4.4Å; V432-Y459 HydrophobicContact CG2-CE2 3.75Å; V432-I479 HydrophobicContact CG1-CG2 3.34Å; V432-V481 HydrophobicContact CG2-CG2 4.21Å |
| 433 | K | 98.4 | Very high | 90.6 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 94.9 | -175.9 | -179.1 | -169.9 | 75.3 | -163.1 | 0 | 109.6 | Y431 K447 A480 M482 | Y431-K433 HydrophobicContact CE2-CB 4.34Å; K433-K447 HydrophobicContact CB-CG 4.48Å; K433-K447 HydrophobicContact CG-CG 4.47Å; K433-A480 PolarHBondContact N-O 3.14Å; K433-A480 PolarHBondContact O-N 2.83Å; K433-A480 VanDerWaalsContact O-N 3.07Å; K433-M482 HydrophobicContact CB-CG 3.89Å; K433-M482 HydrophobicContact CD-CG 4.2Å; K433-M482 HydrophobicContact CD-SD 4.1Å; K433-M482 PolarHBondContact NZ-SD 3.11Å |
| 434 | A | 98.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K445 R446 L463 F465 I477 I479 | A434-K445 WeakPolarHBondContact O-CA 3.46Å; A434-R446 PolarHBondContact N-O 2.84Å; A434-R446 PolarHBondContact O-N 2.87Å; A434-L463 HydrophobicContact CB-CD1 3.67Å; A434-F465 HydrophobicContact CB-CE2 4.11Å; A434-F465 HydrophobicContact CB-CZ 3.77Å; A434-I477 HydrophobicContact CB-CG2 4.08Å; A434-I479 HydrophobicContact CB-CG1 4.26Å |
| 435 | S | 97.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 117.8 | -176.1 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | K444 I477 I478 | S435-K444 WeakPolarHBondContact CA-O 3.21Å; S435-I477 WeakPolarHBondContact O-CA 3.41Å; S435-I478 PolarHBondContact N-O 2.88Å; S435-I478 PolarHBondContact O-N 3.43Å |
| 436 | L | 96.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 127 | 173.9 | 179.4 | 65.3 | 0 | 0 | 0 | 109.8 | R442 L443 K444 F465 I467 V475 I477 | L436-R442 CarbonylContact O-C 3.48Å; L436-R442 WeakPolarHBondContact O-CA 3.32Å; L436-L443 HydrophobicContact CD2-CB 4.49Å; L436-L443 PolarHBondContact O-N 3.34Å; L436-K444 HydrophobicContact CB-CB 4.4Å; L436-K444 PolarHBondContact N-O 2.85Å; L436-F465 HydrophobicContact CB-CD1 3.79Å; L436-F465 HydrophobicContact CB-CE1 3.93Å; L436-F465 HydrophobicContact CD2-CD1 4.31Å; L436-I467 HydrophobicContact CD1-CD1 3.64Å; L436-I467 HydrophobicContact CD1-CG1 4.37Å; L436-I467 HydrophobicContact CD2-CD1 4.14Å; L436-I467 HydrophobicContact CD2-CG1 3.99Å; L436-V475 HydrophobicContact CD1-CB 3.89Å; L436-V475 HydrophobicContact CD1-CG1 4.29Å; L436-V475 HydrophobicContact CD1-CG2 4.21Å; L436-I477 HydrophobicContact CD1-CG1 4.21Å |
| 437 | I | 94.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.067 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 135.9 | -177.7 | -44.4 | -59.5 | 0 | 0 | 0 | 109.5 | R441 R442 V475 S476 I478 | I437-R441 CarbonylContact C-O 3.59Å; I437-R441 VanDerWaalsContact CA-O 3.31Å; I437-R441 WeakPolarHBondContact CA-O 3.4Å; I437-R442 HydrophobicContact CD1-CB 3.71Å; I437-R442 HydrophobicContact CD1-CG 4.01Å; I437-V475 VanDerWaalsContact O-CA 3.28Å; I437-V475 WeakPolarHBondContact O-CA 3.44Å; I437-S476 PolarHBondContact N-O 3.48Å; I437-S476 PolarHBondContact O-N 3.14Å; I437-I478 HydrophobicContact CD1-CD1 4.22Å; I437-I478 HydrophobicContact CG1-CD1 3.89Å; I437-I478 HydrophobicContact CG1-CG1 3.95Å |
| 438 | C | 91.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.6 | 168.1 | -165.6 | 0 | 0 | 0 | 0 | 107.8 | G440 R441 L443 V475 | C438-G440 PolarHBondContact O-N 3.47Å; C438-G440 VanDerWaalsContact O-N 3.15Å; C438-R441 PolarHBondContact N-O 2.87Å; C438-R441 WeakPolarHBondContact O-CA 3.41Å; C438-R441 WeakPolarHBondContact O-CB 3.35Å; C438-R441 PolarHBondContact O-N 2.91Å; C438-L443 HydrophobicContact CB-CD1 3.6Å; C438-L443 HydrophobicContact CB-CD2 4.49Å; C438-L443 HydrophobicContact CB-CG 4.05Å; C438-V475 HydrophobicContact CB-CG1 4.02Å |
| 439 | D | 85.3 | Confident | 94.8 | Very high | 87 Ų | 87 | 52.8 Ų | 52.8 | 47% | 0.465 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 39.7 | 178.4 | -47.6 | -58.9 | 0 | 0 | 0 | 114 | R441 | D439-R441 PolarHBondContact O-N 2.85Š|
| 440 | G | 80.7 | Confident | 94.9 | Very high | 30 Ų | 30 | 55.1 Ų | 55.1 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -6.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | C438 | C438-G440 PolarHBondContact O-N 3.47Å; C438-G440 VanDerWaalsContact O-N 3.15Å |
| 441 | R | 87 | Confident | 94.9 | Very high | 194 Ų | 194 | 57.9 Ų | 57.9 | 73% | 0.732 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.2 | -176.8 | -59.1 | 179 | -177.9 | -160.7 | -1 | 111.7 | I437 C438 D439 L443 | I437-R441 CarbonylContact C-O 3.59Å; I437-R441 VanDerWaalsContact CA-O 3.31Å; I437-R441 WeakPolarHBondContact CA-O 3.4Å; C438-R441 PolarHBondContact N-O 2.87Å; C438-R441 WeakPolarHBondContact O-CA 3.41Å; C438-R441 WeakPolarHBondContact O-CB 3.35Å; C438-R441 PolarHBondContact O-N 2.91Å; D439-R441 PolarHBondContact O-N 2.85Å; R441-L443 PolarHBondContact O-N 2.88Å |
| 442 | R | 92.6 | Very high | 94.8 | Very high | 166 Ų | 166 | 64.1 Ų | 64.1 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 110.2 | 176.5 | -179.7 | 172.7 | 61.1 | -151.4 | -4.5 | 111.3 | L436 I437 | L436-R442 CarbonylContact O-C 3.48Å; L436-R442 WeakPolarHBondContact O-CA 3.32Å; I437-R442 HydrophobicContact CD1-CB 3.71Å; I437-R442 HydrophobicContact CD1-CG 4.01Å |
| 443 | L | 92.8 | Very high | 94.5 | Very high | 63 Ų | 63 | 67.9 Ų | 67.9 | 33% | 0.33 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -45.3 | -177 | -57 | -173.5 | 0 | 0 | 0 | 113.4 | L436 C438 R441 I550 | L436-L443 HydrophobicContact CD2-CB 4.49Å; L436-L443 PolarHBondContact O-N 3.34Å; C438-L443 HydrophobicContact CB-CD1 3.6Å; C438-L443 HydrophobicContact CB-CD2 4.49Å; C438-L443 HydrophobicContact CB-CG 4.05Å; R441-L443 PolarHBondContact O-N 2.88Å; L443-I550 HydrophobicContact CD1-CD1 3.75Å; L443-I550 HydrophobicContact CD1-CG2 4.38Å |
| 444 | K | 94.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 67.7 Ų | 67.7 | 24% | 0.243 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152 | -178 | -147.7 | 82.2 | 173.3 | -171 | 0 | 110.5 | S435 L436 F465 V552 | S435-K444 WeakPolarHBondContact CA-O 3.21Å; L436-K444 HydrophobicContact CB-CB 4.4Å; L436-K444 PolarHBondContact N-O 2.85Å; K444-F465 HydrophobicContact CB-CD1 4.36Å; K444-F465 HydrophobicContact CB-CE1 4.48Å; K444-V552 HydrophobicContact CD-CG1 3.65Å |
| 445 | K | 96.6 | Very high | 93.8 | Very high | 149 Ų | 149 | 69.4 Ų | 69.4 | 65% | 0.648 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 141.1 | 174.1 | 65.5 | -173.9 | 179.8 | -175.3 | 0 | 110.1 | A434 | A434-K445 WeakPolarHBondContact O-CA 3.46Å |
| 446 | R | 98.4 | Very high | 93.6 | Very high | 88 Ų | 88 | 73.5 Ų | 73.5 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 153.6 | 169.5 | -58.5 | -63.9 | -171 | -158.8 | 4.3 | 108.4 | A434 L463 V464 F465 | A434-R446 PolarHBondContact N-O 2.84Å; A434-R446 PolarHBondContact O-N 2.87Å; R446-L463 HydrophobicContact CB-CB 3.93Å; R446-L463 HydrophobicContact CB-CD1 4.18Å; R446-L463 HydrophobicContact CB-CD2 4.14Å; R446-L463 HydrophobicContact CB-CG 4.3Å; R446-L463 HydrophobicContact CG-CB 4.4Å; R446-V464 PolarHBondContact NE-O 2.92Å; R446-V464 PolarHBondContact NH2-O 3.38Å; R446-F465 HydrophobicContact CB-CE1 4.39Å; R446-F465 HydrophobicContact CB-CE2 4.46Å; R446-F465 HydrophobicContact CB-CZ 3.88Å; R446-F465 HydrophobicContact CG-CD1 4.3Å; R446-F465 HydrophobicContact CG-CE1 3.67Å; R446-F465 HydrophobicContact CG-CE2 4.06Å; R446-F465 HydrophobicContact CG-CZ 3.53Å |
| 447 | K | 98.3 | Very high | 93.7 | Very high | 114 Ų | 114 | 73.2 Ų | 73.2 | 50% | 0.496 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 151.7 | 176.6 | -72.5 | -170.4 | 175.5 | -160.4 | 0 | 110.2 | Y431 V432 K433 L463 | Y431-K447 HydrophobicContact CD2-CD 3.94Å; Y431-K447 HydrophobicContact CD2-CG 4.31Å; Y431-K447 HydrophobicContact CE2-CD 3.54Å; Y431-K447 VanDerWaalsContact CE2-CE 3.41Å; Y431-K447 HydrophobicContact CE2-CG 4.15Å; Y431-K447 VanDerWaalsContact CZ-NZ 3.26Å; Y431-K447 PolarHBondContact OH-NZ 3.28Å; V432-K447 CarbonylContact O-C 3.38Å; V432-K447 VanDerWaalsContact O-CA 3.23Å; V432-K447 WeakPolarHBondContact O-CA 3.4Å; K433-K447 HydrophobicContact CB-CG 4.48Å; K433-K447 HydrophobicContact CG-CG 4.47Å; K447-L463 WeakPolarHBondContact O-CD2 3.47Å |
| 448 | T | 98.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 76.2 Ų | 76.2 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 173.8 | 162.3 | 64.1 | 0 | 0 | 0 | 0 | 111 | I413 V432 Y459 E461 L463 | I413-T448 HydrophobicContact CB-CG2 3.9Å; I413-T448 HydrophobicContact CG1-CG2 3.85Å; I413-T448 HydrophobicContact CG2-CG2 4.12Å; V432-T448 HydrophobicContact CB-CG2 3.95Å; V432-T448 PolarHBondContact N-OG1 2.88Å; V432-T448 PolarHBondContact O-N 2.81Å; T448-Y459 HydrophobicContact CG2-CD1 4.08Å; T448-Y459 HydrophobicContact CG2-CG 4.32Å; T448-Y459 WeakPolarHBondContact OG1-CD1 3.43Å; T448-Y459 WeakPolarHBondContact OG1-CE1 3.06Å; T448-E461 WeakPolarHBondContact CA-OE2 3.21Å; T448-E461 VanDerWaalsContact CB-OE2 3.29Å; T448-E461 WeakPolarHBondContact CB-OE2 3.14Å; T448-E461 HydrophobicContact CG2-CB 4.04Å; T448-L463 HydrophobicContact CG2-CD1 4.33Å; T448-L463 HydrophobicContact CG2-CD2 4.36Å |
| 449 | S | 98.4 | Very high | 94.2 | Very high | 51 Ų | 51 | 76.8 Ų | 76.8 | 36% | 0.357 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -62 | 161.1 | 158.1 | 71.3 | 0 | 0 | 0 | 0 | 112 | Y431 K451 Y459 E461 | Y431-S449 WeakPolarHBondContact CB-O 3.33Å; S449-K451 PolarHBondContact OG-NZ 3.07Å; S449-Y459 WeakPolarHBondContact O-CE1 3.22Å; S449-E461 PolarHBondContact N-OE2 2.88Å; S449-E461 PolarHBondContact OG-OE1 2.89Å |
| 450 | I | 98.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 77.9 Ų | 77.9 | 36% | 0.359 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 132.6 | 173.9 | -63.6 | 153.5 | 0 | 0 | 0 | 108.6 | D429 Y431 Y484 | D429-I450 HydrophobicContact CB-CG2 4.05Å; D429-I450 WeakPolarHBondContact O-CG2 3.43Å; Y431-I450 HydrophobicContact CD1-CG1 3.86Å; Y431-I450 HydrophobicContact CG-CG1 4.07Å; I450-Y484 HydrophobicContact CD1-CD1 4.06Å; I450-Y484 HydrophobicContact CD1-CD2 3.62Å; I450-Y484 HydrophobicContact CD1-CE2 4.19Å; I450-Y484 HydrophobicContact CD1-CG 3.59Å; I450-Y484 HydrophobicContact CG1-CG 4.26Å; I450-Y484 HydrophobicContact CG2-CD1 4.37Å; I450-Y484 HydrophobicContact CG2-CG 4.3Å |
| 451 | K | 97.6 | Very high | 95.6 | Very high | 57 Ų | 57 | 78.6 Ų | 78.6 | 25% | 0.248 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -103.4 | 136.8 | 166.7 | -51.8 | -46 | -171.2 | -158.6 | 0 | 107.8 | D429 P430 S449 T454 P457 T458 Y459 E461 | D429-K451 CarbonylContact C-O 3.56Å; D429-K451 WeakPolarHBondContact CA-O 3.44Å; P430-K451 WeakPolarHBondContact CD-O 3.23Å; P430-K451 VanDerWaalsContact N-O 3.13Å; P430-K451 PolarHBondContact O-N 2.87Å; S449-K451 PolarHBondContact OG-NZ 3.07Å; K451-T454 HydrophobicContact CB-CG2 3.84Å; K451-P457 HydrophobicContact CB-CB 3.93Å; K451-P457 HydrophobicContact CG-CB 3.82Å; K451-T458 WeakPolarHBondContact CE-O 3.34Å; K451-Y459 HydrophobicContact CD-CD1 4.42Å; K451-Y459 HydrophobicContact CG-CD1 4.08Å; K451-Y459 HydrophobicContact CG-CE1 3.82Å; K451-E461 IonicContact NZ-OE1 3.35Å; K451-E461 PolarHBondContact NZ-OE1 3.2Å; K451-E461 VanDerWaalsContact NZ-OE1 3.1Å |
| 452 | K | 96 | Very high | 96.2 | Very high | 141 Ų | 141 | 72.3 Ų | 72.3 | 61% | 0.613 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -95 | 148.5 | -173.8 | -65.9 | -162.1 | 163.2 | -95.6 | 0 | 113.6 | D429 T454 | D429-K452 WeakPolarHBondContact OD1-CA 3.45Å; D429-K452 WeakPolarHBondContact OD1-CB 3.28Å; D429-K452 WeakPolarHBondContact OD2-CG 3.42Å; D429-K452 IonicContact OD2-NZ 2.78Å; D429-K452 PolarHBondContact OD2-NZ 2.92Å; K452-T454 PolarHBondContact O-N 3Å |
| 453 | N | 92.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 65 Ų | 65 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 42.6 | 54.2 | 171.6 | -164.7 | 98.2 | 0 | 0 | 0 | 113.1 | F427 S428 D429 | F427-N453 HydrophobicContact CB-CB 4.38Å; F427-N453 WeakPolarHBondContact CD1-ND2 3.41Å; F427-N453 VanDerWaalsContact CD2-ND2 3.27Å; F427-N453 WeakPolarHBondContact CD2-ND2 3.43Å; F427-N453 WeakPolarHBondContact CD2-OD1 3.08Å; F427-N453 WeakPolarHBondContact CG-ND2 3.48Å; S428-N453 CarbonylContact O-C 3.44Å; S428-N453 WeakPolarHBondContact O-CA 3.3Å; S428-N453 PolarHBondContact O-N 3Å; D429-N453 PolarHBondContact OD1-N 3.15Å |
| 454 | T | 91 | Very high | 96.7 | Very high | 35 Ų | 35 | 64.3 Ų | 64.3 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | trans | -149.2 | 139.1 | -176.6 | -176.2 | 0 | 0 | 0 | 0 | 113.5 | S428 P430 K451 K452 N456 P457 | S428-T454 PolarHBondContact O-N 3.15Å; P430-T454 VanDerWaalsContact CD-O 3.32Å; P430-T454 WeakPolarHBondContact CD-O 3.05Å; P430-T454 HydrophobicContact CG-CG2 4.09Å; P430-T454 WeakPolarHBondContact CG-O 3.45Å; K451-T454 HydrophobicContact CB-CG2 3.84Å; K452-T454 PolarHBondContact O-N 3Å; T454-N456 PolarHBondContact OG1-N 3.43Å; T454-N456 VanDerWaalsContact OG1-N 3.15Å; T454-P457 HydrophobicContact CG2-CB 3.95Å | ||
| 455 | L | 91.8 | Very high | 96.8 | Very high | 36 Ų | 36 | 61.7 Ų | 61.7 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -99.7 | -1 | 172.8 | -51.5 | -176.6 | 0 | 0 | 0 | 112.7 | N418 L419 A421 F427 P457 | N418-L455 PolarHBondContact N-O 3.13Å; L419-L455 HydrophobicContact CB-CB 4.35Å; L419-L455 WeakPolarHBondContact CB-O 3.25Å; L419-L455 PolarHBondContact N-O 3.5Å; L419-L455 WeakPolarHBondContact O-CD2 3.28Å; A421-L455 HydrophobicContact CB-CD1 4.05Å; A421-L455 HydrophobicContact CB-CD2 3.79Å; F427-L455 HydrophobicContact CD1-CG 4.38Å; L455-P457 VanDerWaalsContact C-CD 3.46Å |
| 456 | N | 92.8 | Very high | 96.9 | Very high | 91 Ų | 91 | 59.5 Ų | 59.5 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -133.3 | 57.4 | -178.9 | -59.2 | -79.5 | 0 | 0 | 0 | 111 | A416 T417 N418 T454 | A416-N456 CarbonylContact O-C 3.6Å; A416-N456 VanDerWaalsContact O-CA 3.26Å; A416-N456 WeakPolarHBondContact O-CA 3.42Å; T417-N456 VanDerWaalsContact CA-OD1 3.25Å; T417-N456 WeakPolarHBondContact CA-OD1 3.5Å; N418-N456 PolarHBondContact N-OD1 3.33Å; T454-N456 PolarHBondContact OG1-N 3.43Å; T454-N456 VanDerWaalsContact OG1-N 3.15Å |
| 457 | P | 97.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | trans | -68.8 | 140.8 | -176 | 30.6 | -37.8 | 0 | 0 | 0 | 112.2 | K415 A416 L419 P430 K451 T454 L455 Y459 | K415-P457 CarbonylContact C-O 3.57Å; K415-P457 WeakPolarHBondContact CA-O 3.45Å; K415-P457 WeakPolarHBondContact CB-O 3.46Å; A416-P457 HydrophobicContact CB-CG 3.9Å; A416-P457 PolarHBondContact N-O 3.05Å; L419-P457 HydrophobicContact CD1-CG 3.72Å; P430-P457 HydrophobicContact CB-CG 4.24Å; P430-P457 HydrophobicContact CG-CB 3.88Å; P430-P457 HydrophobicContact CG-CG 3.64Å; K451-P457 HydrophobicContact CB-CB 3.93Å; K451-P457 HydrophobicContact CG-CB 3.82Å; T454-P457 HydrophobicContact CG2-CB 3.95Å; L455-P457 VanDerWaalsContact C-CD 3.46Å; P457-Y459 HydrophobicContact CB-CE1 4.39Å; P457-Y459 HydrophobicContact CB-CE2 3.77Å; P457-Y459 HydrophobicContact CG-CE2 3.67Å; P457-Y459 WeakPolarHBondContact CG-OH 3.39Å | ||
| 458 | T | 98.1 | Very high | 96.6 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 47% | 0.466 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.8 | 167.8 | -63.1 | 0 | 0 | 0 | 0 | 108.9 | K415 K451 | K415-T458 HydrophobicContact CB-CG2 4.47Å; K451-T458 WeakPolarHBondContact CE-O 3.34Å |
| 459 | Y | 98.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -58.9 | -175.2 | -56.5 | -88.1 | 0 | 0 | 0 | 111.5 | I413 I414 P430 V432 T448 S449 K451 P457 E461 | I413-Y459 HydrophobicContact CG2-CD2 3.64Å; I413-Y459 HydrophobicContact CG2-CE2 4.22Å; I413-Y459 HydrophobicContact CG2-CG 4.05Å; I414-Y459 PolarHBondContact O-N 2.95Å; P430-Y459 PolarHBondContact O-OH 3.3Å; V432-Y459 HydrophobicContact CG2-CD2 4.43Å; V432-Y459 HydrophobicContact CG2-CE1 4.4Å; V432-Y459 HydrophobicContact CG2-CE2 3.75Å; T448-Y459 HydrophobicContact CG2-CD1 4.08Å; T448-Y459 HydrophobicContact CG2-CG 4.32Å; T448-Y459 WeakPolarHBondContact OG1-CD1 3.43Å; T448-Y459 WeakPolarHBondContact OG1-CE1 3.06Å; S449-Y459 WeakPolarHBondContact O-CE1 3.22Å; K451-Y459 HydrophobicContact CD-CD1 4.42Å; K451-Y459 HydrophobicContact CG-CD1 4.08Å; K451-Y459 HydrophobicContact CG-CE1 3.82Å; P457-Y459 HydrophobicContact CB-CE1 4.39Å; P457-Y459 HydrophobicContact CB-CE2 3.77Å; P457-Y459 HydrophobicContact CG-CE2 3.67Å; P457-Y459 WeakPolarHBondContact CG-OH 3.39Å; Y459-E461 VanDerWaalsContact C-N 3.32Å |
| 460 | N | 97.8 | Very high | 96.2 | Very high | 110 Ų | 110 | 61.9 Ų | 61.9 | 59% | 0.588 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 40.9 | -168.3 | -56.6 | -40.5 | 0 | 0 | 0 | 113.3 | I413 I414 | I413-N460 CarbonylContact O-C 3.58Å; I413-N460 VanDerWaalsContact O-CA 3.24Å; I413-N460 WeakPolarHBondContact O-CA 3.48Å; I413-N460 PolarHBondContact O-N 3.08Å; I414-N460 PolarHBondContact O-N 3.37Å; I414-N460 VanDerWaalsContact O-N 3.17Å |
| 461 | E | 98.7 | Very high | 95.9 | Very high | 45 Ų | 45 | 59.2 Ų | 59.2 | 21% | 0.21 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124 | -171.1 | -71 | 175.8 | -127.8 | 0 | 0 | 112 | T412 I413 T448 S449 K451 Y459 | T412-E461 WeakPolarHBondContact CA-O 3.3Å; I413-E461 PolarHBondContact N-O 2.98Å; I413-E461 PolarHBondContact O-N 3Å; T448-E461 WeakPolarHBondContact CA-OE2 3.21Å; T448-E461 VanDerWaalsContact CB-OE2 3.29Å; T448-E461 WeakPolarHBondContact CB-OE2 3.14Å; T448-E461 HydrophobicContact CG2-CB 4.04Å; S449-E461 PolarHBondContact N-OE2 2.88Å; S449-E461 PolarHBondContact OG-OE1 2.89Å; K451-E461 IonicContact NZ-OE1 3.35Å; K451-E461 PolarHBondContact NZ-OE1 3.2Å; K451-E461 VanDerWaalsContact NZ-OE1 3.1Å; Y459-E461 VanDerWaalsContact C-N 3.32Å |
| 462 | A | 98.4 | Very high | 95.8 | Very high | 63 Ų | 63 | 56.9 Ų | 56.9 | 52% | 0.521 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 112.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T410 | T410-A462 HydrophobicContact CG2-CB 3.98Å |
| 463 | L | 98.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 110 | 176.4 | -51.9 | -174.6 | 0 | 0 | 0 | 109.7 | A411 I413 A434 R446 K447 T448 F465 | A411-L463 PolarHBondContact N-O 2.94Å; A411-L463 WeakPolarHBondContact O-CB 3.22Å; A411-L463 PolarHBondContact O-N 2.94Å; I413-L463 HydrophobicContact CD1-CD1 4.22Å; I413-L463 HydrophobicContact CG1-CD1 3.68Å; I413-L463 HydrophobicContact CG1-CG 4.06Å; A434-L463 HydrophobicContact CB-CD1 3.67Å; R446-L463 HydrophobicContact CB-CB 3.93Å; R446-L463 HydrophobicContact CB-CD1 4.18Å; R446-L463 HydrophobicContact CB-CD2 4.14Å; R446-L463 HydrophobicContact CB-CG 4.3Å; R446-L463 HydrophobicContact CG-CB 4.4Å; K447-L463 WeakPolarHBondContact O-CD2 3.47Å; T448-L463 HydrophobicContact CG2-CD1 4.33Å; T448-L463 HydrophobicContact CG2-CD2 4.36Å; L463-F465 HydrophobicContact CB-CE2 4.1Å |
| 464 | V | 98.2 | Very high | 95.5 | Very high | 49 Ų | 49 | 56.1 Ų | 56.1 | 30% | 0.297 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 134.3 | -173.4 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | R408 T410 R446 | R408-V464 HydrophobicContact CG-CG1 3.76Å; T410-V464 HydrophobicContact CG2-CG2 4.39Å; R446-V464 PolarHBondContact NE-O 2.92Å; R446-V464 PolarHBondContact NH2-O 3.38Å |
| 465 | F | 97.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.6 | 176.9 | -60.5 | -91.7 | 0 | 0 | 0 | 110.2 | L409 A434 L436 K444 R446 L463 I467 I477 | L409-F465 HydrophobicContact CB-CB 4.46Å; L409-F465 PolarHBondContact N-O 2.98Å; L409-F465 PolarHBondContact O-N 3Å; A434-F465 HydrophobicContact CB-CE2 4.11Å; A434-F465 HydrophobicContact CB-CZ 3.77Å; L436-F465 HydrophobicContact CB-CD1 3.79Å; L436-F465 HydrophobicContact CB-CE1 3.93Å; L436-F465 HydrophobicContact CD2-CD1 4.31Å; K444-F465 HydrophobicContact CB-CD1 4.36Å; K444-F465 HydrophobicContact CB-CE1 4.48Å; R446-F465 HydrophobicContact CB-CE1 4.39Å; R446-F465 HydrophobicContact CB-CE2 4.46Å; R446-F465 HydrophobicContact CB-CZ 3.88Å; R446-F465 HydrophobicContact CG-CD1 4.3Å; R446-F465 HydrophobicContact CG-CE1 3.67Å; R446-F465 HydrophobicContact CG-CE2 4.06Å; R446-F465 HydrophobicContact CG-CZ 3.53Å; L463-F465 HydrophobicContact CB-CE2 4.1Å; F465-I467 HydrophobicContact CB-CD1 4.02Å; F465-I467 HydrophobicContact CB-CG1 4.11Å; F465-I477 HydrophobicContact CD2-CD1 4.04Å; F465-I477 HydrophobicContact CE2-CD1 4.08Å |
| 466 | D | 96.9 | Very high | 95.9 | Very high | 102 Ų | 102 | 53 Ų | 53 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 116.1 | 177.8 | -45.3 | -73.8 | 0 | 0 | 0 | 107.6 | G407 | G407-D466 CarbonylContact O-C 3.51Å; G407-D466 WeakPolarHBondContact O-CA 3.24Å |
| 467 | I | 96 | Very high | 96.1 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | trans | -142.7 | 106.1 | -168.9 | -53.1 | 177 | 0 | 0 | 0 | 107.9 | Y402 G407 L409 L436 F465 N471 I472 V475 | Y402-I467 HydrophobicContact CE2-CB 4.49Å; Y402-I467 PolarHBondContact OH-O 2.95Å; G407-I467 CarbonylContact C-O 3.48Å; G407-I467 WeakPolarHBondContact CA-O 3.45Å; G407-I467 CarbonylContact O-C 3.37Å; G407-I467 PolarHBondContact O-N 3.25Å; G407-I467 VanDerWaalsContact O-O 3.05Å; L409-I467 HydrophobicContact CB-CD1 3.83Å; L409-I467 HydrophobicContact CD2-CD1 3.68Å; L409-I467 HydrophobicContact CG-CD1 4.38Å; L436-I467 HydrophobicContact CD1-CD1 3.64Å; L436-I467 HydrophobicContact CD1-CG1 4.37Å; L436-I467 HydrophobicContact CD2-CD1 4.14Å; L436-I467 HydrophobicContact CD2-CG1 3.99Å; F465-I467 HydrophobicContact CB-CD1 4.02Å; F465-I467 HydrophobicContact CB-CG1 4.11Å; I467-N471 HydrophobicContact CG2-CB 4.44Å; I467-I472 HydrophobicContact CB-CD1 4.38Å; I467-I472 HydrophobicContact CD1-CD1 4.31Å; I467-I472 HydrophobicContact CG2-CD1 3.82Å; I467-V475 HydrophobicContact CD1-CG2 4.28Å; I467-V475 HydrophobicContact CG2-CG2 4.01Å | ||
| 468 | P | 95.4 | Very high | 96 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 34% | 0.338 | 27% | 0.273 | S | S | . | . | trans | -56 | 148 | 174.4 | -25.6 | 35.6 | 0 | 0 | 0 | 112.4 | E470 N471 I472 | P468-E470 HydrophobicContact CB-CG 3.9Å; P468-E470 PolarHBondContact O-N 3.37Å; P468-N471 PolarHBondContact O-N 3.42Å; P468-I472 PolarHBondContact O-N 2.99Å | ||
| 469 | N | 94.4 | Very high | 96 | Very high | 89 Ų | 89 | 46 Ų | 46 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -62.7 | -30.9 | -175.4 | -171.7 | 89.5 | 0 | 0 | 0 | 112.8 | Y402 P404 N471 I472 | Y402-N469 VanDerWaalsContact OH-CA 3.23Å; Y402-N469 WeakPolarHBondContact OH-CA 3.23Å; Y402-N469 PolarHBondContact OH-N 3Å; P404-N469 WeakPolarHBondContact CB-OD1 3.25Å; N469-N471 PolarHBondContact O-N 3.19Å; N469-I472 WeakPolarHBondContact O-CG2 3.38Å; N469-I472 PolarHBondContact O-N 3.48Å |
| 470 | E | 93.9 | Very high | 96 | Very high | 170 Ų | 170 | 45.4 Ų | 45.4 | 79% | 0.794 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -65.3 | -12.9 | 172.2 | 62.1 | -165.4 | -118.7 | 0 | 0 | 114.7 | P468 | P468-E470 HydrophobicContact CB-CG 3.9Å; P468-E470 PolarHBondContact O-N 3.37Å |
| 471 | N | 93 | Very high | 96 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 8% | 0.08 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -112.9 | -3.9 | 178.9 | -50.6 | 129 | 0 | 0 | 0 | 113.6 | I467 P468 N469 E473 S474 V475 I550 | I467-N471 HydrophobicContact CG2-CB 4.44Å; P468-N471 PolarHBondContact O-N 3.42Å; N469-N471 PolarHBondContact O-N 3.19Å; N471-E473 PolarHBondContact O-N 2.83Å; N471-S474 PolarHBondContact O-N 2.86Å; N471-S474 PolarHBondContact O-OG 2.94Å; N471-V475 WeakPolarHBondContact O-CG1 3.32Å; N471-V475 WeakPolarHBondContact O-CG2 3.43Å; N471-V475 PolarHBondContact O-N 2.96Å; N471-I550 HydrophobicContact CB-CD1 4.13Å |
| 472 | I | 94 | Very high | 95.9 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -66.1 | -23.6 | -173.3 | -160.6 | 61.1 | 0 | 0 | 0 | 113.1 | Y402 I467 P468 N469 V475 W510 L514 | Y402-I472 HydrophobicContact CD1-CD1 4.4Å; Y402-I472 HydrophobicContact CD1-CG1 4.06Å; Y402-I472 HydrophobicContact CD2-CD1 3.84Å; Y402-I472 HydrophobicContact CD2-CG1 4.4Å; Y402-I472 HydrophobicContact CE1-CB 4.16Å; Y402-I472 HydrophobicContact CE1-CD1 4.25Å; Y402-I472 HydrophobicContact CE1-CG1 3.85Å; Y402-I472 HydrophobicContact CE1-CG2 4.36Å; Y402-I472 HydrophobicContact CE2-CD1 3.68Å; Y402-I472 HydrophobicContact CE2-CG1 4.22Å; Y402-I472 HydrophobicContact CG-CD1 4.22Å; Y402-I472 HydrophobicContact CG-CG1 4.35Å; I467-I472 HydrophobicContact CB-CD1 4.38Å; I467-I472 HydrophobicContact CD1-CD1 4.31Å; I467-I472 HydrophobicContact CG2-CD1 3.82Å; P468-I472 PolarHBondContact O-N 2.99Å; N469-I472 WeakPolarHBondContact O-CG2 3.38Å; N469-I472 PolarHBondContact O-N 3.48Å; I472-V475 HydrophobicContact CD1-CG2 4.31Å; I472-W510 HydrophobicContact CD1-CH2 4.24Å; I472-W510 HydrophobicContact CD1-CZ2 3.87Å; I472-W510 HydrophobicContact CG1-CZ2 4.26Å; I472-L514 HydrophobicContact CG1-CD2 3.75Å; I472-L514 HydrophobicContact CG2-CD2 4.15Å |
| 473 | E | 91.3 | Very high | 95.8 | Very high | 151 Ų | 151 | 35.5 Ų | 35.5 | 71% | 0.706 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -80.7 | -31.4 | 177 | -63 | -173.7 | 171.9 | 0 | 0 | 112.9 | N471 S500 | N471-E473 PolarHBondContact O-N 2.83Å; E473-S500 WeakPolarHBondContact O-CB 3.48Å; E473-S500 PolarHBondContact O-OG 3.16Å |
| 474 | S | 91.6 | Very high | 95.7 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 38% | 0.378 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -89.9 | 2.8 | -175.9 | 70.2 | 0 | 0 | 0 | 0 | 114.3 | N471 | N471-S474 PolarHBondContact O-N 2.86Å; N471-S474 PolarHBondContact O-OG 2.94Å |
| 475 | V | 95.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 157.1 | -178.4 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | L436 I437 C438 I467 N471 I472 W510 | L436-V475 HydrophobicContact CD1-CB 3.89Å; L436-V475 HydrophobicContact CD1-CG1 4.29Å; L436-V475 HydrophobicContact CD1-CG2 4.21Å; I437-V475 VanDerWaalsContact O-CA 3.28Å; I437-V475 WeakPolarHBondContact O-CA 3.44Å; C438-V475 HydrophobicContact CB-CG1 4.02Å; I467-V475 HydrophobicContact CD1-CG2 4.28Å; I467-V475 HydrophobicContact CG2-CG2 4.01Å; N471-V475 WeakPolarHBondContact O-CG1 3.32Å; N471-V475 WeakPolarHBondContact O-CG2 3.43Å; N471-V475 PolarHBondContact O-N 2.96Å; I472-V475 HydrophobicContact CD1-CG2 4.31Å; V475-W510 HydrophobicContact CG2-CH2 4.29Å; V475-W510 HydrophobicContact CG2-CZ2 4Å |
| 476 | S | 95.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 158.1 | 172.6 | 53 | 0 | 0 | 0 | 0 | 109.9 | I437 R497 V498 | I437-S476 PolarHBondContact N-O 3.48Å; I437-S476 PolarHBondContact O-N 3.14Å; S476-R497 PolarHBondContact OG-NH2 3.25Å; S476-V498 CarbonylContact C-O 3.26Å; S476-V498 VanDerWaalsContact CA-O 3.26Å; S476-V498 WeakPolarHBondContact CA-O 3.45Å; S476-V498 VanDerWaalsContact CB-O 3.24Å; S476-V498 WeakPolarHBondContact CB-O 3.28Å |
| 477 | I | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.7 | 170.2 | -56.2 | -177.3 | 0 | 0 | 0 | 108.9 | L409 A434 S435 L436 F465 I479 R497 V498 W510 | L409-I477 HydrophobicContact CD2-CD1 3.63Å; L409-I477 HydrophobicContact CD2-CG1 4.5Å; L409-I477 HydrophobicContact CG-CD1 4.41Å; A434-I477 HydrophobicContact CB-CG2 4.08Å; S435-I477 WeakPolarHBondContact O-CA 3.41Å; L436-I477 HydrophobicContact CD1-CG1 4.21Å; F465-I477 HydrophobicContact CD2-CD1 4.04Å; F465-I477 HydrophobicContact CE2-CD1 4.08Å; I477-I479 HydrophobicContact CG2-CD1 4.29Å; I477-I479 HydrophobicContact CG2-CG1 3.61Å; I477-R497 WeakPolarHBondContact O-CA 3.41Å; I477-V498 HydrophobicContact CB-CG2 3.88Å; I477-V498 PolarHBondContact N-O 2.87Å; I477-V498 PolarHBondContact O-N 3.09Å; I477-W510 HydrophobicContact CD1-CZ3 4.45Å; I477-W510 HydrophobicContact CG1-CZ3 4.34Å |
| 478 | I | 96.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.8 | 164 | -62.2 | 174.7 | 0 | 0 | 0 | 107.4 | S435 I437 M495 R497 I533 | S435-I478 PolarHBondContact N-O 2.88Å; S435-I478 PolarHBondContact O-N 3.43Å; I437-I478 HydrophobicContact CD1-CD1 4.22Å; I437-I478 HydrophobicContact CG1-CD1 3.89Å; I437-I478 HydrophobicContact CG1-CG1 3.95Å; I478-M495 HydrophobicContact CG2-SD 4.08Å; I478-R497 HydrophobicContact CG1-CG 4.19Å; I478-I533 HydrophobicContact CD1-CG2 4.25Å |
| 479 | I | 97.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.1 | 178.6 | -52.9 | 179.8 | 0 | 0 | 0 | 107.3 | L396 F398 I413 V432 A434 I477 M495 C496 | L396-I479 HydrophobicContact CD2-CB 4.5Å; L396-I479 HydrophobicContact CD2-CG2 3.52Å; F398-I479 HydrophobicContact CD1-CD1 4.1Å; F398-I479 HydrophobicContact CD2-CD1 3.99Å; F398-I479 HydrophobicContact CE1-CD1 3.84Å; F398-I479 HydrophobicContact CE2-CD1 3.73Å; F398-I479 HydrophobicContact CG-CD1 4.17Å; F398-I479 HydrophobicContact CZ-CD1 3.65Å; I413-I479 HydrophobicContact CD1-CG2 4.3Å; V432-I479 HydrophobicContact CG1-CG2 3.34Å; A434-I479 HydrophobicContact CB-CG1 4.26Å; I477-I479 HydrophobicContact CG2-CD1 4.29Å; I477-I479 HydrophobicContact CG2-CG1 3.61Å; I479-M495 CarbonylContact O-C 3.38Å; I479-M495 VanDerWaalsContact O-CA 3.28Å; I479-M495 WeakPolarHBondContact O-CA 3.1Å; I479-M495 WeakPolarHBondContact O-CB 3.46Å; I479-C496 PolarHBondContact N-O 2.89Å; I479-C496 PolarHBondContact O-N 2.93Å |
| 480 | A | 97.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K433 M482 M495 | K433-A480 PolarHBondContact N-O 3.14Å; K433-A480 PolarHBondContact O-N 2.83Å; K433-A480 VanDerWaalsContact O-N 3.07Å; A480-M482 HydrophobicContact CB-SD 4.2Å; A480-M495 HydrophobicContact CB-CB 3.88Å; A480-M495 HydrophobicContact CB-CE 4.27Å |
| 481 | V | 98.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126 | 163.1 | -170.1 | 0 | 0 | 0 | 0 | 107.5 | L396 L419 P430 V432 I493 G494 L527 | L396-V481 HydrophobicContact CD1-CG2 4.14Å; L396-V481 HydrophobicContact CD2-CG2 4.13Å; L396-V481 HydrophobicContact CG-CG2 4.5Å; L419-V481 HydrophobicContact CD1-CG1 3.97Å; L419-V481 HydrophobicContact CD2-CG1 4.06Å; P430-V481 HydrophobicContact CB-CG1 4.17Å; V432-V481 HydrophobicContact CG2-CG2 4.21Å; V481-I493 HydrophobicContact CB-CB 4.38Å; V481-I493 HydrophobicContact CG1-CB 4.36Å; V481-I493 HydrophobicContact CG1-CD1 4.05Å; V481-I493 HydrophobicContact CG1-CG1 4.39Å; V481-I493 PolarHBondContact O-N 3.17Å; V481-G494 PolarHBondContact N-O 3.49Å; V481-G494 PolarHBondContact O-N 3.11Å; V481-L527 HydrophobicContact CB-CD1 4.07Å; V481-L527 HydrophobicContact CG2-CD1 3.56Å; V481-L527 HydrophobicContact CG2-CD2 3.9Å; V481-L527 HydrophobicContact CG2-CG 4.39Å |
| 482 | M | 97.3 | Very high | 91.3 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 4% | 0.044 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 150.7 | -176.3 | -59.3 | -63 | -50.3 | 0 | 0 | 109 | P430 Y431 K433 A480 N490 E491 V492 | P430-M482 CarbonylContact C-O 3.13Å; P430-M482 VanDerWaalsContact CA-O 3.29Å; P430-M482 WeakPolarHBondContact CA-O 3.35Å; Y431-M482 HydrophobicContact CD1-CB 3.88Å; Y431-M482 HydrophobicContact CD2-CB 4.09Å; Y431-M482 HydrophobicContact CD2-CG 4.3Å; Y431-M482 HydrophobicContact CE1-CB 3.43Å; Y431-M482 VanDerWaalsContact CE1-CB 3.43Å; Y431-M482 HydrophobicContact CE1-CG 4.28Å; Y431-M482 HydrophobicContact CE2-CB 3.62Å; Y431-M482 HydrophobicContact CE2-CG 3.6Å; Y431-M482 HydrophobicContact CG-CB 4.2Å; Y431-M482 PolarHBondContact N-O 3.11Å; Y431-M482 PolarHBondContact O-N 2.76Å; K433-M482 HydrophobicContact CB-CG 3.89Å; K433-M482 HydrophobicContact CD-CG 4.2Å; K433-M482 HydrophobicContact CD-SD 4.1Å; K433-M482 PolarHBondContact NZ-SD 3.11Å; A480-M482 HydrophobicContact CB-SD 4.2Å; M482-N490 HydrophobicContact CE-CB 4.18Å; M482-N490 VanDerWaalsContact CE-O 3.28Å; M482-N490 WeakPolarHBondContact CE-O 3.45Å; M482-E491 WeakPolarHBondContact CA-O 3.47Å; M482-E491 WeakPolarHBondContact CE-O 3.16Å; M482-V492 HydrophobicContact CE-CG2 3.79Å; M482-V492 HydrophobicContact SD-CB 4.47Å; M482-V492 HydrophobicContact SD-CG2 3.81Å |
| 483 | D | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -90 | 162.2 | 164 | -136.5 | -42.2 | 0 | 0 | 0 | 112.1 | M422 S428 D429 Y431 N490 E491 I493 | M422-D483 WeakPolarHBondContact CA-OD2 3.46Å; M422-D483 HydrophobicContact CB-CB 4.28Å; M422-D483 WeakPolarHBondContact CB-OD2 3.4Å; M422-D483 HydrophobicContact CG-CB 4.07Å; M422-D483 WeakPolarHBondContact CG-OD2 3.49Å; S428-D483 WeakPolarHBondContact CA-OD2 3.48Å; S428-D483 WeakPolarHBondContact CB-OD2 3.5Å; S428-D483 PolarHBondContact OG-OD2 3.36Å; D429-D483 WeakPolarHBondContact CA-OD1 3.44Å; D429-D483 PolarHBondContact N-OD1 3Å; Y431-D483 VanDerWaalsContact CE1-O 3.29Å; Y431-D483 WeakPolarHBondContact CE1-O 3.28Å; D483-N490 WeakPolarHBondContact O-CB 3.36Å; D483-N490 PolarHBondContact O-ND2 2.95Å; D483-E491 PolarHBondContact N-O 3.15Å; D483-I493 HydrophobicContact CB-CD1 4.29Å; D483-I493 HydrophobicContact CB-CG1 4.21Å | ||
| 484 | Y | 95.1 | Very high | 91.4 | Very high | 87 Ų | 87 | 38.4 Ų | 38.4 | 34% | 0.341 | 21% | 0.214 | S | C | . | . | trans | -119.3 | 86 | 175.7 | 179.9 | -96.6 | 0 | 0 | 0 | 113 | D429 I450 C486 N490 | D429-Y484 HydrophobicContact CB-CD1 4.46Å; D429-Y484 VanDerWaalsContact O-CB 3.31Å; D429-Y484 WeakPolarHBondContact O-CB 3.19Å; D429-Y484 PolarHBondContact O-N 2.05Å; D429-Y484 VanDerWaalsContact O-N 3.15Å; I450-Y484 HydrophobicContact CD1-CD1 4.06Å; I450-Y484 HydrophobicContact CD1-CD2 3.62Å; I450-Y484 HydrophobicContact CD1-CE2 4.19Å; I450-Y484 HydrophobicContact CD1-CG 3.59Å; I450-Y484 HydrophobicContact CG1-CG 4.26Å; I450-Y484 HydrophobicContact CG2-CD1 4.37Å; I450-Y484 HydrophobicContact CG2-CG 4.3Å; Y484-C486 HydrophobicContact CE1-CB 4.44Å; Y484-C486 PolarHBondContact O-N 2.98Å; Y484-N490 WeakPolarHBondContact CA-ND2 3.49Å; Y484-N490 WeakPolarHBondContact CD2-ND2 3.43Å | ||
| 485 | D | 88.4 | Confident | 91.5 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 15% | 0.15 | 20% | 0.197 | C | C | . | . | trans | -69.3 | 120.7 | 169.5 | -52.1 | -89.2 | 0 | 0 | 0 | 111.2 | I487 N490 E491 | D485-I487 VanDerWaalsContact C-N 3.3Å; D485-N490 WeakPolarHBondContact OD2-CA 3Å; D485-E491 PolarHBondContact OD2-N 2.84Å | ||
| 486 | C | 79.1 | Confident | 91.4 | Very high | 101 Ų | 101 | 36.4 Ų | 36.4 | 68% | 0.682 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -74.7 | -21.4 | 172.6 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | Y484 | Y484-C486 HydrophobicContact CE1-CB 4.44Å; Y484-C486 PolarHBondContact O-N 2.98Å |
| 487 | I | 74.2 | Confident | 91.4 | Very high | 134 Ų | 134 | 38.2 Ų | 38.2 | 69% | 0.687 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -139.9 | 95.8 | 177.5 | -57.6 | 174.3 | 0 | 0 | 0 | 106.9 | D485 | D485-I487 VanDerWaalsContact C-N 3.3Š|
| 488 | G | 75.6 | Confident | 91.3 | Very high | 44 Ų | 44 | 38.3 Ų | 38.3 | 45% | 0.454 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 147.6 | -147.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 489 | H | 81.7 | Confident | 91.3 | Very high | 174 Ų | 174 | 37.1 Ų | 37.1 | 81% | 0.806 | 20% | 0.2 | S | C | * | . | trans | -129.9 | 120.9 | 175.9 | -70.2 | -38.3 | 0 | 0 | 0 | 110.3 | E491 | H489-E491 PolarHBondContact O-N 3.42Š| ||
| 490 | N | 89.4 | Confident | 91 | Very high | 63 Ų | 63 | 39.4 Ų | 39.4 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | trans | -39.3 | 101.1 | 178.7 | -64.4 | 93.8 | 0 | 0 | 0 | 114.5 | M482 D483 Y484 D485 | M482-N490 HydrophobicContact CE-CB 4.18Å; M482-N490 VanDerWaalsContact CE-O 3.28Å; M482-N490 WeakPolarHBondContact CE-O 3.45Å; D483-N490 WeakPolarHBondContact O-CB 3.36Å; D483-N490 PolarHBondContact O-ND2 2.95Å; Y484-N490 WeakPolarHBondContact CA-ND2 3.49Å; Y484-N490 WeakPolarHBondContact CD2-ND2 3.43Å; D485-N490 WeakPolarHBondContact OD2-CA 3Å | ||
| 491 | E | 91.1 | Very high | 90.4 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 19% | 0.192 | 24% | 0.238 | C | C | . | . | trans | -69 | 153.2 | 178.7 | -63.7 | -169.4 | 166 | 0 | 0 | 112.2 | R355 M422 M482 D483 D485 H489 | R355-E491 VanDerWaalsContact CG-OE2 3.29Å; R355-E491 WeakPolarHBondContact CG-OE2 3.48Å; R355-E491 PolarHBondContact N-OE1 3.33Å; M422-E491 HydrophobicContact CE-CB 3.96Å; M422-E491 WeakPolarHBondContact CE-OE2 3.41Å; M482-E491 WeakPolarHBondContact CA-O 3.47Å; M482-E491 WeakPolarHBondContact CE-O 3.16Å; D483-E491 PolarHBondContact N-O 3.15Å; D485-E491 PolarHBondContact OD2-N 2.84Å; H489-E491 PolarHBondContact O-N 3.42Å | ||
| 492 | V | 93.6 | Very high | 90 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 119 | 171.1 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | M482 M495 | M482-V492 HydrophobicContact CE-CG2 3.79Å; M482-V492 HydrophobicContact SD-CB 4.47Å; M482-V492 HydrophobicContact SD-CG2 3.81Å; V492-M495 HydrophobicContact CG1-CE 4.24Å |
| 493 | I | 93.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -46.9 | 174.7 | -48.9 | -167.4 | 0 | 0 | 0 | 109.5 | L393 L419 K420 M422 P430 V481 D483 | L393-I493 WeakPolarHBondContact CD1-O 3.48Å; L419-I493 HydrophobicContact CB-CG2 4.39Å; L419-I493 HydrophobicContact CD1-CD1 4.38Å; L419-I493 HydrophobicContact CD2-CG2 4.39Å; K420-I493 HydrophobicContact CB-CG2 3.99Å; K420-I493 WeakPolarHBondContact O-CG2 3.35Å; M422-I493 HydrophobicContact CG-CB 4.49Å; M422-I493 HydrophobicContact CG-CD1 4.2Å; M422-I493 HydrophobicContact CG-CG1 3.75Å; M422-I493 HydrophobicContact SD-CB 4.32Å; M422-I493 HydrophobicContact SD-CG1 4.22Å; M422-I493 HydrophobicContact SD-CG2 4.13Å; P430-I493 HydrophobicContact CB-CD1 4.13Å; V481-I493 HydrophobicContact CB-CB 4.38Å; V481-I493 HydrophobicContact CG1-CB 4.36Å; V481-I493 HydrophobicContact CG1-CD1 4.05Å; V481-I493 HydrophobicContact CG1-CG1 4.39Å; V481-I493 PolarHBondContact O-N 3.17Å; D483-I493 HydrophobicContact CB-CD1 4.29Å; D483-I493 HydrophobicContact CB-CG1 4.21Å |
| 494 | G | 93.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | 173.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V481 | V481-G494 PolarHBondContact N-O 3.49Å; V481-G494 PolarHBondContact O-N 3.11Å |
| 495 | M | 94.5 | Very high | 88.3 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 3% | 0.034 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 161.3 | -176.1 | 58.3 | 170.9 | 67.1 | 0 | 0 | 114.1 | I478 I479 A480 V492 V528 E530 I533 | I478-M495 HydrophobicContact CG2-SD 4.08Å; I479-M495 CarbonylContact O-C 3.38Å; I479-M495 VanDerWaalsContact O-CA 3.28Å; I479-M495 WeakPolarHBondContact O-CA 3.1Å; I479-M495 WeakPolarHBondContact O-CB 3.46Å; A480-M495 HydrophobicContact CB-CB 3.88Å; A480-M495 HydrophobicContact CB-CE 4.27Å; V492-M495 HydrophobicContact CG1-CE 4.24Å; M495-V528 WeakPolarHBondContact CG-O 3.36Å; M495-V528 PolarHBondContact N-O 3.46Å; M495-V528 VanDerWaalsContact O-CG2 3.32Å; M495-V528 WeakPolarHBondContact O-CG2 3.45Å; M495-V528 PolarHBondContact O-N 3.37Å; M495-E530 HydrophobicContact CE-CB 3.67Å; M495-E530 HydrophobicContact CE-CG 3.52Å; M495-E530 WeakPolarHBondContact CE-OE1 3.37Å; M495-E530 HydrophobicContact SD-CB 4.32Å; M495-E530 HydrophobicContact SD-CG 4.29Å; M495-I533 HydrophobicContact CG-CD1 3.72Å; M495-I533 HydrophobicContact CG-CG1 4.26Å; M495-I533 HydrophobicContact SD-CB 3.97Å; M495-I533 HydrophobicContact SD-CD1 3.77Å; M495-I533 HydrophobicContact SD-CG1 4.03Å |
| 496 | C | 93.9 | Very high | 88.5 | Confident | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 161.8 | 170.1 | 62.1 | 0 | 0 | 0 | 0 | 110.6 | I479 H525 | I479-C496 PolarHBondContact N-O 2.89Å; I479-C496 PolarHBondContact O-N 2.93Å; C496-H525 HydrophobicContact CB-CB 3.91Å |
| 497 | R | 94.4 | Very high | 89.2 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134 | 179.6 | -174.4 | -178.4 | -167.9 | -139.7 | -0.3 | 110.3 | S476 I477 I478 D501 A502 G506 I533 | S476-R497 PolarHBondContact OG-NH2 3.25Å; I477-R497 WeakPolarHBondContact O-CA 3.41Å; I478-R497 HydrophobicContact CG1-CG 4.19Å; R497-D501 IonicContact CZ-OD1 3.1Å; R497-D501 IonicContact CZ-OD2 3.92Å; R497-D501 PolarHBondContact NH1-O 3.49Å; R497-D501 IonicContact NH1-OD1 2.8Å; R497-D501 PolarHBondContact NH1-OD1 3.32Å; R497-D501 IonicContact NH1-OD2 2.93Å; R497-D501 PolarHBondContact NH1-OD2 2.9Å; R497-D501 IonicContact NH2-OD1 3.84Å; R497-D501 PolarHBondContact NH2-OD1 3.46Å; R497-D501 IonicContact NH2-OD2 3.26Å; R497-D501 PolarHBondContact NH2-OD2 2.86Å; R497-A502 HydrophobicContact CG-CB 4.31Å; R497-G506 WeakPolarHBondContact O-CA 3.47Å; R497-I533 HydrophobicContact CB-CD1 4.22Å |
| 498 | V | 96.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 143.9 | 169.8 | -68.8 | 0 | 0 | 0 | 0 | 110.1 | F398 L400 S476 I477 G506 W510 | F398-V498 HydrophobicContact CE2-CG1 4.02Å; F398-V498 HydrophobicContact CZ-CG1 3.73Å; L400-V498 HydrophobicContact CD1-CB 4.22Å; L400-V498 HydrophobicContact CD1-CG1 4.31Å; L400-V498 HydrophobicContact CD1-CG2 4.06Å; S476-V498 CarbonylContact C-O 3.26Å; S476-V498 VanDerWaalsContact CA-O 3.26Å; S476-V498 WeakPolarHBondContact CA-O 3.45Å; S476-V498 VanDerWaalsContact CB-O 3.24Å; S476-V498 WeakPolarHBondContact CB-O 3.28Å; I477-V498 HydrophobicContact CB-CG2 3.88Å; I477-V498 PolarHBondContact N-O 2.87Å; I477-V498 PolarHBondContact O-N 3.09Å; V498-G506 WeakPolarHBondContact CA-O 3.43Å; V498-W510 HydrophobicContact CB-CE3 4.05Å; V498-W510 HydrophobicContact CG2-CE3 4.02Å; V498-W510 HydrophobicContact CG2-CZ3 4.16Å |
| 499 | G | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | 167.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D501 A502 G506 W510 | G499-D501 PolarHBondContact O-N 3.29Å; G499-A502 WeakPolarHBondContact O-CB 3.37Å; G499-A502 PolarHBondContact O-N 3.43Å; G499-G506 PolarHBondContact N-O 3.06Å; G499-W510 VanDerWaalsContact C-CD1 3.48Å |
| 500 | S | 91.3 | Very high | 92 | Very high | 49 Ų | 49 | 35.9 Ų | 35.9 | 34% | 0.343 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -36.1 | 177.4 | -39.9 | 0 | 0 | 0 | 0 | 112.2 | E473 W510 | E473-S500 WeakPolarHBondContact O-CB 3.48Å; E473-S500 PolarHBondContact O-OG 3.16Å; S500-W510 VanDerWaalsContact N-CD1 3.34Å; S500-W510 PolarHBondContact OG-NE1 2.93Å |
| 501 | D | 86.2 | Confident | 92.3 | Very high | 89 Ų | 89 | 35.5 Ų | 35.5 | 48% | 0.476 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 16 | -178.9 | 75.6 | -41.3 | 0 | 0 | 0 | 113.3 | R497 G499 | R497-D501 IonicContact CZ-OD1 3.1Å; R497-D501 IonicContact CZ-OD2 3.92Å; R497-D501 PolarHBondContact NH1-O 3.49Å; R497-D501 IonicContact NH1-OD1 2.8Å; R497-D501 PolarHBondContact NH1-OD1 3.32Å; R497-D501 IonicContact NH1-OD2 2.93Å; R497-D501 PolarHBondContact NH1-OD2 2.9Å; R497-D501 IonicContact NH2-OD1 3.84Å; R497-D501 PolarHBondContact NH2-OD1 3.46Å; R497-D501 IonicContact NH2-OD2 3.26Å; R497-D501 PolarHBondContact NH2-OD2 2.86Å; G499-D501 PolarHBondContact O-N 3.29Å |
| 502 | A | 88.1 | Confident | 92.6 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | trans | -78.6 | 173.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R497 G499 R507 | R497-A502 HydrophobicContact CG-CB 4.31Å; G499-A502 WeakPolarHBondContact O-CB 3.37Å; G499-A502 PolarHBondContact O-N 3.43Å; A502-R507 HydrophobicContact CB-CB 4.42Å; A502-R507 WeakPolarHBondContact O-CB 3.39Å; A502-R507 WeakPolarHBondContact O-CD 3.43Å; A502-R507 PolarHBondContact O-NH1 3.41Å | ||
| 503 | D | 80.7 | Confident | 92.8 | Very high | 104 Ų | 104 | 33.4 Ų | 33.4 | 56% | 0.556 | 19% | 0.191 | S | C | * | . | trans | -116.3 | 153.3 | 174.7 | -86.5 | -49 | 0 | 0 | 0 | 112.9 | G506 R507 | D503-G506 PolarHBondContact O-N 3.06Å; D503-R507 IonicContact OD1-CZ 3.9Å; D503-R507 IonicContact OD1-NH1 3.52Å; D503-R507 PolarHBondContact OD1-NH1 3.35Å; D503-R507 IonicContact OD1-NH2 3.36Å | ||
| 504 | G | 86.8 | Confident | 93 | Very high | 24 Ų | 24 | 36 Ų | 36 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -134.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G506 R507 E508 | G504-G506 PolarHBondContact O-N 3.26Å; G504-R507 PolarHBondContact O-N 3.07Å; G504-E508 PolarHBondContact O-N 3.23Å; G504-E508 VanDerWaalsContact O-N 3.16Å |
| 505 | P | 86.8 | Confident | 93.2 | Very high | 62 Ų | 62 | 39.7 Ų | 39.7 | 40% | 0.403 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -52.8 | -27.8 | 179.7 | -28.8 | 36.2 | 0 | 0 | 0 | 114.4 | R507 E508 H509 H525 | P505-R507 VanDerWaalsContact C-N 3.31Å; P505-R507 PolarHBondContact O-N 2.97Å; P505-E508 PolarHBondContact O-N 3.27Å; P505-H509 WeakPolarHBondContact O-CB 3.24Å; P505-H509 PolarHBondContact O-N 3.17Å; P505-H525 PolarHBondContact O-CE1 2.75Å |
| 506 | G | 92.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.7 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R497 V498 G499 D503 G504 | R497-G506 WeakPolarHBondContact O-CA 3.47Å; V498-G506 WeakPolarHBondContact CA-O 3.43Å; G499-G506 PolarHBondContact N-O 3.06Å; D503-G506 PolarHBondContact O-N 3.06Å; G504-G506 PolarHBondContact O-N 3.26Å |
| 507 | R | 94.8 | Very high | 93.2 | Very high | 104 Ų | 104 | 44.7 Ų | 44.7 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -84.4 | -38.7 | 179.4 | -176.2 | 171.1 | 58.8 | -128.6 | 2.4 | 111.8 | A502 D503 G504 P505 W510 A511 | A502-R507 HydrophobicContact CB-CB 4.42Å; A502-R507 WeakPolarHBondContact O-CB 3.39Å; A502-R507 WeakPolarHBondContact O-CD 3.43Å; A502-R507 PolarHBondContact O-NH1 3.41Å; D503-R507 IonicContact OD1-CZ 3.9Å; D503-R507 IonicContact OD1-NH1 3.52Å; D503-R507 PolarHBondContact OD1-NH1 3.35Å; D503-R507 IonicContact OD1-NH2 3.36Å; G504-R507 PolarHBondContact O-N 3.07Å; P505-R507 VanDerWaalsContact C-N 3.31Å; P505-R507 PolarHBondContact O-N 2.97Å; R507-W510 PolarHBondContact O-N 2.81Å; R507-A511 WeakPolarHBondContact O-CB 3.33Å; R507-A511 PolarHBondContact O-N 2.85Å |
| 508 | E | 93.6 | Very high | 93.1 | Very high | 111 Ų | 111 | 52 Ų | 52 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | -179.3 | -70 | 159.3 | -152.7 | 0 | 0 | 112 | G504 P505 A511 A512 | G504-E508 PolarHBondContact O-N 3.23Å; G504-E508 VanDerWaalsContact O-N 3.16Å; P505-E508 PolarHBondContact O-N 3.27Å; E508-A511 PolarHBondContact O-N 2.81Å; E508-A512 VanDerWaalsContact O-CB 3.28Å; E508-A512 WeakPolarHBondContact O-CB 3.26Å; E508-A512 PolarHBondContact O-N 2.97Å |
| 509 | H | 97.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 173.5 | -172.3 | 170 | 0 | 0 | 0 | 110.9 | F398 L400 P505 A512 M513 I521 H523 H525 | F398-H509 AromaticContact CD2-CE1 3.88Å; F398-H509 AromaticContact CE2-CE1 3.7Å; F398-H509 AromaticContact CE2-ND1 3.84Å; F398-H509 PolarHBondContact O-CE1 2.99Å; L400-H509 WeakPolarHBondContact CB-NE2 3.18Å; L400-H509 WeakPolarHBondContact CG-NE2 3.38Å; L400-H509 PolarHBondContact N-NE2 2.74Å; P505-H509 WeakPolarHBondContact O-CB 3.24Å; P505-H509 PolarHBondContact O-N 3.17Å; H509-A512 PolarHBondContact O-N 2.78Å; H509-M513 WeakPolarHBondContact O-CB 3.44Å; H509-M513 PolarHBondContact O-N 3.37Å; H509-I521 PolarHBondContact NE2-O 3.4Å; H509-H523 HydrophobicContact CB-CB 4.32Å; H509-H523 WeakPolarHBondContact ND1-CB 3.29Å; H509-H525 AromaticContact CG-NE2 4Å; H509-H525 AromaticContact ND1-NE2 3.25Å; H509-H525 PolarHBondContact ND1-NE2 3.25Å |
| 510 | W | 97.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 177.8 | -165.9 | -100.7 | 0 | 0 | 0 | 112.4 | L400 L409 I472 V475 I477 V498 G499 S500 R507 M513 L514 | L400-W510 HydrophobicContact CD1-CE3 3.93Å; L400-W510 HydrophobicContact CD1-CZ3 4.41Å; L409-W510 HydrophobicContact CD2-CH2 3.5Å; L409-W510 HydrophobicContact CD2-CZ3 3.7Å; I472-W510 HydrophobicContact CD1-CH2 4.24Å; I472-W510 HydrophobicContact CD1-CZ2 3.87Å; I472-W510 HydrophobicContact CG1-CZ2 4.26Å; V475-W510 HydrophobicContact CG2-CH2 4.29Å; V475-W510 HydrophobicContact CG2-CZ2 4Å; I477-W510 HydrophobicContact CD1-CZ3 4.45Å; I477-W510 HydrophobicContact CG1-CZ3 4.34Å; V498-W510 HydrophobicContact CB-CE3 4.05Å; V498-W510 HydrophobicContact CG2-CE3 4.02Å; V498-W510 HydrophobicContact CG2-CZ3 4.16Å; G499-W510 VanDerWaalsContact C-CD1 3.48Å; S500-W510 VanDerWaalsContact N-CD1 3.34Å; S500-W510 PolarHBondContact OG-NE1 2.93Å; R507-W510 PolarHBondContact O-N 2.81Å; W510-M513 HydrophobicContact CD2-CE 3.74Å; W510-M513 HydrophobicContact CE3-CE 3.84Å; W510-M513 HydrophobicContact CG-CE 4.32Å; W510-M513 HydrophobicContact CH2-CE 4.25Å; W510-M513 HydrophobicContact CZ2-CE 4.15Å; W510-M513 HydrophobicContact CZ3-CE 4.1Å; W510-M513 WeakPolarHBondContact O-CB 3.44Å; W510-M513 PolarHBondContact O-N 3Å; W510-L514 WeakPolarHBondContact O-CG 3.24Å; W510-L514 PolarHBondContact O-N 2.79Å; W510-L514 VanDerWaalsContact O-N 3.09Å |
| 511 | A | 96.9 | Very high | 93.5 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R507 E508 M513 L514 A515 | R507-A511 WeakPolarHBondContact O-CB 3.33Å; R507-A511 PolarHBondContact O-N 2.85Å; E508-A511 PolarHBondContact O-N 2.81Å; A511-M513 PolarHBondContact O-N 2.93Å; A511-L514 PolarHBondContact O-N 2.7Å; A511-A515 WeakPolarHBondContact O-CB 3.31Å; A511-A515 PolarHBondContact O-N 3.36Å |
| 512 | A | 97.4 | Very high | 94.1 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | E508 H509 A515 N516 I521 | E508-A512 VanDerWaalsContact O-CB 3.28Å; E508-A512 WeakPolarHBondContact O-CB 3.26Å; E508-A512 PolarHBondContact O-N 2.97Å; H509-A512 PolarHBondContact O-N 2.78Å; A512-A515 PolarHBondContact O-N 3.05Å; A512-N516 WeakPolarHBondContact O-CB 3.41Å; A512-N516 PolarHBondContact O-N 3.09Å; A512-N516 VanDerWaalsContact O-N 3.17Å; A512-N516 PolarHBondContact O-ND2 2.99Å; A512-I521 HydrophobicContact CB-CG2 4.1Å |
| 513 | M | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 172.7 | 173.9 | -159.9 | 68.4 | 0 | 0 | 111.4 | L400 L409 H509 W510 A511 A515 N516 | L400-M513 HydrophobicContact CB-CB 4.17Å; L400-M513 HydrophobicContact CB-CG 3.97Å; L400-M513 HydrophobicContact CB-SD 3.62Å; L400-M513 HydrophobicContact CD1-SD 4.22Å; L400-M513 HydrophobicContact CG-SD 4.48Å; L409-M513 HydrophobicContact CD1-CE 4.4Å; L409-M513 HydrophobicContact CD1-SD 3.37Å; L409-M513 WeakPolarHBondContact CD1-SD 3.28Å; H509-M513 WeakPolarHBondContact O-CB 3.44Å; H509-M513 PolarHBondContact O-N 3.37Å; W510-M513 HydrophobicContact CD2-CE 3.74Å; W510-M513 HydrophobicContact CE3-CE 3.84Å; W510-M513 HydrophobicContact CG-CE 4.32Å; W510-M513 HydrophobicContact CH2-CE 4.25Å; W510-M513 HydrophobicContact CZ2-CE 4.15Å; W510-M513 HydrophobicContact CZ3-CE 4.1Å; W510-M513 WeakPolarHBondContact O-CB 3.44Å; W510-M513 PolarHBondContact O-N 3Å; A511-M513 PolarHBondContact O-N 2.93Å; M513-A515 VanDerWaalsContact C-N 3.34Å; M513-A515 PolarHBondContact O-N 3.15Å; M513-N516 CarbonylContact O-C 3.56Å; M513-N516 PolarHBondContact O-N 3.04Å; M513-N516 VanDerWaalsContact O-N 3.15Å |
| 514 | L | 96.7 | Very high | 94.9 | Very high | 58 Ų | 58 | 63.7 Ų | 63.7 | 30% | 0.304 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 179.8 | -67.7 | 174.9 | 0 | 0 | 0 | 112.2 | Y402 I472 W510 A511 N516 P517 | Y402-L514 HydrophobicContact CD1-CD2 4.21Å; I472-L514 HydrophobicContact CG1-CD2 3.75Å; I472-L514 HydrophobicContact CG2-CD2 4.15Å; W510-L514 WeakPolarHBondContact O-CG 3.24Å; W510-L514 PolarHBondContact O-N 2.79Å; W510-L514 VanDerWaalsContact O-N 3.09Å; A511-L514 PolarHBondContact O-N 2.7Å; L514-N516 PolarHBondContact O-N 3.18Å; L514-P517 WeakPolarHBondContact O-CD 3.44Å; L514-P517 WeakPolarHBondContact O-CG 3.44Å |
| 515 | A | 97.3 | Very high | 95.1 | Very high | 77 Ų | 77 | 63 Ų | 63 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.9 | -13.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | A511 A512 M513 | A511-A515 WeakPolarHBondContact O-CB 3.31Å; A511-A515 PolarHBondContact O-N 3.36Å; A512-A515 PolarHBondContact O-N 3.05Å; M513-A515 VanDerWaalsContact C-N 3.34Å; M513-A515 PolarHBondContact O-N 3.15Å |
| 516 | N | 96 | Very high | 95.2 | Very high | 58 Ų | 58 | 64.3 Ų | 64.3 | 31% | 0.31 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -127.6 | 62.7 | -179.3 | -67.1 | -105.1 | 0 | 0 | 0 | 112.7 | A512 M513 L514 R518 K519 I521 | A512-N516 WeakPolarHBondContact O-CB 3.41Å; A512-N516 PolarHBondContact O-N 3.09Å; A512-N516 VanDerWaalsContact O-N 3.17Å; A512-N516 PolarHBondContact O-ND2 2.99Å; M513-N516 CarbonylContact O-C 3.56Å; M513-N516 PolarHBondContact O-N 3.04Å; M513-N516 VanDerWaalsContact O-N 3.15Å; L514-N516 PolarHBondContact O-N 3.18Å; N516-R518 PolarHBondContact O-N 3.04Å; N516-K519 HydrophobicContact CB-CB 4.08Å; N516-K519 HydrophobicContact CB-CD 4.12Å; N516-K519 WeakPolarHBondContact O-CB 3.42Å; N516-K519 PolarHBondContact O-N 3.12Å; N516-K519 VanDerWaalsContact O-N 3.08Å; N516-I521 HydrophobicContact CB-CD1 3.9Å; N516-I521 HydrophobicContact CB-CG1 4.32Å |
| 517 | P | 93.1 | Very high | 95.2 | Very high | 61 Ų | 61 | 64.4 Ų | 64.4 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 136.6 | -175.9 | -24.4 | 34.8 | 0 | 0 | 0 | 113.4 | P404 L514 K519 | P404-P517 HydrophobicContact CG-CB 4.27Å; L514-P517 WeakPolarHBondContact O-CD 3.44Å; L514-P517 WeakPolarHBondContact O-CG 3.44Å; P517-K519 PolarHBondContact O-N 3.29Å |
| 518 | R | 92.8 | Very high | 94.9 | Very high | 196 Ų | 196 | 62.3 Ų | 62.3 | 74% | 0.74 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | -1.2 | -175.2 | -46.6 | 166.8 | -70.7 | -173 | -2.8 | 116.1 | C401 Y402 L403 N516 | C401-R518 VanDerWaalsContact SG-C 3.59Å; Y402-R518 PolarHBondContact O-N 3.34Å; L403-R518 HydrophobicContact CD2-CG 3.94Å; N516-R518 PolarHBondContact O-N 3.04Å |
| 519 | K | 96.2 | Very high | 94.4 | Very high | 117 Ų | 117 | 61.4 Ų | 61.4 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -99.6 | 124.9 | 173.8 | -176.3 | -173 | 173.1 | -171.2 | 0 | 109.3 | N516 P517 I521 | N516-K519 HydrophobicContact CB-CB 4.08Å; N516-K519 HydrophobicContact CB-CD 4.12Å; N516-K519 WeakPolarHBondContact O-CB 3.42Å; N516-K519 PolarHBondContact O-N 3.12Å; N516-K519 VanDerWaalsContact O-N 3.08Å; P517-K519 PolarHBondContact O-N 3.29Å; K519-I521 HydrophobicContact CD-CD1 3.97Å; K519-I521 HydrophobicContact CG-CD1 4.25Å; K519-I521 PolarHBondContact O-N 3.21Å |
| 520 | P | 97.7 | Very high | 93.3 | Very high | 80 Ų | 80 | 66.4 Ų | 66.4 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 123.5 | 165.4 | -21 | 33.4 | 0 | 0 | 0 | 110.3 | L400 C401 | L400-P520 WeakPolarHBondContact O-CA 3.41Å; C401-P520 HydrophobicContact CB-CB 4.37Å; C401-P520 HydrophobicContact CB-CG 4.23Å |
| 521 | I | 98.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 74 Ų | 74 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.2 | 167.6 | -58.4 | -54.1 | 0 | 0 | 0 | 106.6 | S399 L400 H509 A512 N516 K519 | S399-I521 CarbonylContact C-O 3.51Å; S399-I521 WeakPolarHBondContact CA-O 3.44Å; S399-I521 WeakPolarHBondContact CB-O 3.48Å; L400-I521 PolarHBondContact N-O 3.11Å; L400-I521 PolarHBondContact O-N 3.03Å; H509-I521 PolarHBondContact NE2-O 3.4Å; A512-I521 HydrophobicContact CB-CG2 4.1Å; N516-I521 HydrophobicContact CB-CD1 3.9Å; N516-I521 HydrophobicContact CB-CG1 4.32Å; K519-I521 HydrophobicContact CD-CD1 3.97Å; K519-I521 HydrophobicContact CG-CD1 4.25Å; K519-I521 PolarHBondContact O-N 3.21Å |
| 522 | E | 97.4 | Very high | 90 | Very high | 112 Ų | 112 | 74 Ų | 74 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140.1 | 178 | -173.7 | 179.5 | 140 | 0 | 0 | 109.9 | N397 I414 | N397-E522 PolarHBondContact ND2-OE1 2.76Å; N397-E522 WeakPolarHBondContact OD1-CG 3.34Å; N397-E522 PolarHBondContact OD1-OE1 2.68Å; I414-E522 HydrophobicContact CD1-CG 3.9Å |
| 523 | H | 93.4 | Very high | 88.2 | Confident | 73 Ų | 73 | 73.2 Ų | 73.2 | 34% | 0.338 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 149.8 | 174.1 | -146.6 | -87.6 | 0 | 0 | 0 | 112.4 | F398 H509 | F398-H523 PolarHBondContact N-O 3.28Å; F398-H523 PolarHBondContact O-N 2.9Å; F398-H523 VanDerWaalsContact O-N 3.11Å; H509-H523 HydrophobicContact CB-CB 4.32Å; H509-H523 WeakPolarHBondContact ND1-CB 3.29Å |
| 524 | W | 92.3 | Very high | 86 | Confident | 85 Ų | 85 | 75.1 Ų | 75.1 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 142.8 | 167.2 | -70.8 | 95.2 | 0 | 0 | 0 | 111.2 | E395 N397 K415 T417 | E395-W524 HydrophobicContact CB-CE3 3.79Å; E395-W524 HydrophobicContact CB-CZ3 4.16Å; N397-W524 HydrophobicContact CB-CD2 3.73Å; N397-W524 HydrophobicContact CB-CE3 3.62Å; N397-W524 HydrophobicContact CB-CG 4.46Å; N397-W524 HydrophobicContact CB-CH2 3.9Å; N397-W524 HydrophobicContact CB-CZ2 3.99Å; N397-W524 HydrophobicContact CB-CZ3 3.69Å; N397-W524 PolarHBondContact ND2-NE1 3.29Å; K415-W524 HydrophobicContact CD-CH2 4.15Å; K415-W524 HydrophobicContact CD-CZ2 4.49Å; K415-W524 VanDerWaalsContact CE-CZ2 3.48Å; K415-W524 HydrophobicContact CG-CH2 4.05Å; T417-W524 HydrophobicContact CG2-CH2 3.99Å; T417-W524 HydrophobicContact CG2-CZ3 4.36Å; T417-W524 WeakPolarHBondContact OG1-CH2 3.4Å; T417-W524 WeakPolarHBondContact OG1-CZ3 3.41Å |
| 525 | H | 91.4 | Very high | 83.5 | Confident | 10 Ų | 10 | 75.5 Ų | 75.5 | 5% | 0.046 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 121.2 | 173.3 | -74.1 | -96 | 0 | 0 | 0 | 109.9 | E395 L396 F398 C496 P505 H509 L527 | E395-H525 WeakPolarHBondContact CA-O 3.29Å; L396-H525 PolarHBondContact N-O 3.27Å; L396-H525 PolarHBondContact O-N 2.86Å; F398-H525 HydrophobicContact CE1-CB 4.17Å; F398-H525 AromaticContact CE1-CD2 3.23Å; F398-H525 WeakPolarHBondContact CE1-CD2 3.43Å; F398-H525 AromaticContact CE1-CG 3.85Å; F398-H525 AromaticContact CE1-NE2 3.91Å; F398-H525 AromaticContact CZ-CD2 3.24Å; F398-H525 WeakPolarHBondContact CZ-CD2 3.5Å; F398-H525 AromaticContact CZ-NE2 3.38Å; F398-H525 WeakPolarHBondContact CZ-NE2 3.41Å; C496-H525 HydrophobicContact CB-CB 3.91Å; P505-H525 PolarHBondContact O-CE1 2.75Å; H509-H525 AromaticContact CG-NE2 4Å; H509-H525 AromaticContact ND1-NE2 3.25Å; H509-H525 PolarHBondContact ND1-NE2 3.25Å; H525-L527 PolarHBondContact O-N 2.75Å |
| 526 | Q | 87.9 | Confident | 80.9 | Confident | 88 Ų | 88 | 76.6 Ų | 76.6 | 41% | 0.411 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 132.4 | 166.9 | -177.1 | 82.3 | 80.7 | 0 | 0 | 109.4 | D392 G394 | D392-Q526 PolarHBondContact OD1-NE2 2.71Å; G394-Q526 PolarHBondContact O-NE2 3.43Å |
| 527 | L | 92.7 | Very high | 78.4 | Confident | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | trans | -80.5 | 138.2 | 176.2 | -61.3 | 170.8 | 0 | 0 | 0 | 110.6 | L393 G394 L396 L419 V481 H525 | L393-L527 HydrophobicContact CB-CB 3.84Å; G394-L527 WeakPolarHBondContact O-CB 3.45Å; G394-L527 WeakPolarHBondContact O-CG 3.48Å; G394-L527 PolarHBondContact O-N 2.8Å; L396-L527 HydrophobicContact CB-CD2 3.98Å; L396-L527 HydrophobicContact CB-CG 4.41Å; L419-L527 HydrophobicContact CD2-CD1 3.59Å; V481-L527 HydrophobicContact CB-CD1 4.07Å; V481-L527 HydrophobicContact CG2-CD1 3.56Å; V481-L527 HydrophobicContact CG2-CD2 3.9Å; V481-L527 HydrophobicContact CG2-CG 4.39Å; H525-L527 PolarHBondContact O-N 2.75Å | ||
| 528 | V | 88.4 | Confident | 75.8 | Confident | 60 Ų | 60 | 78.6 Ų | 78.6 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -121.3 | 161.7 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | M495 A532 I533 | M495-V528 WeakPolarHBondContact CG-O 3.36Å; M495-V528 PolarHBondContact N-O 3.46Å; M495-V528 VanDerWaalsContact O-CG2 3.32Å; M495-V528 WeakPolarHBondContact O-CG2 3.45Å; M495-V528 PolarHBondContact O-N 3.37Å; V528-A532 HydrophobicContact CG2-CB 4.43Å; V528-I533 HydrophobicContact CG2-CD1 3.92Å; V528-I533 HydrophobicContact CG2-CG1 3.95Å |
| 529 | E | 84.5 | Confident | 73.1 | Confident | 93 Ų | 93 | 76.7 Ų | 76.7 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | trans | -68.1 | 148.8 | -179.2 | -61.3 | -171.2 | 164 | 0 | 0 | 112.5 | L393 K531 A532 | L393-E529 HydrophobicContact CD1-CG 3.89Å; E529-K531 PolarHBondContact O-N 3.26Å; E529-A532 WeakPolarHBondContact O-CB 3.35Å; E529-A532 PolarHBondContact O-N 3.2Å | ||
| 530 | E | 74.2 | Confident | 70.4 | Confident | 106 Ų | 106 | 74.4 Ų | 74.4 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.2 | -36.5 | -177.9 | -175.3 | 154.5 | -136.7 | 0 | 0 | 113 | M495 A532 I533 G534 | M495-E530 HydrophobicContact CE-CB 3.67Å; M495-E530 HydrophobicContact CE-CG 3.52Å; M495-E530 WeakPolarHBondContact CE-OE1 3.37Å; M495-E530 HydrophobicContact SD-CB 4.32Å; M495-E530 HydrophobicContact SD-CG 4.29Å; E530-A532 PolarHBondContact O-N 3.38Å; E530-I533 PolarHBondContact O-N 2.92Å; E530-I533 VanDerWaalsContact O-N 3.14Å; E530-G534 PolarHBondContact O-N 2.79Å |
| 531 | K | 65 | Low | 67.4 | Low | 161 Ų | 161 | 75 Ų | 75 | 70% | 0.7 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.2 | -33 | 176.7 | -66.3 | -179.5 | 179.6 | 177.2 | 0 | 112.7 | E529 I533 | E529-K531 PolarHBondContact O-N 3.26Å; K531-I533 VanDerWaalsContact C-N 3.34Å; K531-I533 PolarHBondContact O-N 3.24Å |
| 532 | A | 59.3 | Low | 64.7 | Low | 56 Ų | 56 | 79.6 Ų | 79.6 | 46% | 0.463 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.3 | -31.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V528 E529 E530 | V528-A532 HydrophobicContact CG2-CB 4.43Å; E529-A532 WeakPolarHBondContact O-CB 3.35Å; E529-A532 PolarHBondContact O-N 3.2Å; E530-A532 PolarHBondContact O-N 3.38Å |
| 533 | I | 60.2 | Low | 62 | Low | 18 Ų | 18 | 78.6 Ų | 78.6 | 9% | 0.092 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -91.3 | -25 | 179.1 | -51.9 | -161.7 | 0 | 0 | 0 | 111.7 | I478 M495 R497 V528 E530 K531 T535 F536 | I478-I533 HydrophobicContact CD1-CG2 4.25Å; M495-I533 HydrophobicContact CG-CD1 3.72Å; M495-I533 HydrophobicContact CG-CG1 4.26Å; M495-I533 HydrophobicContact SD-CB 3.97Å; M495-I533 HydrophobicContact SD-CD1 3.77Å; M495-I533 HydrophobicContact SD-CG1 4.03Å; R497-I533 HydrophobicContact CB-CD1 4.22Å; V528-I533 HydrophobicContact CG2-CD1 3.92Å; V528-I533 HydrophobicContact CG2-CG1 3.95Å; E530-I533 PolarHBondContact O-N 2.92Å; E530-I533 VanDerWaalsContact O-N 3.14Å; K531-I533 VanDerWaalsContact C-N 3.34Å; K531-I533 PolarHBondContact O-N 3.24Å; I533-T535 PolarHBondContact O-N 3.47Å; I533-T535 VanDerWaalsContact O-N 3.11Å; I533-F536 PolarHBondContact O-N 3.21Å; I533-F536 VanDerWaalsContact O-N 3.14Å |
| 534 | G | 50.7 | Low | 59.4 | Low | 40 Ų | 40 | 81.4 Ų | 81.4 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -54.8 | -30.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E530 F536 V537 | E530-G534 PolarHBondContact O-N 2.79Å; G534-F536 PolarHBondContact O-N 3.19Å; G534-F536 VanDerWaalsContact O-N 3.09Å; G534-V537 PolarHBondContact O-N 2.87Å |
| 535 | T | 44.1 | Very low | 57.1 | Low | 66 Ų | 66 | 81.3 Ų | 81.3 | 41% | 0.405 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -19.3 | 178.5 | -45 | 0 | 0 | 0 | 0 | 114.4 | I533 K539 | I533-T535 PolarHBondContact O-N 3.47Å; I533-T535 VanDerWaalsContact O-N 3.11Å; T535-K539 WeakPolarHBondContact O-CD 3.23Å; T535-K539 WeakPolarHBondContact O-CG 3.47Å |
| 536 | F | 43.6 | Very low | 54.7 | Low | 100 Ų | 100 | 86.8 Ų | 86.8 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -94 | -27.7 | -175.5 | -65 | -92.1 | 0 | 0 | 0 | 113.5 | I533 G534 | I533-F536 PolarHBondContact O-N 3.21Å; I533-F536 VanDerWaalsContact O-N 3.14Å; G534-F536 PolarHBondContact O-N 3.19Å; G534-F536 VanDerWaalsContact O-N 3.09Å |
| 537 | V | 44.2 | Very low | 52.4 | Low | 75 Ų | 75 | 91.9 Ų | 91.9 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -75.1 | -27.5 | -177.6 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | G534 | G534-V537 PolarHBondContact O-N 2.87Å |
| 538 | S | 37.8 | Very low | 50.1 | Low | 85 Ų | 85 | 94.2 Ų | 94.2 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -90.2 | -16.8 | -177.7 | 51.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 539 | K | 36.2 | Very low | 47.8 | Very low | 157 Ų | 157 | 99.3 Ų | 99.3 | 68% | 0.683 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -14.2 | -175.7 | -79.3 | -177.8 | 177.5 | 177.9 | 0 | 115.2 | T535 | T535-K539 WeakPolarHBondContact O-CD 3.23Å; T535-K539 WeakPolarHBondContact O-CG 3.47Å |
| 540 | S | 38.6 | Very low | 46.3 | Very low | 69 Ų | 69 | 96.7 Ų | 96.7 | 48% | 0.483 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | 13.9 | -179.3 | 64.1 | 0 | 0 | 0 | 0 | 114.3 | T542 | S540-T542 PolarHBondContact O-N 2.94Š|
| 541 | A | 35.9 | Very low | 44.8 | Very low | 93 Ų | 93 | 95.9 Ų | 95.9 | 77% | 0.769 | 57% | 0.568 | S | S | * | * | trans | -80.6 | 44.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 542 | T | 40.2 | Very low | 43.7 | Very low | 120 Ų | 120 | 91 Ų | 91 | 74% | 0.736 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -135.1 | 122.5 | -174.1 | -36.7 | 0 | 0 | 0 | 0 | 111.7 | S540 | S540-T542 PolarHBondContact O-N 2.94Š|
| 543 | A | 40.5 | Very low | 42.6 | Very low | 90 Ų | 90 | 94.7 Ų | 94.7 | 74% | 0.744 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 65.8 | 135.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | S545 | A543-S545 PolarHBondContact O-N 2.97Š|
| 544 | P | 40.4 | Very low | 41.4 | Very low | 133 Ų | 133 | 97.5 Ų | 97.5 | 86% | 0.864 | 59% | 0.585 | S | S | * | * | trans | -84.3 | 103 | 174.7 | 32.7 | -31.9 | 0 | 0 | 0 | 111.4 | ||||
| 545 | S | 42.7 | Very low | 41 | Very low | 83 Ų | 83 | 100.8 Ų | 100.8 | 58% | 0.58 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 154.3 | 163.2 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | A543 | A543-S545 PolarHBondContact O-N 2.97Š|
| 546 | P | 42.5 | Very low | 40.9 | Very low | 124 Ų | 124 | 106.7 Ų | 106.7 | 81% | 0.805 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 138.6 | 170.8 | 27.3 | -33.9 | 0 | 0 | 0 | 110.3 | ||
| 547 | K | 39.5 | Very low | 40.3 | Very low | 195 Ų | 195 | 107.2 Ų | 107.2 | 85% | 0.848 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 126 | -173.4 | -59 | 171.2 | -176.4 | 172.5 | 0 | 111.4 | H549 | K547-H549 PolarHBondContact O-N 3.48Š|
| 548 | P | 43.3 | Very low | 39.9 | Very low | 54 Ų | 54 | 115.3 Ų | 115.3 | 35% | 0.351 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 127.7 | 163.2 | 27.4 | -32.5 | 0 | 0 | 0 | 108.8 | I550 | P548-I550 HydrophobicContact CB-CG1 4.42Å; P548-I550 PolarHBondContact O-N 3.26Å |
| 549 | H | 40.3 | Very low | 40 | Very low | 167 Ų | 167 | 116.9 Ų | 116.9 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | trans | -85.8 | 49.6 | -168.3 | -155.6 | -70.6 | 0 | 0 | 0 | 112.7 | K547 V551 | K547-H549 PolarHBondContact O-N 3.48Å; H549-V551 VanDerWaalsContact C-N 3.34Å; H549-V551 WeakPolarHBondContact ND1-CG2 3.37Å; H549-V551 PolarHBondContact O-N 3.41Å | ||
| 550 | I | 52.6 | Low | 40.2 | Very low | 38 Ų | 38 | 114.7 Ų | 114.7 | 20% | 0.195 | 68% | 0.683 | C | S | . | * | trans | -69.4 | 90.7 | 178.8 | -56.6 | 174.8 | 0 | 0 | 0 | 108.8 | L443 N471 P548 V552 | L443-I550 HydrophobicContact CD1-CD1 3.75Å; L443-I550 HydrophobicContact CD1-CG2 4.38Å; N471-I550 HydrophobicContact CB-CD1 4.13Å; P548-I550 HydrophobicContact CB-CG1 4.42Å; P548-I550 PolarHBondContact O-N 3.26Å; I550-V552 HydrophobicContact CG2-CG2 4.08Å; I550-V552 PolarHBondContact O-N 3.37Å | ||
| 551 | V | 42.3 | Very low | 40.3 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 54% | 0.539 | 69% | 0.694 | S | S | . | * | trans | -70.2 | 100.6 | 172.7 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | H549 D553 | H549-V551 VanDerWaalsContact C-N 3.34Å; H549-V551 WeakPolarHBondContact ND1-CG2 3.37Å; H549-V551 PolarHBondContact O-N 3.41Å; V551-D553 WeakPolarHBondContact CG1-OD1 3.36Å; V551-D553 PolarHBondContact O-N 2.8Å | ||
| 552 | V | 43.3 | Very low | 40.5 | Very low | 59 Ų | 59 | 118.7 Ų | 118.7 | 36% | 0.358 | 69% | 0.689 | S | S | . | * | trans | -80.5 | 76.8 | 171 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | K444 I550 S554 | K444-V552 HydrophobicContact CD-CG1 3.65Å; I550-V552 HydrophobicContact CG2-CG2 4.08Å; I550-V552 PolarHBondContact O-N 3.37Å; V552-S554 PolarHBondContact O-N 3.38Å; V552-S554 VanDerWaalsContact O-N 3.11Å; V552-S554 PolarHBondContact O-OG 3.23Å | ||
| 553 | D | 36.6 | Very low | 40.6 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | trans | -51.2 | 122.5 | 171.2 | -82.9 | -28.6 | 0 | 0 | 0 | 108.9 | V551 P555 | V551-D553 WeakPolarHBondContact CG1-OD1 3.36Å; V551-D553 PolarHBondContact O-N 2.8Å; D553-P555 WeakPolarHBondContact O-CD 3.37Å | ||
| 554 | S | 33.5 | Very low | 40.6 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 53% | 0.531 | 68% | 0.683 | S | S | . | * | trans | -118.1 | 94.4 | -175.7 | -65.6 | 0 | 0 | 0 | 0 | 107.1 | V552 | V552-S554 PolarHBondContact O-N 3.38Å; V552-S554 VanDerWaalsContact O-N 3.11Å; V552-S554 PolarHBondContact O-OG 3.23Å | ||
| 555 | P | 43.2 | Very low | 40.6 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 71% | 0.708 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -59.3 | 141.7 | 165.5 | 26.9 | -33.5 | 0 | 0 | 0 | 108.5 | D553 | D553-P555 WeakPolarHBondContact O-CD 3.37Š|
| 556 | H | 41.2 | Very low | 40.4 | Very low | 191 Ų | 191 | 122.5 Ų | 122.5 | 88% | 0.884 | 68% | 0.676 | S | S | * | * | trans | 84 | 82 | -174 | -48.2 | -5.4 | 0 | 0 | 0 | 114.6 | ||||
| 557 | S | 32.4 | Very low | 40.3 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 67% | 0.666 | S | S | * | * | trans | -146.1 | 87.8 | 147.2 | 61.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 558 | D | 34.9 | Very low | 40.3 | Very low | 246 Ų | 246 | 115.7 Ų | 115.7 | 100% | 1.316 | 65% | 0.649 | S | S | * | * | trans | -103.2 | 0 | 150 | -73.3 | -52.1 | 0 | 0 | 0 | 106.8 |
Retrieved 558 of 558 residues in 615.1 ms
(Link to these results)