| 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 | 27 | Very low | 38.6 | Very low | 197 Ų | 197 | 117.1 Ų | 117.1 | 97% | 0.97 | 58% | 0.577 | S | S | * | * | 0 | -59.1 | 0 | -76.4 | -179.1 | -178.2 | 0 | 0 | 112.6 | T3 I4 Q5 | M1-T3 VanDerWaalsContact C-N 3.25Å; M1-T3 PolarHBondContact O-N 2.58Å; M1-T3 VanDerWaalsContact O-N 3.14Å; M1-I4 PolarHBondContact O-N 3.25Å; M1-Q5 PolarHBondContact O-N 3.01Å; M1-Q5 VanDerWaalsContact O-N 3.07Å | |||
| 2 | K | 28.9 | Very low | 40.6 | Very low | 179 Ų | 179 | 111.2 Ų | 111.2 | 78% | 0.778 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -54.1 | -33.8 | 178.4 | -74.1 | -175.6 | 176 | -179.9 | 0 | 115 | K6 | K2-K6 PolarHBondContact O-N 2.77Å; K2-K6 VanDerWaalsContact O-N 3.09Å |
| 3 | T | 31.3 | Very low | 42.8 | Very low | 105 Ų | 105 | 115.8 Ų | 115.8 | 64% | 0.644 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.7 | -32.7 | 178.1 | -25.9 | 0 | 0 | 0 | 0 | 113.3 | M1 H7 | M1-T3 VanDerWaalsContact C-N 3.25Å; M1-T3 PolarHBondContact O-N 2.58Å; M1-T3 VanDerWaalsContact O-N 3.14Å; T3-H7 PolarHBondContact O-CD2 3.38Å; T3-H7 VanDerWaalsContact O-CD2 3.31Å; T3-H7 PolarHBondContact O-N 2.9Å |
| 4 | I | 35.1 | Very low | 45.3 | Very low | 113 Ų | 113 | 113.7 Ų | 113.7 | 58% | 0.579 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -74.2 | -37.5 | 175.2 | -63.9 | 173.5 | 0 | 0 | 0 | 109.6 | M1 H7 H8 | M1-I4 PolarHBondContact O-N 3.25Å; I4-H7 PolarHBondContact O-N 2.86Å; I4-H8 PolarHBondContact O-N 3.49Å |
| 5 | Q | 32.5 | Very low | 47.6 | Very low | 123 Ų | 123 | 111.3 Ų | 111.3 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 177.4 | -136.9 | 164.8 | 1.2 | 0 | 0 | 112.2 | M1 H7 H8 D9 | M1-Q5 PolarHBondContact O-N 3.01Å; M1-Q5 VanDerWaalsContact O-N 3.07Å; Q5-H7 VanDerWaalsContact C-N 3.29Å; Q5-H7 PolarHBondContact O-N 2.81Å; Q5-H8 WeakPolarHBondContact O-CB 3.34Å; Q5-H8 PolarHBondContact O-N 3.47Å; Q5-H8 VanDerWaalsContact O-N 3.15Å; Q5-D9 PolarHBondContact O-N 3.02Å |
| 6 | K | 36.2 | Very low | 49.3 | Very low | 172 Ų | 172 | 109.4 Ų | 109.4 | 75% | 0.748 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -30.9 | 172.8 | -88.8 | -169.3 | 173.8 | -174.5 | 0 | 114 | K2 | K2-K6 PolarHBondContact O-N 2.77Å; K2-K6 VanDerWaalsContact O-N 3.09Å |
| 7 | H | 38.4 | Very low | 51 | Low | 131 Ų | 131 | 111.9 Ų | 111.9 | 61% | 0.606 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -76 | -33.7 | 173.6 | -83.5 | -62.6 | 0 | 0 | 0 | 112.1 | T3 I4 Q5 S10 | T3-H7 PolarHBondContact O-CD2 3.38Å; T3-H7 VanDerWaalsContact O-CD2 3.31Å; T3-H7 PolarHBondContact O-N 2.9Å; I4-H7 PolarHBondContact O-N 2.86Å; Q5-H7 VanDerWaalsContact C-N 3.29Å; Q5-H7 PolarHBondContact O-N 2.81Å; H7-S10 WeakPolarHBondContact O-CB 3.13Å; H7-S10 PolarHBondContact O-N 3.4Å; H7-S10 PolarHBondContact O-OG 3.08Å |
| 8 | H | 38.4 | Very low | 52.9 | Low | 57 Ų | 57 | 107.4 Ų | 107.4 | 26% | 0.264 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -49.6 | 174.3 | -101.1 | -88.9 | 0 | 0 | 0 | 112.5 | I4 Q5 S10 L11 H48 S726 | I4-H8 PolarHBondContact O-N 3.49Å; Q5-H8 WeakPolarHBondContact O-CB 3.34Å; Q5-H8 PolarHBondContact O-N 3.47Å; Q5-H8 VanDerWaalsContact O-N 3.15Å; H8-S10 PolarHBondContact O-N 3.49Å; H8-L11 PolarHBondContact O-N 3.12Å; H8-H48 AromaticContact CE1-CE1 3.26Å; H8-H48 PolarHBondContact CE1-CE1 2.66Å; H8-H48 AromaticContact CE1-NE2 3.37Å; H8-H48 PolarHBondContact CE1-NE2 3.46Å; H8-H48 AromaticContact ND1-CE1 3.71Å; H8-H48 AromaticContact ND1-NE2 3.63Å; H8-H48 AromaticContact NE2-CE1 3.69Å; H8-S726 PolarHBondContact CE1-O 3.38Å; H8-S726 PolarHBondContact ND1-O 3.22Å |
| 9 | D | 45.2 | Very low | 54.8 | Low | 130 Ų | 130 | 107.4 Ų | 107.4 | 70% | 0.695 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -12.9 | 177.2 | -69.3 | -18.9 | 0 | 0 | 0 | 112.8 | Q5 | Q5-D9 PolarHBondContact O-N 3.02Š|
| 10 | S | 51.9 | Low | 56.6 | Low | 38 Ų | 38 | 104.5 Ų | 104.5 | 27% | 0.266 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -15.3 | -174.7 | 84.9 | 0 | 0 | 0 | 0 | 115.5 | H7 H8 R13 | H7-S10 WeakPolarHBondContact O-CB 3.13Å; H7-S10 PolarHBondContact O-N 3.4Å; H7-S10 PolarHBondContact O-OG 3.08Å; H8-S10 PolarHBondContact O-N 3.49Å; S10-R13 WeakPolarHBondContact O-CG 3.49Å; S10-R13 PolarHBondContact O-NE 3.28Å |
| 11 | L | 59.4 | Low | 58.3 | Low | 43 Ų | 43 | 104 Ų | 104 | 23% | 0.225 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -34.4 | -171.8 | -72 | 167.5 | 0 | 0 | 0 | 113.5 | H8 R13 H48 | H8-L11 PolarHBondContact O-N 3.12Å; L11-R13 PolarHBondContact O-N 3.4Å; L11-H48 HydrophobicContact CD1-CB 3.92Å; L11-H48 WeakPolarHBondContact CD1-ND1 3.43Å |
| 12 | I | 63.1 | Low | 61.3 | Low | 46 Ų | 46 | 95.8 Ų | 95.8 | 24% | 0.236 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -95.2 | 72.9 | 173.6 | -54.1 | 174.6 | 0 | 0 | 0 | 108.1 | K14 Y31 F45 A659 Q662 N663 | I12-K14 PolarHBondContact O-N 2.98Å; I12-Y31 HydrophobicContact CG2-CE1 3.69Å; I12-F45 HydrophobicContact CD1-CE2 4.42Å; I12-F45 HydrophobicContact CG1-CE2 3.89Å; I12-A659 HydrophobicContact CG2-CB 4.48Å; I12-Q662 HydrophobicContact CD1-CB 4.03Å; I12-N663 HydrophobicContact CG2-CB 4.33Å |
| 13 | R | 69.6 | Low | 64.4 | Low | 171 Ų | 171 | 91.4 Ų | 91.4 | 65% | 0.645 | 45% | 0.449 | S | S | * | . | trans | -81.8 | 116.1 | 174.4 | -73.9 | -174.3 | -174 | -163.4 | -0.5 | 110.1 | S10 L11 W33 | S10-R13 WeakPolarHBondContact O-CG 3.49Å; S10-R13 PolarHBondContact O-NE 3.28Å; L11-R13 PolarHBondContact O-N 3.4Å; R13-W33 PolarHBondContact O-NE1 2.98Å | ||
| 14 | K | 76.7 | Confident | 67.4 | Low | 87 Ų | 87 | 89.3 Ų | 89.3 | 38% | 0.378 | 45% | 0.449 | S | S | . | . | trans | -73 | 124.8 | 167.8 | -153 | -178.8 | -172.8 | -139.7 | 0 | 108.8 | I12 D16 P30 | I12-K14 PolarHBondContact O-N 2.98Å; K14-D16 WeakPolarHBondContact CD-OD1 3.41Å; K14-D16 WeakPolarHBondContact CD-OD2 3.45Å; K14-D16 WeakPolarHBondContact CE-OD1 3.41Å; K14-D16 WeakPolarHBondContact CG-OD1 3.34Å; K14-D16 IonicContact NZ-OD1 2.77Å; K14-D16 PolarHBondContact NZ-OD1 3.07Å; K14-D16 IonicContact NZ-OD2 3.2Å; K14-D16 PolarHBondContact NZ-OD2 3.2Å; K14-P30 HydrophobicContact CB-CB 4.32Å; K14-P30 HydrophobicContact CD-CB 4.25Å; K14-P30 HydrophobicContact CG-CB 3.26Å; K14-P30 HydrophobicContact CG-CG 4.01Å | ||
| 15 | N | 80 | Confident | 70.2 | Confident | 77 Ų | 77 | 88.2 Ų | 88.2 | 41% | 0.412 | 44% | 0.44 | S | S | . | . | trans | -109.5 | 80.8 | 168.7 | -175.5 | 15.7 | 0 | 0 | 0 | 110.3 | L17 C18 P30 | N15-L17 PolarHBondContact O-N 3.41Å; N15-L17 WeakPolarHBondContact OD1-CB 3.5Å; N15-L17 PolarHBondContact OD1-N 3.38Å; N15-C18 PolarHBondContact O-N 3.16Å; N15-P30 PolarHBondContact N-O 3.01Å; N15-P30 WeakPolarHBondContact O-CA 3.22Å | ||
| 16 | D | 74.7 | Confident | 73.1 | Confident | 82 Ų | 82 | 87 Ų | 87 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.8 | -178.9 | -70 | -37.9 | 0 | 0 | 0 | 114.1 | K14 C18 | K14-D16 WeakPolarHBondContact CD-OD1 3.41Å; K14-D16 WeakPolarHBondContact CD-OD2 3.45Å; K14-D16 WeakPolarHBondContact CE-OD1 3.41Å; K14-D16 WeakPolarHBondContact CG-OD1 3.34Å; K14-D16 IonicContact NZ-OD1 2.77Å; K14-D16 PolarHBondContact NZ-OD1 3.07Å; K14-D16 IonicContact NZ-OD2 3.2Å; K14-D16 PolarHBondContact NZ-OD2 3.2Å; D16-C18 VanDerWaalsContact C-N 3.26Å; D16-C18 PolarHBondContact O-N 3.49Å |
| 17 | L | 79.1 | Confident | 75.8 | Confident | 152 Ų | 152 | 80.1 Ų | 80.1 | 80% | 0.796 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -18.3 | 173.9 | -59 | 175.2 | 0 | 0 | 0 | 112.7 | N15 Q19 | N15-L17 PolarHBondContact O-N 3.41Å; N15-L17 WeakPolarHBondContact OD1-CB 3.5Å; N15-L17 PolarHBondContact OD1-N 3.38Å; L17-Q19 PolarHBondContact O-N 2.77Å |
| 18 | C | 85.2 | Confident | 78.4 | Confident | 30 Ų | 30 | 77 Ų | 77 | 20% | 0.203 | 40% | 0.399 | C | S | . | . | trans | -81.8 | 104.5 | 176.1 | -166.5 | 0 | 0 | 0 | 0 | 109.3 | N15 D16 T28 D29 R32 | N15-C18 PolarHBondContact O-N 3.16Å; D16-C18 VanDerWaalsContact C-N 3.26Å; D16-C18 PolarHBondContact O-N 3.49Å; C18-T28 WeakPolarHBondContact O-CA 3.39Å; C18-D29 WeakPolarHBondContact CB-O 3.42Å; C18-D29 PolarHBondContact O-N 2.83Å; C18-R32 HydrophobicContact CB-CB 4.33Å; C18-R32 VanDerWaalsContact SG-CB 3.51Å | ||
| 19 | Q | 88.9 | Confident | 80.9 | Confident | 108 Ų | 108 | 74.7 Ų | 74.7 | 51% | 0.505 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.5 | 177.6 | 60.1 | -177.9 | -22.6 | 0 | 0 | 110.2 | L17 I27 | L17-Q19 PolarHBondContact O-N 2.77Å; Q19-I27 CarbonylContact C-O 3.56Å; Q19-I27 VanDerWaalsContact CA-O 3.22Å; Q19-I27 WeakPolarHBondContact CA-O 3.17Å |
| 20 | E | 90.4 | Very high | 83.1 | Confident | 49 Ų | 49 | 69.1 Ų | 69.1 | 23% | 0.229 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 142.3 | 171.4 | -69 | -177 | -169.1 | 0 | 0 | 108.9 | F22 I27 R32 H590 K593 | E20-F22 HydrophobicContact CB-CD2 4.25Å; E20-F22 HydrophobicContact CB-CE2 3.59Å; E20-F22 HydrophobicContact CB-CZ 4.07Å; E20-F22 WeakPolarHBondContact OE2-CZ 3.45Å; E20-I27 PolarHBondContact N-O 2.85Å; E20-I27 PolarHBondContact O-N 2.73Å; E20-R32 IonicContact OE1-CZ 3.49Å; E20-R32 IonicContact OE1-NH1 3.95Å; E20-R32 IonicContact OE1-NH2 3.06Å; E20-R32 PolarHBondContact OE1-NH2 3.43Å; E20-H590 VanDerWaalsContact CD-NE2 3.3Å; E20-H590 IonicContact OE1-CE1 3.59Å; E20-H590 IonicContact OE1-NE2 3.61Å; E20-H590 PolarHBondContact OE1-NE2 2.85Å; E20-H590 IonicContact OE2-CD2 2.84Å; E20-H590 IonicContact OE2-CE1 3.74Å; E20-H590 IonicContact OE2-NE2 3.83Å; E20-H590 PolarHBondContact OE2-NE2 2.87Å; E20-K593 IonicContact OE1-NZ 3.85Å; E20-K593 PolarHBondContact OE1-NZ 2.95Å; E20-K593 IonicContact OE2-NZ 3.47Å |
| 21 | N | 91.5 | Very high | 85.1 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.8 | 175.9 | -171.8 | -78.4 | 0 | 0 | 0 | 109.6 | G24 K25 N26 | N21-G24 WeakPolarHBondContact OD1-CA 3.24Å; N21-G24 PolarHBondContact OD1-N 2.8Å; N21-K25 WeakPolarHBondContact CA-O 2.9Å; N21-N26 PolarHBondContact ND2-OD1 3.33Å |
| 22 | F | 91.4 | Very high | 86.6 | Confident | 24 Ų | 24 | 67 Ų | 67 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 114.7 | 173.5 | -65.4 | -80.4 | 0 | 0 | 0 | 108.7 | E20 G24 K25 I27 L589 L607 F613 | E20-F22 HydrophobicContact CB-CD2 4.25Å; E20-F22 HydrophobicContact CB-CE2 3.59Å; E20-F22 HydrophobicContact CB-CZ 4.07Å; E20-F22 WeakPolarHBondContact OE2-CZ 3.45Å; F22-G24 PolarHBondContact O-N 3.06Å; F22-G24 VanDerWaalsContact O-N 3.14Å; F22-K25 PolarHBondContact N-O 3.4Å; F22-K25 WeakPolarHBondContact O-CB 3.46Å; F22-K25 PolarHBondContact O-N 2.8Å; F22-I27 HydrophobicContact CD2-CB 4.35Å; F22-I27 HydrophobicContact CD2-CG1 3.99Å; F22-L589 HydrophobicContact CE2-CD1 4.42Å; F22-L607 HydrophobicContact CD1-CD2 3.98Å; F22-L607 HydrophobicContact CD1-CG 4.44Å; F22-L607 HydrophobicContact CE1-CD2 3.37Å; F22-L607 HydrophobicContact CE1-CG 4.27Å; F22-L607 HydrophobicContact CZ-CD2 3.94Å; F22-F613 HydrophobicContact CB-CD1 4.44Å; F22-F613 HydrophobicContact CB-CD2 3.71Å; F22-F613 HydrophobicContact CB-CE1 4.03Å; F22-F613 HydrophobicContact CB-CE2 3.27Å; F22-F613 HydrophobicContact CB-CG 4.28Å; F22-F613 HydrophobicContact CB-CZ 3.44Å; F22-F613 VanDerWaalsContact CB-CZ 3.44Å; F22-F613 HydrophobicContact CD1-CD2 4.34Å; F22-F613 HydrophobicContact CD1-CE2 4.42Å; F22-F613 AromaticContact CD2-CE2 3.97Å; F22-F613 HydrophobicContact CD2-CE2 3.97Å; F22-F613 HydrophobicContact CG-CD2 4.01Å; F22-F613 AromaticContact CG-CE2 3.65Å; F22-F613 HydrophobicContact CG-CE2 3.65Å; F22-F613 HydrophobicContact CG-CZ 4.29Å |
| 23 | F | 94.3 | Very high | 87.9 | Confident | 88 Ų | 88 | 66.5 Ų | 66.5 | 39% | 0.386 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 41.5 | 177.7 | -51.6 | -82.7 | 0 | 0 | 0 | 113 | K25 L607 Y608 E610 F613 | F23-K25 VanDerWaalsContact C-N 3.3Å; F23-K25 PolarHBondContact O-N 2.85Å; F23-L607 WeakPolarHBondContact CE2-O 3.36Å; F23-Y608 WeakPolarHBondContact CZ-O 3.43Å; F23-E610 HydrophobicContact CB-CG 4.14Å; F23-E610 HydrophobicContact CD1-CB 3.71Å; F23-E610 HydrophobicContact CD1-CG 4Å; F23-E610 HydrophobicContact CD2-CB 4.33Å; F23-E610 HydrophobicContact CD2-CG 4.29Å; F23-E610 HydrophobicContact CE1-CB 3.77Å; F23-E610 HydrophobicContact CE2-CB 4.39Å; F23-E610 HydrophobicContact CG-CB 4Å; F23-E610 HydrophobicContact CG-CG 3.87Å; F23-E610 HydrophobicContact CZ-CB 4.12Å; F23-F613 HydrophobicContact CD2-CB 3.86Å; F23-F613 AromaticContact CD2-CD1 3.49Å; F23-F613 HydrophobicContact CD2-CD1 3.49Å; F23-F613 VanDerWaalsContact CD2-CD1 3.49Å; F23-F613 HydrophobicContact CD2-CD2 4.48Å; F23-F613 HydrophobicContact CD2-CE1 4.14Å; F23-F613 AromaticContact CD2-CG 3.68Å; F23-F613 HydrophobicContact CD2-CG 3.68Å; F23-F613 HydrophobicContact CE2-CB 3.52Å; F23-F613 HydrophobicContact CE2-CD1 4.09Å; F23-F613 AromaticContact CE2-CG 3.83Å; F23-F613 HydrophobicContact CE2-CG 3.83Å; F23-F613 HydrophobicContact CG-CD1 4.44Å |
| 24 | G | 93.4 | Very high | 88.9 | Confident | 61 Ų | 61 | 58.4 Ų | 58.4 | 63% | 0.629 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -6.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N21 F22 | N21-G24 WeakPolarHBondContact OD1-CA 3.24Å; N21-G24 PolarHBondContact OD1-N 2.8Å; F22-G24 PolarHBondContact O-N 3.06Å; F22-G24 VanDerWaalsContact O-N 3.14Å |
| 25 | K | 93.2 | Very high | 89.5 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 39% | 0.387 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.1 | 174.6 | -58.7 | -173.8 | -169.8 | 167.3 | 0 | 110.5 | N21 F22 F23 I27 F613 N614 | N21-K25 WeakPolarHBondContact CA-O 2.9Å; F22-K25 PolarHBondContact N-O 3.4Å; F22-K25 WeakPolarHBondContact O-CB 3.46Å; F22-K25 PolarHBondContact O-N 2.8Å; F23-K25 VanDerWaalsContact C-N 3.3Å; F23-K25 PolarHBondContact O-N 2.85Å; K25-I27 HydrophobicContact CB-CD1 4.35Å; K25-I27 PolarHBondContact O-N 3.14Å; K25-F613 HydrophobicContact CB-CZ 4.36Å; K25-F613 HydrophobicContact CD-CE1 3.95Å; K25-F613 HydrophobicContact CD-CZ 4.26Å; K25-N614 PolarHBondContact NZ-OD1 2.77Å |
| 26 | N | 93.5 | Very high | 89.7 | Confident | 98 Ų | 98 | 57.7 Ų | 57.7 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 116.1 | 171 | -70 | -21.4 | 0 | 0 | 0 | 109.6 | N21 | N21-N26 PolarHBondContact ND2-OD1 3.33Å |
| 27 | I | 93.9 | Very high | 89.6 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 14% | 0.138 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.6 | 176.2 | -52.5 | -60.8 | 0 | 0 | 0 | 108.9 | Q19 E20 F22 K25 L589 F613 L617 | Q19-I27 CarbonylContact C-O 3.56Å; Q19-I27 VanDerWaalsContact CA-O 3.22Å; Q19-I27 WeakPolarHBondContact CA-O 3.17Å; E20-I27 PolarHBondContact N-O 2.85Å; E20-I27 PolarHBondContact O-N 2.73Å; F22-I27 HydrophobicContact CD2-CB 4.35Å; F22-I27 HydrophobicContact CD2-CG1 3.99Å; K25-I27 HydrophobicContact CB-CD1 4.35Å; K25-I27 PolarHBondContact O-N 3.14Å; I27-L589 HydrophobicContact CB-CD1 4.29Å; I27-L589 HydrophobicContact CG1-CD1 4.13Å; I27-L589 HydrophobicContact CG2-CD1 3.74Å; I27-F613 HydrophobicContact CD1-CZ 4.48Å; I27-F613 HydrophobicContact CG1-CE2 4.44Å; I27-F613 HydrophobicContact CG1-CZ 4.35Å; I27-L617 HydrophobicContact CD1-CD1 4.21Å; I27-L617 HydrophobicContact CD1-CD2 4.18Å |
| 28 | T | 92.1 | Very high | 89.4 | Confident | 66 Ų | 66 | 61.1 Ų | 61.1 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 134.7 | 176.6 | 55.4 | 0 | 0 | 0 | 0 | 111 | C18 P30 | C18-T28 WeakPolarHBondContact O-CA 3.39Å; T28-P30 WeakPolarHBondContact O-CD 3.38Å |
| 29 | D | 91.8 | Very high | 89.2 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | trans | -121.6 | 78 | 169 | -179.8 | 7.5 | 0 | 0 | 0 | 110.2 | C18 Y31 R32 H590 K656 | C18-D29 WeakPolarHBondContact CB-O 3.42Å; C18-D29 PolarHBondContact O-N 2.83Å; D29-Y31 PolarHBondContact O-N 3.44Å; D29-Y31 VanDerWaalsContact O-N 3.1Å; D29-Y31 PolarHBondContact OD1-N 3.45Å; D29-R32 WeakPolarHBondContact O-CB 3.47Å; D29-R32 PolarHBondContact O-N 3.35Å; D29-R32 PolarHBondContact OD1-N 3.28Å; D29-R32 IonicContact OD2-CZ 3.84Å; D29-R32 IonicContact OD2-NE 2.71Å; D29-R32 PolarHBondContact OD2-NE 2.93Å; D29-R32 IonicContact OD2-NH1 3.2Å; D29-R32 IonicContact OD2-NH2 2.75Å; D29-R32 PolarHBondContact OD2-NH2 3.05Å; D29-H590 IonicContact OD2-CE1 3.25Å; D29-H590 IonicContact OD2-ND1 3.83Å; D29-K656 IonicContact OD1-NZ 2.6Å; D29-K656 IonicContact OD2-NZ 3.76Å; D29-K656 PolarHBondContact OD2-NZ 3.07Å | ||
| 30 | P | 92 | Very high | 89 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15.9 | -172.7 | 26 | -34.5 | 0 | 0 | 0 | 114.4 | K14 N15 T28 | K14-P30 HydrophobicContact CB-CB 4.32Å; K14-P30 HydrophobicContact CD-CB 4.25Å; K14-P30 HydrophobicContact CG-CB 3.26Å; K14-P30 HydrophobicContact CG-CG 4.01Å; N15-P30 PolarHBondContact N-O 3.01Å; N15-P30 WeakPolarHBondContact O-CA 3.22Å; T28-P30 WeakPolarHBondContact O-CD 3.38Å |
| 31 | Y | 93.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 14.2 | -177 | -56.4 | -62.8 | 0 | 0 | 0 | 113 | I12 D29 W33 L34 A659 T660 N663 | I12-Y31 HydrophobicContact CG2-CE1 3.69Å; D29-Y31 PolarHBondContact O-N 3.44Å; D29-Y31 VanDerWaalsContact O-N 3.1Å; D29-Y31 PolarHBondContact OD1-N 3.45Å; Y31-W33 PolarHBondContact O-N 3.21Å; Y31-L34 HydrophobicContact CG-CD1 4.46Å; Y31-L34 WeakPolarHBondContact O-CB 3.49Å; Y31-L34 PolarHBondContact O-N 2.62Å; Y31-A659 HydrophobicContact CD1-CB 3.6Å; Y31-A659 HydrophobicContact CD2-CB 4.17Å; Y31-A659 HydrophobicContact CE1-CB 3.73Å; Y31-A659 HydrophobicContact CE2-CB 4.29Å; Y31-A659 HydrophobicContact CG-CB 3.85Å; Y31-A659 PolarHBondContact OH-O 3.12Å; Y31-T660 VanDerWaalsContact CD2-OG1 3.28Å; Y31-T660 WeakPolarHBondContact CD2-OG1 3.29Å; Y31-T660 HydrophobicContact CE2-CG2 4.43Å; Y31-T660 VanDerWaalsContact CE2-OG1 3.31Å; Y31-T660 WeakPolarHBondContact CE2-OG1 2.89Å; Y31-N663 WeakPolarHBondContact OH-CB 3.38Å; Y31-N663 PolarHBondContact OH-ND2 2.96Å |
| 32 | R | 90.8 | Very high | 88.8 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -48.2 | -32.4 | 173.9 | -178.4 | 55.7 | 58.6 | 134.1 | 48.3 | 114 | C18 E20 D29 L34 E35 H590 | C18-R32 HydrophobicContact CB-CB 4.33Å; C18-R32 VanDerWaalsContact SG-CB 3.51Å; E20-R32 IonicContact OE1-CZ 3.49Å; E20-R32 IonicContact OE1-NH1 3.95Å; E20-R32 IonicContact OE1-NH2 3.06Å; E20-R32 PolarHBondContact OE1-NH2 3.43Å; D29-R32 WeakPolarHBondContact O-CB 3.47Å; D29-R32 PolarHBondContact O-N 3.35Å; D29-R32 PolarHBondContact OD1-N 3.28Å; D29-R32 IonicContact OD2-CZ 3.84Å; D29-R32 IonicContact OD2-NE 2.71Å; D29-R32 PolarHBondContact OD2-NE 2.93Å; D29-R32 IonicContact OD2-NH1 3.2Å; D29-R32 IonicContact OD2-NH2 2.75Å; D29-R32 PolarHBondContact OD2-NH2 3.05Å; R32-L34 PolarHBondContact O-N 3.35Å; R32-L34 VanDerWaalsContact O-N 3.15Å; R32-E35 WeakPolarHBondContact CD-OE1 3.38Å; R32-E35 WeakPolarHBondContact CD-OE2 3.49Å; R32-E35 IonicContact CZ-OE1 3.08Å; R32-E35 IonicContact CZ-OE2 2.74Å; R32-E35 IonicContact NE-OE1 3.51Å; R32-E35 PolarHBondContact NE-OE1 3.12Å; R32-E35 IonicContact NE-OE2 2.66Å; R32-E35 PolarHBondContact NE-OE2 3.38Å; R32-E35 VanDerWaalsContact NH1-CD 3.34Å; R32-E35 IonicContact NH1-OE1 3.95Å; R32-E35 PolarHBondContact NH1-OE1 3.46Å; R32-E35 IonicContact NH1-OE2 3.23Å; R32-E35 PolarHBondContact NH1-OE2 3.25Å; R32-E35 VanDerWaalsContact O-CB 3.31Å; R32-E35 WeakPolarHBondContact O-CB 3.32Å; R32-E35 WeakPolarHBondContact O-CG 3.47Å; R32-E35 PolarHBondContact O-N 3.49Å; R32-H590 VanDerWaalsContact CZ-ND1 3.27Å; R32-H590 PolarHBondContact NH1-CE1 3.41Å; R32-H590 VanDerWaalsContact NH1-CE1 3.31Å; R32-H590 PolarHBondContact NH1-ND1 2.87Å; R32-H590 PolarHBondContact NH2-CE1 3.5Å; R32-H590 PolarHBondContact NH2-ND1 3.06Å; R32-H590 PolarHBondContact NH2-NE2 2.94Å |
| 33 | W | 90.6 | Very high | 88.6 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -62.6 | -20.1 | 179.1 | 67.3 | -94.7 | 0 | 0 | 0 | 113.5 | R13 Y31 E35 Q36 K41 F45 | R13-W33 PolarHBondContact O-NE1 2.98Å; Y31-W33 PolarHBondContact O-N 3.21Å; W33-E35 PolarHBondContact O-N 3.37Å; W33-Q36 WeakPolarHBondContact O-CB 3.38Å; W33-Q36 PolarHBondContact O-N 2.89Å; W33-K41 HydrophobicContact CE3-CB 3.86Å; W33-K41 HydrophobicContact CE3-CD 4.43Å; W33-K41 HydrophobicContact CZ3-CB 3.62Å; W33-F45 HydrophobicContact CH2-CB 4.15Å; W33-F45 HydrophobicContact CH2-CG 4.41Å |
| 34 | L | 91 | Very high | 88.4 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -67.3 | -21.1 | 174.2 | -67.7 | 168.5 | 0 | 0 | 0 | 112.1 | Y31 R32 Q36 P42 F45 I652 L655 K656 A659 | Y31-L34 HydrophobicContact CG-CD1 4.46Å; Y31-L34 WeakPolarHBondContact O-CB 3.49Å; Y31-L34 PolarHBondContact O-N 2.62Å; R32-L34 PolarHBondContact O-N 3.35Å; R32-L34 VanDerWaalsContact O-N 3.15Å; L34-Q36 PolarHBondContact O-N 3.4Å; L34-P42 HydrophobicContact CD2-CB 4.34Å; L34-P42 WeakPolarHBondContact O-CG 3.46Å; L34-F45 HydrophobicContact CD2-CB 4.34Å; L34-F45 HydrophobicContact CD2-CD1 3.85Å; L34-F45 HydrophobicContact CD2-CE1 4.41Å; L34-F45 HydrophobicContact CD2-CG 4.15Å; L34-I652 HydrophobicContact CB-CD1 3.53Å; L34-I652 VanDerWaalsContact O-CD1 3.28Å; L34-I652 WeakPolarHBondContact O-CD1 3.28Å; L34-L655 HydrophobicContact CB-CB 4.42Å; L34-L655 HydrophobicContact CD1-CB 3.93Å; L34-L655 HydrophobicContact CD2-CB 4.44Å; L34-L655 HydrophobicContact CD2-CD1 4.4Å; L34-K656 HydrophobicContact CD1-CG 4.43Å; L34-A659 HydrophobicContact CD1-CB 4.03Å |
| 35 | E | 87.9 | Confident | 88.4 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -74.1 | -12.9 | 178 | -55.1 | -172.8 | 176.8 | 0 | 0 | 112.7 | R32 W33 T37 H590 Y594 I652 K656 | R32-E35 WeakPolarHBondContact CD-OE1 3.38Å; R32-E35 WeakPolarHBondContact CD-OE2 3.49Å; R32-E35 IonicContact CZ-OE1 3.08Å; R32-E35 IonicContact CZ-OE2 2.74Å; R32-E35 IonicContact NE-OE1 3.51Å; R32-E35 PolarHBondContact NE-OE1 3.12Å; R32-E35 IonicContact NE-OE2 2.66Å; R32-E35 PolarHBondContact NE-OE2 3.38Å; R32-E35 VanDerWaalsContact NH1-CD 3.34Å; R32-E35 IonicContact NH1-OE1 3.95Å; R32-E35 PolarHBondContact NH1-OE1 3.46Å; R32-E35 IonicContact NH1-OE2 3.23Å; R32-E35 PolarHBondContact NH1-OE2 3.25Å; R32-E35 VanDerWaalsContact O-CB 3.31Å; R32-E35 WeakPolarHBondContact O-CB 3.32Å; R32-E35 WeakPolarHBondContact O-CG 3.47Å; R32-E35 PolarHBondContact O-N 3.49Å; W33-E35 PolarHBondContact O-N 3.37Å; E35-T37 PolarHBondContact O-N 2.83Å; E35-H590 IonicContact OE1-ND1 3.58Å; E35-Y594 PolarHBondContact OE1-OH 3.06Å; E35-I652 HydrophobicContact CB-CD1 4.33Å; E35-I652 HydrophobicContact CB-CG1 4.5Å; E35-I652 HydrophobicContact CG-CD1 3.83Å; E35-I652 HydrophobicContact CG-CG1 3.8Å; E35-K656 WeakPolarHBondContact OE1-CE 3.25Å; E35-K656 IonicContact OE1-NZ 3.59Å; E35-K656 PolarHBondContact OE1-NZ 2.78Å |
| 36 | Q | 85.4 | Confident | 88.3 | Confident | 103 Ų | 103 | 58.5 Ų | 58.5 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | trans | -79.1 | 84.2 | -173.8 | -62.4 | -178.8 | -19.3 | 0 | 0 | 111.3 | W33 L34 F38 S39 | W33-Q36 WeakPolarHBondContact O-CB 3.38Å; W33-Q36 PolarHBondContact O-N 2.89Å; L34-Q36 PolarHBondContact O-N 3.4Å; Q36-F38 PolarHBondContact O-N 3.03Å; Q36-S39 WeakPolarHBondContact O-CB 3.28Å; Q36-S39 PolarHBondContact O-N 3.43Å | ||
| 37 | T | 72.5 | Confident | 88.2 | Confident | 97 Ų | 97 | 58 Ų | 58 | 60% | 0.595 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.6 | -178.6 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | E35 S39 | E35-T37 PolarHBondContact O-N 2.83Å; T37-S39 VanDerWaalsContact C-N 3.28Å; T37-S39 PolarHBondContact O-N 3.18Å |
| 38 | F | 74 | Confident | 88.2 | Confident | 210 Ų | 210 | 58.6 Ų | 58.6 | 92% | 0.921 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -7.4 | 176.6 | -53.6 | -74.3 | 0 | 0 | 0 | 113.8 | Q36 | Q36-F38 PolarHBondContact O-N 3.03Š|
| 39 | S | 81.4 | Confident | 88.3 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 26% | 0.259 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -92.6 | 144.8 | 178.6 | -167.7 | 0 | 0 | 0 | 0 | 111 | Q36 T37 K41 P42 | Q36-S39 WeakPolarHBondContact O-CB 3.28Å; Q36-S39 PolarHBondContact O-N 3.43Å; T37-S39 VanDerWaalsContact C-N 3.28Å; T37-S39 PolarHBondContact O-N 3.18Å; S39-K41 PolarHBondContact O-N 3.42Å; S39-K41 WeakPolarHBondContact OG-CG 3.2Å; S39-K41 PolarHBondContact OG-N 3.09Å; S39-P42 VanDerWaalsContact O-CD 3.28Å; S39-P42 WeakPolarHBondContact O-CD 3.39Å |
| 40 | N | 85.5 | Confident | 88.3 | Confident | 94 Ų | 94 | 56 Ų | 56 | 50% | 0.503 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -74.6 | -10 | 170.3 | -164.2 | 18 | 0 | 0 | 0 | 112.6 | Y43 Q44 | N40-Y43 PolarHBondContact O-N 2.87Å; N40-Y43 WeakPolarHBondContact OD1-CD1 3.26Å; N40-Q44 WeakPolarHBondContact O-CG 3.01Å; N40-Q44 PolarHBondContact O-N 3.34Å |
| 41 | K | 87.5 | Confident | 88.5 | Confident | 117 Ų | 117 | 63.2 Ų | 63.2 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -47.8 | -175.1 | -64.8 | 177 | -179.8 | 174.3 | 0 | 113.5 | W33 S39 Y43 Q44 F45 | W33-K41 HydrophobicContact CE3-CB 3.86Å; W33-K41 HydrophobicContact CE3-CD 4.43Å; W33-K41 HydrophobicContact CZ3-CB 3.62Å; S39-K41 PolarHBondContact O-N 3.42Å; S39-K41 WeakPolarHBondContact OG-CG 3.2Å; S39-K41 PolarHBondContact OG-N 3.09Å; K41-Y43 VanDerWaalsContact C-N 3.26Å; K41-Y43 PolarHBondContact O-N 2.9Å; K41-Q44 PolarHBondContact O-N 2.76Å; K41-F45 PolarHBondContact O-N 3.37Å |
| 42 | P | 88.6 | Confident | 88.4 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.032 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 177.6 | -21.3 | 34.5 | 0 | 0 | 0 | 111.8 | L34 S39 F45 I46 L655 | L34-P42 HydrophobicContact CD2-CB 4.34Å; L34-P42 WeakPolarHBondContact O-CG 3.46Å; S39-P42 VanDerWaalsContact O-CD 3.28Å; S39-P42 WeakPolarHBondContact O-CD 3.39Å; P42-F45 WeakPolarHBondContact O-CB 3.27Å; P42-F45 PolarHBondContact O-N 3.2Å; P42-I46 WeakPolarHBondContact O-CG1 3.46Å; P42-I46 PolarHBondContact O-N 3.48Å; P42-L655 HydrophobicContact CB-CD1 4.4Å |
| 43 | Y | 88.2 | Confident | 88.6 | Confident | 128 Ų | 128 | 62.2 Ų | 62.2 | 50% | 0.502 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 176 | -175.6 | -107.7 | 0 | 0 | 0 | 112.5 | N40 K41 F45 I46 L47 | N40-Y43 PolarHBondContact O-N 2.87Å; N40-Y43 WeakPolarHBondContact OD1-CD1 3.26Å; K41-Y43 VanDerWaalsContact C-N 3.26Å; K41-Y43 PolarHBondContact O-N 2.9Å; Y43-F45 VanDerWaalsContact C-N 3.3Å; Y43-F45 PolarHBondContact O-N 3.34Å; Y43-I46 PolarHBondContact O-N 3.31Å; Y43-L47 HydrophobicContact CD1-CD1 3.82Å; Y43-L47 HydrophobicContact CD1-CG 4.34Å; Y43-L47 HydrophobicContact CE1-CD1 3.36Å; Y43-L47 HydrophobicContact CE1-CD2 4.47Å; Y43-L47 HydrophobicContact CE1-CG 3.98Å; Y43-L47 HydrophobicContact CE2-CG 4.46Å; Y43-L47 WeakPolarHBondContact O-CG 3.42Å; Y43-L47 PolarHBondContact O-N 3.2Å |
| 44 | Q | 91 | Very high | 88.7 | Confident | 93 Ų | 93 | 63.7 Ų | 63.7 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 172.9 | -72.8 | 177.5 | -7.8 | 0 | 0 | 112.3 | N40 K41 L47 H48 | N40-Q44 WeakPolarHBondContact O-CG 3.01Å; N40-Q44 PolarHBondContact O-N 3.34Å; K41-Q44 PolarHBondContact O-N 2.76Å; Q44-L47 PolarHBondContact O-N 3.44Å; Q44-H48 WeakPolarHBondContact O-CB 3.46Å; Q44-H48 PolarHBondContact O-N 3.45Å |
| 45 | F | 91.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.2 | -49.3 | 173.4 | 178.7 | -104.8 | 0 | 0 | 0 | 110.9 | I12 W33 L34 K41 P42 Y43 L47 H48 Q49 L655 L658 A659 | I12-F45 HydrophobicContact CD1-CE2 4.42Å; I12-F45 HydrophobicContact CG1-CE2 3.89Å; W33-F45 HydrophobicContact CH2-CB 4.15Å; W33-F45 HydrophobicContact CH2-CG 4.41Å; L34-F45 HydrophobicContact CD2-CB 4.34Å; L34-F45 HydrophobicContact CD2-CD1 3.85Å; L34-F45 HydrophobicContact CD2-CE1 4.41Å; L34-F45 HydrophobicContact CD2-CG 4.15Å; K41-F45 PolarHBondContact O-N 3.37Å; P42-F45 WeakPolarHBondContact O-CB 3.27Å; P42-F45 PolarHBondContact O-N 3.2Å; Y43-F45 VanDerWaalsContact C-N 3.3Å; Y43-F45 PolarHBondContact O-N 3.34Å; F45-L47 PolarHBondContact O-N 3.11Å; F45-H48 WeakPolarHBondContact O-CB 3.35Å; F45-H48 PolarHBondContact O-N 2.83Å; F45-Q49 HydrophobicContact CD1-CG 4.3Å; F45-Q49 HydrophobicContact CD2-CG 4.36Å; F45-Q49 HydrophobicContact CE1-CG 3.98Å; F45-Q49 HydrophobicContact CE2-CG 4.02Å; F45-Q49 HydrophobicContact CG-CG 4.48Å; F45-Q49 HydrophobicContact CZ-CG 3.83Å; F45-Q49 VanDerWaalsContact O-CG 3.26Å; F45-Q49 WeakPolarHBondContact O-CG 3.31Å; F45-Q49 PolarHBondContact O-N 3.15Å; F45-L655 HydrophobicContact CD1-CD2 4.06Å; F45-L655 HydrophobicContact CE1-CB 4.4Å; F45-L655 HydrophobicContact CE1-CD2 4.09Å; F45-L658 HydrophobicContact CE1-CD2 4.25Å; F45-L658 HydrophobicContact CZ-CD2 4.24Å; F45-L658 HydrophobicContact CZ-CG 4.29Å; F45-A659 HydrophobicContact CZ-CB 3.99Å |
| 46 | I | 92 | Very high | 89 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.9 | -49.2 | 176.3 | -71 | 161.6 | 0 | 0 | 0 | 111.6 | P42 Y43 H48 Q49 M50 L644 Y651 L655 F682 | P42-I46 WeakPolarHBondContact O-CG1 3.46Å; P42-I46 PolarHBondContact O-N 3.48Å; Y43-I46 PolarHBondContact O-N 3.31Å; I46-H48 VanDerWaalsContact C-N 3.29Å; I46-H48 PolarHBondContact O-N 3.01Å; I46-Q49 PolarHBondContact O-N 3.35Å; I46-M50 HydrophobicContact CG2-CG 4.37Å; I46-M50 WeakPolarHBondContact O-CB 3.32Å; I46-M50 WeakPolarHBondContact O-CG 3.45Å; I46-M50 PolarHBondContact O-N 2.95Å; I46-L644 HydrophobicContact CD1-CD1 4.33Å; I46-L644 HydrophobicContact CD1-CD2 3.87Å; I46-Y651 HydrophobicContact CD1-CE2 4.47Å; I46-L655 HydrophobicContact CD1-CD1 4.2Å; I46-L655 HydrophobicContact CD1-CD2 4.2Å; I46-L655 HydrophobicContact CG1-CD1 4.36Å; I46-L655 HydrophobicContact CG1-CD2 3.62Å; I46-F682 HydrophobicContact CG1-CD1 4.49Å; I46-F682 HydrophobicContact CG2-CB 3.94Å; I46-F682 HydrophobicContact CG2-CD2 3.93Å; I46-F682 HydrophobicContact CG2-CG 3.88Å |
| 47 | L | 91.8 | Very high | 89.3 | Confident | 88 Ų | 88 | 60.5 Ų | 60.5 | 46% | 0.461 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 179.9 | -72.5 | 175.7 | 0 | 0 | 0 | 112.1 | Y43 Q44 F45 K51 | Y43-L47 HydrophobicContact CD1-CD1 3.82Å; Y43-L47 HydrophobicContact CD1-CG 4.34Å; Y43-L47 HydrophobicContact CE1-CD1 3.36Å; Y43-L47 HydrophobicContact CE1-CD2 4.47Å; Y43-L47 HydrophobicContact CE1-CG 3.98Å; Y43-L47 HydrophobicContact CE2-CG 4.46Å; Y43-L47 WeakPolarHBondContact O-CG 3.42Å; Y43-L47 PolarHBondContact O-N 3.2Å; Q44-L47 PolarHBondContact O-N 3.44Å; F45-L47 PolarHBondContact O-N 3.11Å; L47-K51 WeakPolarHBondContact O-CB 3.28Å; L47-K51 PolarHBondContact O-N 3.2Å |
| 48 | H | 92.4 | Very high | 90.2 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 19% | 0.185 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 176.2 | -175 | 83.4 | 0 | 0 | 0 | 111.8 | H8 L11 Q44 F45 I46 M50 K51 Q52 | H8-H48 AromaticContact CE1-CE1 3.26Å; H8-H48 PolarHBondContact CE1-CE1 2.66Å; H8-H48 AromaticContact CE1-NE2 3.37Å; H8-H48 PolarHBondContact CE1-NE2 3.46Å; H8-H48 AromaticContact ND1-CE1 3.71Å; H8-H48 AromaticContact ND1-NE2 3.63Å; H8-H48 AromaticContact NE2-CE1 3.69Å; L11-H48 HydrophobicContact CD1-CB 3.92Å; L11-H48 WeakPolarHBondContact CD1-ND1 3.43Å; Q44-H48 WeakPolarHBondContact O-CB 3.46Å; Q44-H48 PolarHBondContact O-N 3.45Å; F45-H48 WeakPolarHBondContact O-CB 3.35Å; F45-H48 PolarHBondContact O-N 2.83Å; I46-H48 VanDerWaalsContact C-N 3.29Å; I46-H48 PolarHBondContact O-N 3.01Å; H48-M50 PolarHBondContact O-N 2.91Å; H48-K51 PolarHBondContact O-N 3.08Å; H48-Q52 PolarHBondContact NE2-NE2 3.04Å; H48-Q52 PolarHBondContact O-N 3.3Å; H48-Q52 VanDerWaalsContact O-N 3.13Å |
| 49 | Q | 93.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 178.3 | -63.8 | -62.5 | -26.9 | 0 | 0 | 111.2 | F45 I46 K51 Q52 T53 L658 F682 | F45-Q49 HydrophobicContact CD1-CG 4.3Å; F45-Q49 HydrophobicContact CD2-CG 4.36Å; F45-Q49 HydrophobicContact CE1-CG 3.98Å; F45-Q49 HydrophobicContact CE2-CG 4.02Å; F45-Q49 HydrophobicContact CG-CG 4.48Å; F45-Q49 HydrophobicContact CZ-CG 3.83Å; F45-Q49 VanDerWaalsContact O-CG 3.26Å; F45-Q49 WeakPolarHBondContact O-CG 3.31Å; F45-Q49 PolarHBondContact O-N 3.15Å; I46-Q49 PolarHBondContact O-N 3.35Å; Q49-K51 VanDerWaalsContact C-N 3.33Å; Q49-K51 PolarHBondContact O-N 3.07Å; Q49-Q52 PolarHBondContact O-N 3.09Å; Q49-T53 WeakPolarHBondContact O-CB 3.31Å; Q49-T53 PolarHBondContact O-N 3.22Å; Q49-T53 PolarHBondContact O-OG1 3.38Å; Q49-L658 HydrophobicContact CB-CD2 4.01Å; Q49-L658 HydrophobicContact CG-CD2 3.57Å; Q49-F682 HydrophobicContact CB-CE2 3.96Å |
| 50 | M | 93.7 | Very high | 91.4 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 175.2 | -81 | -61.7 | -75.8 | 0 | 0 | 112.4 | I46 H48 Q52 T53 Q54 F682 T684 | I46-M50 HydrophobicContact CG2-CG 4.37Å; I46-M50 WeakPolarHBondContact O-CB 3.32Å; I46-M50 WeakPolarHBondContact O-CG 3.45Å; I46-M50 PolarHBondContact O-N 2.95Å; H48-M50 PolarHBondContact O-N 2.91Å; M50-Q52 PolarHBondContact O-N 3.04Å; M50-T53 PolarHBondContact O-N 3.09Å; M50-Q54 HydrophobicContact CE-CG 4.39Å; M50-Q54 VanDerWaalsContact O-CB 3.3Å; M50-Q54 WeakPolarHBondContact O-CB 3.28Å; M50-Q54 VanDerWaalsContact O-CG 3.23Å; M50-Q54 WeakPolarHBondContact O-CG 3.33Å; M50-Q54 PolarHBondContact O-N 3.31Å; M50-F682 WeakPolarHBondContact CE-O 3.48Å; M50-F682 HydrophobicContact CG-CB 4.19Å; M50-F682 HydrophobicContact CG-CD2 4.03Å; M50-F682 HydrophobicContact SD-CB 4.09Å; M50-F682 HydrophobicContact SD-CD2 4.23Å; M50-F682 PolarHBondContact SD-N 3.17Å; M50-T684 HydrophobicContact CE-CG2 4.24Å |
| 51 | K | 94.5 | Very high | 91.6 | Very high | 163 Ų | 163 | 51.4 Ų | 51.4 | 71% | 0.709 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.9 | -44.3 | 177.5 | -175.5 | 178.6 | 178.2 | 179.7 | 0 | 111.8 | L47 H48 Q49 H55 | L47-K51 WeakPolarHBondContact O-CB 3.28Å; L47-K51 PolarHBondContact O-N 3.2Å; H48-K51 PolarHBondContact O-N 3.08Å; Q49-K51 VanDerWaalsContact C-N 3.33Å; Q49-K51 PolarHBondContact O-N 3.07Å; K51-H55 VanDerWaalsContact O-CB 3.24Å; K51-H55 WeakPolarHBondContact O-CB 3.26Å; K51-H55 PolarHBondContact O-N 3.47Å |
| 52 | Q | 91.9 | Very high | 91.9 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 176.9 | -70.8 | -176.6 | -33.3 | 0 | 0 | 111.7 | H48 Q49 M50 H55 F56 | H48-Q52 PolarHBondContact NE2-NE2 3.04Å; H48-Q52 PolarHBondContact O-N 3.3Å; H48-Q52 VanDerWaalsContact O-N 3.13Å; Q49-Q52 PolarHBondContact O-N 3.09Å; M50-Q52 PolarHBondContact O-N 3.04Å; Q52-H55 PolarHBondContact O-N 3.14Å; Q52-F56 PolarHBondContact O-N 2.74Å |
| 53 | T | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -49.2 | 178.6 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | Q49 M50 H55 F56 L57 L679 G680 W681 | Q49-T53 WeakPolarHBondContact O-CB 3.31Å; Q49-T53 PolarHBondContact O-N 3.22Å; Q49-T53 PolarHBondContact O-OG1 3.38Å; M50-T53 PolarHBondContact O-N 3.09Å; T53-H55 VanDerWaalsContact C-N 3.31Å; T53-H55 PolarHBondContact O-N 2.84Å; T53-F56 PolarHBondContact O-N 3.23Å; T53-L57 HydrophobicContact CG2-CD1 3.82Å; T53-L57 HydrophobicContact CG2-CG 4.28Å; T53-L57 WeakPolarHBondContact O-CB 3.25Å; T53-L57 VanDerWaalsContact O-CG 3.27Å; T53-L57 WeakPolarHBondContact O-CG 2.9Å; T53-L57 PolarHBondContact O-N 3.25Å; T53-L679 HydrophobicContact CG2-CB 4.29Å; T53-L679 HydrophobicContact CG2-CD1 4.39Å; T53-G680 WeakPolarHBondContact CB-O 3.29Å; T53-G680 PolarHBondContact OG1-N 3.23Å; T53-G680 PolarHBondContact OG1-O 2.76Å; T53-W681 HydrophobicContact CG2-CB 4.13Å |
| 54 | Q | 92.8 | Very high | 92.3 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 177.7 | -70.4 | -62.8 | -17.6 | 0 | 0 | 111.7 | M50 L57 S58 | M50-Q54 HydrophobicContact CE-CG 4.39Å; M50-Q54 VanDerWaalsContact O-CB 3.3Å; M50-Q54 WeakPolarHBondContact O-CB 3.28Å; M50-Q54 VanDerWaalsContact O-CG 3.23Å; M50-Q54 WeakPolarHBondContact O-CG 3.33Å; M50-Q54 PolarHBondContact O-N 3.31Å; Q54-L57 PolarHBondContact O-N 3.24Å; Q54-S58 VanDerWaalsContact O-CB 3.27Å; Q54-S58 WeakPolarHBondContact O-CB 3.44Å; Q54-S58 PolarHBondContact O-N 3.44Å |
| 55 | H | 93 | Very high | 92.5 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.6 | -48.1 | 174.1 | -176.3 | 58.6 | 0 | 0 | 0 | 111.6 | K51 Q52 T53 S58 Y59 | K51-H55 VanDerWaalsContact O-CB 3.24Å; K51-H55 WeakPolarHBondContact O-CB 3.26Å; K51-H55 PolarHBondContact O-N 3.47Å; Q52-H55 PolarHBondContact O-N 3.14Å; T53-H55 VanDerWaalsContact C-N 3.31Å; T53-H55 PolarHBondContact O-N 2.84Å; H55-S58 PolarHBondContact O-N 3.36Å; H55-S58 PolarHBondContact O-OG 3.03Å; H55-Y59 AromaticContact CE1-CE2 3.67Å; H55-Y59 AromaticContact CE1-CZ 3.66Å; H55-Y59 PolarHBondContact CE1-OH 3.34Å; H55-Y59 AromaticContact NE2-CE2 3.67Å; H55-Y59 AromaticContact NE2-CZ 3.93Å; H55-Y59 PolarHBondContact NE2-OH 3.39Å; H55-Y59 WeakPolarHBondContact O-CD2 3.46Å; H55-Y59 VanDerWaalsContact O-CE2 3.3Å; H55-Y59 WeakPolarHBondContact O-CE2 3.14Å |
| 56 | F | 92.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.9 | -47.7 | 176.2 | 179.7 | -95 | 0 | 0 | 0 | 112.6 | Q52 T53 S58 Y59 I677 L679 F699 M702 I703 R720 V723 | Q52-F56 PolarHBondContact O-N 2.74Å; T53-F56 PolarHBondContact O-N 3.23Å; F56-S58 VanDerWaalsContact C-N 3.32Å; F56-S58 PolarHBondContact O-N 2.66Å; F56-Y59 PolarHBondContact O-N 3.26Å; F56-I677 HydrophobicContact CD1-CD1 3.84Å; F56-I677 HydrophobicContact CD2-CD1 3.94Å; F56-I677 HydrophobicContact CE1-CD1 3.38Å; F56-I677 HydrophobicContact CE2-CD1 3.51Å; F56-I677 HydrophobicContact CE2-CG1 4.41Å; F56-I677 HydrophobicContact CE2-CG2 4.34Å; F56-I677 HydrophobicContact CG-CD1 4.09Å; F56-I677 HydrophobicContact CZ-CD1 3.2Å; F56-I677 HydrophobicContact CZ-CG1 4.31Å; F56-L679 HydrophobicContact CB-CD1 3.93Å; F56-L679 HydrophobicContact CD1-CD1 3.46Å; F56-L679 VanDerWaalsContact CD1-CD1 3.46Å; F56-L679 HydrophobicContact CE1-CD1 4.15Å; F56-L679 HydrophobicContact CG-CD1 3.77Å; F56-F699 HydrophobicContact CE1-CD2 4.14Å; F56-M702 HydrophobicContact CE1-CB 3.6Å; F56-M702 HydrophobicContact CE1-CG 4.11Å; F56-M702 HydrophobicContact CE2-CE 4.36Å; F56-M702 HydrophobicContact CZ-CB 3.48Å; F56-M702 VanDerWaalsContact CZ-CB 3.48Å; F56-M702 HydrophobicContact CZ-CE 4.29Å; F56-M702 HydrophobicContact CZ-CG 4.24Å; F56-I703 HydrophobicContact CZ-CD1 4.43Å; F56-R720 HydrophobicContact CE2-CG 4.17Å; F56-V723 HydrophobicContact CB-CG1 4.42Å; F56-V723 HydrophobicContact CB-CG2 4.41Å; F56-V723 HydrophobicContact CD2-CB 4.33Å; F56-V723 HydrophobicContact CD2-CG1 4.35Å; F56-V723 HydrophobicContact CD2-CG2 4.07Å |
| 57 | L | 92.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.3 | -33 | -177.6 | -65.7 | 177 | 0 | 0 | 0 | 112.1 | T53 Q54 Y59 C60 Q63 F699 | T53-L57 HydrophobicContact CG2-CD1 3.82Å; T53-L57 HydrophobicContact CG2-CG 4.28Å; T53-L57 WeakPolarHBondContact O-CB 3.25Å; T53-L57 VanDerWaalsContact O-CG 3.27Å; T53-L57 WeakPolarHBondContact O-CG 2.9Å; T53-L57 PolarHBondContact O-N 3.25Å; Q54-L57 PolarHBondContact O-N 3.24Å; L57-Y59 PolarHBondContact O-N 3.43Å; L57-C60 WeakPolarHBondContact O-CB 3.47Å; L57-C60 PolarHBondContact O-N 3.1Å; L57-Q63 PolarHBondContact O-NE2 2.96Å; L57-F699 HydrophobicContact CD2-CB 4.09Å |
| 58 | S | 91.5 | Very high | 92.9 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.7 | -22.6 | 178.6 | 75.4 | 0 | 0 | 0 | 0 | 113.9 | Q54 H55 F56 C60 | Q54-S58 VanDerWaalsContact O-CB 3.27Å; Q54-S58 WeakPolarHBondContact O-CB 3.44Å; Q54-S58 PolarHBondContact O-N 3.44Å; H55-S58 PolarHBondContact O-N 3.36Å; H55-S58 PolarHBondContact O-OG 3.03Å; F56-S58 VanDerWaalsContact C-N 3.32Å; F56-S58 PolarHBondContact O-N 2.66Å; S58-C60 VanDerWaalsContact C-N 3.31Å; S58-C60 PolarHBondContact O-N 2.71Å |
| 59 | Y | 88.8 | Confident | 93 | Very high | 81 Ų | 81 | 46.5 Ų | 46.5 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.4 | 174.9 | -67 | -67.1 | 0 | 0 | 0 | 114.6 | H55 F56 L57 P61 L719 | H55-Y59 AromaticContact CE1-CE2 3.67Å; H55-Y59 AromaticContact CE1-CZ 3.66Å; H55-Y59 PolarHBondContact CE1-OH 3.34Å; H55-Y59 AromaticContact NE2-CE2 3.67Å; H55-Y59 AromaticContact NE2-CZ 3.93Å; H55-Y59 PolarHBondContact NE2-OH 3.39Å; H55-Y59 WeakPolarHBondContact O-CD2 3.46Å; H55-Y59 VanDerWaalsContact O-CE2 3.3Å; H55-Y59 WeakPolarHBondContact O-CE2 3.14Å; F56-Y59 PolarHBondContact O-N 3.26Å; L57-Y59 PolarHBondContact O-N 3.43Å; Y59-P61 WeakPolarHBondContact O-CD 3.41Å; Y59-L719 HydrophobicContact CD1-CD1 3.86Å; Y59-L719 HydrophobicContact CD1-CD2 3.95Å; Y59-L719 HydrophobicContact CD1-CG 4.49Å; Y59-L719 HydrophobicContact CE1-CD1 4.43Å; Y59-L719 HydrophobicContact CE1-CD2 3.67Å; Y59-L719 HydrophobicContact CG-CD1 4.14Å; Y59-L719 HydrophobicContact CG-CD2 4.48Å |
| 60 | C | 91.2 | Very high | 93 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | trans | -79.3 | 115.5 | 173.6 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | L57 S58 Y62 Q63 M702 | L57-C60 WeakPolarHBondContact O-CB 3.47Å; L57-C60 PolarHBondContact O-N 3.1Å; S58-C60 VanDerWaalsContact C-N 3.31Å; S58-C60 PolarHBondContact O-N 2.71Å; C60-Y62 PolarHBondContact O-N 2.98Å; C60-Q63 HydrophobicContact CB-CG 4.26Å; C60-Q63 PolarHBondContact O-NE2 3.41Å; C60-M702 HydrophobicContact CB-CG 3.94Å; C60-M702 HydrophobicContact CB-SD 4.19Å | ||
| 61 | P | 90.5 | Very high | 92.9 | Very high | 91 Ų | 91 | 50.7 Ų | 50.7 | 59% | 0.591 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.2 | -175.6 | 31.9 | -35.9 | 0 | 0 | 0 | 113.7 | Y59 | Y59-P61 WeakPolarHBondContact O-CD 3.41Š|
| 62 | Y | 92.6 | Very high | 92.8 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 8.8 | -172.1 | -54.4 | -69.4 | 0 | 0 | 0 | 113.7 | C60 E64 E65 Y66 Q701 | C60-Y62 PolarHBondContact O-N 2.98Å; Y62-E64 PolarHBondContact O-N 3.24Å; Y62-E65 VanDerWaalsContact CD1-OE2 3.29Å; Y62-E65 WeakPolarHBondContact CD1-OE2 2.99Å; Y62-E65 WeakPolarHBondContact O-CB 3.46Å; Y62-E65 PolarHBondContact O-N 3.39Å; Y62-E65 VanDerWaalsContact O-N 3.15Å; Y62-Y66 VanDerWaalsContact CB-CZ 3.45Å; Y62-Y66 WeakPolarHBondContact O-CD2 3.42Å; Y62-Y66 VanDerWaalsContact O-CG 3.26Å; Y62-Y66 PolarHBondContact O-N 2.88Å; Y62-Q701 HydrophobicContact CD2-CG 4.02Å; Y62-Q701 HydrophobicContact CE2-CG 4.38Å |
| 63 | Q | 92 | Very high | 92.8 | Very high | 28 Ų | 28 | 46 Ų | 46 | 13% | 0.131 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.1 | -50.6 | -176.7 | -82.2 | 179 | 86.1 | 0 | 0 | 113 | L57 C60 E65 Y66 R67 S698 | L57-Q63 PolarHBondContact O-NE2 2.96Å; C60-Q63 HydrophobicContact CB-CG 4.26Å; C60-Q63 PolarHBondContact O-NE2 3.41Å; Q63-E65 VanDerWaalsContact C-N 3.34Å; Q63-Y66 WeakPolarHBondContact O-CB 3.49Å; Q63-Y66 PolarHBondContact O-N 2.65Å; Q63-R67 PolarHBondContact O-N 3.32Å; Q63-S698 WeakPolarHBondContact CG-OG 3.28Å |
| 64 | E | 94.6 | Very high | 92.6 | Very high | 112 Ų | 112 | 49.2 Ų | 49.2 | 52% | 0.523 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.2 | -34.2 | 179.4 | -66.1 | -52.8 | 120.9 | 0 | 0 | 112.1 | Y62 Y66 R67 N68 | Y62-E64 PolarHBondContact O-N 3.24Å; E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 2.95Å; E64-R67 PolarHBondContact O-N 3.25Å; E64-R67 IonicContact OE1-NE 3.43Å; E64-R67 PolarHBondContact OE1-NE 3.22Å; E64-N68 WeakPolarHBondContact O-CB 3.26Å; E64-N68 PolarHBondContact O-N 3.35Å; E64-N68 PolarHBondContact O-ND2 3.25Å |
| 65 | E | 94.8 | Very high | 92.4 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 33% | 0.332 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 171.8 | -170.2 | -160.5 | 141.1 | 0 | 0 | 110.8 | Y62 Q63 Y69 K499 R708 | Y62-E65 VanDerWaalsContact CD1-OE2 3.29Å; Y62-E65 WeakPolarHBondContact CD1-OE2 2.99Å; Y62-E65 WeakPolarHBondContact O-CB 3.46Å; Y62-E65 PolarHBondContact O-N 3.39Å; Y62-E65 VanDerWaalsContact O-N 3.15Å; Q63-E65 VanDerWaalsContact C-N 3.34Å; E65-Y69 VanDerWaalsContact O-CB 3.26Å; E65-Y69 WeakPolarHBondContact O-CB 3.16Å; E65-Y69 PolarHBondContact O-N 2.91Å; E65-K499 WeakPolarHBondContact OE1-CE 3.44Å; E65-K499 IonicContact OE1-NZ 3.61Å; E65-K499 PolarHBondContact OE1-NZ 3.31Å; E65-R708 IonicContact OE1-NH1 3.86Å |
| 66 | Y | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 177.7 | -57.7 | -31 | 0 | 0 | 0 | 112 | Y62 Q63 E64 Y69 L70 L495 C697 Q701 R708 | Y62-Y66 VanDerWaalsContact CB-CZ 3.45Å; Y62-Y66 WeakPolarHBondContact O-CD2 3.42Å; Y62-Y66 VanDerWaalsContact O-CG 3.26Å; Y62-Y66 PolarHBondContact O-N 2.88Å; Q63-Y66 WeakPolarHBondContact O-CB 3.49Å; Q63-Y66 PolarHBondContact O-N 2.65Å; E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 2.95Å; Y66-Y69 PolarHBondContact O-N 2.96Å; Y66-L70 WeakPolarHBondContact O-CB 3.49Å; Y66-L70 WeakPolarHBondContact O-CD1 3.47Å; Y66-L70 VanDerWaalsContact O-CG 3.23Å; Y66-L70 WeakPolarHBondContact O-CG 3.19Å; Y66-L70 PolarHBondContact O-N 3.5Å; Y66-L495 HydrophobicContact CD1-CD1 4.34Å; Y66-L495 HydrophobicContact CD1-CD2 4.25Å; Y66-L495 HydrophobicContact CG-CD1 4.49Å; Y66-C697 HydrophobicContact CD2-CB 3.66Å; Y66-C697 HydrophobicContact CE2-CB 3.84Å; Y66-C697 HydrophobicContact CG-CB 4.04Å; Y66-Q701 WeakPolarHBondContact OH-CG 3.4Å; Y66-Q701 PolarHBondContact OH-OE1 3.14Å; Y66-R708 PolarHBondContact OH-NH2 3.22Å |
| 67 | R | 95.3 | Very high | 92.2 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 176.7 | -67.7 | -173.2 | -152.4 | -68 | -6.6 | 111.2 | Q63 E64 Y69 L70 Q71 I690 D691 A694 | Q63-R67 PolarHBondContact O-N 3.32Å; E64-R67 PolarHBondContact O-N 3.25Å; E64-R67 IonicContact OE1-NE 3.43Å; E64-R67 PolarHBondContact OE1-NE 3.22Å; R67-Y69 VanDerWaalsContact C-N 3.34Å; R67-Y69 PolarHBondContact O-N 3.01Å; R67-L70 PolarHBondContact O-N 3.27Å; R67-Q71 WeakPolarHBondContact O-CG 3.4Å; R67-Q71 PolarHBondContact O-N 3.45Å; R67-I690 HydrophobicContact CB-CG2 4.13Å; R67-I690 HydrophobicContact CG-CG2 4.22Å; R67-D691 IonicContact CZ-OD1 2.66Å; R67-D691 IonicContact NE-OD1 3.27Å; R67-D691 IonicContact NH1-OD1 2.68Å; R67-D691 PolarHBondContact NH1-OD1 3.21Å; R67-A694 HydrophobicContact CG-CB 3.74Å |
| 68 | N | 94.8 | Very high | 92.2 | Very high | 84 Ų | 84 | 53.3 Ų | 53.3 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | -179.4 | -68.1 | -17.4 | 0 | 0 | 0 | 111.4 | E64 Q71 L72 | E64-N68 WeakPolarHBondContact O-CB 3.26Å; E64-N68 PolarHBondContact O-N 3.35Å; E64-N68 PolarHBondContact O-ND2 3.25Å; N68-Q71 WeakPolarHBondContact O-CB 3.21Å; N68-Q71 PolarHBondContact O-N 2.87Å; N68-L72 WeakPolarHBondContact O-CG 3.49Å; N68-L72 PolarHBondContact O-N 3.09Å; N68-L72 VanDerWaalsContact O-N 3.12Å |
| 69 | Y | 93.9 | Very high | 92.3 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 178.1 | -163.9 | -106.7 | 0 | 0 | 0 | 112.3 | E65 Y66 R67 L72 L73 M433 L495 E498 K499 | E65-Y69 VanDerWaalsContact O-CB 3.26Å; E65-Y69 WeakPolarHBondContact O-CB 3.16Å; E65-Y69 PolarHBondContact O-N 2.91Å; Y66-Y69 PolarHBondContact O-N 2.96Å; R67-Y69 VanDerWaalsContact C-N 3.34Å; R67-Y69 PolarHBondContact O-N 3.01Å; Y69-L72 PolarHBondContact O-N 3.26Å; Y69-L73 HydrophobicContact CD1-CD1 3.77Å; Y69-L73 HydrophobicContact CD1-CG 4.19Å; Y69-L73 HydrophobicContact CE1-CD1 3.6Å; Y69-L73 HydrophobicContact CE1-CD2 4.35Å; Y69-L73 HydrophobicContact CE1-CG 4.03Å; Y69-L73 WeakPolarHBondContact O-CG 3.47Å; Y69-L73 PolarHBondContact O-N 2.84Å; Y69-M433 HydrophobicContact CE2-CE 3.52Å; Y69-M433 HydrophobicContact CE2-SD 4.1Å; Y69-M433 WeakPolarHBondContact OH-CE 3.45Å; Y69-L495 HydrophobicContact CD1-CB 4.2Å; Y69-L495 HydrophobicContact CD1-CD1 4.13Å; Y69-L495 HydrophobicContact CD1-CG 4.03Å; Y69-L495 HydrophobicContact CE1-CB 4.5Å; Y69-E498 HydrophobicContact CE1-CB 4.02Å; Y69-E498 HydrophobicContact CE1-CG 4.22Å; Y69-E498 VanDerWaalsContact OH-CG 3.29Å; Y69-E498 WeakPolarHBondContact OH-CG 3.34Å; Y69-E498 PolarHBondContact OH-OE2 3.15Å; Y69-K499 HydrophobicContact CD1-CG 4.47Å |
| 70 | L | 93.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -38.2 | 174.4 | -74.3 | 163.5 | 0 | 0 | 0 | 112.5 | Y66 R67 L72 L73 C74 A491 L495 I690 V693 A694 | Y66-L70 WeakPolarHBondContact O-CB 3.49Å; Y66-L70 WeakPolarHBondContact O-CD1 3.47Å; Y66-L70 VanDerWaalsContact O-CG 3.23Å; Y66-L70 WeakPolarHBondContact O-CG 3.19Å; Y66-L70 PolarHBondContact O-N 3.5Å; R67-L70 PolarHBondContact O-N 3.27Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L73 PolarHBondContact O-N 3.1Å; L70-C74 WeakPolarHBondContact O-CB 2.86Å; L70-C74 PolarHBondContact O-N 2.89Å; L70-C74 PolarHBondContact O-SG 3.47Å; L70-A491 HydrophobicContact CD2-CB 4.28Å; L70-L495 HydrophobicContact CD1-CD1 4Å; L70-L495 HydrophobicContact CD2-CB 4.19Å; L70-L495 HydrophobicContact CD2-CD1 3.76Å; L70-L495 HydrophobicContact CG-CD1 3.47Å; L70-L495 VanDerWaalsContact CG-CD1 3.47Å; L70-I690 HydrophobicContact CB-CG1 4.3Å; L70-I690 HydrophobicContact CB-CG2 3.99Å; L70-I690 HydrophobicContact CD1-CG2 4.08Å; L70-V693 HydrophobicContact CD1-CB 3.7Å; L70-V693 HydrophobicContact CD1-CG1 3.61Å; L70-V693 HydrophobicContact CD2-CB 4.41Å; L70-V693 HydrophobicContact CD2-CG1 3.76Å; L70-V693 HydrophobicContact CG-CG1 4.32Å; L70-A694 HydrophobicContact CD1-CB 4.48Å |
| 71 | Q | 92.3 | Very high | 92.7 | Very high | 104 Ų | 104 | 50.8 Ų | 50.8 | 49% | 0.486 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 174.4 | -75.5 | 172 | -12.3 | 0 | 0 | 110.3 | R67 N68 L73 C74 N75 I690 | R67-Q71 WeakPolarHBondContact O-CG 3.4Å; R67-Q71 PolarHBondContact O-N 3.45Å; N68-Q71 WeakPolarHBondContact O-CB 3.21Å; N68-Q71 PolarHBondContact O-N 2.87Å; Q71-L73 PolarHBondContact O-N 3.41Å; Q71-C74 PolarHBondContact O-N 3.26Å; Q71-N75 WeakPolarHBondContact O-CB 3.27Å; Q71-N75 PolarHBondContact O-N 2.99Å; Q71-I690 HydrophobicContact CG-CD1 3.71Å |
| 72 | L | 92 | Very high | 92.8 | Very high | 82 Ų | 82 | 46.5 Ų | 46.5 | 43% | 0.429 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 174.8 | -64.7 | 170.7 | 0 | 0 | 0 | 111.8 | N68 Y69 L70 C74 N75 P432 M433 | N68-L72 WeakPolarHBondContact O-CG 3.49Å; N68-L72 PolarHBondContact O-N 3.09Å; N68-L72 VanDerWaalsContact O-N 3.12Å; Y69-L72 PolarHBondContact O-N 3.26Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L72-C74 VanDerWaalsContact C-N 3.29Å; L72-C74 PolarHBondContact O-N 2.92Å; L72-N75 PolarHBondContact O-N 2.8Å; L72-P432 CarbonylContact O-C 3.55Å; L72-P432 WeakPolarHBondContact O-CB 3.08Å; L72-M433 HydrophobicContact CB-SD 4.28Å; L72-M433 HydrophobicContact CD1-SD 4.09Å |
| 73 | L | 91.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.5 | -24.2 | 177.7 | -69.1 | 180 | 0 | 0 | 0 | 114.3 | Y69 L70 Q71 F76 P432 M433 L435 Y489 A491 L494 L495 | Y69-L73 HydrophobicContact CD1-CD1 3.77Å; Y69-L73 HydrophobicContact CD1-CG 4.19Å; Y69-L73 HydrophobicContact CE1-CD1 3.6Å; Y69-L73 HydrophobicContact CE1-CD2 4.35Å; Y69-L73 HydrophobicContact CE1-CG 4.03Å; Y69-L73 WeakPolarHBondContact O-CG 3.47Å; Y69-L73 PolarHBondContact O-N 2.84Å; L70-L73 PolarHBondContact O-N 3.1Å; Q71-L73 PolarHBondContact O-N 3.41Å; L73-F76 WeakPolarHBondContact O-CD1 3.42Å; L73-F76 WeakPolarHBondContact O-CE1 3.31Å; L73-P432 VanDerWaalsContact O-CB 3.26Å; L73-P432 WeakPolarHBondContact O-CB 3.49Å; L73-P432 WeakPolarHBondContact O-CG 3.14Å; L73-M433 HydrophobicContact CD2-CE 4.45Å; L73-L435 HydrophobicContact CD2-CD1 3.84Å; L73-Y489 PolarHBondContact O-OH 3.28Å; L73-A491 HydrophobicContact CB-CB 3.69Å; L73-A491 HydrophobicContact CD1-CB 4.22Å; L73-A491 WeakPolarHBondContact CD1-O 3.47Å; L73-L494 HydrophobicContact CD1-CB 3.98Å; L73-L494 HydrophobicContact CD2-CD1 4.27Å; L73-L495 HydrophobicContact CD1-CB 4.19Å |
| 74 | C | 90.2 | Very high | 92.7 | Very high | 67 Ų | 67 | 47.7 Ų | 47.7 | 45% | 0.453 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -93.3 | -13.9 | 178 | -70.2 | 0 | 0 | 0 | 0 | 112.9 | L70 Q71 L72 F76 | L70-C74 WeakPolarHBondContact O-CB 2.86Å; L70-C74 PolarHBondContact O-N 2.89Å; L70-C74 PolarHBondContact O-SG 3.47Å; Q71-C74 PolarHBondContact O-N 3.26Å; L72-C74 VanDerWaalsContact C-N 3.29Å; L72-C74 PolarHBondContact O-N 2.92Å; C74-F76 PolarHBondContact O-N 3.03Å |
| 75 | N | 89.5 | Confident | 92.5 | Very high | 70 Ų | 70 | 44.4 Ų | 44.4 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | trans | -91.8 | 83.5 | -175 | -172.5 | 49.3 | 0 | 0 | 0 | 110.8 | Q71 L72 S96 P432 | Q71-N75 WeakPolarHBondContact O-CB 3.27Å; Q71-N75 PolarHBondContact O-N 2.99Å; L72-N75 PolarHBondContact O-N 2.8Å; N75-S96 WeakPolarHBondContact OD1-CB 3.07Å; N75-S96 PolarHBondContact OD1-OG 3.02Å; N75-P432 WeakPolarHBondContact O-CA 3.28Å | ||
| 76 | F | 89.6 | Confident | 92.2 | Very high | 24 Ų | 24 | 43 Ų | 43 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | trans | -140.7 | 150.2 | 174.6 | 50.4 | -85.8 | 0 | 0 | 0 | 111.7 | L73 C74 Q78 S96 P409 P432 Y489 | L73-F76 WeakPolarHBondContact O-CD1 3.42Å; L73-F76 WeakPolarHBondContact O-CE1 3.31Å; C74-F76 PolarHBondContact O-N 3.03Å; F76-Q78 HydrophobicContact CD2-CG 4Å; F76-Q78 HydrophobicContact CE2-CG 3.9Å; F76-S96 VanDerWaalsContact C-CB 3.5Å; F76-P409 HydrophobicContact CD1-CG 4.37Å; F76-P409 HydrophobicContact CD2-CB 3.94Å; F76-P409 HydrophobicContact CD2-CG 3.93Å; F76-P409 HydrophobicContact CE1-CB 4.01Å; F76-P409 HydrophobicContact CE1-CG 4.32Å; F76-P409 HydrophobicContact CE2-CB 3.37Å; F76-P409 HydrophobicContact CE2-CG 3.89Å; F76-P409 HydrophobicContact CG-CB 4.47Å; F76-P409 HydrophobicContact CG-CG 4.16Å; F76-P409 HydrophobicContact CZ-CB 3.4Å; F76-P409 HydrophobicContact CZ-CG 4.08Å; F76-P432 HydrophobicContact CB-CB 4.18Å; F76-P432 HydrophobicContact CB-CG 4.27Å; F76-P432 HydrophobicContact CD1-CB 3.77Å; F76-P432 HydrophobicContact CD1-CG 3.6Å; F76-P432 HydrophobicContact CE1-CG 4.27Å; F76-P432 HydrophobicContact CG-CB 4.41Å; F76-P432 HydrophobicContact CG-CG 4.19Å; F76-Y489 HydrophobicContact CE1-CD1 4.41Å; F76-Y489 AromaticContact CE1-CE1 3.65Å; F76-Y489 HydrophobicContact CE1-CE1 3.65Å; F76-Y489 HydrophobicContact CZ-CD1 4.23Å; F76-Y489 AromaticContact CZ-CE1 3.94Å; F76-Y489 HydrophobicContact CZ-CE1 3.94Å | ||
| 77 | D | 91.4 | Very high | 91.8 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | trans | -62.2 | 139.8 | 169.1 | -81.9 | 2.9 | 0 | 0 | 0 | 111.6 | Y79 F93 K94 S95 S96 S430 | D77-Y79 HydrophobicContact CB-CE2 3.91Å; D77-Y79 WeakPolarHBondContact CB-OH 3.27Å; D77-Y79 PolarHBondContact OD2-OH 2.85Å; D77-F93 HydrophobicContact CB-CE2 3.69Å; D77-F93 HydrophobicContact CB-CZ 4.4Å; D77-F93 VanDerWaalsContact CG-CE2 3.48Å; D77-F93 WeakPolarHBondContact OD2-CE2 3.24Å; D77-F93 WeakPolarHBondContact OD2-CZ 3.31Å; D77-K94 WeakPolarHBondContact CA-O 3.49Å; D77-S95 VanDerWaalsContact OD1-CA 3.28Å; D77-S95 WeakPolarHBondContact OD1-CA 3.11Å; D77-S95 PolarHBondContact OD1-OG 3.05Å; D77-S96 PolarHBondContact OD1-N 3Å; D77-S430 WeakPolarHBondContact O-CB 3.3Å; D77-S430 PolarHBondContact O-OG 2.96Å | ||
| 78 | Q | 92.2 | Very high | 91.6 | Very high | 94 Ų | 94 | 49.3 Ų | 49.3 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139.7 | -179.4 | -59.2 | 177.4 | -0.5 | 0 | 0 | 111.1 | F76 F93 K94 | F76-Q78 HydrophobicContact CD2-CG 4Å; F76-Q78 HydrophobicContact CE2-CG 3.9Å; Q78-F93 WeakPolarHBondContact O-CA 3.29Å; Q78-K94 HydrophobicContact CB-CB 4.29Å; Q78-K94 PolarHBondContact N-O 2.88Å; Q78-K94 PolarHBondContact O-N 2.66Å |
| 79 | Y | 92.7 | Very high | 91.6 | Very high | 37 Ų | 37 | 45.8 Ų | 45.8 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146.3 | -177.3 | -51.3 | -83 | 0 | 0 | 0 | 111.2 | D77 Y91 F93 Q402 R428 | D77-Y79 HydrophobicContact CB-CE2 3.91Å; D77-Y79 WeakPolarHBondContact CB-OH 3.27Å; D77-Y79 PolarHBondContact OD2-OH 2.85Å; Y79-Y91 HydrophobicContact CD1-CD2 4.02Å; Y79-Y91 AromaticContact CD1-CE2 3.9Å; Y79-Y91 HydrophobicContact CD1-CE2 3.9Å; Y79-Y91 HydrophobicContact CE1-CE2 4.34Å; Y79-F93 HydrophobicContact CD1-CB 4.47Å; Y79-F93 AromaticContact CD1-CD2 3.64Å; Y79-F93 HydrophobicContact CD1-CD2 3.64Å; Y79-F93 HydrophobicContact CD1-CE2 4.35Å; Y79-F93 HydrophobicContact CD1-CG 4.43Å; Y79-F93 AromaticContact CE1-CD2 3.22Å; Y79-F93 HydrophobicContact CE1-CD2 3.22Å; Y79-F93 AromaticContact CE1-CE2 3.54Å; Y79-F93 HydrophobicContact CE1-CE2 3.54Å; Y79-F93 HydrophobicContact CE1-CG 4.15Å; Y79-F93 AromaticContact CZ-CD2 3.94Å; Y79-F93 AromaticContact CZ-CE2 3.81Å; Y79-Q402 PolarHBondContact O-NE2 3.29Å; Y79-R428 HydrophobicContact CD2-CB 4.32Å |
| 80 | T | 94.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 44.7 Ų | 44.7 | 36% | 0.356 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -89.2 | 164.2 | 163 | 53.9 | 0 | 0 | 0 | 0 | 110.7 | C92 | T80-C92 HydrophobicContact CG2-CB 3.88Å; T80-C92 PolarHBondContact N-O 3.49Å; T80-C92 VanDerWaalsContact N-O 3.09Å; T80-C92 PolarHBondContact OG1-N 2.89Å; T80-C92 PolarHBondContact OG1-O 3.38Å |
| 81 | C | 94 | Very high | 91.7 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.054 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 145.4 | 169.1 | -80 | 0 | 0 | 0 | 0 | 111.2 | S389 I391 F400 Q402 | C81-S389 PolarHBondContact SG-OG 3.03Å; C81-I391 HydrophobicContact CB-CB 4.02Å; C81-I391 HydrophobicContact CB-CG1 3.51Å; C81-F400 HydrophobicContact CB-CB 4.05Å; C81-Q402 PolarHBondContact SG-N 2.89Å |
| 82 | S | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 129.2 | 179.1 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | F90 F427 | S82-F90 CarbonylContact C-O 3.59Å; S82-F90 VanDerWaalsContact CA-O 3.31Å; S82-F90 WeakPolarHBondContact CA-O 3.39Å; S82-F427 WeakPolarHBondContact OG-CE1 3.14Å |
| 83 | L | 92.7 | Very high | 91.8 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 126.9 | 165.2 | -57 | 176 | 0 | 0 | 0 | 108.4 | Y89 F90 F133 L135 I391 | L83-Y89 CarbonylContact O-C 3.52Å; L83-Y89 WeakPolarHBondContact O-CA 3.49Å; L83-F90 HydrophobicContact CB-CB 4.4Å; L83-F90 PolarHBondContact N-O 3.37Å; L83-F90 PolarHBondContact O-N 3.19Å; L83-F133 HydrophobicContact CD1-CE2 4.43Å; L83-L135 HydrophobicContact CD1-CD1 4.36Å; L83-I391 HydrophobicContact CD2-CG2 4.07Å |
| 84 | V | 91.3 | Very high | 91.8 | Very high | 27 Ų | 27 | 41.9 Ų | 41.9 | 16% | 0.164 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.1 | 173.5 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | Y89 F400 | V84-Y89 HydrophobicContact CG2-CD1 3.96Å; V84-Y89 HydrophobicContact CG2-CE1 3.94Å; V84-F400 HydrophobicContact CG2-CE2 3.72Å; V84-F400 HydrophobicContact CG2-CZ 4.5Å |
| 85 | R | 90 | Very high | 91.8 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 16% | 0.158 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 123.2 | 177.4 | -65.9 | -69.9 | -174.5 | -90.6 | 9.1 | 109.1 | N87 N88 F90 L135 S136 D137 | R85-N87 PolarHBondContact O-N 3.42Å; R85-N88 PolarHBondContact N-O 3.44Å; R85-N88 PolarHBondContact O-N 3.03Å; R85-F90 HydrophobicContact CB-CD2 3.92Å; R85-F90 HydrophobicContact CB-CE2 3.71Å; R85-F90 HydrophobicContact CG-CD2 4.31Å; R85-L135 HydrophobicContact CG-CB 4.05Å; R85-L135 HydrophobicContact CG-CD1 4.5Å; R85-L135 PolarHBondContact NE-O 3.02Å; R85-S136 WeakPolarHBondContact CD-O 3.38Å; R85-D137 IonicContact CZ-OD1 2.65Å; R85-D137 IonicContact NE-OD1 2.72Å |
| 86 | G | 88 | Confident | 91.5 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 42% | 0.423 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | -123.1 | -166 | 0 | 0 | 0 | 0 | 0 | 111.6 | D137 | G86-D137 PolarHBondContact N-O 2.95Š|
| 87 | N | 87.4 | Confident | 91.2 | Very high | 135 Ų | 135 | 43.4 Ų | 43.4 | 72% | 0.722 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 15.1 | 178.4 | -67.5 | -20.9 | 0 | 0 | 0 | 113.6 | R85 N108 | R85-N87 PolarHBondContact O-N 3.42Å; N87-N108 VanDerWaalsContact O-CB 3.26Å; N87-N108 WeakPolarHBondContact O-CB 3.31Å; N87-N108 PolarHBondContact O-N 3.33Å |
| 88 | N | 91.4 | Very high | 90.4 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 149.2 | -172.2 | -62.9 | -22.2 | 0 | 0 | 0 | 111.5 | R85 F90 I106 Q107 | R85-N88 PolarHBondContact N-O 3.44Å; R85-N88 PolarHBondContact O-N 3.03Å; N88-F90 HydrophobicContact CB-CD2 4.22Å; N88-F90 HydrophobicContact CB-CE2 3.49Å; N88-F90 VanDerWaalsContact CB-CE2 3.49Å; N88-F90 HydrophobicContact CB-CZ 3.85Å; N88-I106 CarbonylContact C-O 3.54Å; N88-I106 WeakPolarHBondContact CA-O 3.24Å; N88-Q107 WeakPolarHBondContact OD1-CA 3.37Å; N88-Q107 WeakPolarHBondContact OD1-CG 3.18Å |
| 89 | Y | 93.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 131.2 | 168.3 | -57.4 | -65.5 | 0 | 0 | 0 | 109.3 | L83 V84 S105 I106 N108 Q398 F400 F427 | L83-Y89 CarbonylContact O-C 3.52Å; L83-Y89 WeakPolarHBondContact O-CA 3.49Å; V84-Y89 HydrophobicContact CG2-CD1 3.96Å; V84-Y89 HydrophobicContact CG2-CE1 3.94Å; Y89-S105 CarbonylContact O-C 3.58Å; Y89-S105 WeakPolarHBondContact O-CA 3.14Å; Y89-I106 HydrophobicContact CD2-CB 4.41Å; Y89-I106 HydrophobicContact CD2-CG2 4.29Å; Y89-I106 PolarHBondContact N-O 2.85Å; Y89-I106 PolarHBondContact O-N 3.2Å; Y89-N108 HydrophobicContact CE2-CB 3.96Å; Y89-N108 VanDerWaalsContact CE2-OD1 3.23Å; Y89-N108 WeakPolarHBondContact CE2-OD1 3.42Å; Y89-N108 VanDerWaalsContact CZ-OD1 3.31Å; Y89-N108 VanDerWaalsContact OH-CG 3.3Å; Y89-N108 PolarHBondContact OH-OD1 2.85Å; Y89-Q398 VanDerWaalsContact CE1-OE1 3.3Å; Y89-Q398 PolarHBondContact OH-NE2 3.39Å; Y89-Q398 PolarHBondContact OH-OE1 2.86Å; Y89-Q398 VanDerWaalsContact OH-OE1 3.07Å; Y89-F400 HydrophobicContact CD1-CE2 4.45Å; Y89-F400 AromaticContact CD1-CZ 3.92Å; Y89-F400 HydrophobicContact CD1-CZ 3.92Å; Y89-F400 HydrophobicContact CE1-CE2 4.26Å; Y89-F400 AromaticContact CE1-CZ 3.68Å; Y89-F400 HydrophobicContact CE1-CZ 3.68Å; Y89-F427 AromaticContact CD2-CZ 3.98Å; Y89-F427 HydrophobicContact CD2-CZ 3.98Å; Y89-F427 HydrophobicContact CE2-CE2 4.44Å; Y89-F427 HydrophobicContact CE2-CZ 4.28Å; Y89-F427 HydrophobicContact CG-CZ 4.13Å |
| 90 | F | 95 | Very high | 89.4 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138.3 | 176.4 | -63.5 | -93.9 | 0 | 0 | 0 | 110.8 | S82 L83 R85 N88 L103 E104 I116 L135 L161 | S82-F90 CarbonylContact C-O 3.59Å; S82-F90 VanDerWaalsContact CA-O 3.31Å; S82-F90 WeakPolarHBondContact CA-O 3.39Å; L83-F90 HydrophobicContact CB-CB 4.4Å; L83-F90 PolarHBondContact N-O 3.37Å; L83-F90 PolarHBondContact O-N 3.19Å; R85-F90 HydrophobicContact CB-CD2 3.92Å; R85-F90 HydrophobicContact CB-CE2 3.71Å; R85-F90 HydrophobicContact CG-CD2 4.31Å; N88-F90 HydrophobicContact CB-CD2 4.22Å; N88-F90 HydrophobicContact CB-CE2 3.49Å; N88-F90 VanDerWaalsContact CB-CE2 3.49Å; N88-F90 HydrophobicContact CB-CZ 3.85Å; F90-L103 HydrophobicContact CB-CD1 4.49Å; F90-E104 WeakPolarHBondContact CA-O 3.33Å; F90-I116 HydrophobicContact CE1-CG1 4.5Å; F90-L135 HydrophobicContact CB-CD1 3.39Å; F90-L135 HydrophobicContact CD1-CD1 3.7Å; F90-L135 HydrophobicContact CD1-CD2 4.03Å; F90-L135 HydrophobicContact CD2-CD1 3.79Å; F90-L135 HydrophobicContact CE1-CD1 4.38Å; F90-L135 HydrophobicContact CE1-CD2 4.01Å; F90-L135 HydrophobicContact CE2-CD1 4.46Å; F90-L135 HydrophobicContact CG-CD1 3.35Å; F90-L135 HydrophobicContact CG-CD2 4.43Å; F90-L135 HydrophobicContact CZ-CD2 4.39Å; F90-L161 HydrophobicContact CE1-CD1 3.68Å; F90-L161 HydrophobicContact CZ-CD1 3.98Å |
| 91 | Y | 94.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 147.4 | -179.6 | 57.3 | -75.9 | 0 | 0 | 0 | 110.5 | Y79 F93 E104 I106 P113 R428 | Y79-Y91 HydrophobicContact CD1-CD2 4.02Å; Y79-Y91 AromaticContact CD1-CE2 3.9Å; Y79-Y91 HydrophobicContact CD1-CE2 3.9Å; Y79-Y91 HydrophobicContact CE1-CE2 4.34Å; Y91-F93 HydrophobicContact CD2-CB 4.27Å; Y91-F93 HydrophobicContact CE2-CB 4.01Å; Y91-E104 HydrophobicContact CE1-CB 3.92Å; Y91-E104 HydrophobicContact CE2-CB 3.87Å; Y91-E104 HydrophobicContact CE2-CG 4.49Å; Y91-E104 VanDerWaalsContact CE2-OE2 3.27Å; Y91-E104 WeakPolarHBondContact CE2-OE2 3.31Å; Y91-E104 VanDerWaalsContact CZ-CB 3.47Å; Y91-E104 PolarHBondContact N-O 3.36Å; Y91-E104 VanDerWaalsContact N-O 3.09Å; Y91-E104 PolarHBondContact O-N 3.15Å; Y91-E104 WeakPolarHBondContact OH-CB 3.37Å; Y91-E104 PolarHBondContact OH-OE2 3Å; Y91-I106 HydrophobicContact CE1-CD1 4.46Å; Y91-I106 HydrophobicContact CE1-CG1 4.1Å; Y91-P113 WeakPolarHBondContact OH-CB 3.48Å; Y91-R428 PolarHBondContact OH-NH1 3.04Å; Y91-R428 PolarHBondContact OH-NH2 2.92Å |
| 92 | C | 95 | Very high | 89.1 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 137.3 | 165.6 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | T80 I101 V102 F133 | T80-C92 HydrophobicContact CG2-CB 3.88Å; T80-C92 PolarHBondContact N-O 3.49Å; T80-C92 VanDerWaalsContact N-O 3.09Å; T80-C92 PolarHBondContact OG1-N 2.89Å; T80-C92 PolarHBondContact OG1-O 3.38Å; C92-I101 HydrophobicContact CB-CG2 3.78Å; C92-V102 CarbonylContact C-O 3.51Å; C92-V102 VanDerWaalsContact CA-O 3.31Å; C92-V102 WeakPolarHBondContact CA-O 3.48Å; C92-F133 WeakPolarHBondContact SG-CE1 3.47Å |
| 93 | F | 92.7 | Very high | 89.2 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 10% | 0.101 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.6 | 179.5 | 169.7 | -125.6 | 0 | 0 | 0 | 109.9 | D77 Q78 Y79 Y91 I101 V102 E104 | D77-F93 HydrophobicContact CB-CE2 3.69Å; D77-F93 HydrophobicContact CB-CZ 4.4Å; D77-F93 VanDerWaalsContact CG-CE2 3.48Å; D77-F93 WeakPolarHBondContact OD2-CE2 3.24Å; D77-F93 WeakPolarHBondContact OD2-CZ 3.31Å; Q78-F93 WeakPolarHBondContact O-CA 3.29Å; Y79-F93 HydrophobicContact CD1-CB 4.47Å; Y79-F93 AromaticContact CD1-CD2 3.64Å; Y79-F93 HydrophobicContact CD1-CD2 3.64Å; Y79-F93 HydrophobicContact CD1-CE2 4.35Å; Y79-F93 HydrophobicContact CD1-CG 4.43Å; Y79-F93 AromaticContact CE1-CD2 3.22Å; Y79-F93 HydrophobicContact CE1-CD2 3.22Å; Y79-F93 AromaticContact CE1-CE2 3.54Å; Y79-F93 HydrophobicContact CE1-CE2 3.54Å; Y79-F93 HydrophobicContact CE1-CG 4.15Å; Y79-F93 AromaticContact CZ-CD2 3.94Å; Y79-F93 AromaticContact CZ-CE2 3.81Å; Y91-F93 HydrophobicContact CD2-CB 4.27Å; Y91-F93 HydrophobicContact CE2-CB 4.01Å; F93-I101 WeakPolarHBondContact O-CA 3.43Å; F93-V102 HydrophobicContact CB-CG2 4.02Å; F93-V102 HydrophobicContact CD1-CG2 3.72Å; F93-V102 HydrophobicContact CG-CG2 4.33Å; F93-V102 PolarHBondContact N-O 3.09Å; F93-V102 PolarHBondContact O-N 2.96Å; F93-E104 HydrophobicContact CB-CG 4.32Å; F93-E104 VanDerWaalsContact CD1-OE1 3.27Å; F93-E104 WeakPolarHBondContact CD1-OE1 3.36Å |
| 94 | K | 91.8 | Very high | 89.2 | Confident | 78 Ų | 78 | 52.3 Ų | 52.3 | 34% | 0.339 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 112.3 | 168.3 | -172.2 | 178.3 | 178.6 | 171.1 | 0 | 108.5 | D77 Q78 E99 I101 | D77-K94 WeakPolarHBondContact CA-O 3.49Å; Q78-K94 HydrophobicContact CB-CB 4.29Å; Q78-K94 PolarHBondContact N-O 2.88Å; Q78-K94 PolarHBondContact O-N 2.66Å; K94-E99 WeakPolarHBondContact CE-O 3.42Å; K94-I101 HydrophobicContact CB-CG1 4.13Å; K94-I101 HydrophobicContact CD-CG1 4.17Å; K94-I101 HydrophobicContact CG-CG1 4.23Å |
| 95 | S | 88.9 | Confident | 89.3 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | trans | -69.3 | 145.7 | 173.6 | -179 | 0 | 0 | 0 | 0 | 110.2 | D77 N97 L98 | D77-S95 VanDerWaalsContact OD1-CA 3.28Å; D77-S95 WeakPolarHBondContact OD1-CA 3.11Å; D77-S95 PolarHBondContact OD1-OG 3.05Å; S95-N97 PolarHBondContact O-N 3.48Å; S95-N97 PolarHBondContact OG-N 3.35Å; S95-L98 PolarHBondContact O-N 3.2Å | ||
| 96 | S | 84.2 | Confident | 89.3 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23 | 174.2 | 83.1 | 0 | 0 | 0 | 0 | 113.3 | N75 F76 D77 | N75-S96 WeakPolarHBondContact OD1-CB 3.07Å; N75-S96 PolarHBondContact OD1-OG 3.02Å; F76-S96 VanDerWaalsContact C-CB 3.5Å; D77-S96 PolarHBondContact OD1-N 3Å |
| 97 | N | 81.7 | Confident | 89.1 | Confident | 131 Ų | 131 | 51.5 Ų | 51.5 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -3.1 | -177.6 | -60.5 | -39.4 | 0 | 0 | 0 | 113.7 | S95 | S95-N97 PolarHBondContact O-N 3.48Å; S95-N97 PolarHBondContact OG-N 3.35Å |
| 98 | L | 76.5 | Confident | 88.3 | Confident | 104 Ų | 104 | 48.7 Ų | 48.7 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | trans | -123.3 | 144.4 | -177.1 | -61 | 175.1 | 0 | 0 | 0 | 110.3 | S95 | S95-L98 PolarHBondContact O-N 3.2Š| ||
| 99 | E | 77.7 | Confident | 87.1 | Confident | 178 Ų | 178 | 54.1 Ų | 54.1 | 83% | 0.832 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -75.7 | -34 | 176.5 | -67.2 | -171.7 | 160 | 0 | 0 | 112.1 | K94 | K94-E99 WeakPolarHBondContact CE-O 3.42Š|
| 100 | N | 84.2 | Confident | 85.6 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -84.3 | 148.3 | -171.2 | -66.9 | -31.5 | 0 | 0 | 0 | 113.2 | P119 T120 | N100-P119 HydrophobicContact CB-CG 4.28Å; N100-T120 VanDerWaalsContact ND2-CG2 3.31Å; N100-T120 WeakPolarHBondContact ND2-CG2 3.26Å |
| 101 | I | 89.9 | Confident | 84.6 | Confident | 96 Ų | 96 | 64 Ų | 64 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.4 | 169.5 | -55.6 | 179 | 0 | 0 | 0 | 107.8 | C92 F93 K94 P119 | C92-I101 HydrophobicContact CB-CG2 3.78Å; F93-I101 WeakPolarHBondContact O-CA 3.43Å; K94-I101 HydrophobicContact CB-CG1 4.13Å; K94-I101 HydrophobicContact CD-CG1 4.17Å; K94-I101 HydrophobicContact CG-CG1 4.23Å; I101-P119 WeakPolarHBondContact O-CD 3.32Å |
| 102 | V | 92.6 | Very high | 84.1 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 7% | 0.067 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 154.4 | 176.3 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | C92 F93 E104 L117 D118 | C92-V102 CarbonylContact C-O 3.51Å; C92-V102 VanDerWaalsContact CA-O 3.31Å; C92-V102 WeakPolarHBondContact CA-O 3.48Å; F93-V102 HydrophobicContact CB-CG2 4.02Å; F93-V102 HydrophobicContact CD1-CG2 3.72Å; F93-V102 HydrophobicContact CG-CG2 4.33Å; F93-V102 PolarHBondContact N-O 3.09Å; F93-V102 PolarHBondContact O-N 2.96Å; V102-E104 HydrophobicContact CG2-CG 4.06Å; V102-L117 CarbonylContact C-O 3.59Å; V102-L117 WeakPolarHBondContact CA-O 3.25Å; V102-L117 WeakPolarHBondContact CB-O 3.39Å; V102-D118 HydrophobicContact CG1-CB 3.91Å |
| 103 | L | 94.5 | Very high | 83.9 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.2 | 167.9 | -176.4 | 64.2 | 0 | 0 | 0 | 108.7 | F90 I116 L117 F133 L142 | F90-L103 HydrophobicContact CB-CD1 4.49Å; L103-I116 PolarHBondContact O-N 3.14Å; L103-L117 HydrophobicContact CB-CB 3.8Å; L103-L117 HydrophobicContact CD2-CB 4.48Å; L103-L117 PolarHBondContact N-O 3.05Å; L103-L117 PolarHBondContact O-N 2.61Å; L103-F133 HydrophobicContact CD1-CE1 4.36Å; L103-F133 HydrophobicContact CD1-CE2 3.8Å; L103-F133 HydrophobicContact CD1-CZ 3.69Å; L103-F133 HydrophobicContact CD2-CD2 3.93Å; L103-F133 HydrophobicContact CD2-CE2 3.97Å; L103-F133 HydrophobicContact CD2-CG 4.42Å; L103-F133 HydrophobicContact CD2-CZ 4.49Å; L103-L142 HydrophobicContact CD2-CD1 3.82Å; L103-L142 HydrophobicContact CD2-CD2 4.26Å |
| 104 | E | 93.8 | Very high | 83.9 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 9% | 0.093 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 153.9 | 175.5 | -67.7 | -175.4 | 162.1 | 0 | 0 | 111 | F90 Y91 F93 V102 Q114 I115 | F90-E104 WeakPolarHBondContact CA-O 3.33Å; Y91-E104 HydrophobicContact CE1-CB 3.92Å; Y91-E104 HydrophobicContact CE2-CB 3.87Å; Y91-E104 HydrophobicContact CE2-CG 4.49Å; Y91-E104 VanDerWaalsContact CE2-OE2 3.27Å; Y91-E104 WeakPolarHBondContact CE2-OE2 3.31Å; Y91-E104 VanDerWaalsContact CZ-CB 3.47Å; Y91-E104 PolarHBondContact N-O 3.36Å; Y91-E104 VanDerWaalsContact N-O 3.09Å; Y91-E104 PolarHBondContact O-N 3.15Å; Y91-E104 WeakPolarHBondContact OH-CB 3.37Å; Y91-E104 PolarHBondContact OH-OE2 3Å; F93-E104 HydrophobicContact CB-CG 4.32Å; F93-E104 VanDerWaalsContact CD1-OE1 3.27Å; F93-E104 WeakPolarHBondContact CD1-OE1 3.36Å; V102-E104 HydrophobicContact CG2-CG 4.06Å; E104-Q114 CarbonylContact C-O 3.35Å; E104-Q114 VanDerWaalsContact CA-O 3.3Å; E104-Q114 WeakPolarHBondContact CA-O 3.45Å; E104-I115 HydrophobicContact CG-CG1 4.2Å |
| 105 | S | 93.2 | Very high | 83.9 | Confident | 5 Ų | 5 | 75.3 Ų | 75.3 | 4% | 0.035 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 146.7 | 168.5 | 73.7 | 0 | 0 | 0 | 0 | 111.6 | Y89 P113 Q114 I116 | Y89-S105 CarbonylContact O-C 3.58Å; Y89-S105 WeakPolarHBondContact O-CA 3.14Å; S105-P113 CarbonylContact O-C 3.59Å; S105-P113 WeakPolarHBondContact O-CA 3.36Å; S105-Q114 PolarHBondContact N-O 3.29Å; S105-Q114 PolarHBondContact O-N 3.14Å; S105-I116 WeakPolarHBondContact OG-CD1 3.41Å; S105-I116 WeakPolarHBondContact OG-CG1 3.32Å |
| 106 | I | 90.1 | Very high | 84.1 | Confident | 9 Ų | 9 | 74.9 Ų | 74.9 | 5% | 0.046 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129 | 167.5 | -68.9 | -166.7 | 0 | 0 | 0 | 107.9 | N88 Y89 Y91 I110 P113 | N88-I106 CarbonylContact C-O 3.54Å; N88-I106 WeakPolarHBondContact CA-O 3.24Å; Y89-I106 HydrophobicContact CD2-CB 4.41Å; Y89-I106 HydrophobicContact CD2-CG2 4.29Å; Y89-I106 PolarHBondContact N-O 2.85Å; Y89-I106 PolarHBondContact O-N 3.2Å; Y91-I106 HydrophobicContact CE1-CD1 4.46Å; Y91-I106 HydrophobicContact CE1-CG1 4.1Å; I106-I110 WeakPolarHBondContact CG2-O 3.48Å; I106-P113 HydrophobicContact CD1-CG 3.88Å; I106-P113 HydrophobicContact CG1-CB 4.26Å; I106-P113 HydrophobicContact CG1-CG 4.15Å |
| 107 | Q | 82.3 | Confident | 84.5 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 37% | 0.369 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 135 | 169 | -57.3 | -172.3 | -3.2 | 0 | 0 | 108.9 | N88 N109 I110 | N88-Q107 WeakPolarHBondContact OD1-CA 3.37Å; N88-Q107 WeakPolarHBondContact OD1-CG 3.18Å; Q107-N109 PolarHBondContact O-N 2.94Å; Q107-I110 HydrophobicContact CB-CB 4.22Å; Q107-I110 CarbonylContact O-C 3.6Å; Q107-I110 PolarHBondContact O-N 3.32Å |
| 108 | N | 71.7 | Confident | 84.9 | Confident | 76 Ų | 76 | 67.9 Ų | 67.9 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -25.8 | -173.7 | -167.3 | 19.1 | 0 | 0 | 0 | 114.3 | N87 Y89 | N87-N108 VanDerWaalsContact O-CB 3.26Å; N87-N108 WeakPolarHBondContact O-CB 3.31Å; N87-N108 PolarHBondContact O-N 3.33Å; Y89-N108 HydrophobicContact CE2-CB 3.96Å; Y89-N108 VanDerWaalsContact CE2-OD1 3.23Å; Y89-N108 WeakPolarHBondContact CE2-OD1 3.42Å; Y89-N108 VanDerWaalsContact CZ-OD1 3.31Å; Y89-N108 VanDerWaalsContact OH-CG 3.3Å; Y89-N108 PolarHBondContact OH-OD1 2.85Å |
| 109 | N | 66.1 | Low | 85.4 | Confident | 153 Ų | 153 | 64 Ų | 64 | 82% | 0.818 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -11.5 | -178.8 | -58.1 | -2.7 | 0 | 0 | 0 | 113.6 | Q107 | Q107-N109 PolarHBondContact O-N 2.94Š|
| 110 | I | 60.3 | Low | 85.6 | Confident | 85 Ų | 85 | 59.6 Ų | 59.6 | 44% | 0.436 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 97.1 | -174.4 | -51.3 | -178 | 0 | 0 | 0 | 106.7 | I106 Q107 I112 | I106-I110 WeakPolarHBondContact CG2-O 3.48Å; Q107-I110 HydrophobicContact CB-CB 4.22Å; Q107-I110 CarbonylContact O-C 3.6Å; Q107-I110 PolarHBondContact O-N 3.32Å; I110-I112 HydrophobicContact CG2-CB 4.21Å; I110-I112 HydrophobicContact CG2-CD1 4.21Å; I110-I112 HydrophobicContact CG2-CG1 4.17Å; I110-I112 PolarHBondContact O-N 3.34Å |
| 111 | N | 74.7 | Confident | 85.5 | Confident | 134 Ų | 134 | 60.7 Ų | 60.7 | 72% | 0.717 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 32 | -176.7 | -79.2 | -14.7 | 0 | 0 | 0 | 114.3 | ||
| 112 | I | 85.2 | Confident | 85.2 | Confident | 117 Ų | 117 | 58.7 Ų | 58.7 | 60% | 0.6 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.7 | 179.6 | -56.9 | 175.4 | 0 | 0 | 0 | 108.2 | I110 | I110-I112 HydrophobicContact CG2-CB 4.21Å; I110-I112 HydrophobicContact CG2-CD1 4.21Å; I110-I112 HydrophobicContact CG2-CG1 4.17Å; I110-I112 PolarHBondContact O-N 3.34Å |
| 113 | P | 90.2 | Very high | 84.5 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 139.1 | 172.9 | -22 | 31.5 | 0 | 0 | 0 | 113.3 | Y91 S105 I106 | Y91-P113 WeakPolarHBondContact OH-CB 3.48Å; S105-P113 CarbonylContact O-C 3.59Å; S105-P113 WeakPolarHBondContact O-CA 3.36Å; I106-P113 HydrophobicContact CD1-CG 3.88Å; I106-P113 HydrophobicContact CG1-CB 4.26Å; I106-P113 HydrophobicContact CG1-CG 4.15Å |
| 114 | Q | 91.5 | Very high | 83.7 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.2 | 168.3 | -67 | -177.9 | -15.9 | 0 | 0 | 109.1 | E104 S105 I116 | E104-Q114 CarbonylContact C-O 3.35Å; E104-Q114 VanDerWaalsContact CA-O 3.3Å; E104-Q114 WeakPolarHBondContact CA-O 3.45Å; S105-Q114 PolarHBondContact N-O 3.29Å; S105-Q114 PolarHBondContact O-N 3.14Å; Q114-I116 PolarHBondContact O-N 3.01Å |
| 115 | I | 91.8 | Very high | 83 | Confident | 88 Ų | 88 | 74.2 Ų | 74.2 | 45% | 0.451 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 124.4 | 174.6 | -64.3 | 174.4 | 0 | 0 | 0 | 108.4 | E104 D118 | E104-I115 HydrophobicContact CG-CG1 4.2Å; I115-D118 HydrophobicContact CG2-CB 3.71Å |
| 116 | I | 92.9 | Very high | 82.3 | Confident | 10 Ų | 10 | 84.1 Ų | 84.1 | 5% | 0.051 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -34.7 | -179.1 | -63 | -63.3 | 0 | 0 | 0 | 111.4 | F90 L103 S105 Q114 L142 K159 L161 | F90-I116 HydrophobicContact CE1-CG1 4.5Å; L103-I116 PolarHBondContact O-N 3.14Å; S105-I116 WeakPolarHBondContact OG-CD1 3.41Å; S105-I116 WeakPolarHBondContact OG-CG1 3.32Å; Q114-I116 PolarHBondContact O-N 3.01Å; I116-L142 HydrophobicContact CG2-CD2 4.06Å; I116-K159 PolarHBondContact O-NZ 3.46Å; I116-L161 HydrophobicContact CG2-CD1 4.14Å; I116-L161 HydrophobicContact CG2-CD2 3.26Å; I116-L161 HydrophobicContact CG2-CG 4.29Å |
| 117 | L | 93.2 | Very high | 82.1 | Confident | 7 Ų | 7 | 87.6 Ų | 87.6 | 4% | 0.037 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 117.2 | 177.6 | -171.5 | 66 | 0 | 0 | 0 | 109.5 | V102 L103 I122 I130 L142 Y144 | V102-L117 CarbonylContact C-O 3.59Å; V102-L117 WeakPolarHBondContact CA-O 3.25Å; V102-L117 WeakPolarHBondContact CB-O 3.39Å; L103-L117 HydrophobicContact CB-CB 3.8Å; L103-L117 HydrophobicContact CD2-CB 4.48Å; L103-L117 PolarHBondContact N-O 3.05Å; L103-L117 PolarHBondContact O-N 2.61Å; L117-I122 HydrophobicContact CD1-CD1 4.23Å; L117-I122 HydrophobicContact CD1-CG2 4.39Å; L117-I130 HydrophobicContact CD1-CD1 3.95Å; L117-I130 HydrophobicContact CD2-CD1 3.64Å; L117-I130 HydrophobicContact CD2-CG2 4Å; L117-I130 HydrophobicContact CG-CD1 3.57Å; L117-L142 HydrophobicContact CB-CD2 4.19Å; L117-L142 HydrophobicContact CD1-CD2 4.44Å; L117-L142 HydrophobicContact CD2-CD2 4.27Å; L117-Y144 HydrophobicContact CD1-CD1 4.05Å; L117-Y144 HydrophobicContact CD1-CD2 4.09Å; L117-Y144 HydrophobicContact CD1-CE1 4.07Å; L117-Y144 HydrophobicContact CD1-CE2 4.11Å; L117-Y144 HydrophobicContact CD1-CG 4.06Å; L117-Y144 HydrophobicContact CD2-CD2 4.36Å; L117-Y144 HydrophobicContact CD2-CG 4Å |
| 118 | D | 90.2 | Very high | 82.5 | Confident | 21 Ų | 21 | 86.2 Ų | 86.2 | 11% | 0.112 | 44% | 0.438 | C | S | . | . | trans | -130.3 | 120.4 | 175.7 | -177.1 | -24 | 0 | 0 | 0 | 109 | V102 I115 T120 C121 I122 | V102-D118 HydrophobicContact CG1-CB 3.91Å; I115-D118 HydrophobicContact CG2-CB 3.71Å; D118-T120 PolarHBondContact O-N 2.95Å; D118-T120 VanDerWaalsContact O-N 3.12Å; D118-T120 WeakPolarHBondContact OD1-CB 3.5Å; D118-T120 PolarHBondContact OD1-N 2.89Å; D118-T120 PolarHBondContact OD1-OG1 3.46Å; D118-T120 PolarHBondContact OD2-OG1 2.89Å; D118-C121 HydrophobicContact CB-CB 4.09Å; D118-C121 PolarHBondContact O-N 3.34Å; D118-I122 PolarHBondContact O-N 3.37Å | ||
| 119 | P | 86.3 | Confident | 83.4 | Confident | 22 Ų | 22 | 86.6 Ų | 86.6 | 14% | 0.143 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -31.8 | 176.4 | -27.7 | 34.9 | 0 | 0 | 0 | 114.1 | N100 I101 L124 I130 | N100-P119 HydrophobicContact CB-CG 4.28Å; I101-P119 WeakPolarHBondContact O-CD 3.32Å; P119-L124 HydrophobicContact CB-CD1 4.03Å; P119-I130 HydrophobicContact CB-CD1 4.45Å; P119-I130 HydrophobicContact CG-CD1 3.84Å; P119-I130 HydrophobicContact CG-CG1 4.36Å |
| 120 | T | 83.6 | Confident | 84.6 | Confident | 85 Ų | 85 | 81.5 Ų | 81.5 | 52% | 0.521 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -32.6 | 179.6 | 69.7 | 0 | 0 | 0 | 0 | 112.6 | N100 D118 | N100-T120 VanDerWaalsContact ND2-CG2 3.31Å; N100-T120 WeakPolarHBondContact ND2-CG2 3.26Å; D118-T120 PolarHBondContact O-N 2.95Å; D118-T120 VanDerWaalsContact O-N 3.12Å; D118-T120 WeakPolarHBondContact OD1-CB 3.5Å; D118-T120 PolarHBondContact OD1-N 2.89Å; D118-T120 PolarHBondContact OD1-OG1 3.46Å; D118-T120 PolarHBondContact OD2-OG1 2.89Å |
| 121 | C | 81.4 | Confident | 86.1 | Confident | 91 Ų | 91 | 79.3 Ų | 79.3 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -33.8 | -179.3 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | D118 R123 | D118-C121 HydrophobicContact CB-CB 4.09Å; D118-C121 PolarHBondContact O-N 3.34Å; C121-R123 PolarHBondContact O-N 3.42Å |
| 122 | I | 83.1 | Confident | 87 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 28% | 0.282 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 6.1 | 178.5 | 65.9 | 177.1 | 0 | 0 | 0 | 113.3 | L117 D118 L124 I130 Y144 I146 | L117-I122 HydrophobicContact CD1-CD1 4.23Å; L117-I122 HydrophobicContact CD1-CG2 4.39Å; D118-I122 PolarHBondContact O-N 3.37Å; I122-L124 VanDerWaalsContact C-N 3.32Å; I122-L124 HydrophobicContact CD1-CD1 4.13Å; I122-L124 HydrophobicContact CD1-CD2 3.68Å; I122-L124 HydrophobicContact CD1-CG 3.85Å; I122-L124 HydrophobicContact CG1-CD1 4.43Å; I122-L124 HydrophobicContact CG1-CD2 3.86Å; I122-L124 HydrophobicContact CG1-CG 3.76Å; I122-L124 PolarHBondContact O-N 3.03Å; I122-I130 HydrophobicContact CD1-CD1 3.74Å; I122-I130 HydrophobicContact CD1-CG1 4.18Å; I122-Y144 HydrophobicContact CD1-CE2 4.09Å; I122-I146 HydrophobicContact CD1-CD1 4.25Å |
| 123 | R | 77.6 | Confident | 87.5 | Confident | 222 Ų | 222 | 71.5 Ų | 71.5 | 84% | 0.838 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 43.8 | 175.1 | -57.2 | -178.2 | -178.9 | 180 | 0.3 | 113.6 | C121 N125 | C121-R123 PolarHBondContact O-N 3.42Å; R123-N125 PolarHBondContact O-N 3.26Å |
| 124 | L | 78.7 | Confident | 87.8 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 16% | 0.162 | 36% | 0.356 | C | S | . | . | trans | -54.5 | 140 | 170.7 | -63.5 | -174.5 | 0 | 0 | 0 | 110 | P119 I122 E128 I130 I146 | P119-L124 HydrophobicContact CB-CD1 4.03Å; I122-L124 VanDerWaalsContact C-N 3.32Å; I122-L124 HydrophobicContact CD1-CD1 4.13Å; I122-L124 HydrophobicContact CD1-CD2 3.68Å; I122-L124 HydrophobicContact CD1-CG 3.85Å; I122-L124 HydrophobicContact CG1-CD1 4.43Å; I122-L124 HydrophobicContact CG1-CD2 3.86Å; I122-L124 HydrophobicContact CG1-CG 3.76Å; I122-L124 PolarHBondContact O-N 3.03Å; L124-E128 HydrophobicContact CB-CB 3.94Å; L124-E128 HydrophobicContact CD1-CB 4.5Å; L124-E128 HydrophobicContact CD2-CB 4.17Å; L124-E128 HydrophobicContact CG-CB 4.4Å; L124-I130 HydrophobicContact CD1-CG1 3.91Å; L124-I146 HydrophobicContact CD2-CD1 3.44Å; L124-I146 VanDerWaalsContact CD2-CD1 3.44Å; L124-I146 HydrophobicContact CD2-CG1 4.01Å; L124-I146 HydrophobicContact CD2-CG2 4.18Å | ||
| 125 | N | 78.9 | Confident | 88 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 57% | 0.567 | 33% | 0.333 | S | S | * | . | trans | -63.1 | 157.3 | 166 | -71.2 | -28.9 | 0 | 0 | 0 | 109.3 | R123 L127 E128 | R123-N125 PolarHBondContact O-N 3.26Å; N125-L127 PolarHBondContact O-N 2.9Å; N125-E128 HydrophobicContact CB-CG 4.29Å; N125-E128 PolarHBondContact N-OE2 2.66Å; N125-E128 PolarHBondContact O-N 2.76Å | ||
| 126 | K | 78.8 | Confident | 88.1 | Confident | 214 Ų | 214 | 61.6 Ų | 61.6 | 93% | 0.93 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -15.5 | -178.4 | -70.6 | -174.1 | 176.9 | -176.8 | 0 | 115.1 | ||
| 127 | L | 85.3 | Confident | 88 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 43% | 0.429 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 6.7 | -179.1 | -61.9 | 175.4 | 0 | 0 | 0 | 112.5 | N125 Q149 T150 | N125-L127 PolarHBondContact O-N 2.9Å; L127-Q149 HydrophobicContact CB-CB 4.37Å; L127-Q149 WeakPolarHBondContact O-CB 3.37Å; L127-Q149 WeakPolarHBondContact O-CG 3.41Å; L127-Q149 PolarHBondContact O-N 3.33Å; L127-T150 WeakPolarHBondContact CD1-OG1 3.46Å |
| 128 | E | 89.9 | Confident | 87.9 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 23% | 0.229 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139.3 | 177.5 | -71.9 | 174 | 157.6 | 0 | 0 | 110.3 | L124 N125 I146 W147 N148 | L124-E128 HydrophobicContact CB-CB 3.94Å; L124-E128 HydrophobicContact CD1-CB 4.5Å; L124-E128 HydrophobicContact CD2-CB 4.17Å; L124-E128 HydrophobicContact CG-CB 4.4Å; N125-E128 HydrophobicContact CB-CG 4.29Å; N125-E128 PolarHBondContact N-OE2 2.66Å; N125-E128 PolarHBondContact O-N 2.76Å; E128-I146 HydrophobicContact CB-CG2 4Å; E128-I146 HydrophobicContact CG-CG2 4.23Å; E128-W147 VanDerWaalsContact CA-O 3.3Å; E128-W147 WeakPolarHBondContact CA-O 3.42Å; E128-N148 HydrophobicContact CG-CB 3.99Å; E128-N148 PolarHBondContact OE1-ND2 2.68Å |
| 129 | M | 90.7 | Very high | 88 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 42% | 0.419 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 148.1 | 179.2 | -58.7 | -171.4 | -50.5 | 0 | 0 | 110.7 | S131 I146 W147 | M129-S131 PolarHBondContact O-N 2.99Å; M129-I146 WeakPolarHBondContact O-CA 3.49Å; M129-W147 HydrophobicContact CE-CE3 3.56Å; M129-W147 HydrophobicContact CE-CZ3 3.47Å; M129-W147 VanDerWaalsContact CE-CZ3 3.47Å; M129-W147 PolarHBondContact N-O 3.44Å; M129-W147 PolarHBondContact O-N 3.4Å |
| 130 | I | 92.7 | Very high | 88.4 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 24% | 0.236 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 116.6 | 170.7 | -53.6 | -179.7 | 0 | 0 | 0 | 107.8 | L117 P119 I122 L124 E145 | L117-I130 HydrophobicContact CD1-CD1 3.95Å; L117-I130 HydrophobicContact CD2-CD1 3.64Å; L117-I130 HydrophobicContact CD2-CG2 4Å; L117-I130 HydrophobicContact CG-CD1 3.57Å; P119-I130 HydrophobicContact CB-CD1 4.45Å; P119-I130 HydrophobicContact CG-CD1 3.84Å; P119-I130 HydrophobicContact CG-CG1 4.36Å; I122-I130 HydrophobicContact CD1-CD1 3.74Å; I122-I130 HydrophobicContact CD1-CG1 4.18Å; L124-I130 HydrophobicContact CD1-CG1 3.91Å; I130-E145 CarbonylContact C-O 3.52Å; I130-E145 WeakPolarHBondContact CA-O 3.31Å |
| 131 | S | 91.5 | Very high | 89.1 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -24.7 | -174 | 47.2 | 0 | 0 | 0 | 0 | 114 | M129 E145 | M129-S131 PolarHBondContact O-N 2.99Å; S131-E145 WeakPolarHBondContact CB-OE2 3.15Å; S131-E145 PolarHBondContact N-O 3.01Å; S131-E145 VanDerWaalsContact OG-CD 3.22Å; S131-E145 VanDerWaalsContact OG-CG 3.26Å; S131-E145 WeakPolarHBondContact OG-CG 3.36Å; S131-E145 PolarHBondContact OG-O 2.91Å; S131-E145 PolarHBondContact OG-OE2 3.15Å |
| 132 | A | 93.7 | Very high | 89.8 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 164.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y144 E145 M179 | A132-Y144 WeakPolarHBondContact O-CA 3.35Å; A132-E145 HydrophobicContact CB-CB 4.15Å; A132-E145 PolarHBondContact O-N 3.13Å; A132-M179 HydrophobicContact CB-CE 3.76Å |
| 133 | F | 95.8 | Very high | 90.5 | Very high | 60 Ų | 60 | 58.5 Ų | 58.5 | 26% | 0.263 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 161.3 | 168.5 | 71.8 | -86 | 0 | 0 | 0 | 111.4 | L83 C92 L103 L135 L142 C143 | L83-F133 HydrophobicContact CD1-CE2 4.43Å; C92-F133 WeakPolarHBondContact SG-CE1 3.47Å; L103-F133 HydrophobicContact CD1-CE1 4.36Å; L103-F133 HydrophobicContact CD1-CE2 3.8Å; L103-F133 HydrophobicContact CD1-CZ 3.69Å; L103-F133 HydrophobicContact CD2-CD2 3.93Å; L103-F133 HydrophobicContact CD2-CE2 3.97Å; L103-F133 HydrophobicContact CD2-CG 4.42Å; L103-F133 HydrophobicContact CD2-CZ 4.49Å; F133-L135 HydrophobicContact CD2-CG 4.4Å; F133-L135 HydrophobicContact CE2-CD1 4.2Å; F133-L135 HydrophobicContact CE2-CG 4.42Å; F133-L142 HydrophobicContact CB-CD1 3.95Å; F133-L142 HydrophobicContact CD2-CD1 3.93Å; F133-L142 HydrophobicContact CG-CD1 4.31Å; F133-C143 CarbonylContact C-O 3.47Å; F133-C143 WeakPolarHBondContact CA-O 3.24Å; F133-C143 WeakPolarHBondContact CB-O 3.03Å |
| 134 | N | 95.9 | Very high | 91.4 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 145.1 | 170.5 | -158.5 | -54.5 | 0 | 0 | 0 | 110.7 | C143 M179 W181 | N134-C143 PolarHBondContact N-O 3.38Å; N134-C143 PolarHBondContact O-N 3.3Å; N134-M179 HydrophobicContact CB-CG 3.78Å; N134-M179 HydrophobicContact CB-SD 4.27Å; N134-M179 PolarHBondContact ND2-O 3.42Å; N134-W181 PolarHBondContact O-NE1 3.31Å; N134-W181 VanDerWaalsContact O-NE1 3.08Å |
| 135 | L | 95.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.9 | -177 | -72.1 | 161.5 | 0 | 0 | 0 | 110.3 | L83 R85 F90 F133 L142 L161 | L83-L135 HydrophobicContact CD1-CD1 4.36Å; R85-L135 HydrophobicContact CG-CB 4.05Å; R85-L135 HydrophobicContact CG-CD1 4.5Å; R85-L135 PolarHBondContact NE-O 3.02Å; F90-L135 HydrophobicContact CB-CD1 3.39Å; F90-L135 HydrophobicContact CD1-CD1 3.7Å; F90-L135 HydrophobicContact CD1-CD2 4.03Å; F90-L135 HydrophobicContact CD2-CD1 3.79Å; F90-L135 HydrophobicContact CE1-CD1 4.38Å; F90-L135 HydrophobicContact CE1-CD2 4.01Å; F90-L135 HydrophobicContact CE2-CD1 4.46Å; F90-L135 HydrophobicContact CG-CD1 3.35Å; F90-L135 HydrophobicContact CG-CD2 4.43Å; F90-L135 HydrophobicContact CZ-CD2 4.39Å; F133-L135 HydrophobicContact CD2-CG 4.4Å; F133-L135 HydrophobicContact CE2-CD1 4.2Å; F133-L135 HydrophobicContact CE2-CG 4.42Å; L135-L142 HydrophobicContact CD2-CB 4.17Å; L135-L142 HydrophobicContact CD2-CD1 3.77Å; L135-L142 HydrophobicContact CG-CD1 4.23Å; L135-L161 HydrophobicContact CD2-CD1 3.7Å |
| 136 | S | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -63.2 | 148 | 174.7 | 85.2 | 0 | 0 | 0 | 0 | 110.6 | R85 C138 G139 K140 Y141 W181 N185 | R85-S136 WeakPolarHBondContact CD-O 3.38Å; S136-C138 PolarHBondContact O-N 3.15Å; S136-C138 VanDerWaalsContact O-N 3.17Å; S136-C138 PolarHBondContact OG-SG 3.3Å; S136-C138 VanDerWaalsContact OG-SG 3.32Å; S136-G139 WeakPolarHBondContact O-CA 3.36Å; S136-G139 PolarHBondContact O-N 2.97Å; S136-K140 PolarHBondContact OG-N 2.92Å; S136-Y141 PolarHBondContact N-O 3.36Å; S136-Y141 PolarHBondContact OG-N 3.28Å; S136-Y141 VanDerWaalsContact OG-N 3.09Å; S136-W181 VanDerWaalsContact N-CD1 3.28Å; S136-N185 WeakPolarHBondContact CB-OD1 3.23Å; S136-N185 PolarHBondContact OG-OD1 3.12Å | ||
| 137 | D | 89.8 | Confident | 93.8 | Very high | 49 Ų | 49 | 35.8 Ų | 35.8 | 26% | 0.262 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -33.6 | -172.9 | -88.3 | 1.7 | 0 | 0 | 0 | 113.7 | R85 G86 G139 N185 | R85-D137 IonicContact CZ-OD1 2.65Å; R85-D137 IonicContact NE-OD1 2.72Å; G86-D137 PolarHBondContact N-O 2.95Å; D137-G139 PolarHBondContact O-N 2.81Å; D137-N185 PolarHBondContact N-OD1 3.38Å |
| 138 | C | 91.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 33.1 Ų | 33.1 | 40% | 0.399 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -5.9 | 175.1 | 66 | 0 | 0 | 0 | 0 | 114.2 | S136 K140 N185 | S136-C138 PolarHBondContact O-N 3.15Å; S136-C138 VanDerWaalsContact O-N 3.17Å; S136-C138 PolarHBondContact OG-SG 3.3Å; S136-C138 VanDerWaalsContact OG-SG 3.32Å; C138-K140 VanDerWaalsContact C-N 3.26Å; C138-K140 PolarHBondContact O-N 3.36Å; C138-K140 VanDerWaalsContact SG-CB 3.54Å; C138-N185 PolarHBondContact N-OD1 3.33Å; C138-N185 PolarHBondContact SG-OD1 3.1Å |
| 139 | G | 92.9 | Very high | 94 | Very high | 6 Ų | 6 | 35 Ų | 35 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 71.8 | 16 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S136 D137 | S136-G139 WeakPolarHBondContact O-CA 3.36Å; S136-G139 PolarHBondContact O-N 2.97Å; D137-G139 PolarHBondContact O-N 2.81Å |
| 140 | K | 94.8 | Very high | 93.8 | Very high | 73 Ų | 73 | 35.9 Ų | 35.9 | 32% | 0.317 | 19% | 0.189 | S | C | . | . | trans | -90.1 | -36.5 | -177.2 | -173.7 | -177.8 | 173.7 | -163.6 | 0 | 112.8 | S136 C138 D160 L161 | S136-K140 PolarHBondContact OG-N 2.92Å; C138-K140 VanDerWaalsContact C-N 3.26Å; C138-K140 PolarHBondContact O-N 3.36Å; C138-K140 VanDerWaalsContact SG-CB 3.54Å; K140-D160 WeakPolarHBondContact CE-OD2 3.35Å; K140-D160 IonicContact NZ-OD2 2.89Å; K140-L161 WeakPolarHBondContact O-CB 3.42Å; K140-L161 WeakPolarHBondContact O-CG 3.45Å; K140-L161 PolarHBondContact O-N 3.2Å | ||
| 141 | Y | 97 | Very high | 93.5 | Very high | 39 Ų | 39 | 37.7 Ų | 37.7 | 15% | 0.153 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 139.5 | -174 | -58 | -69.4 | 0 | 0 | 0 | 111.5 | S136 K159 D160 L167 W181 N185 L219 | S136-Y141 PolarHBondContact N-O 3.36Å; S136-Y141 PolarHBondContact OG-N 3.28Å; S136-Y141 VanDerWaalsContact OG-N 3.09Å; Y141-K159 WeakPolarHBondContact CA-O 3.16Å; Y141-D160 HydrophobicContact CD1-CB 4.28Å; Y141-D160 HydrophobicContact CE1-CB 4.16Å; Y141-L167 HydrophobicContact CD1-CD1 4.11Å; Y141-L167 HydrophobicContact CE1-CD1 4.21Å; Y141-W181 VanDerWaalsContact CB-CH2 3.41Å; Y141-W181 HydrophobicContact CD2-CZ3 4.48Å; Y141-W181 HydrophobicContact CG-CH2 4.12Å; Y141-W181 HydrophobicContact CG-CZ3 4.46Å; Y141-N185 HydrophobicContact CD2-CB 4.37Å; Y141-L219 HydrophobicContact CD1-CD2 3.84Å; Y141-L219 HydrophobicContact CD2-CD2 4.25Å; Y141-L219 HydrophobicContact CE1-CD2 3.75Å; Y141-L219 HydrophobicContact CE2-CD2 4.17Å; Y141-L219 HydrophobicContact CG-CD2 4.08Å |
| 142 | L | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.7 | 170.7 | 171.9 | 69.5 | 0 | 0 | 0 | 108.4 | L103 I116 L117 F133 L135 Y144 F158 K159 L161 | L103-L142 HydrophobicContact CD2-CD1 3.82Å; L103-L142 HydrophobicContact CD2-CD2 4.26Å; I116-L142 HydrophobicContact CG2-CD2 4.06Å; L117-L142 HydrophobicContact CB-CD2 4.19Å; L117-L142 HydrophobicContact CD1-CD2 4.44Å; L117-L142 HydrophobicContact CD2-CD2 4.27Å; F133-L142 HydrophobicContact CB-CD1 3.95Å; F133-L142 HydrophobicContact CD2-CD1 3.93Å; F133-L142 HydrophobicContact CG-CD1 4.31Å; L135-L142 HydrophobicContact CD2-CB 4.17Å; L135-L142 HydrophobicContact CD2-CD1 3.77Å; L135-L142 HydrophobicContact CG-CD1 4.23Å; L142-Y144 HydrophobicContact CD2-CD1 3.99Å; L142-Y144 HydrophobicContact CG-CD1 4.11Å; L142-F158 CarbonylContact O-C 3.59Å; L142-F158 VanDerWaalsContact O-CA 3.28Å; L142-F158 WeakPolarHBondContact O-CA 3.48Å; L142-K159 HydrophobicContact CB-CB 4.36Å; L142-K159 PolarHBondContact N-O 2.85Å; L142-K159 PolarHBondContact O-N 3.47Å; L142-L161 HydrophobicContact CB-CD1 4.15Å; L142-L161 HydrophobicContact CB-CD2 3.72Å; L142-L161 HydrophobicContact CB-CG 4.11Å; L142-L161 HydrophobicContact CD2-CD2 4.35Å |
| 143 | C | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.3 | 161.6 | -175.4 | 0 | 0 | 0 | 0 | 108 | F133 N134 Y157 F158 M179 W181 I188 | F133-C143 CarbonylContact C-O 3.47Å; F133-C143 WeakPolarHBondContact CA-O 3.24Å; F133-C143 WeakPolarHBondContact CB-O 3.03Å; N134-C143 PolarHBondContact N-O 3.38Å; N134-C143 PolarHBondContact O-N 3.3Å; C143-Y157 CarbonylContact C-O 3.46Å; C143-Y157 VanDerWaalsContact CA-O 3.3Å; C143-Y157 WeakPolarHBondContact CA-O 3.35Å; C143-F158 HydrophobicContact CB-CD1 3.82Å; C143-F158 HydrophobicContact CB-CE1 3.76Å; C143-F158 WeakPolarHBondContact SG-CE1 3.41Å; C143-M179 HydrophobicContact CB-SD 4.09Å; C143-W181 HydrophobicContact CB-CZ2 3.83Å; C143-I188 HydrophobicContact CB-CD1 3.44Å; C143-I188 VanDerWaalsContact CB-CD1 3.44Å; C143-I188 WeakPolarHBondContact SG-CD1 3.26Å |
| 144 | Y | 96.8 | Very high | 93 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 145.8 | 177.5 | 65.4 | -86.3 | 0 | 0 | 0 | 111.4 | L117 I122 A132 L142 I146 L156 Y157 Q166 | L117-Y144 HydrophobicContact CD1-CD1 4.05Å; L117-Y144 HydrophobicContact CD1-CD2 4.09Å; L117-Y144 HydrophobicContact CD1-CE1 4.07Å; L117-Y144 HydrophobicContact CD1-CE2 4.11Å; L117-Y144 HydrophobicContact CD1-CG 4.06Å; L117-Y144 HydrophobicContact CD2-CD2 4.36Å; L117-Y144 HydrophobicContact CD2-CG 4Å; I122-Y144 HydrophobicContact CD1-CE2 4.09Å; A132-Y144 WeakPolarHBondContact O-CA 3.35Å; L142-Y144 HydrophobicContact CD2-CD1 3.99Å; L142-Y144 HydrophobicContact CG-CD1 4.11Å; Y144-I146 HydrophobicContact CD2-CD1 4.46Å; Y144-I146 HydrophobicContact CD2-CG1 4.17Å; Y144-I146 HydrophobicContact CE2-CD1 3.81Å; Y144-I146 HydrophobicContact CE2-CG1 4.02Å; Y144-L156 WeakPolarHBondContact O-CA 3.17Å; Y144-Y157 HydrophobicContact CE2-CD2 4.15Å; Y144-Y157 HydrophobicContact CE2-CG 4.15Å; Y144-Y157 PolarHBondContact N-O 3.03Å; Y144-Y157 PolarHBondContact O-N 2.92Å; Y144-Q166 PolarHBondContact OH-OE1 3.16Å |
| 145 | E | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128 | -177.9 | -173.6 | -173.8 | -124.4 | 0 | 0 | 109.8 | I130 S131 A132 Y154 K155 L156 K176 T177 M179 | I130-E145 CarbonylContact C-O 3.52Å; I130-E145 WeakPolarHBondContact CA-O 3.31Å; S131-E145 WeakPolarHBondContact CB-OE2 3.15Å; S131-E145 PolarHBondContact N-O 3.01Å; S131-E145 VanDerWaalsContact OG-CD 3.22Å; S131-E145 VanDerWaalsContact OG-CG 3.26Å; S131-E145 WeakPolarHBondContact OG-CG 3.36Å; S131-E145 PolarHBondContact OG-O 2.91Å; S131-E145 PolarHBondContact OG-OE2 3.15Å; A132-E145 HydrophobicContact CB-CB 4.15Å; A132-E145 PolarHBondContact O-N 3.13Å; E145-Y154 HydrophobicContact CG-CD1 4Å; E145-K155 CarbonylContact C-O 3.43Å; E145-K155 WeakPolarHBondContact CA-O 3.45Å; E145-L156 HydrophobicContact CB-CD2 3.6Å; E145-L156 HydrophobicContact CG-CD2 3.84Å; E145-K176 WeakPolarHBondContact OE1-CA 3.45Å; E145-T177 PolarHBondContact OE1-N 2.79Å; E145-M179 HydrophobicContact CB-CE 3.85Å |
| 146 | I | 95.2 | Very high | 93.1 | Very high | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 130.1 | 167.7 | -67.3 | 170.8 | 0 | 0 | 0 | 108.3 | I122 L124 E128 M129 Y144 Y154 K155 Y157 | I122-I146 HydrophobicContact CD1-CD1 4.25Å; L124-I146 HydrophobicContact CD2-CD1 3.44Å; L124-I146 VanDerWaalsContact CD2-CD1 3.44Å; L124-I146 HydrophobicContact CD2-CG1 4.01Å; L124-I146 HydrophobicContact CD2-CG2 4.18Å; E128-I146 HydrophobicContact CB-CG2 4Å; E128-I146 HydrophobicContact CG-CG2 4.23Å; M129-I146 WeakPolarHBondContact O-CA 3.49Å; Y144-I146 HydrophobicContact CD2-CD1 4.46Å; Y144-I146 HydrophobicContact CD2-CG1 4.17Å; Y144-I146 HydrophobicContact CE2-CD1 3.81Å; Y144-I146 HydrophobicContact CE2-CG1 4.02Å; I146-Y154 CarbonylContact O-C 3.43Å; I146-Y154 WeakPolarHBondContact O-CA 3.48Å; I146-K155 PolarHBondContact N-O 3.14Å; I146-K155 PolarHBondContact O-N 2.79Å; I146-Y157 HydrophobicContact CB-CD2 4.4Å; I146-Y157 HydrophobicContact CB-CE2 4.16Å; I146-Y157 HydrophobicContact CD1-CD2 3.68Å; I146-Y157 HydrophobicContact CD1-CE2 3.59Å; I146-Y157 HydrophobicContact CG1-CD2 4.11Å; I146-Y157 HydrophobicContact CG1-CE2 4.19Å |
| 147 | W | 94.2 | Very high | 93.1 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 28% | 0.28 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.3 | 169.5 | 173.3 | 42.6 | 0 | 0 | 0 | 110.2 | E128 M129 Q149 Y154 | E128-W147 VanDerWaalsContact CA-O 3.3Å; E128-W147 WeakPolarHBondContact CA-O 3.42Å; M129-W147 HydrophobicContact CE-CE3 3.56Å; M129-W147 HydrophobicContact CE-CZ3 3.47Å; M129-W147 VanDerWaalsContact CE-CZ3 3.47Å; M129-W147 PolarHBondContact N-O 3.44Å; M129-W147 PolarHBondContact O-N 3.4Å; W147-Q149 HydrophobicContact CD2-CG 4.25Å; W147-Q149 HydrophobicContact CE3-CG 4.1Å; W147-Q149 HydrophobicContact CH2-CG 3.77Å; W147-Q149 HydrophobicContact CZ2-CB 4.48Å; W147-Q149 HydrophobicContact CZ2-CG 3.91Å; W147-Q149 HydrophobicContact CZ3-CG 3.87Å; W147-Y154 HydrophobicContact CB-CD1 3.73Å; W147-Y154 HydrophobicContact CB-CE1 3.51Å; W147-Y154 AromaticContact CD1-CD1 3.98Å; W147-Y154 AromaticContact CD1-CE1 3.51Å; W147-Y154 AromaticContact CD1-CE2 3.66Å; W147-Y154 AromaticContact CD1-CZ 3.31Å; W147-Y154 HydrophobicContact CD2-CE1 4.33Å; W147-Y154 HydrophobicContact CG-CD1 4.07Å; W147-Y154 AromaticContact CG-CE1 3.5Å; W147-Y154 HydrophobicContact CG-CE1 3.5Å; W147-Y154 VanDerWaalsContact CG-CE1 3.5Å; W147-Y154 HydrophobicContact CG-CE2 4.45Å; W147-Y154 AromaticContact CG-CZ 3.71Å; W147-Y154 AromaticContact NE1-CZ 3.73Å |
| 148 | N | 91.6 | Very high | 93.5 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 114.2 | 172.9 | -172.4 | -42.8 | 0 | 0 | 0 | 110.2 | E128 T150 N151 G152 E153 | E128-N148 HydrophobicContact CG-CB 3.99Å; E128-N148 PolarHBondContact OE1-ND2 2.68Å; N148-T150 PolarHBondContact O-N 2.66Å; N148-T150 WeakPolarHBondContact OD1-CA 3.4Å; N148-T150 WeakPolarHBondContact OD1-CB 3.09Å; N148-T150 PolarHBondContact OD1-N 3.43Å; N148-T150 PolarHBondContact OD1-OG1 3.23Å; N148-N151 WeakPolarHBondContact CB-OD1 3.49Å; N148-N151 PolarHBondContact O-OD1 2.79Å; N148-G152 VanDerWaalsContact O-CA 3.24Å; N148-G152 WeakPolarHBondContact O-CA 3.4Å; N148-G152 PolarHBondContact O-N 3.12Å; N148-E153 PolarHBondContact N-O 3.27Å |
| 149 | Q | 87.5 | Confident | 93.7 | Very high | 89 Ų | 89 | 38 Ų | 38 | 42% | 0.416 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.2 | -177.9 | -65.3 | 179.5 | -13.5 | 0 | 0 | 113.5 | L127 W147 | L127-Q149 HydrophobicContact CB-CB 4.37Å; L127-Q149 WeakPolarHBondContact O-CB 3.37Å; L127-Q149 WeakPolarHBondContact O-CG 3.41Å; L127-Q149 PolarHBondContact O-N 3.33Å; W147-Q149 HydrophobicContact CD2-CG 4.25Å; W147-Q149 HydrophobicContact CE3-CG 4.1Å; W147-Q149 HydrophobicContact CH2-CG 3.77Å; W147-Q149 HydrophobicContact CZ2-CB 4.48Å; W147-Q149 HydrophobicContact CZ2-CG 3.91Å; W147-Q149 HydrophobicContact CZ3-CG 3.87Å |
| 150 | T | 86 | Confident | 93.8 | Very high | 102 Ų | 102 | 38.5 Ų | 38.5 | 63% | 0.626 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -43.8 | -175.3 | -40 | 0 | 0 | 0 | 0 | 111.7 | L127 N148 | L127-T150 WeakPolarHBondContact CD1-OG1 3.46Å; N148-T150 PolarHBondContact O-N 2.66Å; N148-T150 WeakPolarHBondContact OD1-CA 3.4Å; N148-T150 WeakPolarHBondContact OD1-CB 3.09Å; N148-T150 PolarHBondContact OD1-N 3.43Å; N148-T150 PolarHBondContact OD1-OG1 3.23Å |
| 151 | N | 86.6 | Confident | 93.8 | Very high | 85 Ų | 85 | 36.1 Ų | 36.1 | 46% | 0.455 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -4.3 | -176.6 | 62.9 | -2.1 | 0 | 0 | 0 | 113 | N148 E153 | N148-N151 WeakPolarHBondContact CB-OD1 3.49Å; N148-N151 PolarHBondContact O-OD1 2.79Å; N151-E153 HydrophobicContact CB-CG 4.35Å; N151-E153 WeakPolarHBondContact ND2-CG 2.97Å; N151-E153 PolarHBondContact ND2-OE1 2.9Å; N151-E153 PolarHBondContact ND2-OE2 3.22Å; N151-E153 PolarHBondContact O-N 2.79Å; N151-E153 WeakPolarHBondContact OD1-CB 3.37Å; N151-E153 PolarHBondContact OD1-N 2.53Å; N151-E153 VanDerWaalsContact OD1-N 3.11Å |
| 152 | G | 86.6 | Confident | 93.5 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 33% | 0.33 | 21% | 0.21 | S | C | . | . | trans | 74 | 6.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N148 Y154 | N148-G152 VanDerWaalsContact O-CA 3.24Å; N148-G152 WeakPolarHBondContact O-CA 3.4Å; N148-G152 PolarHBondContact O-N 3.12Å; G152-Y154 VanDerWaalsContact O-CD2 3.29Å; G152-Y154 WeakPolarHBondContact O-CD2 3.44Å; G152-Y154 VanDerWaalsContact O-CE2 3.25Å; G152-Y154 WeakPolarHBondContact O-CE2 3.23Å | ||
| 153 | E | 89.8 | Confident | 93.2 | Very high | 60 Ų | 60 | 46.4 Ų | 46.4 | 28% | 0.28 | 23% | 0.232 | S | C | . | . | trans | -74.5 | 148.4 | -177.4 | -71.1 | 179.5 | -180 | 0 | 0 | 112.2 | N148 N151 K155 Q172 | N148-E153 PolarHBondContact N-O 3.27Å; N151-E153 HydrophobicContact CB-CG 4.35Å; N151-E153 WeakPolarHBondContact ND2-CG 2.97Å; N151-E153 PolarHBondContact ND2-OE1 2.9Å; N151-E153 PolarHBondContact ND2-OE2 3.22Å; N151-E153 PolarHBondContact O-N 2.79Å; N151-E153 WeakPolarHBondContact OD1-CB 3.37Å; N151-E153 PolarHBondContact OD1-N 2.53Å; N151-E153 VanDerWaalsContact OD1-N 3.11Å; E153-K155 IonicContact OE2-NZ 3.84Å; E153-Q172 PolarHBondContact OE1-NE2 3.02Å; E153-Q172 PolarHBondContact OE2-NE2 3.42Å | ||
| 154 | Y | 94.7 | Very high | 92.8 | Very high | 37 Ų | 37 | 51 Ų | 51 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.9 | 174 | -65.8 | -97 | 0 | 0 | 0 | 109.7 | E145 I146 W147 G152 L173 K176 | E145-Y154 HydrophobicContact CG-CD1 4Å; I146-Y154 CarbonylContact O-C 3.43Å; I146-Y154 WeakPolarHBondContact O-CA 3.48Å; W147-Y154 HydrophobicContact CB-CD1 3.73Å; W147-Y154 HydrophobicContact CB-CE1 3.51Å; W147-Y154 AromaticContact CD1-CD1 3.98Å; W147-Y154 AromaticContact CD1-CE1 3.51Å; W147-Y154 AromaticContact CD1-CE2 3.66Å; W147-Y154 AromaticContact CD1-CZ 3.31Å; W147-Y154 HydrophobicContact CD2-CE1 4.33Å; W147-Y154 HydrophobicContact CG-CD1 4.07Å; W147-Y154 AromaticContact CG-CE1 3.5Å; W147-Y154 HydrophobicContact CG-CE1 3.5Å; W147-Y154 VanDerWaalsContact CG-CE1 3.5Å; W147-Y154 HydrophobicContact CG-CE2 4.45Å; W147-Y154 AromaticContact CG-CZ 3.71Å; W147-Y154 AromaticContact NE1-CZ 3.73Å; G152-Y154 VanDerWaalsContact O-CD2 3.29Å; G152-Y154 WeakPolarHBondContact O-CD2 3.44Å; G152-Y154 VanDerWaalsContact O-CE2 3.25Å; G152-Y154 WeakPolarHBondContact O-CE2 3.23Å; Y154-L173 PolarHBondContact N-O 2.88Å; Y154-L173 VanDerWaalsContact N-O 3.11Å; Y154-L173 PolarHBondContact O-N 3.42Å; Y154-K176 HydrophobicContact CD1-CB 4.36Å; Y154-K176 HydrophobicContact CE1-CB 3.83Å; Y154-K176 HydrophobicContact CE1-CG 4.37Å |
| 155 | K | 95.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 55.3 Ų | 55.3 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 132.2 | 176.7 | -69.7 | -179.8 | -175.4 | 171.3 | 0 | 111.2 | E145 I146 E153 Y157 I171 Q172 | E145-K155 CarbonylContact C-O 3.43Å; E145-K155 WeakPolarHBondContact CA-O 3.45Å; I146-K155 PolarHBondContact N-O 3.14Å; I146-K155 PolarHBondContact O-N 2.79Å; E153-K155 IonicContact OE2-NZ 3.84Å; K155-Y157 HydrophobicContact CB-CD2 4.23Å; K155-Y157 HydrophobicContact CB-CE2 3.52Å; K155-Y157 HydrophobicContact CD-CE2 4.49Å; K155-I171 CarbonylContact C-O 3.57Å; K155-I171 VanDerWaalsContact CA-O 3.26Å; K155-I171 WeakPolarHBondContact CA-O 3.49Å; K155-Q172 HydrophobicContact CG-CG 4.48Å |
| 156 | L | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 135.6 | 170.4 | -53.9 | -178.1 | 0 | 0 | 0 | 110.3 | Y144 E145 F158 C170 I171 L173 T177 M179 F190 | Y144-L156 WeakPolarHBondContact O-CA 3.17Å; E145-L156 HydrophobicContact CB-CD2 3.6Å; E145-L156 HydrophobicContact CG-CD2 3.84Å; L156-F158 HydrophobicContact CB-CE2 4.43Å; L156-C170 WeakPolarHBondContact O-CA 3.31Å; L156-I171 HydrophobicContact CB-CB 4.06Å; L156-I171 HydrophobicContact CD1-CB 4.39Å; L156-I171 HydrophobicContact CD1-CD1 4.12Å; L156-I171 HydrophobicContact CG-CB 4.38Å; L156-I171 PolarHBondContact N-O 3.39Å; L156-I171 PolarHBondContact O-N 3.49Å; L156-I171 VanDerWaalsContact O-N 3.1Å; L156-L173 HydrophobicContact CD1-CD1 4.1Å; L156-L173 HydrophobicContact CD2-CD1 4.15Å; L156-L173 HydrophobicContact CG-CD1 3.78Å; L156-T177 HydrophobicContact CD1-CG2 4.13Å; L156-T177 HydrophobicContact CD2-CG2 3.85Å; L156-T177 HydrophobicContact CG-CG2 4.39Å; L156-M179 HydrophobicContact CD2-CE 3.67Å; L156-M179 HydrophobicContact CD2-SD 4.05Å; L156-F190 HydrophobicContact CD1-CB 4.12Å; L156-F190 HydrophobicContact CD1-CG 4.3Å |
| 157 | Y | 96.4 | Very high | 92.5 | Very high | 61 Ų | 61 | 59.9 Ų | 59.9 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.1 | 178.1 | -72.1 | -84.5 | 0 | 0 | 0 | 110 | C143 Y144 I146 K155 | C143-Y157 CarbonylContact C-O 3.46Å; C143-Y157 VanDerWaalsContact CA-O 3.3Å; C143-Y157 WeakPolarHBondContact CA-O 3.35Å; Y144-Y157 HydrophobicContact CE2-CD2 4.15Å; Y144-Y157 HydrophobicContact CE2-CG 4.15Å; Y144-Y157 PolarHBondContact N-O 3.03Å; Y144-Y157 PolarHBondContact O-N 2.92Å; I146-Y157 HydrophobicContact CB-CD2 4.4Å; I146-Y157 HydrophobicContact CB-CE2 4.16Å; I146-Y157 HydrophobicContact CD1-CD2 3.68Å; I146-Y157 HydrophobicContact CD1-CE2 3.59Å; I146-Y157 HydrophobicContact CG1-CD2 4.11Å; I146-Y157 HydrophobicContact CG1-CE2 4.19Å; K155-Y157 HydrophobicContact CB-CD2 4.23Å; K155-Y157 HydrophobicContact CB-CE2 3.52Å; K155-Y157 HydrophobicContact CD-CE2 4.49Å |
| 158 | F | 97.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141.5 | -176.1 | -58 | -93.8 | 0 | 0 | 0 | 111.8 | L142 C143 L156 Q166 L167 D169 I171 W181 I188 H217 L219 | L142-F158 CarbonylContact O-C 3.59Å; L142-F158 VanDerWaalsContact O-CA 3.28Å; L142-F158 WeakPolarHBondContact O-CA 3.48Å; C143-F158 HydrophobicContact CB-CD1 3.82Å; C143-F158 HydrophobicContact CB-CE1 3.76Å; C143-F158 WeakPolarHBondContact SG-CE1 3.41Å; L156-F158 HydrophobicContact CB-CE2 4.43Å; F158-Q166 VanDerWaalsContact O-CD 3.26Å; F158-Q166 PolarHBondContact O-NE2 2.97Å; F158-Q166 PolarHBondContact O-OE1 3.27Å; F158-L167 HydrophobicContact CB-CB 4.07Å; F158-L167 HydrophobicContact CB-CD1 4.03Å; F158-L167 HydrophobicContact CB-CG 4.49Å; F158-L167 WeakPolarHBondContact O-CB 3.5Å; F158-L167 PolarHBondContact O-N 3.45Å; F158-D169 HydrophobicContact CD2-CB 3.6Å; F158-D169 HydrophobicContact CE2-CB 4.09Å; F158-D169 HydrophobicContact CG-CB 4.36Å; F158-I171 HydrophobicContact CE2-CD1 3.93Å; F158-I171 HydrophobicContact CE2-CG1 4.11Å; F158-I171 HydrophobicContact CZ-CD1 3.72Å; F158-I171 HydrophobicContact CZ-CG1 4.41Å; F158-W181 AromaticContact CD1-CH2 3.7Å; F158-W181 HydrophobicContact CD1-CH2 3.7Å; F158-W181 AromaticContact CD1-CZ2 3.85Å; F158-W181 HydrophobicContact CD1-CZ2 3.85Å; F158-W181 HydrophobicContact CE1-CH2 4.11Å; F158-W181 HydrophobicContact CE1-CZ2 4.24Å; F158-I188 HydrophobicContact CE1-CB 4.23Å; F158-I188 HydrophobicContact CE1-CD1 4.23Å; F158-I188 HydrophobicContact CE1-CG2 3.76Å; F158-I188 HydrophobicContact CZ-CG2 3.72Å; F158-H217 AromaticContact CZ-CD2 3.95Å; F158-L219 HydrophobicContact CB-CD1 3.92Å; F158-L219 HydrophobicContact CD1-CD1 3.84Å; F158-L219 HydrophobicContact CD2-CD1 4.48Å; F158-L219 HydrophobicContact CE1-CD1 4.47Å; F158-L219 HydrophobicContact CG-CD1 3.83Å |
| 159 | K | 95.9 | Very high | 92.8 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 11% | 0.113 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 133.7 | -179.2 | -171.2 | 176.8 | 177.2 | -176.9 | 0 | 110.7 | I116 Y141 L142 L161 D164 | I116-K159 PolarHBondContact O-NZ 3.46Å; Y141-K159 WeakPolarHBondContact CA-O 3.16Å; L142-K159 HydrophobicContact CB-CB 4.36Å; L142-K159 PolarHBondContact N-O 2.85Å; L142-K159 PolarHBondContact O-N 3.47Å; K159-L161 HydrophobicContact CB-CD2 4.4Å; K159-L161 HydrophobicContact CD-CD2 4.25Å; K159-L161 HydrophobicContact CG-CD2 4.18Å; K159-D164 WeakPolarHBondContact CE-OD1 3.34Å; K159-D164 IonicContact NZ-OD1 3.9Å; K159-D164 PolarHBondContact NZ-OD1 3.44Å; K159-D164 IonicContact NZ-OD2 3.34Å |
| 160 | D | 95.8 | Very high | 93.2 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 113.1 | 168 | -173.6 | -35.4 | 0 | 0 | 0 | 108.5 | K140 Y141 K162 T163 D164 I165 L167 | K140-D160 WeakPolarHBondContact CE-OD2 3.35Å; K140-D160 IonicContact NZ-OD2 2.89Å; Y141-D160 HydrophobicContact CD1-CB 4.28Å; Y141-D160 HydrophobicContact CE1-CB 4.16Å; D160-K162 VanDerWaalsContact C-N 3.29Å; D160-K162 PolarHBondContact O-N 3.02Å; D160-K162 WeakPolarHBondContact OD1-CA 3.42Å; D160-K162 VanDerWaalsContact OD1-CB 3.3Å; D160-K162 WeakPolarHBondContact OD1-CB 3.25Å; D160-K162 PolarHBondContact OD1-N 3.2Å; D160-T163 WeakPolarHBondContact CB-OG1 3.47Å; D160-T163 PolarHBondContact OD1-N 3.3Å; D160-D164 VanDerWaalsContact O-CA 3.24Å; D160-D164 WeakPolarHBondContact O-CA 3.16Å; D160-D164 PolarHBondContact O-N 3.23Å; D160-I165 PolarHBondContact N-O 3Å; D160-I165 PolarHBondContact O-N 2.8Å; D160-L167 HydrophobicContact CB-CD2 4.22Å |
| 161 | L | 94.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 12% | 0.12 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -15.3 | -174.9 | -56.7 | -170.4 | 0 | 0 | 0 | 113.2 | F90 I116 L135 K140 L142 K159 | F90-L161 HydrophobicContact CE1-CD1 3.68Å; F90-L161 HydrophobicContact CZ-CD1 3.98Å; I116-L161 HydrophobicContact CG2-CD1 4.14Å; I116-L161 HydrophobicContact CG2-CD2 3.26Å; I116-L161 HydrophobicContact CG2-CG 4.29Å; L135-L161 HydrophobicContact CD2-CD1 3.7Å; K140-L161 WeakPolarHBondContact O-CB 3.42Å; K140-L161 WeakPolarHBondContact O-CG 3.45Å; K140-L161 PolarHBondContact O-N 3.2Å; L142-L161 HydrophobicContact CB-CD1 4.15Å; L142-L161 HydrophobicContact CB-CD2 3.72Å; L142-L161 HydrophobicContact CB-CG 4.11Å; L142-L161 HydrophobicContact CD2-CD2 4.35Å; K159-L161 HydrophobicContact CB-CD2 4.4Å; K159-L161 HydrophobicContact CD-CD2 4.25Å; K159-L161 HydrophobicContact CG-CD2 4.18Å |
| 162 | K | 89.8 | Confident | 94.1 | Very high | 181 Ų | 181 | 53 Ų | 53 | 79% | 0.787 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -40.9 | 175.4 | -176.1 | -176.8 | 176.5 | -176.6 | 0 | 110.9 | D160 | D160-K162 VanDerWaalsContact C-N 3.29Å; D160-K162 PolarHBondContact O-N 3.02Å; D160-K162 WeakPolarHBondContact OD1-CA 3.42Å; D160-K162 VanDerWaalsContact OD1-CB 3.3Å; D160-K162 WeakPolarHBondContact OD1-CB 3.25Å; D160-K162 PolarHBondContact OD1-N 3.2Å |
| 163 | T | 91.3 | Very high | 94.4 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 45% | 0.454 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -11.5 | -179.8 | 58 | 0 | 0 | 0 | 0 | 113 | D160 I165 | D160-T163 WeakPolarHBondContact CB-OG1 3.47Å; D160-T163 PolarHBondContact OD1-N 3.3Å; T163-I165 PolarHBondContact O-N 2.91Å; T163-I165 WeakPolarHBondContact OG1-CB 3.49Å; T163-I165 PolarHBondContact OG1-N 3.09Å |
| 164 | D | 89.5 | Confident | 94.3 | Very high | 96 Ų | 96 | 54.3 Ų | 54.3 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 25.2 | -171.6 | -157.3 | 44.3 | 0 | 0 | 0 | 113.3 | K159 D160 | K159-D164 WeakPolarHBondContact CE-OD1 3.34Å; K159-D164 IonicContact NZ-OD1 3.9Å; K159-D164 PolarHBondContact NZ-OD1 3.44Å; K159-D164 IonicContact NZ-OD2 3.34Å; D160-D164 VanDerWaalsContact O-CA 3.24Å; D160-D164 WeakPolarHBondContact O-CA 3.16Å; D160-D164 PolarHBondContact O-N 3.23Å |
| 165 | I | 92.5 | Very high | 94 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 130 | -175.4 | -64.1 | 173.3 | 0 | 0 | 0 | 110.6 | D160 T163 L167 | D160-I165 PolarHBondContact N-O 3Å; D160-I165 PolarHBondContact O-N 2.8Å; T163-I165 PolarHBondContact O-N 2.91Å; T163-I165 WeakPolarHBondContact OG1-CB 3.49Å; T163-I165 PolarHBondContact OG1-N 3.09Å; I165-L167 PolarHBondContact O-N 3.11Å |
| 166 | Q | 94 | Very high | 93.7 | Very high | 76 Ų | 76 | 55 Ų | 55 | 36% | 0.355 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 123.4 | 166.5 | -176.1 | 59.1 | 35.2 | 0 | 0 | 109.8 | Y144 F158 | Y144-Q166 PolarHBondContact OH-OE1 3.16Å; F158-Q166 VanDerWaalsContact O-CD 3.26Å; F158-Q166 PolarHBondContact O-NE2 2.97Å; F158-Q166 PolarHBondContact O-OE1 3.27Å |
| 167 | L | 95.7 | Very high | 93.6 | Very high | 35 Ų | 35 | 55.6 Ų | 55.6 | 18% | 0.183 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 153 | 178.9 | -60.3 | 178.3 | 0 | 0 | 0 | 110.5 | Y141 F158 D160 I165 D169 L219 | Y141-L167 HydrophobicContact CD1-CD1 4.11Å; Y141-L167 HydrophobicContact CE1-CD1 4.21Å; F158-L167 HydrophobicContact CB-CB 4.07Å; F158-L167 HydrophobicContact CB-CD1 4.03Å; F158-L167 HydrophobicContact CB-CG 4.49Å; F158-L167 WeakPolarHBondContact O-CB 3.5Å; F158-L167 PolarHBondContact O-N 3.45Å; D160-L167 HydrophobicContact CB-CD2 4.22Å; I165-L167 PolarHBondContact O-N 3.11Å; L167-D169 VanDerWaalsContact C-N 3.26Å; L167-D169 PolarHBondContact O-N 3.09Å; L167-L219 HydrophobicContact CD1-CD1 3.87Å; L167-L219 HydrophobicContact CD1-CD2 3.91Å; L167-L219 HydrophobicContact CD1-CG 4.18Å |
| 168 | P | 95.3 | Very high | 93.5 | Very high | 91 Ų | 91 | 53.7 Ų | 53.7 | 59% | 0.591 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | -20 | -176.1 | 29.7 | -36 | 0 | 0 | 0 | 113.6 | I222 | P168-I222 HydrophobicContact CB-CD1 4.48Å |
| 169 | D | 96.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 133.6 | 177.8 | -56.2 | -107.7 | 0 | 0 | 0 | 111.5 | F158 L167 H217 L219 G220 E221 | F158-D169 HydrophobicContact CD2-CB 3.6Å; F158-D169 HydrophobicContact CE2-CB 4.09Å; F158-D169 HydrophobicContact CG-CB 4.36Å; L167-D169 VanDerWaalsContact C-N 3.26Å; L167-D169 PolarHBondContact O-N 3.09Å; D169-H217 IonicContact OD1-CE1 3.11Å; D169-H217 IonicContact OD1-NE2 2.66Å; D169-H217 PolarHBondContact OD1-NE2 2.86Å; D169-L219 HydrophobicContact CB-CD1 4.45Å; D169-G220 WeakPolarHBondContact OD1-CA 3.39Å; D169-G220 PolarHBondContact OD1-N 3.47Å; D169-G220 PolarHBondContact OD2-N 2.96Å; D169-E221 PolarHBondContact OD1-N 3.25Å |
| 170 | C | 95.4 | Very high | 93.4 | Very high | 47 Ų | 47 | 54 Ų | 54 | 32% | 0.318 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 128 | 178.3 | -178 | 0 | 0 | 0 | 0 | 108.9 | L156 | L156-C170 WeakPolarHBondContact O-CA 3.31Å |
| 171 | I | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.9 | 179.3 | -57.2 | 172.1 | 0 | 0 | 0 | 107.9 | K155 L156 F158 L173 I188 F190 H217 Q224 | K155-I171 CarbonylContact C-O 3.57Å; K155-I171 VanDerWaalsContact CA-O 3.26Å; K155-I171 WeakPolarHBondContact CA-O 3.49Å; L156-I171 HydrophobicContact CB-CB 4.06Å; L156-I171 HydrophobicContact CD1-CB 4.39Å; L156-I171 HydrophobicContact CD1-CD1 4.12Å; L156-I171 HydrophobicContact CG-CB 4.38Å; L156-I171 PolarHBondContact N-O 3.39Å; L156-I171 PolarHBondContact O-N 3.49Å; L156-I171 VanDerWaalsContact O-N 3.1Å; F158-I171 HydrophobicContact CE2-CD1 3.93Å; F158-I171 HydrophobicContact CE2-CG1 4.11Å; F158-I171 HydrophobicContact CZ-CD1 3.72Å; F158-I171 HydrophobicContact CZ-CG1 4.41Å; I171-L173 HydrophobicContact CG2-CD2 3.98Å; I171-L173 HydrophobicContact CG2-CG 4.24Å; I171-I188 HydrophobicContact CD1-CG2 4.32Å; I171-F190 HydrophobicContact CD1-CD1 4.09Å; I171-F190 HydrophobicContact CD1-CE1 3.84Å; I171-F190 HydrophobicContact CD1-CZ 4.17Å; I171-F190 HydrophobicContact CG2-CD2 4.23Å; I171-F190 HydrophobicContact CG2-CE1 4.37Å; I171-F190 HydrophobicContact CG2-CE2 3.59Å; I171-F190 HydrophobicContact CG2-CZ 3.65Å; I171-H217 HydrophobicContact CD1-CB 3.59Å; I171-Q224 HydrophobicContact CG2-CG 4.25Å |
| 172 | Q | 95.1 | Very high | 93.3 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136.6 | 176.6 | -170.1 | 171.1 | -4.9 | 0 | 0 | 110.9 | E153 K155 Q224 | E153-Q172 PolarHBondContact OE1-NE2 3.02Å; E153-Q172 PolarHBondContact OE2-NE2 3.42Å; K155-Q172 HydrophobicContact CG-CG 4.48Å; Q172-Q224 PolarHBondContact O-NE2 3.2Å |
| 173 | L | 93.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 149 | -172.6 | -60.2 | 170.9 | 0 | 0 | 0 | 110.9 | Y154 L156 I171 T177 F190 N192 | Y154-L173 PolarHBondContact N-O 2.88Å; Y154-L173 VanDerWaalsContact N-O 3.11Å; Y154-L173 PolarHBondContact O-N 3.42Å; L156-L173 HydrophobicContact CD1-CD1 4.1Å; L156-L173 HydrophobicContact CD2-CD1 4.15Å; L156-L173 HydrophobicContact CG-CD1 3.78Å; I171-L173 HydrophobicContact CG2-CD2 3.98Å; I171-L173 HydrophobicContact CG2-CG 4.24Å; L173-T177 HydrophobicContact CD1-CG2 3.59Å; L173-F190 HydrophobicContact CD2-CD2 3.73Å; L173-F190 HydrophobicContact CD2-CE2 3.66Å; L173-N192 HydrophobicContact CD2-CB 4.14Å |
| 174 | L | 87.1 | Confident | 93.2 | Very high | 118 Ų | 118 | 45.5 Ų | 45.5 | 62% | 0.618 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -89.6 | -15.1 | 178.4 | -62.8 | -179.8 | 0 | 0 | 0 | 113.3 | ||
| 175 | N | 88.5 | Confident | 93.3 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -148.4 | 165.9 | -176 | 69.5 | -61.8 | 0 | 0 | 0 | 110.7 | T177 C193 N239 | N175-T177 PolarHBondContact O-N 3.02Å; N175-C193 PolarHBondContact OD1-SG 2.85Å; N175-N239 PolarHBondContact ND2-OD1 3.47Å |
| 176 | K | 89.7 | Confident | 93.3 | Very high | 103 Ų | 103 | 42.2 Ų | 42.2 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | trans | -59.1 | 135.5 | 173.3 | -176.2 | 178.7 | -178.4 | 178.7 | 0 | 110.4 | E145 Y154 N239 | E145-K176 WeakPolarHBondContact OE1-CA 3.45Å; Y154-K176 HydrophobicContact CD1-CB 4.36Å; Y154-K176 HydrophobicContact CE1-CB 3.83Å; Y154-K176 HydrophobicContact CE1-CG 4.37Å; K176-N239 PolarHBondContact O-OD1 3.39Å | ||
| 177 | T | 93.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | trans | -110.8 | 155.7 | -177.4 | -163.9 | 0 | 0 | 0 | 0 | 114.5 | E145 L156 L173 N175 M179 I191 | E145-T177 PolarHBondContact OE1-N 2.79Å; L156-T177 HydrophobicContact CD1-CG2 4.13Å; L156-T177 HydrophobicContact CD2-CG2 3.85Å; L156-T177 HydrophobicContact CG-CG2 4.39Å; L173-T177 HydrophobicContact CD1-CG2 3.59Å; N175-T177 PolarHBondContact O-N 3.02Å; T177-M179 HydrophobicContact CG2-CB 4.42Å; T177-M179 HydrophobicContact CG2-CE 4.12Å; T177-I191 WeakPolarHBondContact CB-O 3.46Å; T177-I191 WeakPolarHBondContact OG1-CA 3.45Å; T177-I191 PolarHBondContact OG1-N 3.34Å; T177-I191 PolarHBondContact OG1-O 2.91Å | ||
| 178 | S | 94.8 | Very high | 93.3 | Very high | 22 Ų | 22 | 37 Ų | 37 | 15% | 0.154 | 20% | 0.196 | C | C | . | . | trans | -92.6 | 133.7 | 157 | -173.9 | 0 | 0 | 0 | 0 | 108 | F190 I191 C243 | S178-F190 VanDerWaalsContact O-CA 3.32Å; S178-F190 WeakPolarHBondContact O-CA 3.34Å; S178-I191 PolarHBondContact O-N 3.3Å; S178-C243 PolarHBondContact OG-N 3.4Å; S178-C243 VanDerWaalsContact OG-N 3.13Å; S178-C243 PolarHBondContact OG-O 2.72Å | ||
| 179 | M | 96 | Very high | 93.4 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.4 | -178.2 | 77.3 | -169.3 | 87.7 | 0 | 0 | 111.8 | A132 N134 C143 E145 L156 T177 I188 Y189 F190 | A132-M179 HydrophobicContact CB-CE 3.76Å; N134-M179 HydrophobicContact CB-CG 3.78Å; N134-M179 HydrophobicContact CB-SD 4.27Å; N134-M179 PolarHBondContact ND2-O 3.42Å; C143-M179 HydrophobicContact CB-SD 4.09Å; E145-M179 HydrophobicContact CB-CE 3.85Å; L156-M179 HydrophobicContact CD2-CE 3.67Å; L156-M179 HydrophobicContact CD2-SD 4.05Å; T177-M179 HydrophobicContact CG2-CB 4.42Å; T177-M179 HydrophobicContact CG2-CE 4.12Å; M179-I188 HydrophobicContact CB-CD1 3.77Å; M179-I188 HydrophobicContact CB-CG1 4.28Å; M179-I188 HydrophobicContact CG-CD1 3.9Å; M179-I188 HydrophobicContact SD-CD1 4.15Å; M179-Y189 CarbonylContact C-O 3.49Å; M179-Y189 WeakPolarHBondContact CA-O 3.24Å; M179-F190 HydrophobicContact CB-CB 4.34Å |
| 180 | T | 95.9 | Very high | 93.4 | Very high | 20 Ų | 20 | 32.6 Ų | 32.6 | 12% | 0.123 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 136.4 | 175.9 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | I188 Y189 L245 | T180-I188 VanDerWaalsContact O-CG1 3.24Å; T180-I188 WeakPolarHBondContact O-CG1 3.5Å; T180-Y189 HydrophobicContact CG2-CD2 4.38Å; T180-Y189 PolarHBondContact N-O 3.08Å; T180-Y189 PolarHBondContact O-N 2.99Å; T180-L245 HydrophobicContact CG2-CG 4.05Å |
| 181 | W | 95.2 | Very high | 93.4 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 3% | 0.03 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 149.4 | 177.4 | -76.2 | 93.7 | 0 | 0 | 0 | 111.6 | N134 S136 Y141 C143 F158 L219 L245 | N134-W181 PolarHBondContact O-NE1 3.31Å; N134-W181 VanDerWaalsContact O-NE1 3.08Å; S136-W181 VanDerWaalsContact N-CD1 3.28Å; Y141-W181 VanDerWaalsContact CB-CH2 3.41Å; Y141-W181 HydrophobicContact CD2-CZ3 4.48Å; Y141-W181 HydrophobicContact CG-CH2 4.12Å; Y141-W181 HydrophobicContact CG-CZ3 4.46Å; C143-W181 HydrophobicContact CB-CZ2 3.83Å; F158-W181 AromaticContact CD1-CH2 3.7Å; F158-W181 HydrophobicContact CD1-CH2 3.7Å; F158-W181 AromaticContact CD1-CZ2 3.85Å; F158-W181 HydrophobicContact CD1-CZ2 3.85Å; F158-W181 HydrophobicContact CE1-CH2 4.11Å; F158-W181 HydrophobicContact CE1-CZ2 4.24Å; W181-L219 HydrophobicContact CH2-CD1 4.35Å; W181-L219 HydrophobicContact CH2-CD2 4.24Å; W181-L219 HydrophobicContact CZ3-CD2 4.3Å; W181-L245 VanDerWaalsContact O-CD1 3.22Å; W181-L245 WeakPolarHBondContact O-CD1 3.28Å |
| 182 | S | 93.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | trans | -71.5 | 147.6 | 164.1 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | D184 N185 Q186 G187 H273 | S182-D184 VanDerWaalsContact CB-OD1 3.25Å; S182-D184 WeakPolarHBondContact CB-OD1 3.22Å; S182-D184 PolarHBondContact O-N 3.45Å; S182-D184 PolarHBondContact OG-OD1 3.28Å; S182-N185 WeakPolarHBondContact O-CA 3.39Å; S182-N185 PolarHBondContact O-N 3.17Å; S182-Q186 PolarHBondContact OG-N 3.37Å; S182-G187 PolarHBondContact N-O 3.01Å; S182-G187 PolarHBondContact OG-N 3.17Å; S182-G187 PolarHBondContact OG-O 3.5Å; S182-G187 VanDerWaalsContact OG-O 3.14Å; S182-H273 WeakPolarHBondContact CB-NE2 3.31Å | ||
| 183 | N | 88.4 | Confident | 93.1 | Very high | 45 Ų | 45 | 27.1 Ų | 27.1 | 24% | 0.241 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.8 | -178.4 | -81.2 | 34.4 | 0 | 0 | 0 | 114.1 | N185 T248 G249 | N183-N185 PolarHBondContact O-N 3.26Å; N183-N185 PolarHBondContact O-ND2 3.09Å; N183-T248 PolarHBondContact ND2-O 3.37Å; N183-G249 WeakPolarHBondContact ND2-CA 3.38Å; N183-G249 PolarHBondContact ND2-N 3.45Å; N183-G249 WeakPolarHBondContact OD1-CA 3.43Å |
| 184 | D | 89.6 | Confident | 92.9 | Very high | 63 Ų | 63 | 32 Ų | 32 | 34% | 0.337 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -2.9 | 172.4 | 65.3 | 3.6 | 0 | 0 | 0 | 113.1 | S182 Q186 H273 | S182-D184 VanDerWaalsContact CB-OD1 3.25Å; S182-D184 WeakPolarHBondContact CB-OD1 3.22Å; S182-D184 PolarHBondContact O-N 3.45Å; S182-D184 PolarHBondContact OG-OD1 3.28Å; D184-Q186 HydrophobicContact CB-CG 4.09Å; D184-Q186 PolarHBondContact O-N 3.1Å; D184-Q186 PolarHBondContact O-NE2 3.43Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.29Å; D184-Q186 PolarHBondContact OD1-N 2.92Å; D184-H273 IonicContact OD2-CG 3.89Å; D184-H273 IonicContact OD2-ND1 3.35Å; D184-H273 PolarHBondContact OD2-ND1 3.44Å |
| 185 | N | 91.4 | Very high | 92.7 | Very high | 26 Ų | 26 | 28.7 Ų | 28.7 | 14% | 0.139 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 57.6 | 25.2 | -177.9 | -46.4 | -91.7 | 0 | 0 | 0 | 113.6 | S136 D137 C138 Y141 S182 N183 | S136-N185 WeakPolarHBondContact CB-OD1 3.23Å; S136-N185 PolarHBondContact OG-OD1 3.12Å; D137-N185 PolarHBondContact N-OD1 3.38Å; C138-N185 PolarHBondContact N-OD1 3.33Å; C138-N185 PolarHBondContact SG-OD1 3.1Å; Y141-N185 HydrophobicContact CD2-CB 4.37Å; S182-N185 WeakPolarHBondContact O-CA 3.39Å; S182-N185 PolarHBondContact O-N 3.17Å; N183-N185 PolarHBondContact O-N 3.26Å; N183-N185 PolarHBondContact O-ND2 3.09Å |
| 186 | Q | 92.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 30.9 Ų | 30.9 | 46% | 0.463 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -93.2 | -10.7 | -178.9 | -62.5 | -58.7 | -55.2 | 0 | 0 | 113.8 | S182 D184 L219 | S182-Q186 PolarHBondContact OG-N 3.37Å; D184-Q186 HydrophobicContact CB-CG 4.09Å; D184-Q186 PolarHBondContact O-N 3.1Å; D184-Q186 PolarHBondContact O-NE2 3.43Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.29Å; D184-Q186 PolarHBondContact OD1-N 2.92Å; Q186-L219 PolarHBondContact O-N 3.41Å |
| 187 | G | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | -177 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S182 Y216 H217 | S182-G187 PolarHBondContact N-O 3.01Å; S182-G187 PolarHBondContact OG-N 3.17Å; S182-G187 PolarHBondContact OG-O 3.5Å; S182-G187 VanDerWaalsContact OG-O 3.14Å; G187-Y216 WeakPolarHBondContact CA-OH 3.26Å; G187-Y216 PolarHBondContact N-OH 3.48Å; G187-H217 CarbonylContact C-O 3.58Å; G187-H217 WeakPolarHBondContact CA-O 3.45Å |
| 188 | I | 96.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 138.3 | -177.8 | -157.8 | 169.8 | 0 | 0 | 0 | 110.3 | C143 F158 I171 M179 T180 F190 Y216 H217 | C143-I188 HydrophobicContact CB-CD1 3.44Å; C143-I188 VanDerWaalsContact CB-CD1 3.44Å; C143-I188 WeakPolarHBondContact SG-CD1 3.26Å; F158-I188 HydrophobicContact CE1-CB 4.23Å; F158-I188 HydrophobicContact CE1-CD1 4.23Å; F158-I188 HydrophobicContact CE1-CG2 3.76Å; F158-I188 HydrophobicContact CZ-CG2 3.72Å; I171-I188 HydrophobicContact CD1-CG2 4.32Å; M179-I188 HydrophobicContact CB-CD1 3.77Å; M179-I188 HydrophobicContact CB-CG1 4.28Å; M179-I188 HydrophobicContact CG-CD1 3.9Å; M179-I188 HydrophobicContact SD-CD1 4.15Å; T180-I188 VanDerWaalsContact O-CG1 3.24Å; T180-I188 WeakPolarHBondContact O-CG1 3.5Å; I188-F190 HydrophobicContact CG2-CD1 4.28Å; I188-Y216 WeakPolarHBondContact O-CA 3.32Å; I188-H217 HydrophobicContact CG2-CB 4.12Å; I188-H217 PolarHBondContact N-O 3.3Å; I188-H217 PolarHBondContact O-N 3.25Å |
| 189 | Y | 96.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 133.3 | 164.4 | -65.2 | -83.3 | 0 | 0 | 0 | 108.7 | M179 T180 I214 N215 Y216 V230 L245 I252 I271 H273 L278 | M179-Y189 CarbonylContact C-O 3.49Å; M179-Y189 WeakPolarHBondContact CA-O 3.24Å; T180-Y189 HydrophobicContact CG2-CD2 4.38Å; T180-Y189 PolarHBondContact N-O 3.08Å; T180-Y189 PolarHBondContact O-N 2.99Å; Y189-I214 HydrophobicContact CD1-CG2 4.33Å; Y189-N215 CarbonylContact C-O 3.53Å; Y189-N215 VanDerWaalsContact CA-O 3.28Å; Y189-N215 WeakPolarHBondContact CA-O 3.43Å; Y189-Y216 AromaticContact CD1-CD2 3.93Å; Y189-Y216 HydrophobicContact CD1-CD2 3.93Å; Y189-Y216 HydrophobicContact CD1-CG 4.47Å; Y189-Y216 HydrophobicContact CD2-CD2 4.1Å; Y189-Y216 AromaticContact CE1-CD2 3.56Å; Y189-Y216 HydrophobicContact CE1-CD2 3.56Å; Y189-Y216 HydrophobicContact CE1-CG 4.02Å; Y189-Y216 AromaticContact CE2-CD2 3.72Å; Y189-Y216 HydrophobicContact CE2-CD2 3.72Å; Y189-Y216 AromaticContact CE2-CE2 3.98Å; Y189-Y216 HydrophobicContact CE2-CE2 3.98Å; Y189-Y216 HydrophobicContact CG-CD2 4.18Å; Y189-Y216 AromaticContact CZ-CD2 3.41Å; Y189-Y216 VanDerWaalsContact CZ-CD2 3.41Å; Y189-Y216 AromaticContact CZ-CE2 3.95Å; Y189-V230 HydrophobicContact CD1-CG2 4.13Å; Y189-V230 HydrophobicContact CE1-CG1 4.17Å; Y189-V230 HydrophobicContact CE1-CG2 4.24Å; Y189-L245 HydrophobicContact CD2-CD1 4.34Å; Y189-L245 HydrophobicContact CD2-CD2 4.24Å; Y189-L245 HydrophobicContact CE2-CD1 4.22Å; Y189-L245 HydrophobicContact CE2-CD2 4.28Å; Y189-I252 HydrophobicContact CD1-CD1 3.97Å; Y189-I252 HydrophobicContact CG-CD1 4.06Å; Y189-I271 HydrophobicContact CD1-CD1 4.43Å; Y189-I271 HydrophobicContact CE1-CD1 3.64Å; Y189-I271 HydrophobicContact CE2-CD1 4.11Å; Y189-I271 VanDerWaalsContact CZ-CD1 3.47Å; Y189-I271 WeakPolarHBondContact OH-CD1 3.32Å; Y189-I271 WeakPolarHBondContact OH-CG2 3.38Å; Y189-H273 AromaticContact CE2-NE2 3.65Å; Y189-H273 AromaticContact CZ-NE2 3.6Å; Y189-H273 PolarHBondContact OH-CE1 3.21Å; Y189-H273 PolarHBondContact OH-NE2 2.98Å; Y189-L278 HydrophobicContact CE1-CD2 4.44Å; Y189-L278 VanDerWaalsContact OH-CD1 3.23Å; Y189-L278 WeakPolarHBondContact OH-CD1 3.1Å |
| 190 | F | 97 | Very high | 85.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 156.6 | 177.1 | 68.3 | -79.5 | 0 | 0 | 0 | 111.1 | L156 I171 L173 S178 M179 I188 N192 I214 N215 H217 D227 | L156-F190 HydrophobicContact CD1-CB 4.12Å; L156-F190 HydrophobicContact CD1-CG 4.3Å; I171-F190 HydrophobicContact CD1-CD1 4.09Å; I171-F190 HydrophobicContact CD1-CE1 3.84Å; I171-F190 HydrophobicContact CD1-CZ 4.17Å; I171-F190 HydrophobicContact CG2-CD2 4.23Å; I171-F190 HydrophobicContact CG2-CE1 4.37Å; I171-F190 HydrophobicContact CG2-CE2 3.59Å; I171-F190 HydrophobicContact CG2-CZ 3.65Å; L173-F190 HydrophobicContact CD2-CD2 3.73Å; L173-F190 HydrophobicContact CD2-CE2 3.66Å; S178-F190 VanDerWaalsContact O-CA 3.32Å; S178-F190 WeakPolarHBondContact O-CA 3.34Å; M179-F190 HydrophobicContact CB-CB 4.34Å; I188-F190 HydrophobicContact CG2-CD1 4.28Å; F190-N192 HydrophobicContact CD2-CB 4.48Å; F190-N192 HydrophobicContact CE2-CB 4.09Å; F190-I214 WeakPolarHBondContact O-CA 3.45Å; F190-N215 HydrophobicContact CD1-CB 4.21Å; F190-N215 HydrophobicContact CE1-CB 3.58Å; F190-N215 HydrophobicContact CE2-CB 4.05Å; F190-N215 HydrophobicContact CZ-CB 3.52Å; F190-N215 PolarHBondContact N-O 3.25Å; F190-N215 PolarHBondContact O-N 3.48Å; F190-H217 HydrophobicContact CD1-CB 4.3Å; F190-H217 HydrophobicContact CE1-CB 3.74Å; F190-D227 WeakPolarHBondContact CZ-OD2 3.28Å |
| 191 | I | 95.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 135 | 175.9 | -60.5 | 179.9 | 0 | 0 | 0 | 109.5 | T177 S178 V212 T213 I214 M241 | T177-I191 WeakPolarHBondContact CB-O 3.46Å; T177-I191 WeakPolarHBondContact OG1-CA 3.45Å; T177-I191 PolarHBondContact OG1-N 3.34Å; T177-I191 PolarHBondContact OG1-O 2.91Å; S178-I191 PolarHBondContact O-N 3.3Å; I191-V212 HydrophobicContact CG2-CG1 3.6Å; I191-T213 CarbonylContact C-O 3.59Å; I191-T213 WeakPolarHBondContact CA-O 3.28Å; I191-I214 HydrophobicContact CG1-CG1 4.48Å; I191-M241 HydrophobicContact CB-CE 4.13Å; I191-M241 VanDerWaalsContact CD1-C 3.44Å; I191-M241 HydrophobicContact CD1-CB 3.89Å; I191-M241 HydrophobicContact CD1-CE 3.61Å; I191-M241 HydrophobicContact CD1-CG 3.66Å; I191-M241 WeakPolarHBondContact CD1-O 3.42Å; I191-M241 HydrophobicContact CD1-SD 4.48Å; I191-M241 HydrophobicContact CG1-CE 3.66Å; I191-M241 HydrophobicContact CG2-CE 3.48Å; I191-M241 VanDerWaalsContact CG2-CE 3.48Å |
| 192 | N | 94.5 | Very high | 82 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 165.2 | 169.3 | -163.7 | 10.5 | 0 | 0 | 0 | 109.4 | L173 F190 V212 T213 N215 | L173-N192 HydrophobicContact CD2-CB 4.14Å; F190-N192 HydrophobicContact CD2-CB 4.48Å; F190-N192 HydrophobicContact CE2-CB 4.09Å; N192-V212 CarbonylContact O-C 3.46Å; N192-V212 WeakPolarHBondContact O-CA 3.09Å; N192-V212 WeakPolarHBondContact O-CG1 3.49Å; N192-T213 PolarHBondContact N-O 2.95Å; N192-T213 PolarHBondContact O-N 2.98Å; N192-N215 WeakPolarHBondContact CB-ND2 3.39Å |
| 193 | C | 92.3 | Very high | 80.1 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 153.5 | 173.1 | 77.5 | 0 | 0 | 0 | 0 | 111.6 | N175 Y210 M211 V212 P238 | N175-C193 PolarHBondContact OD1-SG 2.85Å; C193-Y210 HydrophobicContact CB-CD1 4.29Å; C193-M211 WeakPolarHBondContact CA-O 3.22Å; C193-V212 HydrophobicContact CB-CG2 4.35Å; C193-P238 HydrophobicContact CB-CB 3.86Å; C193-P238 HydrophobicContact CB-CG 3.8Å |
| 194 | M | 88.9 | Confident | 78.4 | Confident | 105 Ų | 105 | 58.9 Ų | 58.9 | 52% | 0.517 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 135.7 | 169 | -70.3 | 174.1 | -105 | 0 | 0 | 108.4 | T196 Y210 M211 | M194-T196 PolarHBondContact O-N 2.86Å; M194-Y210 CarbonylContact O-C 3.57Å; M194-Y210 VanDerWaalsContact O-CA 3.31Å; M194-Y210 WeakPolarHBondContact O-CA 3.19Å; M194-M211 PolarHBondContact N-O 3.23Å; M194-M211 PolarHBondContact O-N 3.49Å |
| 195 | A | 82.9 | Confident | 76.5 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 135.7 | 174 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y210 | A195-Y210 HydrophobicContact CB-CD1 4.36Å; A195-Y210 HydrophobicContact CB-CE1 4.35Å |
| 196 | T | 77.6 | Confident | 74.8 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 37% | 0.368 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -86.9 | -23 | -179 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | M194 N209 M211 | M194-T196 PolarHBondContact O-N 2.86Å; T196-N209 PolarHBondContact N-O 3.35Å; T196-N209 PolarHBondContact OG1-O 2.89Å; T196-M211 HydrophobicContact CG2-CB 3.88Å |
| 197 | N | 68.4 | Low | 73.3 | Confident | 79 Ų | 79 | 65.3 Ų | 65.3 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -110.9 | 135.6 | -174.6 | -59.4 | 9.8 | 0 | 0 | 0 | 109.7 | I199 | N197-I199 PolarHBondContact O-N 2.89Š|
| 198 | S | 59.3 | Low | 72.2 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 59% | 0.594 | 38% | 0.379 | S | S | * | . | trans | -69.1 | 127.3 | 164.9 | 52.1 | 0 | 0 | 0 | 0 | 108.3 | D200 | S198-D200 PolarHBondContact O-N 3.3Å; S198-D200 PolarHBondContact OG-OD2 3.23Å | ||
| 199 | I | 55 | Low | 71.7 | Confident | 106 Ų | 106 | 70.5 Ų | 70.5 | 54% | 0.544 | 39% | 0.393 | S | S | . | . | trans | -75.7 | 77.1 | 175.3 | -54.8 | 164.5 | 0 | 0 | 0 | 107.1 | N197 | N197-I199 PolarHBondContact O-N 2.89Š| ||
| 200 | D | 57 | Low | 71.3 | Confident | 141 Ų | 141 | 73 Ų | 73 | 75% | 0.754 | 40% | 0.403 | S | S | * | . | trans | -91.5 | -23.7 | 170 | -68.4 | -49.4 | 0 | 0 | 0 | 111.1 | S198 | S198-D200 PolarHBondContact O-N 3.3Å; S198-D200 PolarHBondContact OG-OD2 3.23Å | ||
| 201 | D | 55.1 | Low | 71.2 | Confident | 83 Ų | 83 | 75.8 Ų | 75.8 | 44% | 0.444 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -116.7 | 123.5 | 177.1 | -161.1 | -36.6 | 0 | 0 | 0 | 111.5 | M203 D204 | D201-M203 PolarHBondContact O-N 3.08Å; D201-M203 VanDerWaalsContact O-N 3.16Å; D201-M203 PolarHBondContact OD1-N 3.21Å; D201-D204 HydrophobicContact CB-CB 4.44Å; D201-D204 PolarHBondContact O-N 3.07Å |
| 202 | P | 55.8 | Low | 71.1 | Confident | 103 Ų | 103 | 75.7 Ų | 75.7 | 67% | 0.669 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.7 | 175.6 | 21.8 | -31.6 | 0 | 0 | 0 | 113.8 | S205 | P202-S205 WeakPolarHBondContact O-CB 3.45Å; P202-S205 PolarHBondContact O-N 3.31Å; P202-S205 PolarHBondContact O-OG 2.78Å |
| 203 | M | 54.3 | Low | 71.2 | Confident | 131 Ų | 131 | 75 Ų | 75 | 65% | 0.645 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -32.7 | 174.5 | -164 | 67.7 | 80 | 0 | 0 | 112.3 | D201 S205 L206 | D201-M203 PolarHBondContact O-N 3.08Å; D201-M203 VanDerWaalsContact O-N 3.16Å; D201-M203 PolarHBondContact OD1-N 3.21Å; M203-S205 PolarHBondContact O-N 2.79Å; M203-L206 PolarHBondContact O-N 2.68Å; M203-L206 HydrophobicContact SD-CD1 4.06Å |
| 204 | D | 53 | Low | 71.3 | Confident | 83 Ų | 83 | 75 Ų | 75 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -70.5 | -16.7 | 177.1 | -79.3 | -16.9 | 0 | 0 | 0 | 112.7 | D201 L206 I207 | D201-D204 HydrophobicContact CB-CB 4.44Å; D201-D204 PolarHBondContact O-N 3.07Å; D204-L206 PolarHBondContact O-N 2.84Å; D204-L206 VanDerWaalsContact O-N 3.14Å; D204-I207 CarbonylContact O-C 3.57Å; D204-I207 PolarHBondContact O-N 3.16Å |
| 205 | S | 49.4 | Very low | 71.7 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 42% | 0.42 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -60.1 | -22 | 173.5 | 73.9 | 0 | 0 | 0 | 0 | 113.5 | P202 M203 | P202-S205 WeakPolarHBondContact O-CB 3.45Å; P202-S205 PolarHBondContact O-N 3.31Å; P202-S205 PolarHBondContact O-OG 2.78Å; M203-S205 PolarHBondContact O-N 2.79Å |
| 206 | L | 54.4 | Low | 72.3 | Confident | 139 Ų | 139 | 69.3 Ų | 69.3 | 73% | 0.728 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -79.3 | -17.8 | 177.7 | -68 | 167.5 | 0 | 0 | 0 | 113.2 | M203 D204 | M203-L206 PolarHBondContact O-N 2.68Å; M203-L206 HydrophobicContact SD-CD1 4.06Å; D204-L206 PolarHBondContact O-N 2.84Å; D204-L206 VanDerWaalsContact O-N 3.14Å |
| 207 | I | 62.3 | Low | 73.1 | Confident | 123 Ų | 123 | 66.5 Ų | 66.5 | 63% | 0.631 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -126.4 | 56.2 | -179.2 | -45.2 | 177.3 | 0 | 0 | 0 | 108.4 | D204 N209 | D204-I207 CarbonylContact O-C 3.57Å; D204-I207 PolarHBondContact O-N 3.16Å; I207-N209 PolarHBondContact O-N 3.22Å |
| 208 | Q | 71.1 | Confident | 74.4 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | trans | -76.6 | 114.6 | 176.7 | -165.4 | 163.4 | 12 | 0 | 0 | 109.8 | Y210 | Q208-Y210 HydrophobicContact CB-CE2 4.18Å; Q208-Y210 HydrophobicContact CG-CE1 4.21Å; Q208-Y210 HydrophobicContact CG-CE2 3.89Å; Q208-Y210 PolarHBondContact OE1-OH 2.64Å; Q208-Y210 VanDerWaalsContact OE1-OH 3.11Å | ||
| 209 | N | 84.7 | Confident | 76.1 | Confident | 55 Ų | 55 | 66.1 Ų | 66.1 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | trans | -94.9 | 149.3 | 168.9 | -81.2 | -12.7 | 0 | 0 | 0 | 110.6 | T196 I207 | T196-N209 PolarHBondContact N-O 3.35Å; T196-N209 PolarHBondContact OG1-O 2.89Å; I207-N209 PolarHBondContact O-N 3.22Å | ||
| 210 | Y | 89 | Confident | 78 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 20% | 0.2 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 137.2 | 179 | -59.6 | -93 | 0 | 0 | 0 | 109.9 | C193 M194 A195 Q208 V212 E234 M235 S236 P238 | C193-Y210 HydrophobicContact CB-CD1 4.29Å; M194-Y210 CarbonylContact O-C 3.57Å; M194-Y210 VanDerWaalsContact O-CA 3.31Å; M194-Y210 WeakPolarHBondContact O-CA 3.19Å; A195-Y210 HydrophobicContact CB-CD1 4.36Å; A195-Y210 HydrophobicContact CB-CE1 4.35Å; Q208-Y210 HydrophobicContact CB-CE2 4.18Å; Q208-Y210 HydrophobicContact CG-CE1 4.21Å; Q208-Y210 HydrophobicContact CG-CE2 3.89Å; Q208-Y210 PolarHBondContact OE1-OH 2.64Å; Q208-Y210 VanDerWaalsContact OE1-OH 3.11Å; Y210-V212 PolarHBondContact O-N 3.46Å; Y210-E234 WeakPolarHBondContact O-CA 3.39Å; Y210-M235 WeakPolarHBondContact CB-O 3.18Å; Y210-M235 PolarHBondContact N-O 3.32Å; Y210-M235 PolarHBondContact O-N 3.4Å; Y210-S236 WeakPolarHBondContact CE2-O 3.3Å; Y210-P238 HydrophobicContact CD1-CG 4.04Å; Y210-P238 HydrophobicContact CD2-CG 3.56Å; Y210-P238 HydrophobicContact CE2-CG 4.18Å; Y210-P238 HydrophobicContact CG-CG 3.47Å; Y210-P238 VanDerWaalsContact CG-CG 3.47Å |
| 211 | M | 93.8 | Very high | 79.7 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 30% | 0.296 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 107 | 160.2 | -179 | 57.9 | 117.7 | 0 | 0 | 106.8 | C193 M194 T196 T213 E234 | C193-M211 WeakPolarHBondContact CA-O 3.22Å; M194-M211 PolarHBondContact N-O 3.23Å; M194-M211 PolarHBondContact O-N 3.49Å; T196-M211 HydrophobicContact CG2-CB 3.88Å; M211-T213 HydrophobicContact CG-CG2 4.36Å; M211-E234 HydrophobicContact SD-CG 4.19Å |
| 212 | V | 94.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.1 | -179.3 | -165 | 0 | 0 | 0 | 0 | 108.5 | I191 N192 C193 Y210 S232 C233 M235 P238 M241 | I191-V212 HydrophobicContact CG2-CG1 3.6Å; N192-V212 CarbonylContact O-C 3.46Å; N192-V212 WeakPolarHBondContact O-CA 3.09Å; N192-V212 WeakPolarHBondContact O-CG1 3.49Å; C193-V212 HydrophobicContact CB-CG2 4.35Å; Y210-V212 PolarHBondContact O-N 3.46Å; V212-S232 CarbonylContact O-C 3.58Å; V212-S232 VanDerWaalsContact O-CA 3.23Å; V212-S232 WeakPolarHBondContact O-CA 3.3Å; V212-C233 PolarHBondContact N-O 2.99Å; V212-C233 PolarHBondContact O-N 2.86Å; V212-M235 HydrophobicContact CG2-CB 3.88Å; V212-M235 HydrophobicContact CG2-CG 4.18Å; V212-M235 HydrophobicContact CG2-SD 4.35Å; V212-P238 HydrophobicContact CG1-CB 4.31Å; V212-P238 HydrophobicContact CG2-CB 3.93Å; V212-P238 HydrophobicContact CG2-CG 3.98Å; V212-M241 HydrophobicContact CB-CE 4.27Å; V212-M241 HydrophobicContact CG1-CE 3.34Å; V212-M241 HydrophobicContact CG1-SD 4.35Å |
| 213 | T | 95.4 | Very high | 83.3 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 4% | 0.043 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 144.3 | -177.3 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | I191 N192 M211 N215 V229 W231 | I191-T213 CarbonylContact C-O 3.59Å; I191-T213 WeakPolarHBondContact CA-O 3.28Å; N192-T213 PolarHBondContact N-O 2.95Å; N192-T213 PolarHBondContact O-N 2.98Å; M211-T213 HydrophobicContact CG-CG2 4.36Å; T213-N215 PolarHBondContact OG1-ND2 2.98Å; T213-N215 PolarHBondContact OG1-OD1 3.47Å; T213-N215 VanDerWaalsContact OG1-OD1 3.05Å; T213-V229 HydrophobicContact CG2-CG1 4.02Å; T213-W231 CarbonylContact C-O 3.48Å; T213-W231 VanDerWaalsContact CA-O 3.31Å; T213-W231 WeakPolarHBondContact CA-O 3.46Å |
| 214 | I | 96 | Very high | 85.1 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 123 | 160 | -56.9 | 178.9 | 0 | 0 | 0 | 105.9 | Y189 F190 I191 V230 W231 M241 C243 I252 V254 | Y189-I214 HydrophobicContact CD1-CG2 4.33Å; F190-I214 WeakPolarHBondContact O-CA 3.45Å; I191-I214 HydrophobicContact CG1-CG1 4.48Å; I214-V230 HydrophobicContact CB-CG2 3.75Å; I214-V230 HydrophobicContact CG2-CG2 3.45Å; I214-V230 VanDerWaalsContact CG2-CG2 3.45Å; I214-V230 WeakPolarHBondContact O-CG2 3.37Å; I214-V230 PolarHBondContact O-N 3.02Å; I214-W231 HydrophobicContact CB-CB 4.45Å; I214-W231 HydrophobicContact CD1-CE3 3.74Å; I214-W231 HydrophobicContact CD1-CZ3 4.41Å; I214-W231 HydrophobicContact CG1-CE3 4.14Å; I214-W231 PolarHBondContact N-O 3.35Å; I214-W231 PolarHBondContact O-N 2.99Å; I214-M241 HydrophobicContact CD1-CE 4.46Å; I214-M241 HydrophobicContact CG1-CE 3.8Å; I214-C243 HydrophobicContact CD1-CB 4.15Å; I214-I252 HydrophobicContact CG2-CD1 4.07Å; I214-V254 HydrophobicContact CD1-CB 4.47Å; I214-V254 HydrophobicContact CD1-CG1 4.29Å; I214-V254 HydrophobicContact CD1-CG2 3.33Å |
| 215 | N | 95.7 | Very high | 87 | Confident | 9 Ų | 9 | 56.9 Ų | 56.9 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 152 | 179.4 | -49.5 | -70.1 | 0 | 0 | 0 | 109.5 | Y189 F190 N192 T213 D227 L228 V229 | Y189-N215 CarbonylContact C-O 3.53Å; Y189-N215 VanDerWaalsContact CA-O 3.28Å; Y189-N215 WeakPolarHBondContact CA-O 3.43Å; F190-N215 HydrophobicContact CD1-CB 4.21Å; F190-N215 HydrophobicContact CE1-CB 3.58Å; F190-N215 HydrophobicContact CE2-CB 4.05Å; F190-N215 HydrophobicContact CZ-CB 3.52Å; F190-N215 PolarHBondContact N-O 3.25Å; F190-N215 PolarHBondContact O-N 3.48Å; N192-N215 WeakPolarHBondContact CB-ND2 3.39Å; T213-N215 PolarHBondContact OG1-ND2 2.98Å; T213-N215 PolarHBondContact OG1-OD1 3.47Å; T213-N215 VanDerWaalsContact OG1-OD1 3.05Å; N215-D227 HydrophobicContact CB-CB 4.5Å; N215-L228 CarbonylContact C-O 3.45Å; N215-L228 VanDerWaalsContact CA-O 3.25Å; N215-L228 WeakPolarHBondContact CA-O 3.31Å; N215-V229 WeakPolarHBondContact OD1-CG2 3.49Å |
| 216 | Y | 95.5 | Very high | 89.1 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.2 | 170.9 | 177.4 | -99.7 | 0 | 0 | 0 | 109.1 | G187 I188 Y189 K218 L228 H273 | G187-Y216 WeakPolarHBondContact CA-OH 3.26Å; G187-Y216 PolarHBondContact N-OH 3.48Å; I188-Y216 WeakPolarHBondContact O-CA 3.32Å; Y189-Y216 AromaticContact CD1-CD2 3.93Å; Y189-Y216 HydrophobicContact CD1-CD2 3.93Å; Y189-Y216 HydrophobicContact CD1-CG 4.47Å; Y189-Y216 HydrophobicContact CD2-CD2 4.1Å; Y189-Y216 AromaticContact CE1-CD2 3.56Å; Y189-Y216 HydrophobicContact CE1-CD2 3.56Å; Y189-Y216 HydrophobicContact CE1-CG 4.02Å; Y189-Y216 AromaticContact CE2-CD2 3.72Å; Y189-Y216 HydrophobicContact CE2-CD2 3.72Å; Y189-Y216 AromaticContact CE2-CE2 3.98Å; Y189-Y216 HydrophobicContact CE2-CE2 3.98Å; Y189-Y216 HydrophobicContact CG-CD2 4.18Å; Y189-Y216 AromaticContact CZ-CD2 3.41Å; Y189-Y216 VanDerWaalsContact CZ-CD2 3.41Å; Y189-Y216 AromaticContact CZ-CE2 3.95Å; Y216-K218 HydrophobicContact CE1-CB 4.22Å; Y216-L228 PolarHBondContact N-O 3.13Å; Y216-L228 PolarHBondContact O-N 3.22Å; Y216-H273 AromaticContact CE2-CE1 3.83Å; Y216-H273 AromaticContact CZ-CE1 3.9Å |
| 217 | H | 96 | Very high | 91 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.8 | 172.9 | 176.7 | 83.5 | 0 | 0 | 0 | 109.7 | F158 D169 I171 G187 I188 F190 E221 D227 | F158-H217 AromaticContact CZ-CD2 3.95Å; D169-H217 IonicContact OD1-CE1 3.11Å; D169-H217 IonicContact OD1-NE2 2.66Å; D169-H217 PolarHBondContact OD1-NE2 2.86Å; I171-H217 HydrophobicContact CD1-CB 3.59Å; G187-H217 CarbonylContact C-O 3.58Å; G187-H217 WeakPolarHBondContact CA-O 3.45Å; I188-H217 HydrophobicContact CG2-CB 4.12Å; I188-H217 PolarHBondContact N-O 3.3Å; I188-H217 PolarHBondContact O-N 3.25Å; F190-H217 HydrophobicContact CD1-CB 4.3Å; F190-H217 HydrophobicContact CE1-CB 3.74Å; H217-E221 PolarHBondContact CE1-O 3.08Å; H217-D227 WeakPolarHBondContact CA-OD1 3.32Å; H217-D227 WeakPolarHBondContact CB-OD1 3.28Å; H217-D227 IonicContact CE1-OD1 3.45Å; H217-D227 IonicContact CG-OD1 2.84Å; H217-D227 IonicContact CG-OD2 3.25Å; H217-D227 IonicContact ND1-OD1 2.64Å; H217-D227 PolarHBondContact ND1-OD1 3.28Å; H217-D227 IonicContact ND1-OD2 3.95Å; H217-D227 PolarHBondContact ND1-OD2 2.95Å |
| 218 | K | 94.9 | Very high | 92.5 | Very high | 124 Ų | 124 | 50.6 Ų | 50.6 | 54% | 0.539 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 124.6 | 175.7 | -175.5 | -174.4 | 174.8 | -169.3 | 0 | 109.3 | Y216 G220 E221 | Y216-K218 HydrophobicContact CE1-CB 4.22Å; K218-G220 PolarHBondContact O-N 3.34Å; K218-E221 VanDerWaalsContact O-CB 3.3Å; K218-E221 WeakPolarHBondContact O-CB 3.22Å; K218-E221 PolarHBondContact O-N 2.76Å |
| 219 | L | 94.9 | Very high | 93.6 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 131.6 | -179.8 | -166.1 | 68.6 | 0 | 0 | 0 | 111.3 | Y141 F158 L167 D169 W181 Q186 | Y141-L219 HydrophobicContact CD1-CD2 3.84Å; Y141-L219 HydrophobicContact CD2-CD2 4.25Å; Y141-L219 HydrophobicContact CE1-CD2 3.75Å; Y141-L219 HydrophobicContact CE2-CD2 4.17Å; Y141-L219 HydrophobicContact CG-CD2 4.08Å; F158-L219 HydrophobicContact CB-CD1 3.92Å; F158-L219 HydrophobicContact CD1-CD1 3.84Å; F158-L219 HydrophobicContact CD2-CD1 4.48Å; F158-L219 HydrophobicContact CE1-CD1 4.47Å; F158-L219 HydrophobicContact CG-CD1 3.83Å; L167-L219 HydrophobicContact CD1-CD1 3.87Å; L167-L219 HydrophobicContact CD1-CD2 3.91Å; L167-L219 HydrophobicContact CD1-CG 4.18Å; D169-L219 HydrophobicContact CB-CD1 4.45Å; W181-L219 HydrophobicContact CH2-CD1 4.35Å; W181-L219 HydrophobicContact CH2-CD2 4.24Å; W181-L219 HydrophobicContact CZ3-CD2 4.3Å; Q186-L219 PolarHBondContact O-N 3.41Å |
| 220 | G | 94.4 | Very high | 94 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -4.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | D169 K218 I222 | D169-G220 WeakPolarHBondContact OD1-CA 3.39Å; D169-G220 PolarHBondContact OD1-N 3.47Å; D169-G220 PolarHBondContact OD2-N 2.96Å; K218-G220 PolarHBondContact O-N 3.34Å; G220-I222 PolarHBondContact O-N 2.89Å |
| 221 | E | 94.4 | Very high | 94.3 | Very high | 58 Ų | 58 | 47.3 Ų | 47.3 | 27% | 0.271 | 25% | 0.253 | S | S | . | . | trans | -90.9 | 97.7 | 174.4 | -176.1 | 57.6 | -102.5 | 0 | 0 | 110.3 | D169 H217 K218 D223 K226 | D169-E221 PolarHBondContact OD1-N 3.25Å; H217-E221 PolarHBondContact CE1-O 3.08Å; K218-E221 VanDerWaalsContact O-CB 3.3Å; K218-E221 WeakPolarHBondContact O-CB 3.22Å; K218-E221 PolarHBondContact O-N 2.76Å; E221-D223 PolarHBondContact O-N 3.31Å; E221-D223 PolarHBondContact OE1-N 3.11Å; E221-K226 VanDerWaalsContact CD-NZ 3.25Å; E221-K226 HydrophobicContact CG-CB 4.05Å; E221-K226 HydrophobicContact CG-CD 3.9Å; E221-K226 WeakPolarHBondContact OE1-CD 3.48Å; E221-K226 IonicContact OE1-NZ 3.66Å; E221-K226 PolarHBondContact OE1-NZ 2.9Å; E221-K226 VanDerWaalsContact OE2-CD 3.26Å; E221-K226 WeakPolarHBondContact OE2-CD 3.42Å; E221-K226 IonicContact OE2-NZ 2.76Å; E221-K226 PolarHBondContact OE2-NZ 3.23Å; E221-K226 VanDerWaalsContact OE2-NZ 3.11Å | ||
| 222 | I | 93.1 | Very high | 94.4 | Very high | 118 Ų | 118 | 45.5 Ų | 45.5 | 61% | 0.605 | 25% | 0.246 | S | C | * | . | trans | -67.3 | -26.3 | -174.7 | -57.3 | 172 | 0 | 0 | 0 | 112.1 | P168 G220 Q224 | P168-I222 HydrophobicContact CB-CD1 4.48Å; G220-I222 PolarHBondContact O-N 2.89Å; I222-Q224 PolarHBondContact O-N 3.41Å | ||
| 223 | D | 92.9 | Very high | 94.3 | Very high | 69 Ų | 69 | 46.7 Ų | 46.7 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | trans | -88 | 97.2 | -179.5 | -179.5 | 6.3 | 0 | 0 | 0 | 111.4 | E221 S225 K226 | E221-D223 PolarHBondContact O-N 3.31Å; E221-D223 PolarHBondContact OE1-N 3.11Å; D223-S225 PolarHBondContact O-N 3.05Å; D223-S225 VanDerWaalsContact OD1-CB 3.28Å; D223-S225 WeakPolarHBondContact OD1-CB 3.37Å; D223-S225 PolarHBondContact OD1-N 3.36Å; D223-S225 PolarHBondContact OD1-OG 3.5Å; D223-S225 PolarHBondContact OD2-OG 3.45Å; D223-S225 VanDerWaalsContact OD2-OG 3.14Å; D223-K226 HydrophobicContact CB-CD 4.1Å; D223-K226 HydrophobicContact CB-CG 4.38Å; D223-K226 WeakPolarHBondContact O-CB 3.35Å; D223-K226 PolarHBondContact O-N 3.28Å | ||
| 224 | Q | 92.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -53.6 | -25.6 | 177.1 | -172.8 | -175.6 | -11.4 | 0 | 0 | 113 | I171 Q172 I222 K226 D227 | I171-Q224 HydrophobicContact CG2-CG 4.25Å; Q172-Q224 PolarHBondContact O-NE2 3.2Å; I222-Q224 PolarHBondContact O-N 3.41Å; Q224-K226 PolarHBondContact O-N 3.28Å; Q224-K226 VanDerWaalsContact O-N 3.13Å; Q224-D227 WeakPolarHBondContact CG-OD2 3.36Å; Q224-D227 VanDerWaalsContact O-CB 3.26Å; Q224-D227 WeakPolarHBondContact O-CB 3.35Å; Q224-D227 VanDerWaalsContact O-CG 3.24Å; Q224-D227 PolarHBondContact O-N 3.42Å |
| 225 | S | 92.2 | Very high | 93.8 | Very high | 100 Ų | 100 | 54.2 Ų | 54.2 | 70% | 0.699 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -66.4 | -14.5 | 179.2 | 76.4 | 0 | 0 | 0 | 0 | 113.7 | D223 | D223-S225 PolarHBondContact O-N 3.05Å; D223-S225 VanDerWaalsContact OD1-CB 3.28Å; D223-S225 WeakPolarHBondContact OD1-CB 3.37Å; D223-S225 PolarHBondContact OD1-N 3.36Å; D223-S225 PolarHBondContact OD1-OG 3.5Å; D223-S225 PolarHBondContact OD2-OG 3.45Å; D223-S225 VanDerWaalsContact OD2-OG 3.14Å |
| 226 | K | 93.2 | Very high | 93.4 | Very high | 122 Ų | 122 | 56.4 Ų | 56.4 | 53% | 0.53 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -89.3 | -2.6 | 174.6 | -63.4 | 172.7 | -175.8 | 168.9 | 0 | 113.6 | E221 D223 Q224 L228 | E221-K226 VanDerWaalsContact CD-NZ 3.25Å; E221-K226 HydrophobicContact CG-CB 4.05Å; E221-K226 HydrophobicContact CG-CD 3.9Å; E221-K226 WeakPolarHBondContact OE1-CD 3.48Å; E221-K226 IonicContact OE1-NZ 3.66Å; E221-K226 PolarHBondContact OE1-NZ 2.9Å; E221-K226 VanDerWaalsContact OE2-CD 3.26Å; E221-K226 WeakPolarHBondContact OE2-CD 3.42Å; E221-K226 IonicContact OE2-NZ 2.76Å; E221-K226 PolarHBondContact OE2-NZ 3.23Å; E221-K226 VanDerWaalsContact OE2-NZ 3.11Å; D223-K226 HydrophobicContact CB-CD 4.1Å; D223-K226 HydrophobicContact CB-CG 4.38Å; D223-K226 WeakPolarHBondContact O-CB 3.35Å; D223-K226 PolarHBondContact O-N 3.28Å; Q224-K226 PolarHBondContact O-N 3.28Å; Q224-K226 VanDerWaalsContact O-N 3.13Å; K226-L228 PolarHBondContact O-N 3.36Å |
| 227 | D | 94.3 | Very high | 93 | Very high | 21 Ų | 21 | 59.1 Ų | 59.1 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | trans | -58.8 | 134.1 | 175.4 | -71.6 | -9.3 | 0 | 0 | 0 | 110.2 | F190 N215 H217 Q224 V229 | F190-D227 WeakPolarHBondContact CZ-OD2 3.28Å; N215-D227 HydrophobicContact CB-CB 4.5Å; H217-D227 WeakPolarHBondContact CA-OD1 3.32Å; H217-D227 WeakPolarHBondContact CB-OD1 3.28Å; H217-D227 IonicContact CE1-OD1 3.45Å; H217-D227 IonicContact CG-OD1 2.84Å; H217-D227 IonicContact CG-OD2 3.25Å; H217-D227 IonicContact ND1-OD1 2.64Å; H217-D227 PolarHBondContact ND1-OD1 3.28Å; H217-D227 IonicContact ND1-OD2 3.95Å; H217-D227 PolarHBondContact ND1-OD2 2.95Å; Q224-D227 WeakPolarHBondContact CG-OD2 3.36Å; Q224-D227 VanDerWaalsContact O-CB 3.26Å; Q224-D227 WeakPolarHBondContact O-CB 3.35Å; Q224-D227 VanDerWaalsContact O-CG 3.24Å; Q224-D227 PolarHBondContact O-N 3.42Å; D227-V229 PolarHBondContact O-N 3.2Å | ||
| 228 | L | 93.9 | Very high | 92.5 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 118.9 | -175.2 | -179.4 | 69.5 | 0 | 0 | 0 | 109.9 | N215 Y216 K226 V230 L278 | N215-L228 CarbonylContact C-O 3.45Å; N215-L228 VanDerWaalsContact CA-O 3.25Å; N215-L228 WeakPolarHBondContact CA-O 3.31Å; Y216-L228 PolarHBondContact N-O 3.13Å; Y216-L228 PolarHBondContact O-N 3.22Å; K226-L228 PolarHBondContact O-N 3.36Å; L228-V230 HydrophobicContact CD2-CG1 4.01Å; L228-V230 HydrophobicContact CG-CG1 4.15Å; L228-V230 PolarHBondContact O-N 2.97Å; L228-V230 VanDerWaalsContact O-N 3.12Å; L228-L278 HydrophobicContact CD2-CB 3.78Å; L228-L278 HydrophobicContact CD2-CD2 4.38Å |
| 229 | V | 94.4 | Very high | 92.1 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 106.7 | 167.6 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | T213 N215 D227 | T213-V229 HydrophobicContact CG2-CG1 4.02Å; N215-V229 WeakPolarHBondContact OD1-CG2 3.49Å; D227-V229 PolarHBondContact O-N 3.2Å |
| 230 | V | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -29.5 | -179.2 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | Y189 I214 L228 L278 R281 L282 | Y189-V230 HydrophobicContact CD1-CG2 4.13Å; Y189-V230 HydrophobicContact CE1-CG1 4.17Å; Y189-V230 HydrophobicContact CE1-CG2 4.24Å; I214-V230 HydrophobicContact CB-CG2 3.75Å; I214-V230 HydrophobicContact CG2-CG2 3.45Å; I214-V230 VanDerWaalsContact CG2-CG2 3.45Å; I214-V230 WeakPolarHBondContact O-CG2 3.37Å; I214-V230 PolarHBondContact O-N 3.02Å; L228-V230 HydrophobicContact CD2-CG1 4.01Å; L228-V230 HydrophobicContact CG-CG1 4.15Å; L228-V230 PolarHBondContact O-N 2.97Å; L228-V230 VanDerWaalsContact O-N 3.12Å; V230-L278 HydrophobicContact CG1-CD2 3.73Å; V230-R281 CarbonylContact O-C 3.58Å; V230-R281 VanDerWaalsContact O-CA 3.29Å; V230-R281 WeakPolarHBondContact O-CA 3.44Å; V230-L282 HydrophobicContact CB-CD1 4.04Å; V230-L282 HydrophobicContact CB-CG 4.15Å; V230-L282 HydrophobicContact CG2-CD1 4.43Å; V230-L282 PolarHBondContact O-N 3.47Å |
| 231 | W | 95.2 | Very high | 92 | Very high | 41 Ų | 41 | 55.3 Ų | 55.3 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 160.9 | 174.6 | -173.9 | 61.3 | 0 | 0 | 0 | 111 | T213 I214 C233 M241 V254 I267 M284 | T213-W231 CarbonylContact C-O 3.48Å; T213-W231 VanDerWaalsContact CA-O 3.31Å; T213-W231 WeakPolarHBondContact CA-O 3.46Å; I214-W231 HydrophobicContact CB-CB 4.45Å; I214-W231 HydrophobicContact CD1-CE3 3.74Å; I214-W231 HydrophobicContact CD1-CZ3 4.41Å; I214-W231 HydrophobicContact CG1-CE3 4.14Å; I214-W231 PolarHBondContact N-O 3.35Å; I214-W231 PolarHBondContact O-N 2.99Å; W231-C233 HydrophobicContact CH2-CB 3.89Å; W231-C233 HydrophobicContact CZ2-CB 4.08Å; W231-C233 HydrophobicContact CZ3-CB 4.36Å; W231-M241 HydrophobicContact CE3-SD 4.39Å; W231-M241 HydrophobicContact CZ3-SD 3.73Å; W231-V254 HydrophobicContact CH2-CG1 4.5Å; W231-V254 HydrophobicContact CZ3-CG1 3.84Å; W231-I267 HydrophobicContact CH2-CD1 3.79Å; W231-I267 HydrophobicContact CZ2-CD1 4.02Å; W231-M284 HydrophobicContact CB-CG 3.98Å; W231-M284 HydrophobicContact CD2-CB 4.49Å; W231-M284 HydrophobicContact CD2-CG 3.77Å; W231-M284 HydrophobicContact CG-CB 4.38Å; W231-M284 HydrophobicContact CG-CG 3.36Å; W231-M284 HydrophobicContact CG-SD 4.41Å |
| 232 | S | 94.5 | Very high | 92.1 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 145.6 | 180 | 61.5 | 0 | 0 | 0 | 0 | 111.5 | V212 | V212-S232 CarbonylContact O-C 3.58Å; V212-S232 VanDerWaalsContact O-CA 3.23Å; V212-S232 WeakPolarHBondContact O-CA 3.3Å |
| 233 | C | 93.8 | Very high | 92.2 | Very high | 25 Ų | 25 | 51.5 Ų | 51.5 | 17% | 0.169 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 161.5 | 170.6 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | V212 W231 | V212-C233 PolarHBondContact N-O 2.99Å; V212-C233 PolarHBondContact O-N 2.86Å; W231-C233 HydrophobicContact CH2-CB 3.89Å; W231-C233 HydrophobicContact CZ2-CB 4.08Å; W231-C233 HydrophobicContact CZ3-CB 4.36Å |
| 234 | E | 91.8 | Very high | 92.3 | Very high | 134 Ų | 134 | 52 Ų | 52 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132.4 | 173.4 | -68.9 | -178.9 | -176.7 | 0 | 0 | 110 | Y210 M211 | Y210-E234 WeakPolarHBondContact O-CA 3.39Å; M211-E234 HydrophobicContact SD-CG 4.19Å |
| 235 | M | 89.7 | Confident | 92.4 | Very high | 33 Ų | 33 | 50.2 Ų | 50.2 | 16% | 0.163 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 146.4 | 177.5 | -56.9 | -179.9 | 69.9 | 0 | 0 | 110.7 | Y210 V212 L240 M241 L256 | Y210-M235 WeakPolarHBondContact CB-O 3.18Å; Y210-M235 PolarHBondContact N-O 3.32Å; Y210-M235 PolarHBondContact O-N 3.4Å; V212-M235 HydrophobicContact CG2-CB 3.88Å; V212-M235 HydrophobicContact CG2-CG 4.18Å; V212-M235 HydrophobicContact CG2-SD 4.35Å; M235-L240 HydrophobicContact CE-CB 4.39Å; M235-M241 HydrophobicContact SD-CB 4.16Å; M235-M241 HydrophobicContact SD-SD 4.49Å; M235-L256 HydrophobicContact CE-CD2 4.03Å; M235-L256 HydrophobicContact SD-CD2 3.84Å |
| 236 | S | 85.9 | Confident | 92.4 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 38% | 0.378 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -74.3 | -27 | 170.3 | 30.4 | 0 | 0 | 0 | 0 | 112.9 | Y210 E259 | Y210-S236 WeakPolarHBondContact CE2-O 3.3Å; S236-E259 WeakPolarHBondContact CB-OE1 3.31Å; S236-E259 PolarHBondContact OG-OE1 3.19Å |
| 237 | Q | 86.8 | Confident | 92 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 38% | 0.379 | 21% | 0.212 | S | C | . | . | trans | -129 | 91.9 | -177.9 | -64 | -171.8 | 30.8 | 0 | 0 | 112.2 | N239 L240 E259 | Q237-N239 PolarHBondContact O-N 2.93Å; Q237-L240 HydrophobicContact CB-CD1 3.77Å; Q237-L240 HydrophobicContact CB-CG 3.92Å; Q237-L240 HydrophobicContact CG-CD1 4.48Å; Q237-L240 PolarHBondContact O-N 2.81Å; Q237-E259 HydrophobicContact CG-CG 4.45Å; Q237-E259 WeakPolarHBondContact CG-OE1 3.4Å | ||
| 238 | P | 85.4 | Confident | 91.5 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -60.2 | -29.1 | -177.2 | -26.3 | 35.1 | 0 | 0 | 0 | 114.9 | C193 Y210 V212 L240 M241 | C193-P238 HydrophobicContact CB-CB 3.86Å; C193-P238 HydrophobicContact CB-CG 3.8Å; Y210-P238 HydrophobicContact CD1-CG 4.04Å; Y210-P238 HydrophobicContact CD2-CG 3.56Å; Y210-P238 HydrophobicContact CE2-CG 4.18Å; Y210-P238 HydrophobicContact CG-CG 3.47Å; Y210-P238 VanDerWaalsContact CG-CG 3.47Å; V212-P238 HydrophobicContact CG1-CB 4.31Å; V212-P238 HydrophobicContact CG2-CB 3.93Å; V212-P238 HydrophobicContact CG2-CG 3.98Å; P238-L240 PolarHBondContact O-N 3.41Å; P238-L240 VanDerWaalsContact O-N 3.16Å; P238-M241 PolarHBondContact O-N 2.92Å |
| 239 | N | 88.1 | Confident | 91.2 | Very high | 87 Ų | 87 | 41.5 Ų | 41.5 | 47% | 0.465 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -73.4 | -2.1 | -177.3 | -62.9 | -26.1 | 0 | 0 | 0 | 113.8 | N175 K176 Q237 | N175-N239 PolarHBondContact ND2-OD1 3.47Å; K176-N239 PolarHBondContact O-OD1 3.39Å; Q237-N239 PolarHBondContact O-N 2.93Å |
| 240 | L | 92.1 | Very high | 91 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -95 | 1.8 | 176.8 | -62.2 | -174.3 | 0 | 0 | 0 | 113.3 | M235 Q237 P238 L257 E259 | M235-L240 HydrophobicContact CE-CB 4.39Å; Q237-L240 HydrophobicContact CB-CD1 3.77Å; Q237-L240 HydrophobicContact CB-CG 3.92Å; Q237-L240 HydrophobicContact CG-CD1 4.48Å; Q237-L240 PolarHBondContact O-N 2.81Å; P238-L240 PolarHBondContact O-N 3.41Å; P238-L240 VanDerWaalsContact O-N 3.16Å; L240-L257 HydrophobicContact CB-CB 4.11Å; L240-L257 HydrophobicContact CD2-CB 4.26Å; L240-L257 PolarHBondContact O-N 2.86Å; L240-E259 HydrophobicContact CD1-CB 4.18Å; L240-E259 HydrophobicContact CD1-CG 3.77Å |
| 241 | M | 95 | Very high | 91 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.3 | 172.9 | -174.3 | 169.5 | 78 | 0 | 0 | 110.6 | I191 V212 I214 W231 M235 P238 V254 T255 L256 | I191-M241 HydrophobicContact CB-CE 4.13Å; I191-M241 VanDerWaalsContact CD1-C 3.44Å; I191-M241 HydrophobicContact CD1-CB 3.89Å; I191-M241 HydrophobicContact CD1-CE 3.61Å; I191-M241 HydrophobicContact CD1-CG 3.66Å; I191-M241 WeakPolarHBondContact CD1-O 3.42Å; I191-M241 HydrophobicContact CD1-SD 4.48Å; I191-M241 HydrophobicContact CG1-CE 3.66Å; I191-M241 HydrophobicContact CG2-CE 3.48Å; I191-M241 VanDerWaalsContact CG2-CE 3.48Å; V212-M241 HydrophobicContact CB-CE 4.27Å; V212-M241 HydrophobicContact CG1-CE 3.34Å; V212-M241 HydrophobicContact CG1-SD 4.35Å; I214-M241 HydrophobicContact CD1-CE 4.46Å; I214-M241 HydrophobicContact CG1-CE 3.8Å; W231-M241 HydrophobicContact CE3-SD 4.39Å; W231-M241 HydrophobicContact CZ3-SD 3.73Å; M235-M241 HydrophobicContact SD-CB 4.16Å; M235-M241 HydrophobicContact SD-SD 4.49Å; P238-M241 PolarHBondContact O-N 2.92Å; M241-V254 HydrophobicContact CG-CG1 3.81Å; M241-V254 HydrophobicContact SD-CG1 3.96Å; M241-T255 WeakPolarHBondContact CA-O 3.3Å; M241-L256 HydrophobicContact CB-CD2 3.82Å; M241-L256 HydrophobicContact CG-CD2 3.51Å; M241-L256 HydrophobicContact SD-CD2 3.74Å |
| 242 | F | 95.5 | Very high | 91 | Very high | 90 Ų | 90 | 41 Ų | 41 | 40% | 0.395 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.4 | 174.1 | -59.6 | -90.9 | 0 | 0 | 0 | 109.5 | V254 T255 L257 | F242-V254 WeakPolarHBondContact O-CA 3.49Å; F242-T255 PolarHBondContact N-O 2.74Å; F242-T255 PolarHBondContact O-N 2.91Å; F242-L257 HydrophobicContact CD2-CD1 4.28Å; F242-L257 HydrophobicContact CD2-CG 4.22Å; F242-L257 HydrophobicContact CE2-CD1 3.52Å; F242-L257 HydrophobicContact CE2-CG 3.9Å; F242-L257 HydrophobicContact CZ-CD1 4.36Å |
| 243 | C | 95.7 | Very high | 91 | Very high | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.8 | 173.6 | 66 | 0 | 0 | 0 | 0 | 111.3 | S178 I214 I252 I253 V254 | S178-C243 PolarHBondContact OG-N 3.4Å; S178-C243 VanDerWaalsContact OG-N 3.13Å; S178-C243 PolarHBondContact OG-O 2.72Å; I214-C243 HydrophobicContact CD1-CB 4.15Å; C243-I252 HydrophobicContact CB-CD1 4.31Å; C243-I252 HydrophobicContact CB-CG1 4.43Å; C243-I253 VanDerWaalsContact CA-O 3.27Å; C243-I253 WeakPolarHBondContact CA-O 3.31Å; C243-V254 HydrophobicContact CB-CG2 4.44Å |
| 244 | E | 95 | Very high | 91.2 | Very high | 79 Ų | 79 | 38.9 Ų | 38.9 | 37% | 0.369 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 158.3 | 175.5 | 63.9 | -172.5 | 148.7 | 0 | 0 | 109.7 | I252 I253 | E244-I252 WeakPolarHBondContact O-CA 3.19Å; E244-I253 HydrophobicContact CG-CB 3.98Å; E244-I253 PolarHBondContact N-O 3.03Å; E244-I253 PolarHBondContact O-N 3.09Å |
| 245 | L | 93.8 | Very high | 91.5 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 10% | 0.099 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 150.5 | 168 | -62.6 | -171.8 | 0 | 0 | 0 | 109.7 | T180 W181 Y189 Y251 I252 I271 | T180-L245 HydrophobicContact CG2-CG 4.05Å; W181-L245 VanDerWaalsContact O-CD1 3.22Å; W181-L245 WeakPolarHBondContact O-CD1 3.28Å; Y189-L245 HydrophobicContact CD2-CD1 4.34Å; Y189-L245 HydrophobicContact CD2-CD2 4.24Å; Y189-L245 HydrophobicContact CE2-CD1 4.22Å; Y189-L245 HydrophobicContact CE2-CD2 4.28Å; L245-Y251 WeakPolarHBondContact CA-O 3.47Å; L245-I252 HydrophobicContact CD2-CB 3.71Å; L245-I252 HydrophobicContact CD2-CD1 4.32Å; L245-I252 HydrophobicContact CD2-CG1 3.94Å; L245-I271 HydrophobicContact CD2-CD1 4.2Å |
| 246 | D | 92.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | trans | -66 | 166.6 | 167 | 82.7 | -67.1 | 0 | 0 | 0 | 111.3 | T248 G249 R250 Y251 F297 S300 | D246-T248 PolarHBondContact O-N 2.8Å; D246-T248 WeakPolarHBondContact OD2-CB 3.49Å; D246-T248 PolarHBondContact OD2-N 3.1Å; D246-T248 PolarHBondContact OD2-OG1 2.91Å; D246-G249 PolarHBondContact O-N 3.36Å; D246-G249 WeakPolarHBondContact OD1-CA 3.42Å; D246-G249 PolarHBondContact OD1-N 3.23Å; D246-G249 VanDerWaalsContact OD1-N 3.1Å; D246-R250 PolarHBondContact OD1-N 3.13Å; D246-Y251 PolarHBondContact N-O 3.2Å; D246-Y251 PolarHBondContact OD1-N 3.08Å; D246-F297 HydrophobicContact CB-CE1 4.14Å; D246-F297 HydrophobicContact CB-CZ 3.88Å; D246-S300 VanDerWaalsContact CB-OG 3.31Å; D246-S300 WeakPolarHBondContact CB-OG 3.26Å; D246-S300 PolarHBondContact OD2-OG 3.1Å | ||
| 247 | E | 85 | Confident | 92.2 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -36.7 | 179 | -71.7 | 73.8 | -166.9 | 0 | 0 | 113.3 | G299 S300 Y394 | E247-G299 WeakPolarHBondContact OE1-CA 3.47Å; E247-G299 WeakPolarHBondContact OE2-CA 3.23Å; E247-S300 PolarHBondContact OE2-N 3.25Å; E247-Y394 HydrophobicContact CB-CD1 3.47Å; E247-Y394 VanDerWaalsContact CB-CD1 3.47Å; E247-Y394 HydrophobicContact CB-CD2 3.97Å; E247-Y394 HydrophobicContact CB-CE1 3.85Å; E247-Y394 HydrophobicContact CB-CE2 4.3Å; E247-Y394 HydrophobicContact CB-CG 3.53Å; E247-Y394 VanDerWaalsContact CG-CB 3.45Å; E247-Y394 HydrophobicContact CG-CD1 3.63Å; E247-Y394 HydrophobicContact CG-CD2 4.38Å; E247-Y394 HydrophobicContact CG-CE1 4.47Å; E247-Y394 HydrophobicContact CG-CG 3.56Å; E247-Y394 WeakPolarHBondContact O-CE1 3.36Å; E247-Y394 PolarHBondContact O-OH 3.13Å |
| 248 | T | 83.2 | Confident | 92.4 | Very high | 70 Ų | 70 | 30.7 Ų | 30.7 | 43% | 0.429 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -6.3 | -176.6 | 72 | 0 | 0 | 0 | 0 | 113.5 | N183 D246 R250 | N183-T248 PolarHBondContact ND2-O 3.37Å; D246-T248 PolarHBondContact O-N 2.8Å; D246-T248 WeakPolarHBondContact OD2-CB 3.49Å; D246-T248 PolarHBondContact OD2-N 3.1Å; D246-T248 PolarHBondContact OD2-OG1 2.91Å; T248-R250 PolarHBondContact O-N 3.42Å; T248-R250 VanDerWaalsContact OG1-CB 3.24Å; T248-R250 WeakPolarHBondContact OG1-CB 3.32Å |
| 249 | G | 88 | Confident | 92.4 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 65.8 | 17.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N183 D246 | N183-G249 WeakPolarHBondContact ND2-CA 3.38Å; N183-G249 PolarHBondContact ND2-N 3.45Å; N183-G249 WeakPolarHBondContact OD1-CA 3.43Å; D246-G249 PolarHBondContact O-N 3.36Å; D246-G249 WeakPolarHBondContact OD1-CA 3.42Å; D246-G249 PolarHBondContact OD1-N 3.23Å; D246-G249 VanDerWaalsContact OD1-N 3.1Å |
| 250 | R | 90.3 | Very high | 91.9 | Very high | 70 Ų | 70 | 38.2 Ų | 38.2 | 26% | 0.264 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -79.5 | -33.9 | 179.5 | -178.7 | 170.8 | 179.7 | 170.1 | -4.8 | 110.6 | D246 T248 L270 I271 N272 | D246-R250 PolarHBondContact OD1-N 3.13Å; T248-R250 PolarHBondContact O-N 3.42Å; T248-R250 VanDerWaalsContact OG1-CB 3.24Å; T248-R250 WeakPolarHBondContact OG1-CB 3.32Å; R250-L270 HydrophobicContact CG-CD1 3.76Å; R250-I271 PolarHBondContact O-N 2.93Å; R250-N272 HydrophobicContact CG-CB 4.38Å; R250-N272 PolarHBondContact O-N 3.29Å |
| 251 | Y | 93.2 | Very high | 91.3 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.1 | -175.6 | -54.3 | -69.2 | 0 | 0 | 0 | 110.5 | L245 D246 F268 G269 L270 S302 F305 I323 | L245-Y251 WeakPolarHBondContact CA-O 3.47Å; D246-Y251 PolarHBondContact N-O 3.2Å; D246-Y251 PolarHBondContact OD1-N 3.08Å; Y251-F268 AromaticContact CD1-CD2 3.89Å; Y251-F268 HydrophobicContact CD1-CD2 3.89Å; Y251-F268 HydrophobicContact CD1-CE2 4.25Å; Y251-F268 HydrophobicContact CE1-CD2 4.41Å; Y251-F268 HydrophobicContact CE1-CE2 4.33Å; Y251-G269 VanDerWaalsContact CA-O 3.26Å; Y251-G269 WeakPolarHBondContact CA-O 3.3Å; Y251-L270 HydrophobicContact CD1-CD1 4.06Å; Y251-L270 HydrophobicContact CE1-CD1 3.64Å; Y251-S302 PolarHBondContact OH-O 3.37Å; Y251-F305 HydrophobicContact CD1-CZ 4.34Å; Y251-F305 AromaticContact CD2-CE1 3.57Å; Y251-F305 HydrophobicContact CD2-CE1 3.57Å; Y251-F305 AromaticContact CD2-CZ 3.79Å; Y251-F305 HydrophobicContact CD2-CZ 3.79Å; Y251-F305 AromaticContact CE2-CE1 3.82Å; Y251-F305 HydrophobicContact CE2-CE1 3.82Å; Y251-F305 HydrophobicContact CE2-CZ 4.36Å; Y251-F305 HydrophobicContact CG-CE1 4.05Å; Y251-F305 AromaticContact CG-CZ 3.77Å; Y251-F305 HydrophobicContact CG-CZ 3.77Å; Y251-I323 HydrophobicContact CE1-CD1 3.8Å; Y251-I323 HydrophobicContact CE2-CD1 4.13Å; Y251-I323 VanDerWaalsContact CZ-CD1 3.46Å; Y251-I323 VanDerWaalsContact OH-CD1 3.28Å; Y251-I323 WeakPolarHBondContact OH-CD1 3.21Å |
| 252 | I | 94.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 134.2 | 159.1 | -171.1 | 162.2 | 0 | 0 | 0 | 108.3 | Y189 I214 C243 E244 L245 F268 G269 I271 L282 M284 | Y189-I252 HydrophobicContact CD1-CD1 3.97Å; Y189-I252 HydrophobicContact CG-CD1 4.06Å; I214-I252 HydrophobicContact CG2-CD1 4.07Å; C243-I252 HydrophobicContact CB-CD1 4.31Å; C243-I252 HydrophobicContact CB-CG1 4.43Å; E244-I252 WeakPolarHBondContact O-CA 3.19Å; L245-I252 HydrophobicContact CD2-CB 3.71Å; L245-I252 HydrophobicContact CD2-CD1 4.32Å; L245-I252 HydrophobicContact CD2-CG1 3.94Å; I252-F268 CarbonylContact O-C 3.59Å; I252-F268 WeakPolarHBondContact O-CA 3.13Å; I252-F268 WeakPolarHBondContact O-CB 3.44Å; I252-G269 PolarHBondContact N-O 3.1Å; I252-G269 PolarHBondContact O-N 2.89Å; I252-I271 HydrophobicContact CB-CD1 3.49Å; I252-I271 VanDerWaalsContact CB-CD1 3.49Å; I252-I271 HydrophobicContact CB-CG1 4.08Å; I252-I271 HydrophobicContact CD1-CD1 4.07Å; I252-I271 HydrophobicContact CG1-CD1 4.37Å; I252-I271 HydrophobicContact CG2-CD1 3.55Å; I252-I271 HydrophobicContact CG2-CG1 3.83Å; I252-L282 HydrophobicContact CG2-CD1 4Å; I252-M284 HydrophobicContact CG2-CE 4.08Å; I252-M284 HydrophobicContact CG2-SD 4.13Å |
| 253 | I | 96.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.8 | 176.3 | -46.8 | -56.9 | 0 | 0 | 0 | 107.5 | C243 E244 L266 F268 F297 F305 | C243-I253 VanDerWaalsContact CA-O 3.27Å; C243-I253 WeakPolarHBondContact CA-O 3.31Å; E244-I253 HydrophobicContact CG-CB 3.98Å; E244-I253 PolarHBondContact N-O 3.03Å; E244-I253 PolarHBondContact O-N 3.09Å; I253-L266 HydrophobicContact CG2-CD2 4.37Å; I253-F268 HydrophobicContact CD1-CB 3.81Å; I253-F297 HydrophobicContact CD1-CD2 4.32Å; I253-F297 HydrophobicContact CD1-CE2 3.98Å; I253-F297 HydrophobicContact CD1-CZ 4.09Å; I253-F297 HydrophobicContact CG1-CD1 3.94Å; I253-F297 HydrophobicContact CG1-CD2 4.17Å; I253-F297 HydrophobicContact CG1-CE1 3.84Å; I253-F297 HydrophobicContact CG1-CE2 4.06Å; I253-F297 HydrophobicContact CG1-CG 4.1Å; I253-F297 HydrophobicContact CG1-CZ 3.89Å; I253-F297 HydrophobicContact CG2-CB 4.14Å; I253-F297 HydrophobicContact CG2-CD2 4.39Å; I253-F297 HydrophobicContact CG2-CG 4.14Å; I253-F305 HydrophobicContact CD1-CD2 4.23Å; I253-F305 HydrophobicContact CD1-CE2 3.32Å; I253-F305 HydrophobicContact CD1-CZ 3.64Å |
| 254 | V | 97.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.8 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | I214 W231 M241 F242 C243 L256 L266 I267 M284 | I214-V254 HydrophobicContact CD1-CB 4.47Å; I214-V254 HydrophobicContact CD1-CG1 4.29Å; I214-V254 HydrophobicContact CD1-CG2 3.33Å; W231-V254 HydrophobicContact CH2-CG1 4.5Å; W231-V254 HydrophobicContact CZ3-CG1 3.84Å; M241-V254 HydrophobicContact CG-CG1 3.81Å; M241-V254 HydrophobicContact SD-CG1 3.96Å; F242-V254 WeakPolarHBondContact O-CA 3.49Å; C243-V254 HydrophobicContact CB-CG2 4.44Å; V254-L256 HydrophobicContact CG1-CD2 4.14Å; V254-L256 HydrophobicContact CG1-CG 4.48Å; V254-L266 WeakPolarHBondContact O-CA 3.24Å; V254-I267 HydrophobicContact CB-CB 4.38Å; V254-I267 PolarHBondContact N-O 2.78Å; V254-I267 PolarHBondContact O-N 3.21Å; V254-M284 HydrophobicContact CB-CE 4.33Å; V254-M284 HydrophobicContact CG2-CE 3.5Å; V254-M284 VanDerWaalsContact CG2-CE 3.5Å |
| 255 | T | 97.1 | Very high | 90.9 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.4 | 175.5 | -62.6 | 0 | 0 | 0 | 0 | 109.1 | M241 F242 L257 N264 K265 L266 | M241-T255 WeakPolarHBondContact CA-O 3.3Å; F242-T255 PolarHBondContact N-O 2.74Å; F242-T255 PolarHBondContact O-N 2.91Å; T255-L257 HydrophobicContact CG2-CD2 3.82Å; T255-N264 HydrophobicContact CG2-CB 4Å; T255-N264 WeakPolarHBondContact CG2-ND2 3.35Å; T255-K265 WeakPolarHBondContact CA-O 3.34Å; T255-L266 HydrophobicContact CG2-CD2 4.32Å; T255-L266 WeakPolarHBondContact OG1-CD2 3.04Å |
| 256 | L | 96 | Very high | 91 | Very high | 19 Ų | 19 | 41 Ų | 41 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 114.2 | 173.6 | -55.1 | 173.9 | 0 | 0 | 0 | 108.4 | M235 M241 V254 N264 K265 I267 F291 | M235-L256 HydrophobicContact CE-CD2 4.03Å; M235-L256 HydrophobicContact SD-CD2 3.84Å; M241-L256 HydrophobicContact CB-CD2 3.82Å; M241-L256 HydrophobicContact CG-CD2 3.51Å; M241-L256 HydrophobicContact SD-CD2 3.74Å; V254-L256 HydrophobicContact CG1-CD2 4.14Å; V254-L256 HydrophobicContact CG1-CG 4.48Å; L256-N264 CarbonylContact O-C 3.57Å; L256-N264 WeakPolarHBondContact O-CA 3.39Å; L256-N264 WeakPolarHBondContact O-CB 3.43Å; L256-K265 HydrophobicContact CB-CB 4.25Å; L256-K265 PolarHBondContact N-O 2.97Å; L256-K265 VanDerWaalsContact N-O 3.13Å; L256-K265 PolarHBondContact O-N 3.35Å; L256-I267 HydrophobicContact CD1-CD1 3.74Å; L256-F291 WeakPolarHBondContact O-CE1 3.43Å |
| 257 | L | 95.1 | Very high | 91.2 | Very high | 56 Ų | 56 | 41.7 Ų | 41.7 | 29% | 0.293 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 148 | 177.2 | -55.5 | -174.3 | 0 | 0 | 0 | 111.1 | L240 F242 T255 N264 | L240-L257 HydrophobicContact CB-CB 4.11Å; L240-L257 HydrophobicContact CD2-CB 4.26Å; L240-L257 PolarHBondContact O-N 2.86Å; F242-L257 HydrophobicContact CD2-CD1 4.28Å; F242-L257 HydrophobicContact CD2-CG 4.22Å; F242-L257 HydrophobicContact CE2-CD1 3.52Å; F242-L257 HydrophobicContact CE2-CG 3.9Å; F242-L257 HydrophobicContact CZ-CD1 4.36Å; T255-L257 HydrophobicContact CG2-CD2 3.82Å; L257-N264 HydrophobicContact CD2-CB 3.71Å |
| 258 | N | 91.8 | Very high | 91.7 | Very high | 36 Ų | 36 | 40.7 Ų | 40.7 | 19% | 0.193 | 20% | 0.204 | C | C | . | . | trans | -69.1 | 148 | 168.7 | -170.9 | -81.9 | 0 | 0 | 0 | 110.5 | Q260 H261 Q263 F291 | N258-Q260 PolarHBondContact OD1-N 3.15Å; N258-H261 PolarHBondContact OD1-N 3.33Å; N258-H261 VanDerWaalsContact OD1-N 3.09Å; N258-Q263 WeakPolarHBondContact CB-O 3.13Å; N258-Q263 PolarHBondContact N-O 3Å; N258-F291 HydrophobicContact CB-CD1 3.64Å; N258-F291 HydrophobicContact CB-CE1 3.83Å; N258-F291 HydrophobicContact CB-CG 4.13Å; N258-F291 HydrophobicContact CB-CZ 4.48Å; N258-F291 WeakPolarHBondContact ND2-CG 3.45Å | ||
| 259 | E | 83.9 | Confident | 92.1 | Very high | 97 Ų | 97 | 37.4 Ų | 37.4 | 45% | 0.453 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -71.3 | -32.4 | -178.4 | -60.1 | -169.5 | 152.5 | 0 | 0 | 114 | S236 Q237 L240 | S236-E259 WeakPolarHBondContact CB-OE1 3.31Å; S236-E259 PolarHBondContact OG-OE1 3.19Å; Q237-E259 HydrophobicContact CG-CG 4.45Å; Q237-E259 WeakPolarHBondContact CG-OE1 3.4Å; L240-E259 HydrophobicContact CD1-CB 4.18Å; L240-E259 HydrophobicContact CD1-CG 3.77Å |
| 260 | Q | 77.4 | Confident | 92.3 | Very high | 159 Ų | 159 | 40.8 Ų | 40.8 | 74% | 0.743 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -108.6 | -24.7 | -170.9 | -62.4 | -172.3 | -7.3 | 0 | 0 | 112.7 | N258 | N258-Q260 PolarHBondContact OD1-N 3.15Š|
| 261 | H | 81.1 | Confident | 92.1 | Very high | 116 Ų | 116 | 37.5 Ų | 37.5 | 54% | 0.537 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -131.3 | 178.9 | -172.9 | -53.7 | -55.1 | 0 | 0 | 0 | 111.3 | N258 | N258-H261 PolarHBondContact OD1-N 3.33Å; N258-H261 VanDerWaalsContact OD1-N 3.09Å |
| 262 | S | 84.6 | Confident | 91.2 | Very high | 69 Ų | 69 | 38 Ų | 38 | 48% | 0.483 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -96.5 | -1 | -170.8 | 42.7 | 0 | 0 | 0 | 0 | 114 | K294 | S262-K294 WeakPolarHBondContact O-CG 3.41Å; S262-K294 WeakPolarHBondContact OG-CE 3.42Å; S262-K294 PolarHBondContact OG-NZ 3.17Å |
| 263 | Q | 94.8 | Very high | 90.1 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 24% | 0.243 | 20% | 0.201 | C | C | . | . | trans | -66.6 | 158.4 | 173.2 | -64.1 | 89.2 | -27.8 | 0 | 0 | 111.5 | N258 F291 A293 | N258-Q263 WeakPolarHBondContact CB-O 3.13Å; N258-Q263 PolarHBondContact N-O 3Å; Q263-F291 HydrophobicContact CB-CB 4.09Å; Q263-F291 HydrophobicContact CB-CD1 4.41Å; Q263-F291 WeakPolarHBondContact CG-O 3.36Å; Q263-A293 VanDerWaalsContact CA-O 3.23Å; Q263-A293 WeakPolarHBondContact CA-O 3.24Å; Q263-A293 VanDerWaalsContact CB-O 3.24Å; Q263-A293 WeakPolarHBondContact CB-O 3.29Å | ||
| 264 | N | 97.2 | Very high | 88.7 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 159.3 | -177.1 | 65.7 | -75.7 | 0 | 0 | 0 | 113 | T255 L256 L257 A293 K294 Y295 | T255-N264 HydrophobicContact CG2-CB 4Å; T255-N264 WeakPolarHBondContact CG2-ND2 3.35Å; L256-N264 CarbonylContact O-C 3.57Å; L256-N264 WeakPolarHBondContact O-CA 3.39Å; L256-N264 WeakPolarHBondContact O-CB 3.43Å; L257-N264 HydrophobicContact CD2-CB 3.71Å; N264-A293 PolarHBondContact N-O 2.89Å; N264-A293 VanDerWaalsContact N-O 3.15Å; N264-K294 WeakPolarHBondContact OD1-CA 3.48Å; N264-Y295 PolarHBondContact ND2-O 3.46Å; N264-Y295 WeakPolarHBondContact O-CD2 3.25Å; N264-Y295 PolarHBondContact OD1-N 2.91Å; N264-Y295 PolarHBondContact OD1-O 2.88Å |
| 265 | K | 96.3 | Very high | 87.1 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 18% | 0.183 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 156.2 | 167.6 | -62.7 | -176.8 | 174.3 | -154.6 | 0 | 110.4 | T255 L256 V288 D289 F291 | T255-K265 WeakPolarHBondContact CA-O 3.34Å; L256-K265 HydrophobicContact CB-CB 4.25Å; L256-K265 PolarHBondContact N-O 2.97Å; L256-K265 VanDerWaalsContact N-O 3.13Å; L256-K265 PolarHBondContact O-N 3.35Å; K265-V288 WeakPolarHBondContact CA-O 3.29Å; K265-V288 VanDerWaalsContact CB-O 3.31Å; K265-V288 WeakPolarHBondContact CB-O 3.45Å; K265-D289 VanDerWaalsContact CE-C 3.46Å; K265-D289 WeakPolarHBondContact CE-O 3.43Å; K265-D289 PolarHBondContact NZ-O 3.18Å; K265-D289 IonicContact NZ-OD1 3.27Å; K265-D289 PolarHBondContact NZ-OD1 3.44Å; K265-F291 HydrophobicContact CD-CE2 4.23Å; K265-F291 HydrophobicContact CD-CZ 4.14Å; K265-F291 HydrophobicContact CG-CD1 4.2Å; K265-F291 HydrophobicContact CG-CE1 3.94Å; K265-F291 HydrophobicContact CG-CE2 4.36Å; K265-F291 HydrophobicContact CG-CZ 4.02Å |
| 266 | L | 96.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 126.5 | 173.4 | -71.8 | -177.4 | 0 | 0 | 0 | 110.3 | I253 V254 T255 I287 V288 Y295 I307 | I253-L266 HydrophobicContact CG2-CD2 4.37Å; V254-L266 WeakPolarHBondContact O-CA 3.24Å; T255-L266 HydrophobicContact CG2-CD2 4.32Å; T255-L266 WeakPolarHBondContact OG1-CD2 3.04Å; L266-I287 PolarHBondContact O-N 3.45Å; L266-V288 HydrophobicContact CB-CB 4.33Å; L266-V288 HydrophobicContact CB-CG2 4.4Å; L266-V288 PolarHBondContact N-O 2.91Å; L266-V288 VanDerWaalsContact N-O 3.07Å; L266-V288 PolarHBondContact O-N 3.09Å; L266-V288 VanDerWaalsContact O-N 3.08Å; L266-Y295 VanDerWaalsContact CD1-CB 3.43Å; L266-Y295 HydrophobicContact CD1-CG 4.44Å; L266-I307 HydrophobicContact CD1-CD1 3.92Å; L266-I307 HydrophobicContact CD1-CG1 4.33Å; L266-I307 HydrophobicContact CD1-CG2 4.01Å |
| 267 | I | 95.7 | Very high | 84.4 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 145.1 | -179.8 | -50.2 | 172.8 | 0 | 0 | 0 | 107.6 | W231 V254 L256 M284 I285 | W231-I267 HydrophobicContact CH2-CD1 3.79Å; W231-I267 HydrophobicContact CZ2-CD1 4.02Å; V254-I267 HydrophobicContact CB-CB 4.38Å; V254-I267 PolarHBondContact N-O 2.78Å; V254-I267 PolarHBondContact O-N 3.21Å; L256-I267 HydrophobicContact CD1-CD1 3.74Å; I267-M284 HydrophobicContact CG2-CB 3.69Å; I267-M284 HydrophobicContact CG2-CE 4.07Å; I267-I285 WeakPolarHBondContact CA-O 3.36Å; I267-I285 WeakPolarHBondContact CG2-O 3.46Å |
| 268 | F | 95.1 | Very high | 83.5 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 4% | 0.044 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 157.9 | 176.3 | 78.3 | -73.4 | 0 | 0 | 0 | 113.1 | Y251 I252 I253 M284 I285 I287 F305 I323 | Y251-F268 AromaticContact CD1-CD2 3.89Å; Y251-F268 HydrophobicContact CD1-CD2 3.89Å; Y251-F268 HydrophobicContact CD1-CE2 4.25Å; Y251-F268 HydrophobicContact CE1-CD2 4.41Å; Y251-F268 HydrophobicContact CE1-CE2 4.33Å; I252-F268 CarbonylContact O-C 3.59Å; I252-F268 WeakPolarHBondContact O-CA 3.13Å; I252-F268 WeakPolarHBondContact O-CB 3.44Å; I253-F268 HydrophobicContact CD1-CB 3.81Å; F268-M284 CarbonylContact O-C 3.56Å; F268-M284 WeakPolarHBondContact O-CA 3.46Å; F268-I285 HydrophobicContact CD1-CB 4.18Å; F268-I285 WeakPolarHBondContact CD1-O 3.31Å; F268-I285 HydrophobicContact CE1-CB 3.69Å; F268-I285 HydrophobicContact CE1-CG2 3.82Å; F268-I285 HydrophobicContact CZ-CB 4.08Å; F268-I285 HydrophobicContact CZ-CD1 4.18Å; F268-I285 HydrophobicContact CZ-CG2 4.29Å; F268-I285 PolarHBondContact N-O 3.05Å; F268-I285 PolarHBondContact O-N 3.02Å; F268-I287 HydrophobicContact CB-CD1 4.26Å; F268-I287 HydrophobicContact CD1-CD1 3.42Å; F268-I287 VanDerWaalsContact CD1-CD1 3.42Å; F268-I287 HydrophobicContact CD1-CG1 3.48Å; F268-I287 VanDerWaalsContact CD1-CG1 3.48Å; F268-I287 HydrophobicContact CE1-CD1 4Å; F268-I287 HydrophobicContact CE1-CG1 3.69Å; F268-I287 HydrophobicContact CG-CD1 4.06Å; F268-F305 HydrophobicContact CB-CE2 3.86Å; F268-F305 HydrophobicContact CB-CZ 4.23Å; F268-F305 HydrophobicContact CD1-CE2 4.39Å; F268-F305 HydrophobicContact CD2-CE2 4.21Å; F268-F305 AromaticContact CD2-CZ 3.95Å; F268-F305 HydrophobicContact CD2-CZ 3.95Å; F268-F305 AromaticContact CG-CE2 3.9Å; F268-F305 HydrophobicContact CG-CE2 3.9Å; F268-F305 HydrophobicContact CG-CZ 4.11Å; F268-I323 HydrophobicContact CE1-CB 4.47Å; F268-I323 HydrophobicContact CE2-CB 4.27Å; F268-I323 HydrophobicContact CE2-CD1 4.1Å; F268-I323 HydrophobicContact CZ-CB 3.84Å; F268-I323 HydrophobicContact CZ-CD1 4.49Å; F268-I323 HydrophobicContact CZ-CG1 4.5Å; F268-I323 HydrophobicContact CZ-CG2 4.27Å |
| 269 | G | 92.9 | Very high | 82.6 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 145.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y251 I252 M284 | Y251-G269 VanDerWaalsContact CA-O 3.26Å; Y251-G269 WeakPolarHBondContact CA-O 3.3Å; I252-G269 PolarHBondContact N-O 3.1Å; I252-G269 PolarHBondContact O-N 2.89Å; G269-M284 VanDerWaalsContact CA-SD 3.53Å |
| 270 | L | 91 | Very high | 82.4 | Confident | 74 Ų | 74 | 69.4 Ų | 69.4 | 39% | 0.387 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.3 | 175.1 | -178.8 | 71.2 | 0 | 0 | 0 | 109.9 | R250 Y251 N272 I276 L282 | R250-L270 HydrophobicContact CG-CD1 3.76Å; Y251-L270 HydrophobicContact CD1-CD1 4.06Å; Y251-L270 HydrophobicContact CE1-CD1 3.64Å; L270-N272 HydrophobicContact CD1-CB 4.42Å; L270-I276 HydrophobicContact CD2-CD1 3.6Å; L270-I276 HydrophobicContact CG-CD1 3.81Å; L270-L282 WeakPolarHBondContact O-CD2 3.33Å |
| 271 | I | 86.1 | Confident | 83 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -108 | -52.2 | 179.4 | -64.4 | -161.4 | 0 | 0 | 0 | 111.7 | Y189 L245 R250 I252 H273 I276 L278 L282 | Y189-I271 HydrophobicContact CD1-CD1 4.43Å; Y189-I271 HydrophobicContact CE1-CD1 3.64Å; Y189-I271 HydrophobicContact CE2-CD1 4.11Å; Y189-I271 VanDerWaalsContact CZ-CD1 3.47Å; Y189-I271 WeakPolarHBondContact OH-CD1 3.32Å; Y189-I271 WeakPolarHBondContact OH-CG2 3.38Å; L245-I271 HydrophobicContact CD2-CD1 4.2Å; R250-I271 PolarHBondContact O-N 2.93Å; I252-I271 HydrophobicContact CB-CD1 3.49Å; I252-I271 VanDerWaalsContact CB-CD1 3.49Å; I252-I271 HydrophobicContact CB-CG1 4.08Å; I252-I271 HydrophobicContact CD1-CD1 4.07Å; I252-I271 HydrophobicContact CG1-CD1 4.37Å; I252-I271 HydrophobicContact CG2-CD1 3.55Å; I252-I271 HydrophobicContact CG2-CG1 3.83Å; I271-H273 WeakPolarHBondContact CG2-CD2 3.37Å; I271-H273 WeakPolarHBondContact CG2-NE2 3.45Å; I271-H273 PolarHBondContact O-N 3.31Å; I271-I276 WeakPolarHBondContact O-CB 3.3Å; I271-L278 HydrophobicContact CG2-CD1 3.91Å; I271-L278 HydrophobicContact CG2-CD2 4.36Å; I271-L278 HydrophobicContact CG2-CG 4.39Å; I271-L282 HydrophobicContact CD1-CD1 3.69Å; I271-L282 HydrophobicContact CG1-CD1 3.53Å; I271-L282 HydrophobicContact CG1-CD2 4.39Å | ||
| 272 | N | 74.4 | Confident | 83.5 | Confident | 20 Ų | 20 | 66 Ų | 66 | 11% | 0.107 | 31% | 0.308 | C | S | . | . | trans | 23.7 | 81.9 | -176 | -166.7 | -32.6 | 0 | 0 | 0 | 114.8 | R250 L270 E274 R275 I276 | R250-N272 HydrophobicContact CG-CB 4.38Å; R250-N272 PolarHBondContact O-N 3.29Å; L270-N272 HydrophobicContact CD1-CB 4.42Å; N272-E274 PolarHBondContact O-N 2.76Å; N272-E274 VanDerWaalsContact O-N 3.13Å; N272-E274 PolarHBondContact OD1-N 2.58Å; N272-R275 PolarHBondContact O-N 3.41Å; N272-R275 PolarHBondContact OD1-N 3.39Å; N272-I276 PolarHBondContact O-N 2.75Å | ||
| 273 | H | 71.5 | Confident | 83.8 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 19% | 0.185 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.2 | -179.1 | -75.7 | -100 | 0 | 0 | 0 | 114.4 | S182 D184 Y189 Y216 I271 R275 L278 | S182-H273 WeakPolarHBondContact CB-NE2 3.31Å; D184-H273 IonicContact OD2-CG 3.89Å; D184-H273 IonicContact OD2-ND1 3.35Å; D184-H273 PolarHBondContact OD2-ND1 3.44Å; Y189-H273 AromaticContact CE2-NE2 3.65Å; Y189-H273 AromaticContact CZ-NE2 3.6Å; Y189-H273 PolarHBondContact OH-CE1 3.21Å; Y189-H273 PolarHBondContact OH-NE2 2.98Å; Y216-H273 AromaticContact CE2-CE1 3.83Å; Y216-H273 AromaticContact CZ-CE1 3.9Å; I271-H273 WeakPolarHBondContact CG2-CD2 3.37Å; I271-H273 WeakPolarHBondContact CG2-NE2 3.45Å; I271-H273 PolarHBondContact O-N 3.31Å; H273-R275 VanDerWaalsContact C-N 3.33Å; H273-L278 WeakPolarHBondContact CE1-CD1 3.21Å |
| 274 | E | 67.3 | Low | 83.7 | Confident | 180 Ų | 180 | 70 Ų | 70 | 84% | 0.841 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -29.7 | 178.2 | -61.7 | -175.2 | 159.7 | 0 | 0 | 112.5 | N272 | N272-E274 PolarHBondContact O-N 2.76Å; N272-E274 VanDerWaalsContact O-N 3.13Å; N272-E274 PolarHBondContact OD1-N 2.58Å |
| 275 | R | 63.3 | Low | 83.5 | Confident | 195 Ų | 195 | 72.8 Ų | 72.8 | 74% | 0.736 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | -28 | -172.6 | -63.2 | -174.9 | -177.9 | -177.1 | -1.8 | 113.6 | N272 H273 | N272-R275 PolarHBondContact O-N 3.41Å; N272-R275 PolarHBondContact OD1-N 3.39Å; H273-R275 VanDerWaalsContact C-N 3.33Å |
| 276 | I | 64.3 | Low | 83.4 | Confident | 68 Ų | 68 | 73.8 Ų | 73.8 | 35% | 0.349 | 34% | 0.342 | S | S | . | . | trans | -123.7 | 113.1 | -172.5 | -56 | 172.7 | 0 | 0 | 0 | 107.5 | L270 I271 N272 L278 | L270-I276 HydrophobicContact CD2-CD1 3.6Å; L270-I276 HydrophobicContact CG-CD1 3.81Å; I271-I276 WeakPolarHBondContact O-CB 3.3Å; N272-I276 PolarHBondContact O-N 2.75Å; I276-L278 PolarHBondContact O-N 3.29Å | ||
| 277 | K | 71.8 | Confident | 83.3 | Confident | 172 Ų | 172 | 74.4 Ų | 74.4 | 75% | 0.748 | 35% | 0.345 | S | S | * | . | trans | -71.7 | 115.9 | 167.7 | -165.8 | 174.5 | -173.9 | 177.9 | 0 | 107.5 | K279 | K277-K279 HydrophobicContact CG-CG 4.48Å; K277-K279 PolarHBondContact O-N 2.91Å; K277-K279 VanDerWaalsContact O-N 3.09Å | ||
| 278 | L | 76.8 | Confident | 83.2 | Confident | 29 Ų | 29 | 74 Ų | 74 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | trans | -57.9 | 116.3 | 171.3 | -74.7 | 121 | 0 | 0 | 0 | 109.1 | Y189 L228 V230 I271 H273 I276 L282 | Y189-L278 HydrophobicContact CE1-CD2 4.44Å; Y189-L278 VanDerWaalsContact OH-CD1 3.23Å; Y189-L278 WeakPolarHBondContact OH-CD1 3.1Å; L228-L278 HydrophobicContact CD2-CB 3.78Å; L228-L278 HydrophobicContact CD2-CD2 4.38Å; V230-L278 HydrophobicContact CG1-CD2 3.73Å; I271-L278 HydrophobicContact CG2-CD1 3.91Å; I271-L278 HydrophobicContact CG2-CD2 4.36Å; I271-L278 HydrophobicContact CG2-CG 4.39Å; H273-L278 WeakPolarHBondContact CE1-CD1 3.21Å; I276-L278 PolarHBondContact O-N 3.29Å; L278-L282 HydrophobicContact CD2-CD2 4.18Å | ||
| 279 | K | 72.9 | Confident | 83.1 | Confident | 178 Ų | 178 | 78 Ų | 78 | 77% | 0.774 | 37% | 0.365 | S | S | * | . | trans | -124 | -1.2 | 179.9 | -72.4 | -175.8 | -178 | -177.2 | 0 | 112.9 | K277 | K277-K279 HydrophobicContact CG-CG 4.48Å; K277-K279 PolarHBondContact O-N 2.91Å; K277-K279 VanDerWaalsContact O-N 3.09Å | ||
| 280 | G | 80.8 | Confident | 83 | Confident | 29 Ų | 29 | 84.4 Ų | 84.4 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 173.9 | -161.7 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 281 | R | 89.7 | Confident | 83.2 | Confident | 177 Ų | 177 | 84.5 Ų | 84.5 | 67% | 0.668 | 39% | 0.392 | S | S | * | . | trans | -63.9 | 136.4 | 179.3 | -66.8 | -175 | 176.9 | -176.8 | -2.5 | 111.9 | V230 | V230-R281 CarbonylContact O-C 3.58Å; V230-R281 VanDerWaalsContact O-CA 3.29Å; V230-R281 WeakPolarHBondContact O-CA 3.44Å | ||
| 282 | L | 90.6 | Very high | 83.6 | Confident | 27 Ų | 27 | 88 Ų | 88 | 14% | 0.141 | 41% | 0.411 | C | S | . | . | trans | -78.8 | 144 | 172.5 | -61 | 174.3 | 0 | 0 | 0 | 110 | V230 I252 L270 I271 L278 M284 | V230-L282 HydrophobicContact CB-CD1 4.04Å; V230-L282 HydrophobicContact CB-CG 4.15Å; V230-L282 HydrophobicContact CG2-CD1 4.43Å; V230-L282 PolarHBondContact O-N 3.47Å; I252-L282 HydrophobicContact CG2-CD1 4Å; L270-L282 WeakPolarHBondContact O-CD2 3.33Å; I271-L282 HydrophobicContact CD1-CD1 3.69Å; I271-L282 HydrophobicContact CG1-CD1 3.53Å; I271-L282 HydrophobicContact CG1-CD2 4.39Å; L278-L282 HydrophobicContact CD2-CD2 4.18Å; L282-M284 HydrophobicContact CB-SD 4.05Å; L282-M284 HydrophobicContact CD1-SD 4.43Å; L282-M284 PolarHBondContact O-N 3.31Å | ||
| 283 | K | 90.4 | Very high | 84.6 | Confident | 176 Ų | 176 | 87.2 Ų | 87.2 | 77% | 0.765 | 41% | 0.407 | S | S | * | . | trans | -76.3 | 105.7 | 163.2 | -176.9 | 177.6 | 178.8 | -179.1 | 0 | 107.9 | I285 | K283-I285 HydrophobicContact CG-CG1 4.46Š| ||
| 284 | M | 93.6 | Very high | 85.8 | Confident | 28 Ų | 28 | 89.2 Ų | 89.2 | 14% | 0.138 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 137 | 174.8 | -61.1 | -59.4 | -72.3 | 0 | 0 | 110.1 | W231 I252 V254 I267 F268 G269 L282 | W231-M284 HydrophobicContact CB-CG 3.98Å; W231-M284 HydrophobicContact CD2-CB 4.49Å; W231-M284 HydrophobicContact CD2-CG 3.77Å; W231-M284 HydrophobicContact CG-CB 4.38Å; W231-M284 HydrophobicContact CG-CG 3.36Å; W231-M284 HydrophobicContact CG-SD 4.41Å; I252-M284 HydrophobicContact CG2-CE 4.08Å; I252-M284 HydrophobicContact CG2-SD 4.13Å; V254-M284 HydrophobicContact CB-CE 4.33Å; V254-M284 HydrophobicContact CG2-CE 3.5Å; V254-M284 VanDerWaalsContact CG2-CE 3.5Å; I267-M284 HydrophobicContact CG2-CB 3.69Å; I267-M284 HydrophobicContact CG2-CE 4.07Å; F268-M284 CarbonylContact O-C 3.56Å; F268-M284 WeakPolarHBondContact O-CA 3.46Å; G269-M284 VanDerWaalsContact CA-SD 3.53Å; L282-M284 HydrophobicContact CB-SD 4.05Å; L282-M284 HydrophobicContact CD1-SD 4.43Å; L282-M284 PolarHBondContact O-N 3.31Å |
| 285 | I | 93.5 | Very high | 87.2 | Confident | 66 Ų | 66 | 80.9 Ų | 80.9 | 34% | 0.338 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.2 | -174.9 | -57.5 | 172.7 | 0 | 0 | 0 | 107.9 | I267 F268 K283 | I267-I285 WeakPolarHBondContact CA-O 3.36Å; I267-I285 WeakPolarHBondContact CG2-O 3.46Å; F268-I285 HydrophobicContact CD1-CB 4.18Å; F268-I285 WeakPolarHBondContact CD1-O 3.31Å; F268-I285 HydrophobicContact CE1-CB 3.69Å; F268-I285 HydrophobicContact CE1-CG2 3.82Å; F268-I285 HydrophobicContact CZ-CB 4.08Å; F268-I285 HydrophobicContact CZ-CD1 4.18Å; F268-I285 HydrophobicContact CZ-CG2 4.29Å; F268-I285 PolarHBondContact N-O 3.05Å; F268-I285 PolarHBondContact O-N 3.02Å; K283-I285 HydrophobicContact CG-CG1 4.46Å |
| 286 | P | 93.5 | Very high | 88.8 | Confident | 62 Ų | 62 | 76.7 Ų | 76.7 | 40% | 0.403 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 137.2 | 174.5 | 28.6 | -32.6 | 0 | 0 | 0 | 110.6 | D289 | P286-D289 HydrophobicContact CB-CB 3.97Å |
| 287 | I | 93.7 | Very high | 90.3 | Very high | 14 Ų | 14 | 74.1 Ų | 74.1 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -42 | 163.8 | -65.7 | 159 | 0 | 0 | 0 | 108.9 | L266 F268 F305 I307 V321 | L266-I287 PolarHBondContact O-N 3.45Å; F268-I287 HydrophobicContact CB-CD1 4.26Å; F268-I287 HydrophobicContact CD1-CD1 3.42Å; F268-I287 VanDerWaalsContact CD1-CD1 3.42Å; F268-I287 HydrophobicContact CD1-CG1 3.48Å; F268-I287 VanDerWaalsContact CD1-CG1 3.48Å; F268-I287 HydrophobicContact CE1-CD1 4Å; F268-I287 HydrophobicContact CE1-CG1 3.69Å; F268-I287 HydrophobicContact CG-CD1 4.06Å; I287-F305 HydrophobicContact CD1-CD2 3.33Å; I287-F305 HydrophobicContact CD1-CE2 3.46Å; I287-F305 VanDerWaalsContact CD1-CE2 3.46Å; I287-F305 HydrophobicContact CD1-CG 4.47Å; I287-I307 HydrophobicContact CG2-CD1 4.2Å; I287-V321 HydrophobicContact CG2-CG1 4.17Å |
| 288 | V | 93.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 66.6 Ų | 66.6 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 118 | 174.3 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | K265 L266 E290 Y295 W331 | K265-V288 WeakPolarHBondContact CA-O 3.29Å; K265-V288 VanDerWaalsContact CB-O 3.31Å; K265-V288 WeakPolarHBondContact CB-O 3.45Å; L266-V288 HydrophobicContact CB-CB 4.33Å; L266-V288 HydrophobicContact CB-CG2 4.4Å; L266-V288 PolarHBondContact N-O 2.91Å; L266-V288 VanDerWaalsContact N-O 3.07Å; L266-V288 PolarHBondContact O-N 3.09Å; L266-V288 VanDerWaalsContact O-N 3.08Å; V288-E290 WeakPolarHBondContact CG1-O 3.22Å; V288-Y295 HydrophobicContact CB-CD2 4.37Å; V288-Y295 HydrophobicContact CB-CE2 4.33Å; V288-Y295 HydrophobicContact CG1-CD2 3.8Å; V288-Y295 HydrophobicContact CG1-CE1 4.49Å; V288-Y295 HydrophobicContact CG1-CE2 3.4Å; V288-Y295 VanDerWaalsContact CG1-CE2 3.4Å; V288-Y295 HydrophobicContact CG1-CG 4.48Å; V288-Y295 HydrophobicContact CG2-CD1 3.89Å; V288-Y295 HydrophobicContact CG2-CD2 4.15Å; V288-Y295 HydrophobicContact CG2-CE1 3.9Å; V288-Y295 HydrophobicContact CG2-CE2 4.17Å; V288-Y295 HydrophobicContact CG2-CG 3.99Å; V288-W331 HydrophobicContact CG2-CH2 3.96Å; V288-W331 HydrophobicContact CG2-CZ2 4.36Å |
| 289 | D | 92.7 | Very high | 92.3 | Very high | 95 Ų | 95 | 65.2 Ų | 65.2 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | trans | -113.5 | 15.5 | -179.9 | -158.1 | 14.1 | 0 | 0 | 0 | 113.4 | K265 P286 | K265-D289 VanDerWaalsContact CE-C 3.46Å; K265-D289 WeakPolarHBondContact CE-O 3.43Å; K265-D289 PolarHBondContact NZ-O 3.18Å; K265-D289 IonicContact NZ-OD1 3.27Å; K265-D289 PolarHBondContact NZ-OD1 3.44Å; P286-D289 HydrophobicContact CB-CB 3.97Å | ||
| 290 | E | 92.2 | Very high | 93.3 | Very high | 135 Ų | 135 | 56.7 Ų | 56.7 | 63% | 0.631 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -126.7 | 155.2 | 178.4 | -62.3 | -171.9 | -175.7 | 0 | 0 | 110.7 | V288 D292 | V288-E290 WeakPolarHBondContact CG1-O 3.22Å; E290-D292 VanDerWaalsContact C-N 3.32Å; E290-D292 HydrophobicContact CB-CB 4.46Å; E290-D292 PolarHBondContact O-N 3Å |
| 291 | F | 94 | Very high | 93.6 | Very high | 77 Ų | 77 | 56.6 Ų | 56.6 | 34% | 0.338 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -97.7 | 52 | 174.5 | -69.4 | -70.1 | 0 | 0 | 0 | 110.4 | L256 N258 Q263 K265 | L256-F291 WeakPolarHBondContact O-CE1 3.43Å; N258-F291 HydrophobicContact CB-CD1 3.64Å; N258-F291 HydrophobicContact CB-CE1 3.83Å; N258-F291 HydrophobicContact CB-CG 4.13Å; N258-F291 HydrophobicContact CB-CZ 4.48Å; N258-F291 WeakPolarHBondContact ND2-CG 3.45Å; Q263-F291 HydrophobicContact CB-CB 4.09Å; Q263-F291 HydrophobicContact CB-CD1 4.41Å; Q263-F291 WeakPolarHBondContact CG-O 3.36Å; K265-F291 HydrophobicContact CD-CE2 4.23Å; K265-F291 HydrophobicContact CD-CZ 4.14Å; K265-F291 HydrophobicContact CG-CD1 4.2Å; K265-F291 HydrophobicContact CG-CE1 3.94Å; K265-F291 HydrophobicContact CG-CE2 4.36Å; K265-F291 HydrophobicContact CG-CZ 4.02Å |
| 292 | D | 94.2 | Very high | 93.4 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -90.4 | -29.2 | -174.8 | 65.4 | -21.6 | 0 | 0 | 0 | 113 | E290 Y295 L311 | E290-D292 VanDerWaalsContact C-N 3.32Å; E290-D292 HydrophobicContact CB-CB 4.46Å; E290-D292 PolarHBondContact O-N 3Å; D292-Y295 VanDerWaalsContact CG-OH 3.22Å; D292-Y295 VanDerWaalsContact OD1-CE2 3.23Å; D292-Y295 WeakPolarHBondContact OD1-CE2 3.27Å; D292-Y295 PolarHBondContact OD1-OH 3.05Å; D292-Y295 PolarHBondContact OD2-OH 2.84Å; D292-Y295 VanDerWaalsContact OD2-OH 3.08Å; D292-L311 WeakPolarHBondContact OD2-CD1 3.22Å |
| 293 | A | 95.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -151.9 | 178.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q263 N264 Y295 D310 L311 | Q263-A293 VanDerWaalsContact CA-O 3.23Å; Q263-A293 WeakPolarHBondContact CA-O 3.24Å; Q263-A293 VanDerWaalsContact CB-O 3.24Å; Q263-A293 WeakPolarHBondContact CB-O 3.29Å; N264-A293 PolarHBondContact N-O 2.89Å; N264-A293 VanDerWaalsContact N-O 3.15Å; A293-Y295 HydrophobicContact CB-CE2 3.73Å; A293-Y295 WeakPolarHBondContact O-CD2 3.46Å; A293-Y295 WeakPolarHBondContact O-CE2 3.46Å; A293-D310 WeakPolarHBondContact CB-OD1 3.48Å; A293-L311 HydrophobicContact CB-CB 3.62Å; A293-L311 HydrophobicContact CB-CD1 3.91Å; A293-L311 HydrophobicContact CB-CG 4.37Å |
| 294 | K | 96.5 | Very high | 93.5 | Very high | 82 Ų | 82 | 44.3 Ų | 44.3 | 36% | 0.357 | 23% | 0.229 | S | C | . | . | trans | -87 | 141.3 | 169 | -58.8 | -179.6 | -170 | -177.8 | 0 | 109.2 | S262 N264 T309 D310 | S262-K294 WeakPolarHBondContact O-CG 3.41Å; S262-K294 WeakPolarHBondContact OG-CE 3.42Å; S262-K294 PolarHBondContact OG-NZ 3.17Å; N264-K294 WeakPolarHBondContact OD1-CA 3.48Å; K294-T309 WeakPolarHBondContact O-CA 3.33Å; K294-T309 WeakPolarHBondContact O-CB 3.46Å; K294-T309 PolarHBondContact O-OG1 2.66Å; K294-D310 WeakPolarHBondContact CB-OD1 3.35Å; K294-D310 VanDerWaalsContact CD-OD2 3.3Å; K294-D310 WeakPolarHBondContact CD-OD2 3.33Å; K294-D310 WeakPolarHBondContact CE-OD2 3.5Å; K294-D310 WeakPolarHBondContact CG-OD2 3.35Å; K294-D310 PolarHBondContact N-OD1 2.86Å | ||
| 295 | Y | 97 | Very high | 93.6 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 112.7 | 177.2 | -57.5 | -88.8 | 0 | 0 | 0 | 109.2 | N264 L266 V288 D292 A293 I307 M308 T309 W331 | N264-Y295 PolarHBondContact ND2-O 3.46Å; N264-Y295 WeakPolarHBondContact O-CD2 3.25Å; N264-Y295 PolarHBondContact OD1-N 2.91Å; N264-Y295 PolarHBondContact OD1-O 2.88Å; L266-Y295 VanDerWaalsContact CD1-CB 3.43Å; L266-Y295 HydrophobicContact CD1-CG 4.44Å; V288-Y295 HydrophobicContact CB-CD2 4.37Å; V288-Y295 HydrophobicContact CB-CE2 4.33Å; V288-Y295 HydrophobicContact CG1-CD2 3.8Å; V288-Y295 HydrophobicContact CG1-CE1 4.49Å; V288-Y295 HydrophobicContact CG1-CE2 3.4Å; V288-Y295 VanDerWaalsContact CG1-CE2 3.4Å; V288-Y295 HydrophobicContact CG1-CG 4.48Å; V288-Y295 HydrophobicContact CG2-CD1 3.89Å; V288-Y295 HydrophobicContact CG2-CD2 4.15Å; V288-Y295 HydrophobicContact CG2-CE1 3.9Å; V288-Y295 HydrophobicContact CG2-CE2 4.17Å; V288-Y295 HydrophobicContact CG2-CG 3.99Å; D292-Y295 VanDerWaalsContact CG-OH 3.22Å; D292-Y295 VanDerWaalsContact OD1-CE2 3.23Å; D292-Y295 WeakPolarHBondContact OD1-CE2 3.27Å; D292-Y295 PolarHBondContact OD1-OH 3.05Å; D292-Y295 PolarHBondContact OD2-OH 2.84Å; D292-Y295 VanDerWaalsContact OD2-OH 3.08Å; A293-Y295 HydrophobicContact CB-CE2 3.73Å; A293-Y295 WeakPolarHBondContact O-CD2 3.46Å; A293-Y295 WeakPolarHBondContact O-CE2 3.46Å; Y295-I307 HydrophobicContact CD1-CG2 4.07Å; Y295-I307 HydrophobicContact CG-CG2 4.47Å; Y295-M308 CarbonylContact C-O 3.55Å; Y295-M308 WeakPolarHBondContact CA-O 3.19Å; Y295-T309 HydrophobicContact CD1-CG2 4.5Å; Y295-T309 WeakPolarHBondContact CD1-OG1 3.42Å; Y295-T309 HydrophobicContact CE1-CG2 4.47Å; Y295-T309 WeakPolarHBondContact CE1-OG1 3.43Å; Y295-W331 HydrophobicContact CE1-CH2 4.33Å; Y295-W331 HydrophobicContact CE1-CZ3 4.13Å |
| 296 | K | 96.7 | Very high | 93.8 | Very high | 107 Ų | 107 | 39.9 Ų | 39.9 | 47% | 0.465 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 115.4 | 175.7 | -175.9 | -178.9 | -178 | -179.9 | 0 | 109.1 | I298 I307 M308 | K296-I298 PolarHBondContact O-N 2.88Å; K296-I307 CarbonylContact O-C 3.57Å; K296-I307 WeakPolarHBondContact O-CA 3.23Å; K296-M308 HydrophobicContact CB-CB 4.35Å; K296-M308 HydrophobicContact CB-CE 4.34Å; K296-M308 HydrophobicContact CD-CE 3.92Å; K296-M308 PolarHBondContact N-O 2.92Å; K296-M308 PolarHBondContact O-N 3.35Å |
| 297 | F | 96.6 | Very high | 94 | Very high | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 131.8 | 171.7 | -176.8 | -102.9 | 0 | 0 | 0 | 109.8 | D246 I253 G299 F305 I307 | D246-F297 HydrophobicContact CB-CE1 4.14Å; D246-F297 HydrophobicContact CB-CZ 3.88Å; I253-F297 HydrophobicContact CD1-CD2 4.32Å; I253-F297 HydrophobicContact CD1-CE2 3.98Å; I253-F297 HydrophobicContact CD1-CZ 4.09Å; I253-F297 HydrophobicContact CG1-CD1 3.94Å; I253-F297 HydrophobicContact CG1-CD2 4.17Å; I253-F297 HydrophobicContact CG1-CE1 3.84Å; I253-F297 HydrophobicContact CG1-CE2 4.06Å; I253-F297 HydrophobicContact CG1-CG 4.1Å; I253-F297 HydrophobicContact CG1-CZ 3.89Å; I253-F297 HydrophobicContact CG2-CB 4.14Å; I253-F297 HydrophobicContact CG2-CD2 4.39Å; I253-F297 HydrophobicContact CG2-CG 4.14Å; F297-G299 WeakPolarHBondContact CE2-O 3.3Å; F297-G299 VanDerWaalsContact CZ-CA 3.5Å; F297-F305 HydrophobicContact CD2-CD2 4.12Å; F297-F305 HydrophobicContact CD2-CG 4.5Å; F297-F305 HydrophobicContact CE2-CB 4.17Å; F297-F305 HydrophobicContact CE2-CD1 4.25Å; F297-F305 AromaticContact CE2-CD2 3.65Å; F297-F305 HydrophobicContact CE2-CD2 3.65Å; F297-F305 HydrophobicContact CE2-CE2 4.07Å; F297-F305 AromaticContact CE2-CG 3.78Å; F297-F305 HydrophobicContact CE2-CG 3.78Å; F297-I307 HydrophobicContact CD2-CG1 4.49Å |
| 298 | I | 95.7 | Very high | 94.2 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -37.9 | 178.7 | -58.2 | 159.9 | 0 | 0 | 0 | 110.4 | K296 Y306 M308 I318 A346 C348 L354 | K296-I298 PolarHBondContact O-N 2.88Å; I298-Y306 WeakPolarHBondContact CB-O 2.92Å; I298-Y306 PolarHBondContact N-O 3.21Å; I298-M308 HydrophobicContact CD1-CB 3.97Å; I298-M308 HydrophobicContact CG1-CB 4.29Å; I298-I318 HydrophobicContact CD1-CB 4.4Å; I298-I318 HydrophobicContact CD1-CD1 3.8Å; I298-I318 HydrophobicContact CD1-CG1 3.96Å; I298-I318 HydrophobicContact CD1-CG2 3.66Å; I298-A346 HydrophobicContact CD1-CB 3.71Å; I298-A346 HydrophobicContact CG1-CB 3.97Å; I298-A346 HydrophobicContact CG2-CB 4.09Å; I298-C348 PolarHBondContact O-SG 3.4Å; I298-L354 HydrophobicContact CG2-CD1 3.85Å |
| 299 | G | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.3 | 178.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | E247 F297 Y306 | E247-G299 WeakPolarHBondContact OE1-CA 3.47Å; E247-G299 WeakPolarHBondContact OE2-CA 3.23Å; F297-G299 WeakPolarHBondContact CE2-O 3.3Å; F297-G299 VanDerWaalsContact CZ-CA 3.5Å; G299-Y306 PolarHBondContact N-O 3.31Å; G299-Y306 WeakPolarHBondContact O-CD2 3.25Å; G299-Y306 PolarHBondContact O-N 3.47Å |
| 300 | S | 93.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155.4 | 177.7 | 78 | 0 | 0 | 0 | 0 | 114.5 | D246 E247 D304 W371 | D246-S300 VanDerWaalsContact CB-OG 3.31Å; D246-S300 WeakPolarHBondContact CB-OG 3.26Å; D246-S300 PolarHBondContact OD2-OG 3.1Å; E247-S300 PolarHBondContact OE2-N 3.25Å; S300-D304 CarbonylContact C-O 3.45Å; S300-D304 VanDerWaalsContact CA-O 3.27Å; S300-D304 WeakPolarHBondContact CA-O 3.43Å; S300-W371 VanDerWaalsContact O-CH2 3.22Å; S300-W371 WeakPolarHBondContact O-CH2 3.11Å; S300-W371 VanDerWaalsContact O-CZ2 3.29Å; S300-W371 WeakPolarHBondContact O-CZ2 3.08Å |
| 301 | T | 87.5 | Confident | 94.6 | Very high | 27 Ų | 27 | 30.1 Ų | 30.1 | 17% | 0.166 | 16% | 0.155 | C | C | . | . | trans | -101 | -160.9 | 159.5 | 63.6 | 0 | 0 | 0 | 0 | 109.3 | T303 D304 Y306 W371 N372 | T301-T303 VanDerWaalsContact C-N 3.25Å; T301-T303 PolarHBondContact O-N 3.28Å; T301-D304 PolarHBondContact N-O 3.29Å; T301-D304 WeakPolarHBondContact OG1-CB 3.45Å; T301-D304 PolarHBondContact OG1-N 3.1Å; T301-D304 PolarHBondContact OG1-O 3.01Å; T301-Y306 HydrophobicContact CG2-CE2 3.86Å; T301-W371 HydrophobicContact CG2-CH2 4.3Å; T301-W371 HydrophobicContact CG2-CZ2 4.27Å; T301-N372 WeakPolarHBondContact CG2-OD1 3.32Å | ||
| 302 | S | 85.1 | Confident | 94.6 | Very high | 70 Ų | 70 | 32.1 Ų | 32.1 | 49% | 0.49 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -61.5 | -30 | -178 | 74 | 0 | 0 | 0 | 0 | 114.7 | Y251 | Y251-S302 PolarHBondContact OH-O 3.37Š|
| 303 | T | 89.3 | Confident | 94.6 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 16% | 0.16 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -138.3 | -14.6 | -177.8 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | T301 I323 K324 | T301-T303 VanDerWaalsContact C-N 3.25Å; T301-T303 PolarHBondContact O-N 3.28Å; T303-I323 WeakPolarHBondContact O-CG1 3.5Å; T303-I323 PolarHBondContact O-N 3.24Å; T303-K324 HydrophobicContact CG2-CD 4.27Å |
| 304 | D | 94.3 | Very high | 94.3 | Very high | 26 Ų | 26 | 32.5 Ų | 32.5 | 14% | 0.139 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.8 | -172.9 | -53.5 | -25.1 | 0 | 0 | 0 | 109.7 | S300 T301 Y306 K320 V321 | S300-D304 CarbonylContact C-O 3.45Å; S300-D304 VanDerWaalsContact CA-O 3.27Å; S300-D304 WeakPolarHBondContact CA-O 3.43Å; T301-D304 PolarHBondContact N-O 3.29Å; T301-D304 WeakPolarHBondContact OG1-CB 3.45Å; T301-D304 PolarHBondContact OG1-N 3.1Å; T301-D304 PolarHBondContact OG1-O 3.01Å; D304-Y306 HydrophobicContact CB-CE2 4.35Å; D304-K320 HydrophobicContact CB-CD 4.46Å; D304-K320 HydrophobicContact CB-CG 4.05Å; D304-K320 WeakPolarHBondContact OD2-CE 3.35Å; D304-K320 IonicContact OD2-NZ 3.82Å; D304-K320 PolarHBondContact OD2-NZ 2.79Å; D304-V321 CarbonylContact C-O 3.59Å; D304-V321 WeakPolarHBondContact CA-O 3.21Å |
| 305 | F | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 139.7 | 173.7 | -78.2 | 18.2 | 0 | 0 | 0 | 109.5 | Y251 I253 F268 I287 F297 I307 K320 V321 I323 | Y251-F305 HydrophobicContact CD1-CZ 4.34Å; Y251-F305 AromaticContact CD2-CE1 3.57Å; Y251-F305 HydrophobicContact CD2-CE1 3.57Å; Y251-F305 AromaticContact CD2-CZ 3.79Å; Y251-F305 HydrophobicContact CD2-CZ 3.79Å; Y251-F305 AromaticContact CE2-CE1 3.82Å; Y251-F305 HydrophobicContact CE2-CE1 3.82Å; Y251-F305 HydrophobicContact CE2-CZ 4.36Å; Y251-F305 HydrophobicContact CG-CE1 4.05Å; Y251-F305 AromaticContact CG-CZ 3.77Å; Y251-F305 HydrophobicContact CG-CZ 3.77Å; I253-F305 HydrophobicContact CD1-CD2 4.23Å; I253-F305 HydrophobicContact CD1-CE2 3.32Å; I253-F305 HydrophobicContact CD1-CZ 3.64Å; F268-F305 HydrophobicContact CB-CE2 3.86Å; F268-F305 HydrophobicContact CB-CZ 4.23Å; F268-F305 HydrophobicContact CD1-CE2 4.39Å; F268-F305 HydrophobicContact CD2-CE2 4.21Å; F268-F305 AromaticContact CD2-CZ 3.95Å; F268-F305 HydrophobicContact CD2-CZ 3.95Å; F268-F305 AromaticContact CG-CE2 3.9Å; F268-F305 HydrophobicContact CG-CE2 3.9Å; F268-F305 HydrophobicContact CG-CZ 4.11Å; I287-F305 HydrophobicContact CD1-CD2 3.33Å; I287-F305 HydrophobicContact CD1-CE2 3.46Å; I287-F305 VanDerWaalsContact CD1-CE2 3.46Å; I287-F305 HydrophobicContact CD1-CG 4.47Å; F297-F305 HydrophobicContact CD2-CD2 4.12Å; F297-F305 HydrophobicContact CD2-CG 4.5Å; F297-F305 HydrophobicContact CE2-CB 4.17Å; F297-F305 HydrophobicContact CE2-CD1 4.25Å; F297-F305 AromaticContact CE2-CD2 3.65Å; F297-F305 HydrophobicContact CE2-CD2 3.65Å; F297-F305 HydrophobicContact CE2-CE2 4.07Å; F297-F305 AromaticContact CE2-CG 3.78Å; F297-F305 HydrophobicContact CE2-CG 3.78Å; F305-I307 HydrophobicContact CB-CD1 4.44Å; F305-K320 CarbonylContact O-C 3.49Å; F305-K320 WeakPolarHBondContact O-CA 3.46Å; F305-V321 PolarHBondContact N-O 3.02Å; F305-V321 PolarHBondContact O-N 2.95Å; F305-I323 HydrophobicContact CB-CG2 4.41Å; F305-I323 HydrophobicContact CD1-CG2 3.56Å; F305-I323 HydrophobicContact CD2-CG2 4Å; F305-I323 HydrophobicContact CE1-CD1 4.2Å; F305-I323 HydrophobicContact CE1-CG2 3.73Å; F305-I323 HydrophobicContact CE2-CG2 4.1Å; F305-I323 HydrophobicContact CG-CG2 3.71Å; F305-I323 HydrophobicContact CZ-CG2 3.99Å |
| 306 | Y | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.1 | 178.2 | -58.8 | -87.5 | 0 | 0 | 0 | 108.6 | I298 G299 T301 D304 I319 K320 L334 W371 N372 | I298-Y306 WeakPolarHBondContact CB-O 2.92Å; I298-Y306 PolarHBondContact N-O 3.21Å; G299-Y306 PolarHBondContact N-O 3.31Å; G299-Y306 WeakPolarHBondContact O-CD2 3.25Å; G299-Y306 PolarHBondContact O-N 3.47Å; T301-Y306 HydrophobicContact CG2-CE2 3.86Å; D304-Y306 HydrophobicContact CB-CE2 4.35Å; Y306-I319 WeakPolarHBondContact CA-O 3.44Å; Y306-K320 HydrophobicContact CD1-CB 4.28Å; Y306-K320 HydrophobicContact CD1-CG 4.31Å; Y306-K320 HydrophobicContact CE1-CB 4.21Å; Y306-K320 HydrophobicContact CE1-CD 4.01Å; Y306-K320 HydrophobicContact CE1-CG 3.87Å; Y306-L334 HydrophobicContact CD1-CD2 3.48Å; Y306-L334 VanDerWaalsContact CD1-CD2 3.48Å; Y306-L334 HydrophobicContact CE1-CD1 4.15Å; Y306-L334 HydrophobicContact CE1-CD2 3.68Å; Y306-L334 HydrophobicContact CE1-CG 4.47Å; Y306-W371 AromaticContact CD2-CD1 3.96Å; Y306-W371 AromaticContact CD2-CE2 3.92Å; Y306-W371 HydrophobicContact CD2-CZ2 4.28Å; Y306-W371 AromaticContact CD2-NE1 3.13Å; Y306-W371 WeakPolarHBondContact CE1-O 3.5Å; Y306-W371 AromaticContact CE2-CD1 3.91Å; Y306-W371 AromaticContact CE2-CE2 3.83Å; Y306-W371 HydrophobicContact CE2-CZ2 4.26Å; Y306-W371 AromaticContact CE2-NE1 3.28Å; Y306-W371 VanDerWaalsContact CE2-NE1 3.28Å; Y306-W371 AromaticContact CG-NE1 3.62Å; Y306-W371 AromaticContact CZ-NE1 3.86Å; Y306-N372 PolarHBondContact OH-OD1 3.07Å |
| 307 | I | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.9 | -170.1 | -59.5 | 168.5 | 0 | 0 | 0 | 108.4 | L266 I287 Y295 K296 F297 F305 I318 I319 V321 | L266-I307 HydrophobicContact CD1-CD1 3.92Å; L266-I307 HydrophobicContact CD1-CG1 4.33Å; L266-I307 HydrophobicContact CD1-CG2 4.01Å; I287-I307 HydrophobicContact CG2-CD1 4.2Å; Y295-I307 HydrophobicContact CD1-CG2 4.07Å; Y295-I307 HydrophobicContact CG-CG2 4.47Å; K296-I307 CarbonylContact O-C 3.57Å; K296-I307 WeakPolarHBondContact O-CA 3.23Å; F297-I307 HydrophobicContact CD2-CG1 4.49Å; F305-I307 HydrophobicContact CB-CD1 4.44Å; I307-I318 CarbonylContact O-C 3.58Å; I307-I318 WeakPolarHBondContact O-CA 3.32Å; I307-I319 HydrophobicContact CB-CD1 4.35Å; I307-I319 HydrophobicContact CB-CG1 3.9Å; I307-I319 PolarHBondContact N-O 3.46Å; I307-I319 WeakPolarHBondContact O-CG1 3.24Å; I307-I319 PolarHBondContact O-N 3.44Å; I307-V321 HydrophobicContact CD1-CG2 4.2Å |
| 308 | M | 97.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 25.9 Ų | 25.9 | 9% | 0.089 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 132.5 | 168.9 | -174 | 171.5 | 71.3 | 0 | 0 | 109.4 | Y295 K296 I298 N316 K317 L343 | Y295-M308 CarbonylContact C-O 3.55Å; Y295-M308 WeakPolarHBondContact CA-O 3.19Å; K296-M308 HydrophobicContact CB-CB 4.35Å; K296-M308 HydrophobicContact CB-CE 4.34Å; K296-M308 HydrophobicContact CD-CE 3.92Å; K296-M308 PolarHBondContact N-O 2.92Å; K296-M308 PolarHBondContact O-N 3.35Å; I298-M308 HydrophobicContact CD1-CB 3.97Å; I298-M308 HydrophobicContact CG1-CB 4.29Å; M308-N316 HydrophobicContact CG-CB 3.89Å; M308-N316 HydrophobicContact SD-CB 4.31Å; M308-K317 CarbonylContact C-O 3.52Å; M308-K317 VanDerWaalsContact CA-O 3.32Å; M308-K317 WeakPolarHBondContact CA-O 3.4Å; M308-L343 HydrophobicContact CG-CD2 3.78Å; M308-L343 HydrophobicContact CG-CG 4.4Å; M308-L343 HydrophobicContact SD-CD1 4.4Å; M308-L343 HydrophobicContact SD-CD2 3.61Å; M308-L343 HydrophobicContact SD-CG 3.6Å |
| 309 | T | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 150.1 | -178.3 | -178 | 0 | 0 | 0 | 0 | 113.2 | K294 Y295 L311 N316 K317 I319 | K294-T309 WeakPolarHBondContact O-CA 3.33Å; K294-T309 WeakPolarHBondContact O-CB 3.46Å; K294-T309 PolarHBondContact O-OG1 2.66Å; Y295-T309 HydrophobicContact CD1-CG2 4.5Å; Y295-T309 WeakPolarHBondContact CD1-OG1 3.42Å; Y295-T309 HydrophobicContact CE1-CG2 4.47Å; Y295-T309 WeakPolarHBondContact CE1-OG1 3.43Å; T309-L311 HydrophobicContact CG2-CB 4.19Å; T309-L311 WeakPolarHBondContact OG1-CB 3.39Å; T309-L311 PolarHBondContact OG1-N 3.02Å; T309-N316 CarbonylContact O-C 3.57Å; T309-N316 WeakPolarHBondContact O-CA 3.46Å; T309-K317 HydrophobicContact CG2-CG 3.91Å; T309-K317 PolarHBondContact N-O 2.8Å; T309-K317 PolarHBondContact O-N 2.97Å; T309-I319 HydrophobicContact CG2-CD1 4.18Å; T309-I319 HydrophobicContact CG2-CG1 4.26Å; T309-I319 HydrophobicContact CG2-CG2 4.04Å |
| 310 | D | 95.4 | Very high | 94.5 | Very high | 45 Ų | 45 | 27.1 Ų | 27.1 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | trans | -93.7 | 7.5 | 169 | 62.9 | 0.4 | 0 | 0 | 0 | 113.6 | A293 K294 S312 A313 N316 | A293-D310 WeakPolarHBondContact CB-OD1 3.48Å; K294-D310 WeakPolarHBondContact CB-OD1 3.35Å; K294-D310 VanDerWaalsContact CD-OD2 3.3Å; K294-D310 WeakPolarHBondContact CD-OD2 3.33Å; K294-D310 WeakPolarHBondContact CE-OD2 3.5Å; K294-D310 WeakPolarHBondContact CG-OD2 3.35Å; K294-D310 PolarHBondContact N-OD1 2.86Å; D310-S312 PolarHBondContact O-N 3.01Å; D310-A313 VanDerWaalsContact CA-O 3.24Å; D310-A313 WeakPolarHBondContact CA-O 3.41Å; D310-A313 CarbonylContact O-C 3.59Å; D310-A313 PolarHBondContact O-N 3.29Å; D310-N316 WeakPolarHBondContact CB-OD1 3.43Å; D310-N316 PolarHBondContact N-OD1 2.96Å | ||
| 311 | L | 95.3 | Very high | 94.6 | Very high | 45 Ų | 45 | 27.1 Ų | 27.1 | 24% | 0.236 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 111.8 | 177.3 | -177 | 66.8 | 0 | 0 | 0 | 111 | D292 A293 T309 A313 K317 W331 | D292-L311 WeakPolarHBondContact OD2-CD1 3.22Å; A293-L311 HydrophobicContact CB-CB 3.62Å; A293-L311 HydrophobicContact CB-CD1 3.91Å; A293-L311 HydrophobicContact CB-CG 4.37Å; T309-L311 HydrophobicContact CG2-CB 4.19Å; T309-L311 WeakPolarHBondContact OG1-CB 3.39Å; T309-L311 PolarHBondContact OG1-N 3.02Å; L311-A313 PolarHBondContact O-N 3.28Å; L311-K317 WeakPolarHBondContact O-CE 3.46Å; L311-W331 HydrophobicContact CD2-CZ3 4.01Å |
| 312 | S | 93 | Very high | 94.9 | Very high | 118 Ų | 118 | 28.7 Ų | 28.7 | 83% | 0.825 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 25.2 | -173.1 | -58.4 | 0 | 0 | 0 | 0 | 113.7 | D310 | D310-S312 PolarHBondContact O-N 3.01Š|
| 313 | A | 94.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | trans | -146.8 | 77.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D310 L311 F315 N316 K317 H337 | D310-A313 VanDerWaalsContact CA-O 3.24Å; D310-A313 WeakPolarHBondContact CA-O 3.41Å; D310-A313 CarbonylContact O-C 3.59Å; D310-A313 PolarHBondContact O-N 3.29Å; L311-A313 PolarHBondContact O-N 3.28Å; A313-F315 PolarHBondContact O-N 2.9Å; A313-N316 VanDerWaalsContact O-CA 3.3Å; A313-N316 WeakPolarHBondContact O-CA 3.41Å; A313-N316 PolarHBondContact O-N 2.73Å; A313-K317 HydrophobicContact CB-CB 4.13Å; A313-K317 HydrophobicContact CB-CD 3.99Å; A313-K317 HydrophobicContact CB-CG 3.75Å; A313-H337 HydrophobicContact CB-CB 3.75Å | ||
| 314 | P | 90.3 | Very high | 95.3 | Very high | 85 Ų | 85 | 33.3 Ų | 33.3 | 55% | 0.552 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -25.8 | -175.7 | -27.4 | 35.1 | 0 | 0 | 0 | 115.1 | N316 | P314-N316 VanDerWaalsContact C-N 3.34Š|
| 315 | F | 93.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 18.7 | 176 | -85.3 | 6 | 0 | 0 | 0 | 114.9 | A313 H337 N338 P339 K342 L343 F515 | A313-F315 PolarHBondContact O-N 2.9Å; F315-H337 PolarHBondContact N-NE2 3.44Å; F315-N338 WeakPolarHBondContact CD2-O 3.35Å; F315-P339 WeakPolarHBondContact CD2-O 3.2Å; F315-P339 VanDerWaalsContact CE2-O 3.28Å; F315-P339 WeakPolarHBondContact CE2-O 3.31Å; F315-K342 HydrophobicContact CB-CB 4.3Å; F315-K342 HydrophobicContact CB-CG 4.48Å; F315-K342 HydrophobicContact CD1-CB 3.88Å; F315-K342 HydrophobicContact CD1-CD 4.15Å; F315-K342 HydrophobicContact CD1-CG 3.9Å; F315-K342 HydrophobicContact CD2-CB 3.98Å; F315-K342 HydrophobicContact CE1-CB 4Å; F315-K342 HydrophobicContact CE1-CD 4.04Å; F315-K342 HydrophobicContact CE1-CG 4.2Å; F315-K342 HydrophobicContact CE2-CB 4.14Å; F315-K342 HydrophobicContact CG-CB 3.81Å; F315-K342 HydrophobicContact CG-CG 4.18Å; F315-K342 HydrophobicContact CZ-CB 4.09Å; F315-L343 PolarHBondContact O-N 3.09Å; F315-F515 VanDerWaalsContact CZ-C 3.46Å |
| 316 | N | 96.6 | Very high | 94.6 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 15% | 0.15 | 21% | 0.207 | C | C | . | . | trans | 59.9 | 158 | -171.1 | -58.6 | -57.9 | 0 | 0 | 0 | 113.3 | M308 T309 D310 A313 P314 L343 | M308-N316 HydrophobicContact CG-CB 3.89Å; M308-N316 HydrophobicContact SD-CB 4.31Å; T309-N316 CarbonylContact O-C 3.57Å; T309-N316 WeakPolarHBondContact O-CA 3.46Å; D310-N316 WeakPolarHBondContact CB-OD1 3.43Å; D310-N316 PolarHBondContact N-OD1 2.96Å; A313-N316 VanDerWaalsContact O-CA 3.3Å; A313-N316 WeakPolarHBondContact O-CA 3.41Å; A313-N316 PolarHBondContact O-N 2.73Å; P314-N316 VanDerWaalsContact C-N 3.34Å; N316-L343 HydrophobicContact CB-CB 4.09Å; N316-L343 HydrophobicContact CB-CD2 4.12Å; N316-L343 HydrophobicContact CB-CG 4.32Å; N316-L343 PolarHBondContact ND2-O 3.26Å | ||
| 317 | K | 97.6 | Very high | 94.1 | Very high | 31 Ų | 31 | 41.8 Ų | 41.8 | 14% | 0.135 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 166.6 | 164.6 | 59.9 | 176.6 | 179.8 | 168.2 | 0 | 108.8 | M308 T309 L311 A313 I319 D333 I335 H337 | M308-K317 CarbonylContact C-O 3.52Å; M308-K317 VanDerWaalsContact CA-O 3.32Å; M308-K317 WeakPolarHBondContact CA-O 3.4Å; T309-K317 HydrophobicContact CG2-CG 3.91Å; T309-K317 PolarHBondContact N-O 2.8Å; T309-K317 PolarHBondContact O-N 2.97Å; L311-K317 WeakPolarHBondContact O-CE 3.46Å; A313-K317 HydrophobicContact CB-CB 4.13Å; A313-K317 HydrophobicContact CB-CD 3.99Å; A313-K317 HydrophobicContact CB-CG 3.75Å; K317-I319 HydrophobicContact CD-CG2 4.03Å; K317-I319 HydrophobicContact CG-CG2 4.16Å; K317-D333 WeakPolarHBondContact CD-OD1 3.34Å; K317-D333 WeakPolarHBondContact CD-OD2 3.45Å; K317-D333 WeakPolarHBondContact CE-OD1 3.31Å; K317-D333 IonicContact NZ-OD1 3.65Å; K317-D333 PolarHBondContact NZ-OD1 2.88Å; K317-D333 IonicContact NZ-OD2 3.31Å; K317-D333 PolarHBondContact NZ-OD2 3.42Å; K317-I335 WeakPolarHBondContact CA-O 3.12Å; K317-I335 WeakPolarHBondContact CB-O 3.3Å; K317-H337 HydrophobicContact CB-CB 4.36Å |
| 318 | I | 98.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.6 | 168.9 | -57.8 | -178.4 | 0 | 0 | 0 | 107.5 | I298 I307 L334 I335 L343 A346 L354 I356 | I298-I318 HydrophobicContact CD1-CB 4.4Å; I298-I318 HydrophobicContact CD1-CD1 3.8Å; I298-I318 HydrophobicContact CD1-CG1 3.96Å; I298-I318 HydrophobicContact CD1-CG2 3.66Å; I307-I318 CarbonylContact O-C 3.58Å; I307-I318 WeakPolarHBondContact O-CA 3.32Å; I318-L334 HydrophobicContact CG2-CB 4.43Å; I318-L334 HydrophobicContact CG2-CD2 4.08Å; I318-L334 WeakPolarHBondContact O-CB 3.43Å; I318-L334 PolarHBondContact O-N 3.39Å; I318-I335 HydrophobicContact CB-CB 4.02Å; I318-I335 HydrophobicContact CB-CG1 4.31Å; I318-I335 HydrophobicContact CD1-CD1 4.03Å; I318-I335 HydrophobicContact CD1-CG1 4.43Å; I318-I335 HydrophobicContact CG1-CB 4.34Å; I318-I335 PolarHBondContact N-O 2.69Å; I318-I335 PolarHBondContact O-N 3.36Å; I318-L343 HydrophobicContact CD1-CD2 3.85Å; I318-L343 HydrophobicContact CG1-CD2 3.46Å; I318-L343 VanDerWaalsContact CG1-CD2 3.46Å; I318-A346 HydrophobicContact CD1-CB 3.75Å; I318-L354 HydrophobicContact CD1-CD2 3.82Å; I318-L354 HydrophobicContact CD1-CG 4.49Å; I318-L354 HydrophobicContact CG2-CD2 4.45Å; I318-I356 HydrophobicContact CD1-CG2 3.84Å |
| 319 | I | 97.5 | Very high | 93 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 153.8 | 175 | 62.6 | 171.1 | 0 | 0 | 0 | 110.5 | Y306 I307 T309 K317 V321 W331 E332 | Y306-I319 WeakPolarHBondContact CA-O 3.44Å; I307-I319 HydrophobicContact CB-CD1 4.35Å; I307-I319 HydrophobicContact CB-CG1 3.9Å; I307-I319 PolarHBondContact N-O 3.46Å; I307-I319 WeakPolarHBondContact O-CG1 3.24Å; I307-I319 PolarHBondContact O-N 3.44Å; T309-I319 HydrophobicContact CG2-CD1 4.18Å; T309-I319 HydrophobicContact CG2-CG1 4.26Å; T309-I319 HydrophobicContact CG2-CG2 4.04Å; K317-I319 HydrophobicContact CD-CG2 4.03Å; K317-I319 HydrophobicContact CG-CG2 4.16Å; I319-V321 HydrophobicContact CD1-CG2 3.86Å; I319-V321 HydrophobicContact CG1-CG2 4.23Å; I319-W331 HydrophobicContact CD1-CD2 3.96Å; I319-W331 HydrophobicContact CD1-CE3 3.51Å; I319-W331 HydrophobicContact CD1-CZ3 3.95Å; I319-E332 CarbonylContact C-O 3.58Å; I319-E332 WeakPolarHBondContact CA-O 3.38Å |
| 320 | K | 96.7 | Very high | 92.8 | Very high | 38 Ų | 38 | 57.3 Ų | 57.3 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.9 | 171.2 | -179.6 | -175.3 | 179.4 | -179.6 | 0 | 108.4 | D304 F305 Y306 E332 L334 | D304-K320 HydrophobicContact CB-CD 4.46Å; D304-K320 HydrophobicContact CB-CG 4.05Å; D304-K320 WeakPolarHBondContact OD2-CE 3.35Å; D304-K320 IonicContact OD2-NZ 3.82Å; D304-K320 PolarHBondContact OD2-NZ 2.79Å; F305-K320 CarbonylContact O-C 3.49Å; F305-K320 WeakPolarHBondContact O-CA 3.46Å; Y306-K320 HydrophobicContact CD1-CB 4.28Å; Y306-K320 HydrophobicContact CD1-CG 4.31Å; Y306-K320 HydrophobicContact CE1-CB 4.21Å; Y306-K320 HydrophobicContact CE1-CD 4.01Å; Y306-K320 HydrophobicContact CE1-CG 3.87Å; K320-E332 HydrophobicContact CB-CB 4.33Å; K320-E332 PolarHBondContact N-O 2.96Å; K320-E332 PolarHBondContact O-N 3.23Å; K320-L334 HydrophobicContact CB-CB 4.22Å; K320-L334 HydrophobicContact CD-CD1 4.36Å |
| 321 | V | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121 | -177.9 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | I287 D304 F305 I307 I319 I323 P326 W331 | I287-V321 HydrophobicContact CG2-CG1 4.17Å; D304-V321 CarbonylContact C-O 3.59Å; D304-V321 WeakPolarHBondContact CA-O 3.21Å; F305-V321 PolarHBondContact N-O 3.02Å; F305-V321 PolarHBondContact O-N 2.95Å; I307-V321 HydrophobicContact CD1-CG2 4.2Å; I319-V321 HydrophobicContact CD1-CG2 3.86Å; I319-V321 HydrophobicContact CG1-CG2 4.23Å; V321-I323 PolarHBondContact O-N 2.81Å; V321-P326 HydrophobicContact CG1-CB 4.45Å; V321-W331 HydrophobicContact CG2-CD2 4.03Å; V321-W331 HydrophobicContact CG2-CG 3.85Å |
| 322 | N | 95.1 | Very high | 92.8 | Very high | 61 Ų | 61 | 60.1 Ų | 60.1 | 33% | 0.326 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 113.9 | 171 | -171.3 | -41.6 | 0 | 0 | 0 | 109.4 | K324 D325 | N322-K324 PolarHBondContact O-N 3.31Å; N322-K324 VanDerWaalsContact O-N 3.09Å; N322-K324 WeakPolarHBondContact OD1-CB 3.31Å; N322-K324 PolarHBondContact OD1-N 3.4Å; N322-D325 CarbonylContact O-C 3.53Å; N322-D325 PolarHBondContact O-N 3.36Å; N322-D325 VanDerWaalsContact O-O 3.14Å |
| 323 | I | 91.7 | Very high | 93 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.6 | -174.8 | 71.1 | -172.3 | 0 | 0 | 0 | 114.2 | Y251 F268 T303 F305 V321 D325 | Y251-I323 HydrophobicContact CE1-CD1 3.8Å; Y251-I323 HydrophobicContact CE2-CD1 4.13Å; Y251-I323 VanDerWaalsContact CZ-CD1 3.46Å; Y251-I323 VanDerWaalsContact OH-CD1 3.28Å; Y251-I323 WeakPolarHBondContact OH-CD1 3.21Å; F268-I323 HydrophobicContact CE1-CB 4.47Å; F268-I323 HydrophobicContact CE2-CB 4.27Å; F268-I323 HydrophobicContact CE2-CD1 4.1Å; F268-I323 HydrophobicContact CZ-CB 3.84Å; F268-I323 HydrophobicContact CZ-CD1 4.49Å; F268-I323 HydrophobicContact CZ-CG1 4.5Å; F268-I323 HydrophobicContact CZ-CG2 4.27Å; T303-I323 WeakPolarHBondContact O-CG1 3.5Å; T303-I323 PolarHBondContact O-N 3.24Å; F305-I323 HydrophobicContact CB-CG2 4.41Å; F305-I323 HydrophobicContact CD1-CG2 3.56Å; F305-I323 HydrophobicContact CD2-CG2 4Å; F305-I323 HydrophobicContact CE1-CD1 4.2Å; F305-I323 HydrophobicContact CE1-CG2 3.73Å; F305-I323 HydrophobicContact CE2-CG2 4.1Å; F305-I323 HydrophobicContact CG-CG2 3.71Å; F305-I323 HydrophobicContact CZ-CG2 3.99Å; V321-I323 PolarHBondContact O-N 2.81Å; I323-D325 VanDerWaalsContact C-N 3.3Å |
| 324 | K | 90.4 | Very high | 93.1 | Very high | 170 Ų | 170 | 58.2 Ų | 58.2 | 74% | 0.739 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -18.2 | 172.6 | -64 | -178.8 | 175.4 | 175.9 | 0 | 112.4 | T303 N322 | T303-K324 HydrophobicContact CG2-CD 4.27Å; N322-K324 PolarHBondContact O-N 3.31Å; N322-K324 VanDerWaalsContact O-N 3.09Å; N322-K324 WeakPolarHBondContact OD1-CB 3.31Å; N322-K324 PolarHBondContact OD1-N 3.4Å |
| 325 | D | 90.2 | Very high | 93.4 | Very high | 83 Ų | 83 | 55 Ų | 55 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -142.7 | 66.8 | 179.2 | -167.6 | 2.5 | 0 | 0 | 0 | 109.1 | N322 I323 D327 N330 | N322-D325 CarbonylContact O-C 3.53Å; N322-D325 PolarHBondContact O-N 3.36Å; N322-D325 VanDerWaalsContact O-O 3.14Å; I323-D325 VanDerWaalsContact C-N 3.3Å; D325-D327 PolarHBondContact O-N 3.16Å; D325-N330 PolarHBondContact OD1-ND2 2.76Å; D325-N330 PolarHBondContact OD2-ND2 3.27Å |
| 326 | P | 84.9 | Confident | 93.6 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 28% | 0.279 | 29% | 0.292 | S | S | . | . | trans | -78.4 | 3.9 | -167.1 | 33.8 | -37.3 | 0 | 0 | 0 | 113.6 | V321 W328 W331 | V321-P326 HydrophobicContact CG1-CB 4.45Å; P326-W328 PolarHBondContact O-N 3.08Å; P326-W331 PolarHBondContact O-NE1 2.66Å | ||
| 327 | D | 86.6 | Confident | 93.5 | Very high | 78 Ų | 78 | 60.2 Ų | 60.2 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | trans | -58.3 | 138.2 | 179.8 | -173 | 39.1 | 0 | 0 | 0 | 110.7 | D325 S329 N330 W331 | D325-D327 PolarHBondContact O-N 3.16Å; D327-S329 PolarHBondContact O-N 3.42Å; D327-S329 VanDerWaalsContact O-N 3.12Å; D327-S329 WeakPolarHBondContact OD2-CB 3.39Å; D327-S329 PolarHBondContact OD2-OG 2.86Å; D327-N330 WeakPolarHBondContact O-CB 3.41Å; D327-N330 PolarHBondContact O-N 2.74Å; D327-W331 VanDerWaalsContact O-CD1 3.28Å; D327-W331 PolarHBondContact O-NE1 3.01Å | ||
| 328 | W | 83.3 | Confident | 93.3 | Very high | 189 Ų | 189 | 61.4 Ų | 61.4 | 72% | 0.716 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -61.7 | -26.7 | -172.3 | 70.6 | -83.5 | 0 | 0 | 0 | 112.6 | P326 N330 W331 | P326-W328 PolarHBondContact O-N 3.08Å; W328-N330 PolarHBondContact O-N 2.88Å; W328-W331 HydrophobicContact CB-CD2 4.19Å; W328-W331 HydrophobicContact CB-CE3 4.35Å; W328-W331 HydrophobicContact CB-CH2 4.23Å; W328-W331 HydrophobicContact CB-CZ2 4.07Å; W328-W331 HydrophobicContact CB-CZ3 4.37Å; W328-W331 PolarHBondContact O-N 2.91Å |
| 329 | S | 89 | Confident | 92.7 | Very high | 73 Ų | 73 | 65.4 Ų | 65.4 | 51% | 0.51 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -64.2 | -19.7 | 175.4 | 70.5 | 0 | 0 | 0 | 0 | 113.7 | D327 | D327-S329 PolarHBondContact O-N 3.42Å; D327-S329 VanDerWaalsContact O-N 3.12Å; D327-S329 WeakPolarHBondContact OD2-CB 3.39Å; D327-S329 PolarHBondContact OD2-OG 2.86Å |
| 330 | N | 93.1 | Very high | 92.2 | Very high | 82 Ų | 82 | 70 Ų | 70 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -101.7 | 2.4 | -179.1 | -64.5 | -43.1 | 0 | 0 | 0 | 113.5 | D325 D327 W328 | D325-N330 PolarHBondContact OD1-ND2 2.76Å; D325-N330 PolarHBondContact OD2-ND2 3.27Å; D327-N330 WeakPolarHBondContact O-CB 3.41Å; D327-N330 PolarHBondContact O-N 2.74Å; W328-N330 PolarHBondContact O-N 2.88Å |
| 331 | W | 94.9 | Very high | 91.9 | Very high | 47 Ų | 47 | 69.9 Ų | 69.9 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | trans | -71.4 | 135.2 | 178 | -64.4 | 1.2 | 0 | 0 | 0 | 111.1 | V288 Y295 L311 I319 V321 P326 D327 W328 | V288-W331 HydrophobicContact CG2-CH2 3.96Å; V288-W331 HydrophobicContact CG2-CZ2 4.36Å; Y295-W331 HydrophobicContact CE1-CH2 4.33Å; Y295-W331 HydrophobicContact CE1-CZ3 4.13Å; L311-W331 HydrophobicContact CD2-CZ3 4.01Å; I319-W331 HydrophobicContact CD1-CD2 3.96Å; I319-W331 HydrophobicContact CD1-CE3 3.51Å; I319-W331 HydrophobicContact CD1-CZ3 3.95Å; V321-W331 HydrophobicContact CG2-CD2 4.03Å; V321-W331 HydrophobicContact CG2-CG 3.85Å; P326-W331 PolarHBondContact O-NE1 2.66Å; D327-W331 VanDerWaalsContact O-CD1 3.28Å; D327-W331 PolarHBondContact O-NE1 3.01Å; W328-W331 HydrophobicContact CB-CD2 4.19Å; W328-W331 HydrophobicContact CB-CE3 4.35Å; W328-W331 HydrophobicContact CB-CH2 4.23Å; W328-W331 HydrophobicContact CB-CZ2 4.07Å; W328-W331 HydrophobicContact CB-CZ3 4.37Å; W328-W331 PolarHBondContact O-N 2.91Å | ||
| 332 | E | 95.5 | Very high | 91.8 | Very high | 102 Ų | 102 | 72.6 Ų | 72.6 | 48% | 0.477 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.5 | 179.3 | 179.9 | -174.4 | 176.9 | 0 | 0 | 110.5 | I319 K320 L334 | I319-E332 CarbonylContact C-O 3.58Å; I319-E332 WeakPolarHBondContact CA-O 3.38Å; K320-E332 HydrophobicContact CB-CB 4.33Å; K320-E332 PolarHBondContact N-O 2.96Å; K320-E332 PolarHBondContact O-N 3.23Å; E332-L334 PolarHBondContact O-N 2.92Å |
| 333 | D | 96.4 | Very high | 91.9 | Very high | 70 Ų | 70 | 70 Ų | 70 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 84.9 | 171.2 | -79.1 | 6.3 | 0 | 0 | 0 | 110.4 | K317 I335 P336 | K317-D333 WeakPolarHBondContact CD-OD1 3.34Å; K317-D333 WeakPolarHBondContact CD-OD2 3.45Å; K317-D333 WeakPolarHBondContact CE-OD1 3.31Å; K317-D333 IonicContact NZ-OD1 3.65Å; K317-D333 PolarHBondContact NZ-OD1 2.88Å; K317-D333 IonicContact NZ-OD2 3.31Å; K317-D333 PolarHBondContact NZ-OD2 3.42Å; D333-I335 PolarHBondContact O-N 2.83Å; D333-P336 HydrophobicContact CB-CB 4.25Å |
| 334 | L | 97.3 | Very high | 92 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | -48.3 | 178.2 | -173.4 | 80.1 | 0 | 0 | 0 | 112.3 | Y306 I318 K320 E332 L354 G374 | Y306-L334 HydrophobicContact CD1-CD2 3.48Å; Y306-L334 VanDerWaalsContact CD1-CD2 3.48Å; Y306-L334 HydrophobicContact CE1-CD1 4.15Å; Y306-L334 HydrophobicContact CE1-CD2 3.68Å; Y306-L334 HydrophobicContact CE1-CG 4.47Å; I318-L334 HydrophobicContact CG2-CB 4.43Å; I318-L334 HydrophobicContact CG2-CD2 4.08Å; I318-L334 WeakPolarHBondContact O-CB 3.43Å; I318-L334 PolarHBondContact O-N 3.39Å; K320-L334 HydrophobicContact CB-CB 4.22Å; K320-L334 HydrophobicContact CD-CD1 4.36Å; E332-L334 PolarHBondContact O-N 2.92Å; L334-L354 HydrophobicContact CD2-CD2 3.92Å; L334-G374 VanDerWaalsContact CD1-N 3.33Å |
| 335 | I | 97.4 | Very high | 92.4 | Very high | 17 Ų | 17 | 65 Ų | 65 | 9% | 0.087 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 102.5 | 168.2 | -55.6 | -167.6 | 0 | 0 | 0 | 106.6 | K317 I318 D333 L354 I356 Y369 | K317-I335 WeakPolarHBondContact CA-O 3.12Å; K317-I335 WeakPolarHBondContact CB-O 3.3Å; I318-I335 HydrophobicContact CB-CB 4.02Å; I318-I335 HydrophobicContact CB-CG1 4.31Å; I318-I335 HydrophobicContact CD1-CD1 4.03Å; I318-I335 HydrophobicContact CD1-CG1 4.43Å; I318-I335 HydrophobicContact CG1-CB 4.34Å; I318-I335 PolarHBondContact N-O 2.69Å; I318-I335 PolarHBondContact O-N 3.36Å; D333-I335 PolarHBondContact O-N 2.83Å; I335-L354 HydrophobicContact CD1-CD2 3.95Å; I335-I356 HydrophobicContact CD1-CD1 4.16Å; I335-I356 HydrophobicContact CD1-CG2 4.26Å; I335-Y369 HydrophobicContact CD1-CD1 3.81Å; I335-Y369 HydrophobicContact CD1-CD2 3.7Å; I335-Y369 HydrophobicContact CD1-CE1 4.01Å; I335-Y369 HydrophobicContact CD1-CE2 3.91Å; I335-Y369 HydrophobicContact CD1-CG 3.65Å; I335-Y369 HydrophobicContact CG1-CD1 4.39Å |
| 336 | P | 96.5 | Very high | 92.7 | Very high | 80 Ų | 80 | 61.7 Ų | 61.7 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | trans | -68.3 | 159.2 | -174.8 | 27.8 | -34.9 | 0 | 0 | 0 | 111.9 | D333 N338 | D333-P336 HydrophobicContact CB-CB 4.25Å; P336-N338 PolarHBondContact O-N 2.97Å | ||
| 337 | H | 95.5 | Very high | 93.2 | Very high | 66 Ų | 66 | 60.7 Ų | 60.7 | 31% | 0.306 | 31% | 0.307 | S | S | . | . | trans | -55.2 | 134.7 | 174.7 | 172.3 | -115.7 | 0 | 0 | 0 | 111.3 | A313 F315 K317 | A313-H337 HydrophobicContact CB-CB 3.75Å; F315-H337 PolarHBondContact N-NE2 3.44Å; K317-H337 HydrophobicContact CB-CB 4.36Å | ||
| 338 | N | 92.8 | Very high | 93.6 | Very high | 55 Ų | 55 | 57 Ų | 57 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | trans | -123.2 | 118 | 175.1 | -175.3 | -40.9 | 0 | 0 | 0 | 109.8 | F315 P336 I340 R341 | F315-N338 WeakPolarHBondContact CD2-O 3.35Å; P336-N338 PolarHBondContact O-N 2.97Å; N338-I340 PolarHBondContact O-N 3.24Å; N338-I340 VanDerWaalsContact O-N 3.12Å; N338-I340 WeakPolarHBondContact OD1-CG1 3.48Å; N338-I340 PolarHBondContact OD1-N 2.78Å; N338-R341 HydrophobicContact CB-CB 4.05Å; N338-R341 PolarHBondContact O-N 2.87Å; N338-R341 PolarHBondContact OD1-N 2.83Å | ||
| 339 | P | 86.2 | Confident | 94.1 | Very high | 84 Ų | 84 | 48 Ų | 48 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -11.1 | -173.1 | 29.2 | -36.2 | 0 | 0 | 0 | 114.4 | F315 | F315-P339 WeakPolarHBondContact CD2-O 3.2Å; F315-P339 VanDerWaalsContact CE2-O 3.28Å; F315-P339 WeakPolarHBondContact CE2-O 3.31Å |
| 340 | I | 86.2 | Confident | 94.3 | Very high | 98 Ų | 98 | 46.4 Ų | 46.4 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -1.3 | 178.4 | 61.7 | 164.9 | 0 | 0 | 0 | 113.1 | N338 | N338-I340 PolarHBondContact O-N 3.24Å; N338-I340 VanDerWaalsContact O-N 3.12Å; N338-I340 WeakPolarHBondContact OD1-CG1 3.48Å; N338-I340 PolarHBondContact OD1-N 2.78Å |
| 341 | R | 91.1 | Very high | 94.3 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 103.4 | 178.8 | -60 | -176.3 | 76.8 | -140.3 | -1.9 | 110.2 | N338 L343 I359 E360 M365 S367 Y369 | N338-R341 HydrophobicContact CB-CB 4.05Å; N338-R341 PolarHBondContact O-N 2.87Å; N338-R341 PolarHBondContact OD1-N 2.83Å; R341-L343 PolarHBondContact O-N 2.85Å; R341-I359 CarbonylContact C-O 3.53Å; R341-I359 WeakPolarHBondContact CA-O 3.38Å; R341-E360 WeakPolarHBondContact CD-OE2 3.44Å; R341-E360 HydrophobicContact CG-CB 4.1Å; R341-E360 HydrophobicContact CG-CG 3.77Å; R341-E360 WeakPolarHBondContact CG-OE2 3.43Å; R341-E360 IonicContact CZ-OE2 3.94Å; R341-E360 IonicContact NE-OE2 2.79Å; R341-E360 PolarHBondContact NE-OE2 3.5Å; R341-M365 PolarHBondContact NH2-SD 3.16Å; R341-S367 PolarHBondContact NH2-OG 2.86Å; R341-Y369 PolarHBondContact NH1-OH 3.36Å |
| 342 | K | 94.3 | Very high | 94.2 | Very high | 57 Ų | 57 | 53.1 Ų | 53.1 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 117.3 | 175.2 | -176.5 | 177.5 | -177.9 | 176.1 | 0 | 110.1 | F315 C358 I359 I484 | F315-K342 HydrophobicContact CB-CB 4.3Å; F315-K342 HydrophobicContact CB-CG 4.48Å; F315-K342 HydrophobicContact CD1-CB 3.88Å; F315-K342 HydrophobicContact CD1-CD 4.15Å; F315-K342 HydrophobicContact CD1-CG 3.9Å; F315-K342 HydrophobicContact CD2-CB 3.98Å; F315-K342 HydrophobicContact CE1-CB 4Å; F315-K342 HydrophobicContact CE1-CD 4.04Å; F315-K342 HydrophobicContact CE1-CG 4.2Å; F315-K342 HydrophobicContact CE2-CB 4.14Å; F315-K342 HydrophobicContact CG-CB 3.81Å; F315-K342 HydrophobicContact CG-CG 4.18Å; F315-K342 HydrophobicContact CZ-CB 4.09Å; K342-C358 CarbonylContact O-C 3.47Å; K342-C358 WeakPolarHBondContact O-CA 3.44Å; K342-I359 HydrophobicContact CB-CB 4.33Å; K342-I359 PolarHBondContact N-O 3.4Å; K342-I359 PolarHBondContact O-N 2.99Å; K342-I484 HydrophobicContact CD-CD1 3.45Å; K342-I484 VanDerWaalsContact CD-CD1 3.45Å |
| 343 | L | 96.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124.2 | 172.4 | 168.4 | 69.7 | 0 | 0 | 0 | 109.8 | M308 F315 N316 I318 R341 I356 | M308-L343 HydrophobicContact CG-CD2 3.78Å; M308-L343 HydrophobicContact CG-CG 4.4Å; M308-L343 HydrophobicContact SD-CD1 4.4Å; M308-L343 HydrophobicContact SD-CD2 3.61Å; M308-L343 HydrophobicContact SD-CG 3.6Å; F315-L343 PolarHBondContact O-N 3.09Å; N316-L343 HydrophobicContact CB-CB 4.09Å; N316-L343 HydrophobicContact CB-CD2 4.12Å; N316-L343 HydrophobicContact CB-CG 4.32Å; N316-L343 PolarHBondContact ND2-O 3.26Å; I318-L343 HydrophobicContact CD1-CD2 3.85Å; I318-L343 HydrophobicContact CG1-CD2 3.46Å; I318-L343 VanDerWaalsContact CG1-CD2 3.46Å; R341-L343 PolarHBondContact O-N 2.85Å; L343-I356 HydrophobicContact CD1-CB 3.64Å; L343-I356 HydrophobicContact CD1-CD1 4.05Å; L343-I356 HydrophobicContact CD1-CG1 4.32Å; L343-I356 HydrophobicContact CD1-CG2 4Å |
| 344 | E | 95.2 | Very high | 94.2 | Very high | 35 Ų | 35 | 46.4 Ų | 46.4 | 16% | 0.164 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -45.1 | -178.4 | -67.8 | -164.3 | 110.8 | 0 | 0 | 113.5 | S357 I359 | E344-S357 PolarHBondContact N-O 3.27Å; E344-I359 HydrophobicContact CG-CD1 3.83Å; E344-I359 HydrophobicContact CG-CG1 3.93Å; E344-I359 VanDerWaalsContact OE1-CD1 3.25Å; E344-I359 WeakPolarHBondContact OE1-CD1 3.14Å; E344-I359 WeakPolarHBondContact OE2-CD1 3.23Å; E344-I359 VanDerWaalsContact OE2-CG1 3.3Å; E344-I359 WeakPolarHBondContact OE2-CG1 3.27Å |
| 345 | Y | 97.2 | Very high | 94.2 | Very high | 55 Ų | 55 | 46 Ų | 46 | 22% | 0.216 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 146.6 | -175.1 | -51.6 | -72.8 | 0 | 0 | 0 | 110.1 | I356 S357 I387 Y388 L390 | Y345-I356 CarbonylContact O-C 3.49Å; Y345-I356 WeakPolarHBondContact O-CA 3.34Å; Y345-S357 PolarHBondContact N-O 2.99Å; Y345-S357 PolarHBondContact O-N 2.93Å; Y345-I387 HydrophobicContact CD2-CG2 4.41Å; Y345-I387 HydrophobicContact CE2-CG2 4.46Å; Y345-Y388 PolarHBondContact OH-O 2.86Å; Y345-L390 HydrophobicContact CG-CB 4.35Å |
| 346 | A | 97.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 141.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | I298 I318 L354 A355 I356 | I298-A346 HydrophobicContact CD1-CB 3.71Å; I298-A346 HydrophobicContact CG1-CB 3.97Å; I298-A346 HydrophobicContact CG2-CB 4.09Å; I318-A346 HydrophobicContact CD1-CB 3.75Å; A346-L354 HydrophobicContact CB-CD1 4.29Å; A346-A355 CarbonylContact C-O 3.55Å; A346-A355 WeakPolarHBondContact CA-O 3.44Å; A346-I356 HydrophobicContact CB-CG2 3.95Å |
| 347 | T | 95.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 139.2 | 177.3 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | A355 L390 | T347-A355 HydrophobicContact CG2-CB 4.1Å; T347-A355 PolarHBondContact N-O 3.41Å; T347-A355 PolarHBondContact O-N 2.83Å; T347-L390 HydrophobicContact CG2-CD2 4.21Å; T347-L390 HydrophobicContact CG2-CG 4.01Å |
| 348 | C | 94.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 131.7 | 172.1 | -54 | 0 | 0 | 0 | 0 | 109.8 | I298 W371 H393 Y394 | I298-C348 PolarHBondContact O-SG 3.4Å; C348-W371 HydrophobicContact CB-CD2 4.35Å; C348-W371 HydrophobicContact CB-CH2 4.41Å; C348-W371 HydrophobicContact CB-CZ2 4.03Å; C348-W371 VanDerWaalsContact SG-CZ2 3.58Å; C348-W371 PolarHBondContact SG-NE1 3.16Å; C348-H393 CarbonylContact O-C 3.54Å; C348-Y394 WeakPolarHBondContact O-CA 3.14Å; C348-Y394 PolarHBondContact O-N 3.5Å |
| 349 | I | 94.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 145.1 | -174.9 | -169.7 | 78.8 | 0 | 0 | 0 | 111 | R351 K352 Y353 A355 H393 S396 Q398 I399 L417 | I349-R351 PolarHBondContact O-N 3.03Å; I349-R351 VanDerWaalsContact O-N 3.09Å; I349-K352 PolarHBondContact O-N 3.09Å; I349-Y353 PolarHBondContact N-O 2.85Å; I349-Y353 PolarHBondContact O-N 2.57Å; I349-Y353 VanDerWaalsContact O-O 3.1Å; I349-A355 HydrophobicContact CG2-CB 4.07Å; I349-H393 WeakPolarHBondContact CD1-O 3.25Å; I349-S396 WeakPolarHBondContact CD1-O 3.4Å; I349-S396 VanDerWaalsContact CG1-O 3.28Å; I349-S396 WeakPolarHBondContact CG1-O 3.3Å; I349-Q398 WeakPolarHBondContact CD1-O 3.41Å; I349-I399 HydrophobicContact CB-CG2 4.25Å; I349-I399 HydrophobicContact CD1-CG2 3.96Å; I349-I399 HydrophobicContact CG1-CG2 3.75Å; I349-I399 HydrophobicContact CG2-CG2 4.23Å; I349-L417 HydrophobicContact CB-CD1 4.48Å; I349-L417 HydrophobicContact CG1-CD1 4.02Å; I349-L417 HydrophobicContact CG2-CD1 3.56Å |
| 350 | N | 92.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 34.5 Ų | 34.5 | 21% | 0.209 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 30.7 | 175.2 | -150.9 | 15.3 | 0 | 0 | 0 | 114.5 | K352 Y353 Y394 S396 N418 | N350-K352 WeakPolarHBondContact O-CB 3.45Å; N350-K352 PolarHBondContact O-N 3.29Å; N350-Y353 HydrophobicContact CB-CD2 3.93Å; N350-Y353 HydrophobicContact CB-CE2 4.39Å; N350-Y394 CarbonylContact C-O 3.47Å; N350-Y394 PolarHBondContact N-O 3Å; N350-S396 VanDerWaalsContact CA-O 3.24Å; N350-S396 WeakPolarHBondContact CA-O 3.43Å; N350-S396 PolarHBondContact N-O 2.84Å; N350-N418 PolarHBondContact ND2-OD1 3.32Å |
| 351 | R | 91.9 | Very high | 95 | Very high | 163 Ų | 163 | 32.9 Ų | 32.9 | 62% | 0.615 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 3.6 | -179.4 | -54.4 | 176.9 | 177.6 | -104.8 | 0.6 | 115.7 | I349 Y394 | I349-R351 PolarHBondContact O-N 3.03Å; I349-R351 VanDerWaalsContact O-N 3.09Å; R351-Y394 HydrophobicContact CG-CD2 4.29Å; R351-Y394 VanDerWaalsContact CG-O 3.27Å; R351-Y394 WeakPolarHBondContact CG-O 3.37Å; R351-Y394 PolarHBondContact N-O 3.35Å |
| 352 | K | 93.1 | Very high | 95.2 | Very high | 106 Ų | 106 | 31.1 Ų | 31.1 | 46% | 0.461 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | -28 | -166.7 | -176.6 | -179.8 | 176.6 | -171.6 | 0 | 112.5 | I349 N350 W371 | I349-K352 PolarHBondContact O-N 3.09Å; N350-K352 WeakPolarHBondContact O-CB 3.45Å; N350-K352 PolarHBondContact O-N 3.29Å; K352-W371 VanDerWaalsContact O-CB 3.29Å; K352-W371 WeakPolarHBondContact O-CB 3.4Å; K352-W371 PolarHBondContact O-N 2.6Å |
| 353 | Y | 96.1 | Very high | 95.1 | Very high | 32 Ų | 32 | 32.3 Ų | 32.3 | 13% | 0.125 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 148.2 | -171.6 | -57.2 | -50.9 | 0 | 0 | 0 | 111.2 | I349 N350 I368 Y369 I377 L417 W422 | I349-Y353 PolarHBondContact N-O 2.85Å; I349-Y353 PolarHBondContact O-N 2.57Å; I349-Y353 VanDerWaalsContact O-O 3.1Å; N350-Y353 HydrophobicContact CB-CD2 3.93Å; N350-Y353 HydrophobicContact CB-CE2 4.39Å; Y353-I368 HydrophobicContact CD1-CG2 4.03Å; Y353-I368 HydrophobicContact CG-CG2 3.94Å; Y353-Y369 CarbonylContact C-O 3.5Å; Y353-Y369 VanDerWaalsContact CA-O 3.28Å; Y353-Y369 WeakPolarHBondContact CA-O 3.32Å; Y353-I377 HydrophobicContact CD1-CD1 3.46Å; Y353-I377 VanDerWaalsContact CD1-CD1 3.46Å; Y353-I377 HydrophobicContact CE1-CD1 3.46Å; Y353-I377 VanDerWaalsContact CE1-CD1 3.46Å; Y353-L417 HydrophobicContact CD2-CB 4.32Å; Y353-L417 HydrophobicContact CD2-CD1 3.85Å; Y353-L417 HydrophobicContact CE2-CB 4.33Å; Y353-W422 HydrophobicContact CE1-CH2 4.47Å; Y353-W422 HydrophobicContact CE2-CH2 4.44Å; Y353-W422 HydrophobicContact CE2-CZ2 4.2Å |
| 354 | L | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 112.7 | 166 | 177.1 | 62.2 | 0 | 0 | 0 | 106.9 | I298 I318 L334 I335 A346 I356 Y369 W371 | I298-L354 HydrophobicContact CG2-CD1 3.85Å; I318-L354 HydrophobicContact CD1-CD2 3.82Å; I318-L354 HydrophobicContact CD1-CG 4.49Å; I318-L354 HydrophobicContact CG2-CD2 4.45Å; L334-L354 HydrophobicContact CD2-CD2 3.92Å; I335-L354 HydrophobicContact CD1-CD2 3.95Å; A346-L354 HydrophobicContact CB-CD1 4.29Å; L354-I356 HydrophobicContact CG-CG2 4.09Å; L354-Y369 PolarHBondContact N-O 2.86Å; L354-Y369 PolarHBondContact O-N 2.85Å; L354-W371 HydrophobicContact CB-CB 4.33Å |
| 355 | A | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 128.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109 | A346 T347 I349 I368 L390 I399 | A346-A355 CarbonylContact C-O 3.55Å; A346-A355 WeakPolarHBondContact CA-O 3.44Å; T347-A355 HydrophobicContact CG2-CB 4.1Å; T347-A355 PolarHBondContact N-O 3.41Å; T347-A355 PolarHBondContact O-N 2.83Å; I349-A355 HydrophobicContact CG2-CB 4.07Å; A355-I368 HydrophobicContact CB-CD1 3.63Å; A355-L390 HydrophobicContact CB-CD2 4.32Å; A355-I399 HydrophobicContact CB-CG2 4.13Å |
| 356 | I | 97.5 | Very high | 95 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.8 | 176.9 | 70.8 | 173.7 | 0 | 0 | 0 | 111 | I318 I335 L343 Y345 A346 L354 C358 I366 S367 Y369 | I318-I356 HydrophobicContact CD1-CG2 3.84Å; I335-I356 HydrophobicContact CD1-CD1 4.16Å; I335-I356 HydrophobicContact CD1-CG2 4.26Å; L343-I356 HydrophobicContact CD1-CB 3.64Å; L343-I356 HydrophobicContact CD1-CD1 4.05Å; L343-I356 HydrophobicContact CD1-CG1 4.32Å; L343-I356 HydrophobicContact CD1-CG2 4Å; Y345-I356 CarbonylContact O-C 3.49Å; Y345-I356 WeakPolarHBondContact O-CA 3.34Å; A346-I356 HydrophobicContact CB-CG2 3.95Å; L354-I356 HydrophobicContact CG-CG2 4.09Å; I356-C358 WeakPolarHBondContact CD1-SG 3.47Å; I356-I366 CarbonylContact O-C 3.48Å; I356-I366 VanDerWaalsContact O-CA 3.28Å; I356-I366 WeakPolarHBondContact O-CA 3.36Å; I356-S367 PolarHBondContact N-O 2.9Å; I356-S367 PolarHBondContact O-N 2.94Å; I356-Y369 HydrophobicContact CD1-CD2 4Å; I356-Y369 HydrophobicContact CD1-CE2 3.25Å; I356-Y369 HydrophobicContact CG1-CD2 4.11Å; I356-Y369 HydrophobicContact CG1-CE2 3.67Å |
| 357 | S | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.5 | 165.9 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | E344 Y345 M365 | E344-S357 PolarHBondContact N-O 3.27Å; Y345-S357 PolarHBondContact N-O 2.99Å; Y345-S357 PolarHBondContact O-N 2.93Å; S357-M365 CarbonylContact C-O 3.58Å; S357-M365 VanDerWaalsContact CA-O 3.27Å; S357-M365 WeakPolarHBondContact CA-O 3.32Å |
| 358 | C | 96 | Very high | 95 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.02 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 153.3 | 176.9 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | K342 I356 S364 M365 | K342-C358 CarbonylContact O-C 3.47Å; K342-C358 WeakPolarHBondContact O-CA 3.44Å; I356-C358 WeakPolarHBondContact CD1-SG 3.47Å; C358-S364 CarbonylContact O-C 3.53Å; C358-S364 WeakPolarHBondContact O-CA 3.24Å; C358-M365 HydrophobicContact CB-CG 4.21Å; C358-M365 PolarHBondContact N-O 3.33Å; C358-M365 PolarHBondContact O-N 2.84Å |
| 359 | I | 95.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.5 | 164.2 | -57.5 | 169.9 | 0 | 0 | 0 | 108.1 | R341 K342 E344 R363 I484 Q486 | R341-I359 CarbonylContact C-O 3.53Å; R341-I359 WeakPolarHBondContact CA-O 3.38Å; K342-I359 HydrophobicContact CB-CB 4.33Å; K342-I359 PolarHBondContact N-O 3.4Å; K342-I359 PolarHBondContact O-N 2.99Å; E344-I359 HydrophobicContact CG-CD1 3.83Å; E344-I359 HydrophobicContact CG-CG1 3.93Å; E344-I359 VanDerWaalsContact OE1-CD1 3.25Å; E344-I359 WeakPolarHBondContact OE1-CD1 3.14Å; E344-I359 WeakPolarHBondContact OE2-CD1 3.23Å; E344-I359 VanDerWaalsContact OE2-CG1 3.3Å; E344-I359 WeakPolarHBondContact OE2-CG1 3.27Å; I359-R363 WeakPolarHBondContact CA-O 3.33Å; I359-I484 HydrophobicContact CD1-CD1 3.85Å; I359-I484 HydrophobicContact CD1-CG2 4.22Å; I359-I484 HydrophobicContact CG2-CG2 4.34Å; I359-Q486 HydrophobicContact CD1-CG 4.43Å |
| 360 | E | 92.1 | Very high | 95.3 | Very high | 53 Ų | 53 | 29.4 Ų | 29.4 | 25% | 0.248 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 132.6 | 170.8 | -169.1 | 177.3 | 159.6 | 0 | 0 | 108.3 | R341 V362 R363 M365 | R341-E360 WeakPolarHBondContact CD-OE2 3.44Å; R341-E360 HydrophobicContact CG-CB 4.1Å; R341-E360 HydrophobicContact CG-CG 3.77Å; R341-E360 WeakPolarHBondContact CG-OE2 3.43Å; R341-E360 IonicContact CZ-OE2 3.94Å; R341-E360 IonicContact NE-OE2 2.79Å; R341-E360 PolarHBondContact NE-OE2 3.5Å; E360-V362 PolarHBondContact O-N 3Å; E360-V362 VanDerWaalsContact O-N 3.13Å; E360-R363 PolarHBondContact N-O 3.26Å; E360-R363 PolarHBondContact O-N 2.91Å; E360-M365 HydrophobicContact CB-CE 3.21Å; E360-M365 HydrophobicContact CB-SD 4.44Å; E360-M365 HydrophobicContact CG-CE 4.06Å; E360-M365 WeakPolarHBondContact OE2-CE 3.23Å |
| 361 | N | 93 | Very high | 95.3 | Very high | 63 Ų | 63 | 28.3 Ų | 28.3 | 34% | 0.337 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 43.4 | -171.1 | -63.3 | -52.2 | 0 | 0 | 0 | 111.2 | R363 Q444 F446 | N361-R363 PolarHBondContact O-N 3.08Å; N361-R363 VanDerWaalsContact O-N 3.09Å; N361-Q444 PolarHBondContact O-NE2 2.83Å; N361-F446 HydrophobicContact CB-CZ 4.21Å |
| 362 | V | 94.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 7.5 | 177.5 | -151.5 | 0 | 0 | 0 | 0 | 115.3 | E360 P456 F458 I484 Q486 N508 E514 | E360-V362 PolarHBondContact O-N 3Å; E360-V362 VanDerWaalsContact O-N 3.13Å; V362-P456 HydrophobicContact CG2-CB 4.17Å; V362-P456 HydrophobicContact CG2-CG 3.71Å; V362-F458 HydrophobicContact CB-CE2 3.86Å; V362-F458 HydrophobicContact CB-CZ 3.91Å; V362-F458 HydrophobicContact CG1-CE2 3.78Å; V362-F458 HydrophobicContact CG1-CZ 4.23Å; V362-I484 HydrophobicContact CG1-CG2 3.92Å; V362-Q486 HydrophobicContact CG1-CG 4.05Å; V362-Q486 WeakPolarHBondContact O-CG 3.14Å; V362-Q486 PolarHBondContact O-NE2 3.38Å; V362-N508 WeakPolarHBondContact CG1-ND2 3.22Å; V362-N508 HydrophobicContact CG2-CB 4.09Å; V362-E514 HydrophobicContact CB-CG 4.34Å; V362-E514 HydrophobicContact CG1-CG 3.88Å; V362-E514 HydrophobicContact CG2-CB 3.88Å; V362-E514 HydrophobicContact CG2-CG 3.5Å; V362-E514 VanDerWaalsContact CG2-CG 3.5Å |
| 363 | R | 93.2 | Very high | 95.4 | Very high | 82 Ų | 82 | 23.2 Ų | 23.2 | 31% | 0.309 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.9 | 176.7 | -57.7 | -178.5 | -165.2 | -179.6 | 14.8 | 110.4 | I359 E360 N361 Q444 F458 | I359-R363 WeakPolarHBondContact CA-O 3.33Å; E360-R363 PolarHBondContact N-O 3.26Å; E360-R363 PolarHBondContact O-N 2.91Å; N361-R363 PolarHBondContact O-N 3.08Å; N361-R363 VanDerWaalsContact O-N 3.09Å; R363-Q444 VanDerWaalsContact NH2-CB 3.32Å; R363-F458 HydrophobicContact CG-CE1 3.98Å; R363-F458 HydrophobicContact CG-CZ 4.05Å |
| 364 | S | 94.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 137.7 | 170.5 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | C358 T382 G385 I387 Q486 | C358-S364 CarbonylContact O-C 3.53Å; C358-S364 WeakPolarHBondContact O-CA 3.24Å; S364-T382 PolarHBondContact O-OG1 3.42Å; S364-G385 PolarHBondContact N-O 3.02Å; S364-I387 PolarHBondContact OG-N 2.9Å; S364-Q486 PolarHBondContact OG-NE2 3.48Å |
| 365 | M | 94.6 | Very high | 95.4 | Very high | 29 Ų | 29 | 30.4 Ų | 30.4 | 14% | 0.143 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 157.1 | 173.2 | 72.4 | 179.6 | 69.2 | 0 | 0 | 111.5 | R341 S357 C358 E360 T382 | R341-M365 PolarHBondContact NH2-SD 3.16Å; S357-M365 CarbonylContact C-O 3.58Å; S357-M365 VanDerWaalsContact CA-O 3.27Å; S357-M365 WeakPolarHBondContact CA-O 3.32Å; C358-M365 HydrophobicContact CB-CG 4.21Å; C358-M365 PolarHBondContact N-O 3.33Å; C358-M365 PolarHBondContact O-N 2.84Å; E360-M365 HydrophobicContact CB-CE 3.21Å; E360-M365 HydrophobicContact CB-SD 4.44Å; E360-M365 HydrophobicContact CG-CE 4.06Å; E360-M365 WeakPolarHBondContact OE2-CE 3.23Å; M365-T382 WeakPolarHBondContact CA-OG1 3.38Å |
| 366 | I | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.8 | 175.5 | -57.7 | 168.2 | 0 | 0 | 0 | 109.1 | I356 I368 N379 I380 T382 I387 I399 I401 L424 | I356-I366 CarbonylContact O-C 3.48Å; I356-I366 VanDerWaalsContact O-CA 3.28Å; I356-I366 WeakPolarHBondContact O-CA 3.36Å; I366-I368 HydrophobicContact CG2-CD1 4.15Å; I366-N379 CarbonylContact O-C 3.57Å; I366-N379 WeakPolarHBondContact O-CA 3.46Å; I366-I380 HydrophobicContact CB-CB 4.21Å; I366-I380 HydrophobicContact CG2-CB 4.4Å; I366-I380 HydrophobicContact CG2-CD1 4.03Å; I366-I380 HydrophobicContact CG2-CG1 4.37Å; I366-I380 PolarHBondContact O-N 3.26Å; I366-T382 HydrophobicContact CB-CG2 4.48Å; I366-T382 HydrophobicContact CD1-CG2 4.14Å; I366-T382 HydrophobicContact CG1-CG2 4Å; I366-I387 HydrophobicContact CD1-CD1 3.93Å; I366-I387 HydrophobicContact CG1-CD1 3.59Å; I366-I399 HydrophobicContact CD1-CD1 4.33Å; I366-I399 HydrophobicContact CG2-CD1 4.12Å; I366-I401 HydrophobicContact CD1-CD1 4.05Å; I366-I401 HydrophobicContact CD1-CG2 3.63Å; I366-L424 HydrophobicContact CD1-CD1 4.15Å; I366-L424 HydrophobicContact CD1-CD2 4.24Å |
| 367 | S | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.4 | 174.6 | -60.9 | 0 | 0 | 0 | 0 | 109.4 | R341 I356 Y369 N379 | R341-S367 PolarHBondContact NH2-OG 2.86Å; I356-S367 PolarHBondContact N-O 2.9Å; I356-S367 PolarHBondContact O-N 2.94Å; S367-Y369 VanDerWaalsContact CB-CE2 3.45Å; S367-N379 VanDerWaalsContact CB-OD1 3.31Å; S367-N379 WeakPolarHBondContact CB-OD1 3.49Å; S367-N379 PolarHBondContact OG-OD1 2.78Å |
| 368 | I | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.5 | 178.1 | -52.4 | -63.1 | 0 | 0 | 0 | 108.7 | Y353 A355 I366 I377 K378 I380 L417 W422 | Y353-I368 HydrophobicContact CD1-CG2 4.03Å; Y353-I368 HydrophobicContact CG-CG2 3.94Å; A355-I368 HydrophobicContact CB-CD1 3.63Å; I366-I368 HydrophobicContact CG2-CD1 4.15Å; I368-I377 HydrophobicContact CG2-CD1 4.39Å; I368-I377 WeakPolarHBondContact O-CA 3.42Å; I368-I377 WeakPolarHBondContact O-CB 3.32Å; I368-I377 PolarHBondContact O-N 3.17Å; I368-K378 WeakPolarHBondContact CB-O 3.47Å; I368-K378 PolarHBondContact N-O 3.12Å; I368-K378 PolarHBondContact O-N 3.35Å; I368-I380 HydrophobicContact CD1-CD1 3.84Å; I368-I380 HydrophobicContact CD1-CG1 4.45Å; I368-I380 HydrophobicContact CG1-CD1 3.91Å; I368-I380 HydrophobicContact CG1-CG1 4.02Å; I368-L417 HydrophobicContact CD1-CD1 4.42Å; I368-L417 HydrophobicContact CD1-CD2 4.44Å; I368-W422 HydrophobicContact CB-CZ3 3.82Å; I368-W422 HydrophobicContact CG1-CE3 4.09Å; I368-W422 HydrophobicContact CG1-CZ3 3.83Å; I368-W422 HydrophobicContact CG2-CH2 4.04Å; I368-W422 HydrophobicContact CG2-CZ3 3.83Å |
| 369 | Y | 97.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 8% | 0.078 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 158.5 | 177.6 | -65.4 | -102.2 | 0 | 0 | 0 | 109.8 | I335 R341 Y353 L354 I356 S367 W371 G374 R375 Y376 | I335-Y369 HydrophobicContact CD1-CD1 3.81Å; I335-Y369 HydrophobicContact CD1-CD2 3.7Å; I335-Y369 HydrophobicContact CD1-CE1 4.01Å; I335-Y369 HydrophobicContact CD1-CE2 3.91Å; I335-Y369 HydrophobicContact CD1-CG 3.65Å; I335-Y369 HydrophobicContact CG1-CD1 4.39Å; R341-Y369 PolarHBondContact NH1-OH 3.36Å; Y353-Y369 CarbonylContact C-O 3.5Å; Y353-Y369 VanDerWaalsContact CA-O 3.28Å; Y353-Y369 WeakPolarHBondContact CA-O 3.32Å; L354-Y369 PolarHBondContact N-O 2.86Å; L354-Y369 PolarHBondContact O-N 2.85Å; I356-Y369 HydrophobicContact CD1-CD2 4Å; I356-Y369 HydrophobicContact CD1-CE2 3.25Å; I356-Y369 HydrophobicContact CG1-CD2 4.11Å; I356-Y369 HydrophobicContact CG1-CE2 3.67Å; S367-Y369 VanDerWaalsContact CB-CE2 3.45Å; Y369-W371 PolarHBondContact O-N 3.21Å; Y369-G374 VanDerWaalsContact CD1-O 3.29Å; Y369-G374 WeakPolarHBondContact CD1-O 3.38Å; Y369-R375 CarbonylContact C-O 3.57Å; Y369-R375 WeakPolarHBondContact CA-O 3.46Å; Y369-Y376 AromaticContact CE1-CD2 3.96Å; Y369-Y376 HydrophobicContact CE1-CD2 3.96Å; Y369-Y376 HydrophobicContact CE1-CG 4.33Å; Y369-Y376 HydrophobicContact CE2-CD2 4.39Å; Y369-Y376 AromaticContact CZ-CD2 3.9Å |
| 370 | D | 96.4 | Very high | 95.1 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 126.5 | 162.9 | -178.3 | -93.8 | 0 | 0 | 0 | 109.1 | N372 T373 G374 R375 I377 | D370-N372 VanDerWaalsContact C-N 3.33Å; D370-N372 PolarHBondContact O-N 3.43Å; D370-N372 PolarHBondContact OD1-N 3.03Å; D370-T373 WeakPolarHBondContact CB-OG1 3.5Å; D370-T373 VanDerWaalsContact CG-OG1 3.25Å; D370-T373 WeakPolarHBondContact OD1-CB 3.4Å; D370-T373 PolarHBondContact OD1-N 3.34Å; D370-T373 PolarHBondContact OD1-OG1 2.89Å; D370-G374 WeakPolarHBondContact O-CA 3.23Å; D370-G374 PolarHBondContact O-N 3.29Å; D370-R375 HydrophobicContact CB-CB 4.27Å; D370-R375 PolarHBondContact N-O 3.46Å; D370-I377 HydrophobicContact CB-CD1 4.25Å |
| 371 | W | 93.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 6% | 0.057 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -37 | -172.7 | -179.1 | 22.5 | 0 | 0 | 0 | 112.6 | S300 T301 Y306 C348 K352 L354 Y369 | S300-W371 VanDerWaalsContact O-CH2 3.22Å; S300-W371 WeakPolarHBondContact O-CH2 3.11Å; S300-W371 VanDerWaalsContact O-CZ2 3.29Å; S300-W371 WeakPolarHBondContact O-CZ2 3.08Å; T301-W371 HydrophobicContact CG2-CH2 4.3Å; T301-W371 HydrophobicContact CG2-CZ2 4.27Å; Y306-W371 AromaticContact CD2-CD1 3.96Å; Y306-W371 AromaticContact CD2-CE2 3.92Å; Y306-W371 HydrophobicContact CD2-CZ2 4.28Å; Y306-W371 AromaticContact CD2-NE1 3.13Å; Y306-W371 WeakPolarHBondContact CE1-O 3.5Å; Y306-W371 AromaticContact CE2-CD1 3.91Å; Y306-W371 AromaticContact CE2-CE2 3.83Å; Y306-W371 HydrophobicContact CE2-CZ2 4.26Å; Y306-W371 AromaticContact CE2-NE1 3.28Å; Y306-W371 VanDerWaalsContact CE2-NE1 3.28Å; Y306-W371 AromaticContact CG-NE1 3.62Å; Y306-W371 AromaticContact CZ-NE1 3.86Å; C348-W371 HydrophobicContact CB-CD2 4.35Å; C348-W371 HydrophobicContact CB-CH2 4.41Å; C348-W371 HydrophobicContact CB-CZ2 4.03Å; C348-W371 VanDerWaalsContact SG-CZ2 3.58Å; C348-W371 PolarHBondContact SG-NE1 3.16Å; K352-W371 VanDerWaalsContact O-CB 3.29Å; K352-W371 WeakPolarHBondContact O-CB 3.4Å; K352-W371 PolarHBondContact O-N 2.6Å; L354-W371 HydrophobicContact CB-CB 4.33Å; Y369-W371 PolarHBondContact O-N 3.21Å |
| 372 | N | 91.6 | Very high | 95 | Very high | 75 Ų | 75 | 49.5 Ų | 49.5 | 40% | 0.401 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -35.4 | -173.8 | -70.3 | -32.6 | 0 | 0 | 0 | 113.5 | T301 Y306 D370 | T301-N372 WeakPolarHBondContact CG2-OD1 3.32Å; Y306-N372 PolarHBondContact OH-OD1 3.07Å; D370-N372 VanDerWaalsContact C-N 3.33Å; D370-N372 PolarHBondContact O-N 3.43Å; D370-N372 PolarHBondContact OD1-N 3.03Å |
| 373 | T | 94.7 | Very high | 94.9 | Very high | 88 Ų | 88 | 52.5 Ų | 52.5 | 54% | 0.54 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -11.4 | -171.9 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | D370 R375 | D370-T373 WeakPolarHBondContact CB-OG1 3.5Å; D370-T373 VanDerWaalsContact CG-OG1 3.25Å; D370-T373 WeakPolarHBondContact OD1-CB 3.4Å; D370-T373 PolarHBondContact OD1-N 3.34Å; D370-T373 PolarHBondContact OD1-OG1 2.89Å; T373-R375 PolarHBondContact O-N 3.44Å; T373-R375 VanDerWaalsContact O-N 3.14Å; T373-R375 WeakPolarHBondContact OG1-CB 3.47Å; T373-R375 PolarHBondContact OG1-N 2.88Å |
| 374 | G | 95.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | trans | 68.4 | 9.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L334 Y369 D370 Y376 | L334-G374 VanDerWaalsContact CD1-N 3.33Å; Y369-G374 VanDerWaalsContact CD1-O 3.29Å; Y369-G374 WeakPolarHBondContact CD1-O 3.38Å; D370-G374 WeakPolarHBondContact O-CA 3.23Å; D370-G374 PolarHBondContact O-N 3.29Å; G374-Y376 PolarHBondContact O-N 3.35Å | ||
| 375 | R | 97.3 | Very high | 94.9 | Very high | 171 Ų | 171 | 50.2 Ų | 50.2 | 65% | 0.645 | 25% | 0.248 | S | C | * | . | trans | -69.9 | 123.9 | -178.8 | -174 | -178.7 | 65.5 | 153 | 0.1 | 110.1 | Y369 D370 T373 I377 | Y369-R375 CarbonylContact C-O 3.57Å; Y369-R375 WeakPolarHBondContact CA-O 3.46Å; D370-R375 HydrophobicContact CB-CB 4.27Å; D370-R375 PolarHBondContact N-O 3.46Å; T373-R375 PolarHBondContact O-N 3.44Å; T373-R375 VanDerWaalsContact O-N 3.14Å; T373-R375 WeakPolarHBondContact OG1-CB 3.47Å; T373-R375 PolarHBondContact OG1-N 2.88Å; R375-I377 PolarHBondContact O-N 2.96Å | ||
| 376 | Y | 97.1 | Very high | 95 | Very high | 114 Ų | 114 | 51.1 Ų | 51.1 | 45% | 0.447 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 133.5 | 172.6 | 173.1 | -101.9 | 0 | 0 | 0 | 111.4 | Y369 G374 N379 | Y369-Y376 AromaticContact CE1-CD2 3.96Å; Y369-Y376 HydrophobicContact CE1-CD2 3.96Å; Y369-Y376 HydrophobicContact CE1-CG 4.33Å; Y369-Y376 HydrophobicContact CE2-CD2 4.39Å; Y369-Y376 AromaticContact CZ-CD2 3.9Å; G374-Y376 PolarHBondContact O-N 3.35Å; Y376-N379 WeakPolarHBondContact CE2-OD1 3.28Å; Y376-N379 PolarHBondContact OH-N 3.33Å; Y376-N379 PolarHBondContact OH-OD1 2.94Å |
| 377 | I | 96.1 | Very high | 94.9 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 30% | 0.297 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -66 | 176.7 | -59.2 | 177 | 0 | 0 | 0 | 109.7 | Y353 I368 D370 R375 W422 | Y353-I377 HydrophobicContact CD1-CD1 3.46Å; Y353-I377 VanDerWaalsContact CD1-CD1 3.46Å; Y353-I377 HydrophobicContact CE1-CD1 3.46Å; Y353-I377 VanDerWaalsContact CE1-CD1 3.46Å; I368-I377 HydrophobicContact CG2-CD1 4.39Å; I368-I377 WeakPolarHBondContact O-CA 3.42Å; I368-I377 WeakPolarHBondContact O-CB 3.32Å; I368-I377 PolarHBondContact O-N 3.17Å; D370-I377 HydrophobicContact CB-CD1 4.25Å; R375-I377 PolarHBondContact O-N 2.96Å; I377-W422 HydrophobicContact CG2-CH2 4.05Å; I377-W422 HydrophobicContact CG2-CZ3 4.15Å |
| 378 | K | 94.6 | Very high | 94.9 | Very high | 106 Ų | 106 | 54.5 Ų | 54.5 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 149.7 | -173.7 | -163.2 | 178.2 | 172 | 179.2 | 0 | 112.3 | I368 W422 | I368-K378 WeakPolarHBondContact CB-O 3.47Å; I368-K378 PolarHBondContact N-O 3.12Å; I368-K378 PolarHBondContact O-N 3.35Å; K378-W422 HydrophobicContact CB-CE3 4.48Å; K378-W422 HydrophobicContact CB-CZ3 4.21Å |
| 379 | N | 94.8 | Very high | 94.8 | Very high | 60 Ų | 60 | 55.6 Ų | 55.6 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 140.2 | 164.7 | -70.2 | -17.2 | 0 | 0 | 0 | 111.7 | I366 S367 Y376 | I366-N379 CarbonylContact O-C 3.57Å; I366-N379 WeakPolarHBondContact O-CA 3.46Å; S367-N379 VanDerWaalsContact CB-OD1 3.31Å; S367-N379 WeakPolarHBondContact CB-OD1 3.49Å; S367-N379 PolarHBondContact OG-OD1 2.78Å; Y376-N379 WeakPolarHBondContact CE2-OD1 3.28Å; Y376-N379 PolarHBondContact OH-N 3.33Å; Y376-N379 PolarHBondContact OH-OD1 2.94Å |
| 380 | I | 94.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.2 | 164.7 | -54.7 | 177.3 | 0 | 0 | 0 | 106.9 | I366 I368 T382 I399 C415 L417 W422 L424 | I366-I380 HydrophobicContact CB-CB 4.21Å; I366-I380 HydrophobicContact CG2-CB 4.4Å; I366-I380 HydrophobicContact CG2-CD1 4.03Å; I366-I380 HydrophobicContact CG2-CG1 4.37Å; I366-I380 PolarHBondContact O-N 3.26Å; I368-I380 HydrophobicContact CD1-CD1 3.84Å; I368-I380 HydrophobicContact CD1-CG1 4.45Å; I368-I380 HydrophobicContact CG1-CD1 3.91Å; I368-I380 HydrophobicContact CG1-CG1 4.02Å; I380-T382 PolarHBondContact O-N 2.91Å; I380-I399 HydrophobicContact CD1-CD1 3.6Å; I380-C415 HydrophobicContact CD1-CB 4.25Å; I380-L417 HydrophobicContact CD1-CD2 4.11Å; I380-W422 HydrophobicContact CG1-CB 4.32Å; I380-W422 HydrophobicContact CG1-CE3 4.48Å; I380-L424 HydrophobicContact CG2-CD1 4.3Å; I380-L424 HydrophobicContact CG2-CG 3.85Å |
| 381 | I | 92.2 | Very high | 94.6 | Very high | 157 Ų | 157 | 56.9 Ų | 56.9 | 81% | 0.805 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 123.4 | -179.1 | -65.3 | 165.9 | 0 | 0 | 0 | 109 | ||
| 382 | T | 91.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 57 Ų | 57 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | trans | -110.1 | 141.3 | 174.9 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | S364 M365 I366 I380 I387 L424 | S364-T382 PolarHBondContact O-OG1 3.42Å; M365-T382 WeakPolarHBondContact CA-OG1 3.38Å; I366-T382 HydrophobicContact CB-CG2 4.48Å; I366-T382 HydrophobicContact CD1-CG2 4.14Å; I366-T382 HydrophobicContact CG1-CG2 4Å; I380-T382 PolarHBondContact O-N 2.91Å; T382-I387 HydrophobicContact CG2-CD1 4.17Å; T382-L424 HydrophobicContact CG2-CD1 3.79Å | ||
| 383 | P | 91.4 | Very high | 94.5 | Very high | 62 Ų | 62 | 55 Ų | 55 | 40% | 0.403 | 27% | 0.273 | S | S | . | . | trans | -63.3 | 165 | 168 | -17.8 | 31 | 0 | 0 | 0 | 111.8 | G385 F403 | P383-G385 PolarHBondContact O-N 3.22Å; P383-G385 VanDerWaalsContact O-N 3.1Å; P383-F403 HydrophobicContact CB-CE1 4.31Å; P383-F403 HydrophobicContact CB-CE2 4.45Å; P383-F403 HydrophobicContact CB-CZ 3.8Å; P383-F403 HydrophobicContact CG-CZ 4.31Å | ||
| 384 | I | 94.2 | Very high | 94.2 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 19% | 0.185 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -67.5 | 112.3 | 172.3 | -63.5 | 177.7 | 0 | 0 | 0 | 109 | T405 I442 F458 P487 | I384-T405 WeakPolarHBondContact O-CB 3.47Å; I384-T405 PolarHBondContact O-OG1 3.22Å; I384-I442 HydrophobicContact CB-CG2 4.28Å; I384-I442 HydrophobicContact CG2-CG2 3.68Å; I384-F458 HydrophobicContact CG2-CD1 3.76Å; I384-F458 HydrophobicContact CG2-CE1 3.58Å; I384-P487 HydrophobicContact CG2-CG 4Å |
| 385 | G | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 175.8 | -158.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S364 P383 F403 A404 | S364-G385 PolarHBondContact N-O 3.02Å; P383-G385 PolarHBondContact O-N 3.22Å; P383-G385 VanDerWaalsContact O-N 3.1Å; G385-F403 VanDerWaalsContact CA-CE2 3.5Å; G385-A404 WeakPolarHBondContact CA-O 3.49Å |
| 386 | R | 95.5 | Very high | 93.6 | Very high | 48 Ų | 48 | 47.5 Ų | 47.5 | 18% | 0.181 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.6 | -178 | 176.7 | 171.8 | 175.8 | 178.6 | 4.2 | 110.6 | Y388 F403 A404 Q486 P487 | R386-Y388 HydrophobicContact CB-CD2 4.4Å; R386-Y388 HydrophobicContact CB-CE2 3.87Å; R386-Y388 VanDerWaalsContact CD-CZ 3.48Å; R386-Y388 HydrophobicContact CG-CD2 3.94Å; R386-Y388 HydrophobicContact CG-CE2 3.65Å; R386-Y388 HydrophobicContact CG-CG 4.49Å; R386-F403 WeakPolarHBondContact O-CA 3.34Å; R386-F403 WeakPolarHBondContact O-CD2 3.3Å; R386-A404 PolarHBondContact N-O 3.02Å; R386-A404 PolarHBondContact O-N 3.35Å; R386-Q486 HydrophobicContact CB-CB 4.09Å; R386-Q486 HydrophobicContact CG-CB 4.38Å; R386-P487 VanDerWaalsContact CB-O 3.28Å; R386-P487 WeakPolarHBondContact CB-O 3.16Å |
| 387 | I | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.7 | 166.7 | -65.9 | 174.9 | 0 | 0 | 0 | 107.4 | Y345 S364 I366 T382 S389 I401 Q402 F403 | Y345-I387 HydrophobicContact CD2-CG2 4.41Å; Y345-I387 HydrophobicContact CE2-CG2 4.46Å; S364-I387 PolarHBondContact OG-N 2.9Å; I366-I387 HydrophobicContact CD1-CD1 3.93Å; I366-I387 HydrophobicContact CG1-CD1 3.59Å; T382-I387 HydrophobicContact CG2-CD1 4.17Å; I387-S389 WeakPolarHBondContact CG2-O 3.34Å; I387-I401 HydrophobicContact CD1-CD1 4.21Å; I387-I401 HydrophobicContact CD1-CG2 4.47Å; I387-I401 HydrophobicContact CG1-CD1 4.26Å; I387-I401 HydrophobicContact CG2-CB 4.27Å; I387-I401 HydrophobicContact CG2-CG2 4.29Å; I387-Q402 CarbonylContact C-O 3.51Å; I387-Q402 WeakPolarHBondContact CA-O 3.24Å; I387-F403 HydrophobicContact CG1-CD2 4.36Å |
| 388 | Y | 94.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 28% | 0.275 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -19.9 | 177.1 | -74.1 | -95.1 | 0 | 0 | 0 | 112.7 | Y345 R386 Q402 A404 | Y345-Y388 PolarHBondContact OH-O 2.86Å; R386-Y388 HydrophobicContact CB-CD2 4.4Å; R386-Y388 HydrophobicContact CB-CE2 3.87Å; R386-Y388 VanDerWaalsContact CD-CZ 3.48Å; R386-Y388 HydrophobicContact CG-CD2 3.94Å; R386-Y388 HydrophobicContact CG-CE2 3.65Å; R386-Y388 HydrophobicContact CG-CG 4.49Å; Y388-Q402 PolarHBondContact N-O 3.49Å; Y388-A404 HydrophobicContact CD2-CB 4.14Å; Y388-A404 HydrophobicContact CE2-CB 3.51Å |
| 389 | S | 95.1 | Very high | 93.4 | Very high | 24 Ų | 24 | 36.2 Ų | 36.2 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 149.2 | 173.9 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | C81 I387 I401 Q402 | C81-S389 PolarHBondContact SG-OG 3.03Å; I387-S389 WeakPolarHBondContact CG2-O 3.34Å; S389-I401 VanDerWaalsContact O-CA 3.25Å; S389-I401 WeakPolarHBondContact O-CA 3.38Å; S389-Q402 PolarHBondContact O-N 2.87Å; S389-Q402 WeakPolarHBondContact OG-CB 3.47Å |
| 390 | L | 96.2 | Very high | 93.5 | Very high | 12 Ų | 12 | 33.4 Ų | 33.4 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 112 | 170 | 172.1 | 65.5 | 0 | 0 | 0 | 106.8 | Y345 T347 A355 I399 I401 | Y345-L390 HydrophobicContact CG-CB 4.35Å; T347-L390 HydrophobicContact CG2-CD2 4.21Å; T347-L390 HydrophobicContact CG2-CG 4.01Å; A355-L390 HydrophobicContact CB-CD2 4.32Å; L390-I399 HydrophobicContact CD1-CB 4.23Å; L390-I399 HydrophobicContact CD1-CD1 4.37Å; L390-I401 HydrophobicContact CB-CG2 4.49Å; L390-I401 HydrophobicContact CD1-CG2 3.64Å |
| 391 | I | 95 | Very high | 93.6 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 28% | 0.282 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.3 | -179.8 | -59.8 | -66.9 | 0 | 0 | 0 | 108.6 | C81 L83 I399 F400 | C81-I391 HydrophobicContact CB-CB 4.02Å; C81-I391 HydrophobicContact CB-CG1 3.51Å; L83-I391 HydrophobicContact CD2-CG2 4.07Å; I391-I399 WeakPolarHBondContact O-CA 3.41Å; I391-F400 PolarHBondContact N-O 3.1Å; I391-F400 PolarHBondContact O-N 2.88Å |
| 392 | G | 92.4 | Very high | 93.7 | Very high | 19 Ų | 19 | 27.7 Ų | 27.7 | 20% | 0.196 | 15% | 0.148 | C | C | . | . | trans | -140.8 | 168.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 393 | H | 89.9 | Confident | 93.9 | Very high | 32 Ų | 32 | 26.4 Ų | 26.4 | 15% | 0.148 | 14% | 0.14 | C | C | . | . | trans | -135.2 | 136.8 | 169.3 | -173.4 | -101.1 | 0 | 0 | 0 | 108.9 | C348 I349 T395 S396 | C348-H393 CarbonylContact O-C 3.54Å; I349-H393 WeakPolarHBondContact CD1-O 3.25Å; H393-T395 PolarHBondContact CE1-OG1 2.93Å; H393-T395 VanDerWaalsContact CE1-OG1 3.25Å; H393-T395 PolarHBondContact ND1-N 3.12Å; H393-T395 PolarHBondContact ND1-OG1 3.17Å; H393-T395 PolarHBondContact O-N 3.44Å; H393-S396 WeakPolarHBondContact O-CA 3.3Å; H393-S396 WeakPolarHBondContact O-CB 3.32Å; H393-S396 PolarHBondContact O-N 3.37Å | ||
| 394 | Y | 88.6 | Confident | 94 | Very high | 37 Ų | 37 | 23.4 Ų | 23.4 | 15% | 0.145 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.2 | -170.7 | 81.9 | -80.5 | 0 | 0 | 0 | 114.1 | E247 C348 N350 R351 | E247-Y394 HydrophobicContact CB-CD1 3.47Å; E247-Y394 VanDerWaalsContact CB-CD1 3.47Å; E247-Y394 HydrophobicContact CB-CD2 3.97Å; E247-Y394 HydrophobicContact CB-CE1 3.85Å; E247-Y394 HydrophobicContact CB-CE2 4.3Å; E247-Y394 HydrophobicContact CB-CG 3.53Å; E247-Y394 VanDerWaalsContact CG-CB 3.45Å; E247-Y394 HydrophobicContact CG-CD1 3.63Å; E247-Y394 HydrophobicContact CG-CD2 4.38Å; E247-Y394 HydrophobicContact CG-CE1 4.47Å; E247-Y394 HydrophobicContact CG-CG 3.56Å; E247-Y394 WeakPolarHBondContact O-CE1 3.36Å; E247-Y394 PolarHBondContact O-OH 3.13Å; C348-Y394 WeakPolarHBondContact O-CA 3.14Å; C348-Y394 PolarHBondContact O-N 3.5Å; N350-Y394 CarbonylContact C-O 3.47Å; N350-Y394 PolarHBondContact N-O 3Å; R351-Y394 HydrophobicContact CG-CD2 4.29Å; R351-Y394 VanDerWaalsContact CG-O 3.27Å; R351-Y394 WeakPolarHBondContact CG-O 3.37Å; R351-Y394 PolarHBondContact N-O 3.35Å |
| 395 | T | 89.5 | Confident | 94 | Very high | 62 Ų | 62 | 21.9 Ų | 21.9 | 38% | 0.38 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -15.5 | 174.5 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | H393 | H393-T395 PolarHBondContact CE1-OG1 2.93Å; H393-T395 VanDerWaalsContact CE1-OG1 3.25Å; H393-T395 PolarHBondContact ND1-N 3.12Å; H393-T395 PolarHBondContact ND1-OG1 3.17Å; H393-T395 PolarHBondContact O-N 3.44Å |
| 396 | S | 91.5 | Very high | 93.9 | Very high | 13 Ų | 13 | 21.9 Ų | 21.9 | 9% | 0.091 | 11% | 0.113 | C | C | . | . | trans | -85.2 | 145.5 | -179.9 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | I349 N350 H393 Q398 | I349-S396 WeakPolarHBondContact CD1-O 3.4Å; I349-S396 VanDerWaalsContact CG1-O 3.28Å; I349-S396 WeakPolarHBondContact CG1-O 3.3Å; N350-S396 VanDerWaalsContact CA-O 3.24Å; N350-S396 WeakPolarHBondContact CA-O 3.43Å; N350-S396 PolarHBondContact N-O 2.84Å; H393-S396 WeakPolarHBondContact O-CA 3.3Å; H393-S396 WeakPolarHBondContact O-CB 3.32Å; H393-S396 PolarHBondContact O-N 3.37Å; S396-Q398 VanDerWaalsContact C-N 3.33Å; S396-Q398 PolarHBondContact OG-N 2.65Å; S396-Q398 PolarHBondContact OG-O 3.35Å | ||
| 397 | S | 92.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 20.1 Ų | 20.1 | 11% | 0.112 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -86.1 | -8.8 | 166.5 | 62.2 | 0 | 0 | 0 | 0 | 112.8 | D416 L417 N418 | S397-D416 VanDerWaalsContact CB-OD1 3.29Å; S397-D416 WeakPolarHBondContact CB-OD1 3.33Å; S397-D416 PolarHBondContact OG-OD1 2.78Å; S397-L417 WeakPolarHBondContact O-CB 3.2Å; S397-L417 WeakPolarHBondContact O-CG 3.45Å; S397-L417 PolarHBondContact O-N 2.87Å; S397-N418 VanDerWaalsContact CB-ND2 3.28Å; S397-N418 WeakPolarHBondContact CB-ND2 3.12Å; S397-N418 WeakPolarHBondContact CB-OD1 3.35Å; S397-N418 PolarHBondContact OG-ND2 2.97Å |
| 398 | Q | 94.2 | Very high | 93.5 | Very high | 25 Ų | 25 | 21.9 Ų | 21.9 | 12% | 0.117 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.1 | -171.9 | -62 | 175.2 | -15.2 | 0 | 0 | 111.6 | Y89 I349 S396 F400 C415 D416 | Y89-Q398 VanDerWaalsContact CE1-OE1 3.3Å; Y89-Q398 PolarHBondContact OH-NE2 3.39Å; Y89-Q398 PolarHBondContact OH-OE1 2.86Å; Y89-Q398 VanDerWaalsContact OH-OE1 3.07Å; I349-Q398 WeakPolarHBondContact CD1-O 3.41Å; S396-Q398 VanDerWaalsContact C-N 3.33Å; S396-Q398 PolarHBondContact OG-N 2.65Å; S396-Q398 PolarHBondContact OG-O 3.35Å; Q398-F400 HydrophobicContact CB-CE2 3.94Å; Q398-F400 HydrophobicContact CB-CZ 4.44Å; Q398-C415 WeakPolarHBondContact CA-O 3.48Å; Q398-D416 HydrophobicContact CG-CB 4.12Å |
| 399 | I | 95.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 144.9 | 164.6 | 61.3 | 173.7 | 0 | 0 | 0 | 109.6 | I349 A355 I366 I380 L390 I391 Y414 C415 L417 | I349-I399 HydrophobicContact CB-CG2 4.25Å; I349-I399 HydrophobicContact CD1-CG2 3.96Å; I349-I399 HydrophobicContact CG1-CG2 3.75Å; I349-I399 HydrophobicContact CG2-CG2 4.23Å; A355-I399 HydrophobicContact CB-CG2 4.13Å; I366-I399 HydrophobicContact CD1-CD1 4.33Å; I366-I399 HydrophobicContact CG2-CD1 4.12Å; I380-I399 HydrophobicContact CD1-CD1 3.6Å; L390-I399 HydrophobicContact CD1-CB 4.23Å; L390-I399 HydrophobicContact CD1-CD1 4.37Å; I391-I399 WeakPolarHBondContact O-CA 3.41Å; I399-Y414 CarbonylContact O-C 3.58Å; I399-Y414 WeakPolarHBondContact O-CA 3.45Å; I399-Y414 VanDerWaalsContact O-CB 3.31Å; I399-Y414 WeakPolarHBondContact O-CB 3.35Å; I399-C415 HydrophobicContact CD1-CB 4.13Å; I399-C415 HydrophobicContact CG1-CB 3.83Å; I399-C415 PolarHBondContact N-O 2.81Å; I399-C415 PolarHBondContact O-N 3.09Å; I399-L417 HydrophobicContact CG2-CD1 4.44Å |
| 400 | F | 96.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.5 | 172 | -66.9 | -93.3 | 0 | 0 | 0 | 109.7 | C81 V84 Y89 I391 Q398 I412 M413 Y414 F427 | C81-F400 HydrophobicContact CB-CB 4.05Å; V84-F400 HydrophobicContact CG2-CE2 3.72Å; V84-F400 HydrophobicContact CG2-CZ 4.5Å; Y89-F400 HydrophobicContact CD1-CE2 4.45Å; Y89-F400 AromaticContact CD1-CZ 3.92Å; Y89-F400 HydrophobicContact CD1-CZ 3.92Å; Y89-F400 HydrophobicContact CE1-CE2 4.26Å; Y89-F400 AromaticContact CE1-CZ 3.68Å; Y89-F400 HydrophobicContact CE1-CZ 3.68Å; I391-F400 PolarHBondContact N-O 3.1Å; I391-F400 PolarHBondContact O-N 2.88Å; Q398-F400 HydrophobicContact CB-CE2 3.94Å; Q398-F400 HydrophobicContact CB-CZ 4.44Å; F400-I412 HydrophobicContact CD1-CG2 4.16Å; F400-M413 CarbonylContact C-O 3.56Å; F400-M413 WeakPolarHBondContact CA-O 3.36Å; F400-Y414 HydrophobicContact CE1-CG 4.23Å; F400-F427 HydrophobicContact CD1-CD1 4.29Å; F400-F427 HydrophobicContact CD1-CG 4.46Å; F400-F427 AromaticContact CE1-CD1 3.85Å; F400-F427 HydrophobicContact CE1-CD1 3.85Å; F400-F427 HydrophobicContact CE1-CD2 4.14Å; F400-F427 HydrophobicContact CE1-CE1 4.02Å; F400-F427 HydrophobicContact CE1-CE2 4.3Å; F400-F427 AromaticContact CE1-CG 3.91Å; F400-F427 HydrophobicContact CE1-CG 3.91Å; F400-F427 HydrophobicContact CE1-CZ 4.25Å |
| 401 | I | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 146.4 | 172 | 63.9 | 172.9 | 0 | 0 | 0 | 111.1 | I366 I387 S389 L390 F403 I412 M413 L424 | I366-I401 HydrophobicContact CD1-CD1 4.05Å; I366-I401 HydrophobicContact CD1-CG2 3.63Å; I387-I401 HydrophobicContact CD1-CD1 4.21Å; I387-I401 HydrophobicContact CD1-CG2 4.47Å; I387-I401 HydrophobicContact CG1-CD1 4.26Å; I387-I401 HydrophobicContact CG2-CB 4.27Å; I387-I401 HydrophobicContact CG2-CG2 4.29Å; S389-I401 VanDerWaalsContact O-CA 3.25Å; S389-I401 WeakPolarHBondContact O-CA 3.38Å; L390-I401 HydrophobicContact CB-CG2 4.49Å; L390-I401 HydrophobicContact CD1-CG2 3.64Å; I401-F403 HydrophobicContact CD1-CB 4.26Å; I401-I412 WeakPolarHBondContact O-CA 3.37Å; I401-M413 HydrophobicContact CD1-CB 4.1Å; I401-M413 HydrophobicContact CD1-SD 4.27Å; I401-M413 HydrophobicContact CG1-CB 3.74Å; I401-M413 HydrophobicContact CG1-CG 4.48Å; I401-M413 PolarHBondContact N-O 3.13Å; I401-M413 PolarHBondContact O-N 3.12Å; I401-L424 HydrophobicContact CD1-CD1 3.62Å; I401-L424 HydrophobicContact CD1-CD2 3.79Å; I401-L424 HydrophobicContact CD1-CG 4.35Å; I401-L424 HydrophobicContact CG1-CD2 4.16Å |
| 402 | Q | 95.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 16 Ų | 16 | 18% | 0.182 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 110.9 | 165.9 | -174.4 | -179.9 | 50.9 | 0 | 0 | 107.2 | Y79 C81 I387 Y388 S389 C410 I412 | Y79-Q402 PolarHBondContact O-NE2 3.29Å; C81-Q402 PolarHBondContact SG-N 2.89Å; I387-Q402 CarbonylContact C-O 3.51Å; I387-Q402 WeakPolarHBondContact CA-O 3.24Å; Y388-Q402 PolarHBondContact N-O 3.49Å; S389-Q402 PolarHBondContact O-N 2.87Å; S389-Q402 WeakPolarHBondContact OG-CB 3.47Å; Q402-C410 HydrophobicContact CG-CB 4.25Å; Q402-I412 HydrophobicContact CB-CD1 3.99Å; Q402-I412 HydrophobicContact CG-CD1 3.94Å |
| 403 | F | 94.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.009 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.1 | -174.3 | 176.7 | -94.2 | 0 | 0 | 0 | 110.7 | P383 G385 R386 I387 I401 T405 C410 T411 M413 | P383-F403 HydrophobicContact CB-CE1 4.31Å; P383-F403 HydrophobicContact CB-CE2 4.45Å; P383-F403 HydrophobicContact CB-CZ 3.8Å; P383-F403 HydrophobicContact CG-CZ 4.31Å; G385-F403 VanDerWaalsContact CA-CE2 3.5Å; R386-F403 WeakPolarHBondContact O-CA 3.34Å; R386-F403 WeakPolarHBondContact O-CD2 3.3Å; I387-F403 HydrophobicContact CG1-CD2 4.36Å; I401-F403 HydrophobicContact CD1-CB 4.26Å; F403-T405 HydrophobicContact CE1-CG2 4.17Å; F403-C410 CarbonylContact O-C 3.51Å; F403-C410 WeakPolarHBondContact O-CA 2.87Å; F403-T411 PolarHBondContact N-O 3.48Å; F403-T411 PolarHBondContact O-N 3.32Å; F403-M413 HydrophobicContact CB-SD 4.17Å; F403-M413 HydrophobicContact CD1-SD 4.37Å; F403-M413 HydrophobicContact CG-SD 4.29Å |
| 404 | A | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 158.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G385 R386 Y388 E408 P409 | G385-A404 WeakPolarHBondContact CA-O 3.49Å; R386-A404 PolarHBondContact N-O 3.02Å; R386-A404 PolarHBondContact O-N 3.35Å; Y388-A404 HydrophobicContact CD2-CB 4.14Å; Y388-A404 HydrophobicContact CE2-CB 3.51Å; A404-E408 WeakPolarHBondContact CA-O 3.45Å; A404-E408 WeakPolarHBondContact CB-O 3.43Å; A404-P409 WeakPolarHBondContact CB-O 3.04Å |
| 405 | T | 94 | Very high | 93.2 | Very high | 4 Ų | 4 | 15 Ų | 15 | 3% | 0.025 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | -178.1 | 169.2 | -161.9 | 0 | 0 | 0 | 0 | 109.9 | I384 F403 N407 E408 I442 Y488 Y489 | I384-T405 WeakPolarHBondContact O-CB 3.47Å; I384-T405 PolarHBondContact O-OG1 3.22Å; F403-T405 HydrophobicContact CE1-CG2 4.17Å; T405-N407 VanDerWaalsContact C-N 3.25Å; T405-N407 WeakPolarHBondContact CG2-OD1 3.46Å; T405-N407 PolarHBondContact O-N 3.45Å; T405-N407 VanDerWaalsContact O-N 3.14Å; T405-E408 HydrophobicContact CG2-CB 3.97Å; T405-E408 HydrophobicContact CG2-CG 4.15Å; T405-E408 PolarHBondContact N-O 2.96Å; T405-E408 PolarHBondContact O-N 2.77Å; T405-E408 VanDerWaalsContact O-N 3.1Å; T405-I442 HydrophobicContact CG2-CD1 3.92Å; T405-I442 WeakPolarHBondContact OG1-CD1 3.38Å; T405-Y488 CarbonylContact O-C 3.58Å; T405-Y489 WeakPolarHBondContact O-CA 3.17Å; T405-Y489 PolarHBondContact O-N 3.3Å |
| 406 | F | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -34.2 | -171.8 | -62 | -59.7 | 0 | 0 | 0 | 114.7 | I442 F458 F460 P487 Y488 S490 F504 L506 | F406-I442 HydrophobicContact CB-CD1 4.34Å; F406-I442 HydrophobicContact CD2-CD1 3.96Å; F406-I442 HydrophobicContact CD2-CG1 4.24Å; F406-I442 HydrophobicContact CD2-CG2 4.27Å; F406-I442 HydrophobicContact CE2-CG2 4.35Å; F406-F458 HydrophobicContact CE2-CB 3.9Å; F406-F458 HydrophobicContact CZ-CB 4.27Å; F406-F460 HydrophobicContact CB-CB 4.43Å; F406-F460 HydrophobicContact CB-CD1 3.29Å; F406-F460 HydrophobicContact CB-CD2 4.16Å; F406-F460 HydrophobicContact CB-CE1 3.4Å; F406-F460 HydrophobicContact CB-CE2 4.19Å; F406-F460 HydrophobicContact CB-CG 3.72Å; F406-F460 HydrophobicContact CB-CZ 3.9Å; F406-F460 HydrophobicContact CD2-CB 3.7Å; F406-F460 HydrophobicContact CD2-CD1 4.14Å; F406-F460 AromaticContact CD2-CG 3.9Å; F406-F460 HydrophobicContact CD2-CG 3.9Å; F406-F460 HydrophobicContact CE2-CB 4.3Å; F406-F460 HydrophobicContact CG-CB 4.29Å; F406-F460 AromaticContact CG-CD1 3.87Å; F406-F460 HydrophobicContact CG-CD1 3.87Å; F406-F460 HydrophobicContact CG-CE1 4.44Å; F406-F460 HydrophobicContact CG-CG 4.11Å; F406-P487 HydrophobicContact CD2-CB 4.13Å; F406-P487 HydrophobicContact CE1-CB 4.17Å; F406-P487 HydrophobicContact CE2-CB 3.74Å; F406-P487 HydrophobicContact CE2-CG 4.18Å; F406-P487 HydrophobicContact CZ-CB 3.75Å; F406-P487 HydrophobicContact CZ-CG 4.3Å; F406-Y488 VanDerWaalsContact CA-O 3.26Å; F406-Y488 WeakPolarHBondContact CA-O 3.17Å; F406-Y488 WeakPolarHBondContact CD1-O 3.32Å; F406-Y488 HydrophobicContact CE1-CD1 4.03Å; F406-Y488 HydrophobicContact CE1-CE1 4.01Å; F406-S490 PolarHBondContact O-N 3.43Å; F406-F504 HydrophobicContact CD1-CD1 4.26Å; F406-F504 AromaticContact CD1-CE1 3.98Å; F406-F504 HydrophobicContact CD1-CE1 3.98Å; F406-F504 HydrophobicContact CE1-CD1 4.18Å; F406-F504 AromaticContact CE1-CE1 3.55Å; F406-F504 HydrophobicContact CE1-CE1 3.55Å; F406-F504 HydrophobicContact CE2-CE1 4.49Å; F406-F504 HydrophobicContact CZ-CD1 4.33Å; F406-F504 AromaticContact CZ-CE1 3.82Å; F406-F504 HydrophobicContact CZ-CE1 3.82Å; F406-L506 HydrophobicContact CE1-CD2 4.13Å; F406-L506 HydrophobicContact CZ-CB 4.14Å; F406-L506 HydrophobicContact CZ-CD2 3.79Å |
| 407 | N | 92.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 13.1 Ų | 13.1 | 6% | 0.059 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -7.2 | 177 | 61.4 | -62.4 | 0 | 0 | 0 | 115.3 | T405 D437 Y440 F460 L494 | T405-N407 VanDerWaalsContact C-N 3.25Å; T405-N407 WeakPolarHBondContact CG2-OD1 3.46Å; T405-N407 PolarHBondContact O-N 3.45Å; T405-N407 VanDerWaalsContact O-N 3.14Å; N407-D437 PolarHBondContact ND2-OD1 2.87Å; N407-Y440 HydrophobicContact CB-CD2 4.1Å; N407-Y440 HydrophobicContact CB-CG 4.36Å; N407-F460 HydrophobicContact CB-CE2 4.04Å; N407-F460 HydrophobicContact CB-CZ 3.73Å; N407-L494 HydrophobicContact CB-CD2 3.83Å |
| 408 | E | 90.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 17.5 Ų | 17.5 | 17% | 0.173 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 117.1 | -174.9 | -62.4 | 179.7 | -151.6 | 0 | 0 | 111.2 | A404 T405 T411 | A404-E408 WeakPolarHBondContact CA-O 3.45Å; A404-E408 WeakPolarHBondContact CB-O 3.43Å; T405-E408 HydrophobicContact CG2-CB 3.97Å; T405-E408 HydrophobicContact CG2-CG 4.15Å; T405-E408 PolarHBondContact N-O 2.96Å; T405-E408 PolarHBondContact O-N 2.77Å; T405-E408 VanDerWaalsContact O-N 3.1Å; E408-T411 PolarHBondContact OE2-OG1 3.21Å |
| 409 | P | 86.3 | Confident | 93.4 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 5% | 0.052 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | -63.4 | -172.9 | 21.4 | -29.3 | 0 | 0 | 0 | 115 | F76 A404 S430 P432 Y489 | F76-P409 HydrophobicContact CD1-CG 4.37Å; F76-P409 HydrophobicContact CD2-CB 3.94Å; F76-P409 HydrophobicContact CD2-CG 3.93Å; F76-P409 HydrophobicContact CE1-CB 4.01Å; F76-P409 HydrophobicContact CE1-CG 4.32Å; F76-P409 HydrophobicContact CE2-CB 3.37Å; F76-P409 HydrophobicContact CE2-CG 3.89Å; F76-P409 HydrophobicContact CG-CB 4.47Å; F76-P409 HydrophobicContact CG-CG 4.16Å; F76-P409 HydrophobicContact CZ-CB 3.4Å; F76-P409 HydrophobicContact CZ-CG 4.08Å; A404-P409 WeakPolarHBondContact CB-O 3.04Å; P409-S430 WeakPolarHBondContact CD-O 3.49Å; P409-S430 WeakPolarHBondContact CG-O 3.47Å; P409-P432 HydrophobicContact CG-CG 4.39Å; P409-Y489 VanDerWaalsContact CA-CB 3.44Å; P409-Y489 HydrophobicContact CB-CD1 3.71Å; P409-Y489 HydrophobicContact CB-CD2 3.98Å; P409-Y489 HydrophobicContact CB-CE1 4Å; P409-Y489 HydrophobicContact CB-CE2 4.24Å; P409-Y489 HydrophobicContact CB-CG 3.69Å; P409-Y489 HydrophobicContact CG-CD2 4.41Å; P409-Y489 HydrophobicContact CG-CE2 4.34Å |
| 410 | C | 87.3 | Confident | 93 | Very high | 29 Ų | 29 | 28 Ų | 28 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 94.1 | 179.5 | -88.2 | 0 | 0 | 0 | 0 | 107.6 | Q402 F403 S430 | Q402-C410 HydrophobicContact CG-CB 4.25Å; F403-C410 CarbonylContact O-C 3.51Å; F403-C410 WeakPolarHBondContact O-CA 2.87Å; C410-S430 VanDerWaalsContact O-CB 3.23Å; C410-S430 WeakPolarHBondContact O-CB 3.42Å; C410-S430 PolarHBondContact O-N 3.41Å; C410-S430 PolarHBondContact O-OG 2.94Å; C410-S430 VanDerWaalsContact O-OG 3.05Å |
| 411 | T | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123.7 | 173.9 | -58 | 0 | 0 | 0 | 0 | 108.3 | F403 E408 M413 V426 K429 | F403-T411 PolarHBondContact N-O 3.48Å; F403-T411 PolarHBondContact O-N 3.32Å; E408-T411 PolarHBondContact OE2-OG1 3.21Å; T411-M413 HydrophobicContact CG2-CG 3.87Å; T411-M413 PolarHBondContact O-N 3.27Å; T411-V426 HydrophobicContact CG2-CB 4.41Å; T411-V426 HydrophobicContact CG2-CG1 3.86Å; T411-V426 HydrophobicContact CG2-CG2 3.97Å; T411-K429 HydrophobicContact CG2-CG 4.38Å |
| 412 | I | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 114.8 | 168.9 | -52.5 | -54 | 0 | 0 | 0 | 107.1 | F400 I401 Q402 F427 R428 | F400-I412 HydrophobicContact CD1-CG2 4.16Å; I401-I412 WeakPolarHBondContact O-CA 3.37Å; Q402-I412 HydrophobicContact CB-CD1 3.99Å; Q402-I412 HydrophobicContact CG-CD1 3.94Å; I412-F427 HydrophobicContact CG2-CB 4.22Å; I412-F427 HydrophobicContact CG2-CD1 4.12Å; I412-F427 WeakPolarHBondContact O-CA 3.06Å; I412-F427 WeakPolarHBondContact O-CB 2.81Å; I412-F427 PolarHBondContact O-N 2.68Å; I412-R428 HydrophobicContact CB-CB 4.17Å; I412-R428 HydrophobicContact CG1-CB 4.37Å; I412-R428 PolarHBondContact N-O 3.27Å; I412-R428 PolarHBondContact O-N 2.98Å; I412-R428 VanDerWaalsContact O-O 3.12Å |
| 413 | M | 95 | Very high | 92.4 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 156 | 174.1 | -51.8 | 177.8 | 82.6 | 0 | 0 | 109.5 | F400 I401 F403 T411 L424 K425 | F400-M413 CarbonylContact C-O 3.56Å; F400-M413 WeakPolarHBondContact CA-O 3.36Å; I401-M413 HydrophobicContact CD1-CB 4.1Å; I401-M413 HydrophobicContact CD1-SD 4.27Å; I401-M413 HydrophobicContact CG1-CB 3.74Å; I401-M413 HydrophobicContact CG1-CG 4.48Å; I401-M413 PolarHBondContact N-O 3.13Å; I401-M413 PolarHBondContact O-N 3.12Å; F403-M413 HydrophobicContact CB-SD 4.17Å; F403-M413 HydrophobicContact CD1-SD 4.37Å; F403-M413 HydrophobicContact CG-SD 4.29Å; T411-M413 HydrophobicContact CG2-CG 3.87Å; T411-M413 PolarHBondContact O-N 3.27Å; M413-L424 HydrophobicContact CB-CB 4.4Å; M413-L424 HydrophobicContact CB-CD2 4.25Å; M413-L424 HydrophobicContact CE-CB 3.69Å; M413-L424 HydrophobicContact SD-CB 4.42Å; M413-K425 CarbonylContact C-O 3.54Å; M413-K425 WeakPolarHBondContact CA-O 3.2Å; M413-K425 WeakPolarHBondContact CB-O 3.3Å |
| 414 | Y | 95 | Very high | 92.4 | Very high | 48 Ų | 48 | 41.5 Ų | 41.5 | 19% | 0.188 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 156.5 | 176.1 | 84.3 | -70.6 | 0 | 0 | 0 | 111.3 | I399 F400 L424 K425 F427 | I399-Y414 CarbonylContact O-C 3.58Å; I399-Y414 WeakPolarHBondContact O-CA 3.45Å; I399-Y414 VanDerWaalsContact O-CB 3.31Å; I399-Y414 WeakPolarHBondContact O-CB 3.35Å; F400-Y414 HydrophobicContact CE1-CG 4.23Å; Y414-L424 WeakPolarHBondContact O-CA 3.4Å; Y414-K425 HydrophobicContact CD1-CB 4.15Å; Y414-K425 WeakPolarHBondContact CD1-O 3.09Å; Y414-K425 HydrophobicContact CE1-CB 3.76Å; Y414-K425 PolarHBondContact N-O 2.66Å; Y414-K425 PolarHBondContact O-N 2.78Å; Y414-F427 HydrophobicContact CD1-CB 3.77Å; Y414-F427 HydrophobicContact CD1-CD2 4.05Å; Y414-F427 HydrophobicContact CD1-CG 4.32Å; Y414-F427 HydrophobicContact CE1-CB 4.47Å; Y414-F427 HydrophobicContact CE1-CD2 4.23Å; Y414-F427 HydrophobicContact CG-CB 4.45Å |
| 415 | C | 95.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 133.5 | 170.3 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | I380 Q398 I399 L424 | I380-C415 HydrophobicContact CD1-CB 4.25Å; Q398-C415 WeakPolarHBondContact CA-O 3.48Å; I399-C415 HydrophobicContact CD1-CB 4.13Å; I399-C415 HydrophobicContact CG1-CB 3.83Å; I399-C415 PolarHBondContact N-O 2.81Å; I399-C415 PolarHBondContact O-N 3.09Å; C415-L424 HydrophobicContact CB-CD2 4.02Å |
| 416 | D | 94.3 | Very high | 92.3 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.6 | 177.4 | -176.7 | -3 | 0 | 0 | 0 | 110.2 | S397 Q398 N418 K419 | S397-D416 VanDerWaalsContact CB-OD1 3.29Å; S397-D416 WeakPolarHBondContact CB-OD1 3.33Å; S397-D416 PolarHBondContact OG-OD1 2.78Å; Q398-D416 HydrophobicContact CG-CB 4.12Å; D416-N418 PolarHBondContact O-N 2.72Å; D416-N418 PolarHBondContact OD1-N 2.93Å; D416-K419 HydrophobicContact CB-CD 4.23Å; D416-K419 HydrophobicContact CB-CG 4.27Å; D416-K419 PolarHBondContact O-N 2.85Å |
| 417 | L | 93.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -2.1 | -174.8 | -57 | 179.4 | 0 | 0 | 0 | 113.9 | I349 Y353 I368 I380 S397 I399 K419 W422 | I349-L417 HydrophobicContact CB-CD1 4.48Å; I349-L417 HydrophobicContact CG1-CD1 4.02Å; I349-L417 HydrophobicContact CG2-CD1 3.56Å; Y353-L417 HydrophobicContact CD2-CB 4.32Å; Y353-L417 HydrophobicContact CD2-CD1 3.85Å; Y353-L417 HydrophobicContact CE2-CB 4.33Å; I368-L417 HydrophobicContact CD1-CD1 4.42Å; I368-L417 HydrophobicContact CD1-CD2 4.44Å; I380-L417 HydrophobicContact CD1-CD2 4.11Å; S397-L417 WeakPolarHBondContact O-CB 3.2Å; S397-L417 WeakPolarHBondContact O-CG 3.45Å; S397-L417 PolarHBondContact O-N 2.87Å; I399-L417 HydrophobicContact CG2-CD1 4.44Å; L417-K419 VanDerWaalsContact C-N 3.33Å; L417-W422 HydrophobicContact CB-CZ2 4.44Å; L417-W422 HydrophobicContact CD2-CD2 3.65Å; L417-W422 HydrophobicContact CD2-CE3 4.03Å; L417-W422 HydrophobicContact CD2-CG 3.89Å; L417-W422 HydrophobicContact CD2-CZ2 4.27Å; L417-W422 HydrophobicContact CD2-CZ3 4.5Å; L417-W422 PolarHBondContact O-NE1 2.83Å |
| 418 | N | 92.9 | Very high | 92 | Very high | 107 Ų | 107 | 52.5 Ų | 52.5 | 57% | 0.572 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -11.4 | 169.9 | -75.8 | -13.7 | 0 | 0 | 0 | 113 | N350 S397 D416 | N350-N418 PolarHBondContact ND2-OD1 3.32Å; S397-N418 VanDerWaalsContact CB-ND2 3.28Å; S397-N418 WeakPolarHBondContact CB-ND2 3.12Å; S397-N418 WeakPolarHBondContact CB-OD1 3.35Å; S397-N418 PolarHBondContact OG-ND2 2.97Å; D416-N418 PolarHBondContact O-N 2.72Å; D416-N418 PolarHBondContact OD1-N 2.93Å |
| 419 | K | 91.8 | Very high | 91.9 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 39% | 0.391 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -82.5 | 150.2 | 176.4 | -61 | -175.8 | -178.7 | 175.8 | 0 | 110.7 | D416 L417 H421 W422 | D416-K419 HydrophobicContact CB-CD 4.23Å; D416-K419 HydrophobicContact CB-CG 4.27Å; D416-K419 PolarHBondContact O-N 2.85Å; L417-K419 VanDerWaalsContact C-N 3.33Å; K419-H421 PolarHBondContact O-N 2.86Å; K419-W422 PolarHBondContact O-NE1 3.45Å |
| 420 | D | 86.1 | Confident | 91.9 | Very high | 156 Ų | 156 | 53.3 Ų | 53.3 | 83% | 0.834 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -65.5 | -25.3 | 176.8 | -59.8 | -43.3 | 0 | 0 | 0 | 112.9 | ||
| 421 | H | 89.6 | Confident | 91.7 | Very high | 151 Ų | 151 | 55.7 Ų | 55.7 | 70% | 0.699 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -121.8 | 107.9 | -179.8 | -61.4 | -29.7 | 0 | 0 | 0 | 110.3 | K419 E423 | K419-H421 PolarHBondContact O-N 2.86Å; H421-E423 PolarHBondContact O-N 3.23Å |
| 422 | W | 93.8 | Very high | 91 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 17% | 0.167 | 27% | 0.272 | C | S | . | . | trans | -81.3 | 108.6 | 176.8 | -57.7 | -15.3 | 0 | 0 | 0 | 110.1 | Y353 I368 I377 K378 I380 L417 K419 | Y353-W422 HydrophobicContact CE1-CH2 4.47Å; Y353-W422 HydrophobicContact CE2-CH2 4.44Å; Y353-W422 HydrophobicContact CE2-CZ2 4.2Å; I368-W422 HydrophobicContact CB-CZ3 3.82Å; I368-W422 HydrophobicContact CG1-CE3 4.09Å; I368-W422 HydrophobicContact CG1-CZ3 3.83Å; I368-W422 HydrophobicContact CG2-CH2 4.04Å; I368-W422 HydrophobicContact CG2-CZ3 3.83Å; I377-W422 HydrophobicContact CG2-CH2 4.05Å; I377-W422 HydrophobicContact CG2-CZ3 4.15Å; K378-W422 HydrophobicContact CB-CE3 4.48Å; K378-W422 HydrophobicContact CB-CZ3 4.21Å; I380-W422 HydrophobicContact CG1-CB 4.32Å; I380-W422 HydrophobicContact CG1-CE3 4.48Å; L417-W422 HydrophobicContact CB-CZ2 4.44Å; L417-W422 HydrophobicContact CD2-CD2 3.65Å; L417-W422 HydrophobicContact CD2-CE3 4.03Å; L417-W422 HydrophobicContact CD2-CG 3.89Å; L417-W422 HydrophobicContact CD2-CZ2 4.27Å; L417-W422 HydrophobicContact CD2-CZ3 4.5Å; L417-W422 PolarHBondContact O-NE1 2.83Å; K419-W422 PolarHBondContact O-NE1 3.45Å | ||
| 423 | E | 94 | Very high | 90.1 | Very high | 107 Ų | 107 | 59.1 Ų | 59.1 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | trans | -134.9 | 140 | 175.4 | 65.2 | -178.8 | 174.9 | 0 | 0 | 109.6 | H421 K425 | H421-E423 PolarHBondContact O-N 3.23Å; E423-K425 HydrophobicContact CG-CG 4.26Å; E423-K425 PolarHBondContact O-N 3.04Å; E423-K425 WeakPolarHBondContact OE1-CE 3.4Å; E423-K425 IonicContact OE1-NZ 3.56Å; E423-K425 PolarHBondContact OE1-NZ 3.26Å | ||
| 424 | L | 94.1 | Very high | 89 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | trans | -73.2 | 126.7 | 172.9 | -73.4 | 167.3 | 0 | 0 | 0 | 109.5 | I366 I380 T382 I401 M413 Y414 C415 | I366-L424 HydrophobicContact CD1-CD1 4.15Å; I366-L424 HydrophobicContact CD1-CD2 4.24Å; I380-L424 HydrophobicContact CG2-CD1 4.3Å; I380-L424 HydrophobicContact CG2-CG 3.85Å; T382-L424 HydrophobicContact CG2-CD1 3.79Å; I401-L424 HydrophobicContact CD1-CD1 3.62Å; I401-L424 HydrophobicContact CD1-CD2 3.79Å; I401-L424 HydrophobicContact CD1-CG 4.35Å; I401-L424 HydrophobicContact CG1-CD2 4.16Å; M413-L424 HydrophobicContact CB-CB 4.4Å; M413-L424 HydrophobicContact CB-CD2 4.25Å; M413-L424 HydrophobicContact CE-CB 3.69Å; M413-L424 HydrophobicContact SD-CB 4.42Å; Y414-L424 WeakPolarHBondContact O-CA 3.4Å; C415-L424 HydrophobicContact CB-CD2 4.02Å | ||
| 425 | K | 93.9 | Very high | 88.3 | Confident | 80 Ų | 80 | 65.5 Ų | 65.5 | 35% | 0.348 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 145.5 | 173.7 | -59.5 | -170.7 | -173 | -148.3 | 0 | 109.7 | M413 Y414 E423 F427 | M413-K425 CarbonylContact C-O 3.54Å; M413-K425 WeakPolarHBondContact CA-O 3.2Å; M413-K425 WeakPolarHBondContact CB-O 3.3Å; Y414-K425 HydrophobicContact CD1-CB 4.15Å; Y414-K425 WeakPolarHBondContact CD1-O 3.09Å; Y414-K425 HydrophobicContact CE1-CB 3.76Å; Y414-K425 PolarHBondContact N-O 2.66Å; Y414-K425 PolarHBondContact O-N 2.78Å; E423-K425 HydrophobicContact CG-CG 4.26Å; E423-K425 PolarHBondContact O-N 3.04Å; E423-K425 WeakPolarHBondContact OE1-CE 3.4Å; E423-K425 IonicContact OE1-NZ 3.56Å; E423-K425 PolarHBondContact OE1-NZ 3.26Å; K425-F427 PolarHBondContact O-N 3.25Å |
| 426 | V | 92.1 | Very high | 87.6 | Confident | 84 Ų | 84 | 69 Ų | 69 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 122.6 | 170.8 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | T411 K429 | T411-V426 HydrophobicContact CG2-CB 4.41Å; T411-V426 HydrophobicContact CG2-CG1 3.86Å; T411-V426 HydrophobicContact CG2-CG2 3.97Å; V426-K429 HydrophobicContact CG1-CB 4.05Å |
| 427 | F | 90.9 | Very high | 87 | Confident | 51 Ų | 51 | 69.6 Ų | 69.6 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -48.4 | 171.1 | -173.5 | -115.2 | 0 | 0 | 0 | 110.2 | S82 Y89 F400 I412 Y414 K425 | S82-F427 WeakPolarHBondContact OG-CE1 3.14Å; Y89-F427 AromaticContact CD2-CZ 3.98Å; Y89-F427 HydrophobicContact CD2-CZ 3.98Å; Y89-F427 HydrophobicContact CE2-CE2 4.44Å; Y89-F427 HydrophobicContact CE2-CZ 4.28Å; Y89-F427 HydrophobicContact CG-CZ 4.13Å; F400-F427 HydrophobicContact CD1-CD1 4.29Å; F400-F427 HydrophobicContact CD1-CG 4.46Å; F400-F427 AromaticContact CE1-CD1 3.85Å; F400-F427 HydrophobicContact CE1-CD1 3.85Å; F400-F427 HydrophobicContact CE1-CD2 4.14Å; F400-F427 HydrophobicContact CE1-CE1 4.02Å; F400-F427 HydrophobicContact CE1-CE2 4.3Å; F400-F427 AromaticContact CE1-CG 3.91Å; F400-F427 HydrophobicContact CE1-CG 3.91Å; F400-F427 HydrophobicContact CE1-CZ 4.25Å; I412-F427 HydrophobicContact CG2-CB 4.22Å; I412-F427 HydrophobicContact CG2-CD1 4.12Å; I412-F427 WeakPolarHBondContact O-CA 3.06Å; I412-F427 WeakPolarHBondContact O-CB 2.81Å; I412-F427 PolarHBondContact O-N 2.68Å; Y414-F427 HydrophobicContact CD1-CB 3.77Å; Y414-F427 HydrophobicContact CD1-CD2 4.05Å; Y414-F427 HydrophobicContact CD1-CG 4.32Å; Y414-F427 HydrophobicContact CE1-CB 4.47Å; Y414-F427 HydrophobicContact CE1-CD2 4.23Å; Y414-F427 HydrophobicContact CG-CB 4.45Å; K425-F427 PolarHBondContact O-N 3.25Å |
| 428 | R | 89.7 | Confident | 86.6 | Confident | 32 Ų | 32 | 77 Ų | 77 | 12% | 0.121 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 147.8 | 173.1 | -62.8 | 176.7 | -157.8 | -99.8 | -4.1 | 109.8 | Y79 Y91 I412 | Y79-R428 HydrophobicContact CD2-CB 4.32Å; Y91-R428 PolarHBondContact OH-NH1 3.04Å; Y91-R428 PolarHBondContact OH-NH2 2.92Å; I412-R428 HydrophobicContact CB-CB 4.17Å; I412-R428 HydrophobicContact CG1-CB 4.37Å; I412-R428 PolarHBondContact N-O 3.27Å; I412-R428 PolarHBondContact O-N 2.98Å; I412-R428 VanDerWaalsContact O-O 3.12Å |
| 429 | K | 87.9 | Confident | 86.5 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 26% | 0.261 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.1 | -179.4 | -166.1 | 178.3 | 179.1 | -160.3 | 0 | 109.7 | T411 V426 Q431 D437 | T411-K429 HydrophobicContact CG2-CG 4.38Å; V426-K429 HydrophobicContact CG1-CB 4.05Å; K429-Q431 VanDerWaalsContact NZ-OE1 3.17Å; K429-Q431 PolarHBondContact O-N 3.47Å; K429-D437 WeakPolarHBondContact CE-OD2 3.28Å; K429-D437 IonicContact NZ-OD1 3.44Å; K429-D437 IonicContact NZ-OD2 3.95Å; K429-D437 PolarHBondContact NZ-OD2 2.71Å |
| 430 | S | 87 | Confident | 86.7 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | trans | -73.4 | 116.2 | 162.4 | -69.6 | 0 | 0 | 0 | 0 | 108.5 | D77 P409 C410 | D77-S430 WeakPolarHBondContact O-CB 3.3Å; D77-S430 PolarHBondContact O-OG 2.96Å; P409-S430 WeakPolarHBondContact CD-O 3.49Å; P409-S430 WeakPolarHBondContact CG-O 3.47Å; C410-S430 VanDerWaalsContact O-CB 3.23Å; C410-S430 WeakPolarHBondContact O-CB 3.42Å; C410-S430 PolarHBondContact O-N 3.41Å; C410-S430 PolarHBondContact O-OG 2.94Å; C410-S430 VanDerWaalsContact O-OG 3.05Å | ||
| 431 | Q | 81.8 | Confident | 87.1 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | trans | -131.9 | 112.9 | -175.8 | -174.3 | 151.7 | -0.9 | 0 | 0 | 110.9 | K429 M433 L435 | K429-Q431 VanDerWaalsContact NZ-OE1 3.17Å; K429-Q431 PolarHBondContact O-N 3.47Å; Q431-M433 WeakPolarHBondContact CG-O 3.26Å; Q431-M433 PolarHBondContact NE2-O 2.79Å; Q431-L435 PolarHBondContact NE2-O 3.44Å | ||
| 432 | P | 77.1 | Confident | 87.4 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -70.4 | -37.8 | -177.5 | -6.9 | 15 | 0 | 0 | 0 | 114.7 | L72 L73 N75 F76 P409 Y489 | L72-P432 CarbonylContact O-C 3.55Å; L72-P432 WeakPolarHBondContact O-CB 3.08Å; L73-P432 VanDerWaalsContact O-CB 3.26Å; L73-P432 WeakPolarHBondContact O-CB 3.49Å; L73-P432 WeakPolarHBondContact O-CG 3.14Å; N75-P432 WeakPolarHBondContact O-CA 3.28Å; F76-P432 HydrophobicContact CB-CB 4.18Å; F76-P432 HydrophobicContact CB-CG 4.27Å; F76-P432 HydrophobicContact CD1-CB 3.77Å; F76-P432 HydrophobicContact CD1-CG 3.6Å; F76-P432 HydrophobicContact CE1-CG 4.27Å; F76-P432 HydrophobicContact CG-CB 4.41Å; F76-P432 HydrophobicContact CG-CG 4.19Å; P409-P432 HydrophobicContact CG-CG 4.39Å; P432-Y489 VanDerWaalsContact CG-OH 3.32Å; P432-Y489 WeakPolarHBondContact CG-OH 3.31Å |
| 433 | M | 77.2 | Confident | 87.6 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -155.5 | 166.2 | -176 | -173.4 | 178.8 | 62.1 | 0 | 0 | 107 | Y69 L72 L73 Q431 L435 | Y69-M433 HydrophobicContact CE2-CE 3.52Å; Y69-M433 HydrophobicContact CE2-SD 4.1Å; Y69-M433 WeakPolarHBondContact OH-CE 3.45Å; L72-M433 HydrophobicContact CB-SD 4.28Å; L72-M433 HydrophobicContact CD1-SD 4.09Å; L73-M433 HydrophobicContact CD2-CE 4.45Å; Q431-M433 WeakPolarHBondContact CG-O 3.26Å; Q431-M433 PolarHBondContact NE2-O 2.79Å; M433-L435 HydrophobicContact CE-CD2 3.62Å; M433-L435 HydrophobicContact CE-CG 4.18Å; M433-L435 PolarHBondContact O-N 3.2Å |
| 434 | E | 71.7 | Confident | 87.7 | Confident | 185 Ų | 185 | 58.8 Ų | 58.8 | 86% | 0.864 | 28% | 0.28 | S | S | * | . | trans | -67.9 | 60.8 | 173.1 | -63.3 | -173.6 | 173.9 | 0 | 0 | 112.5 | ||||
| 435 | L | 78.8 | Confident | 88 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | trans | -72.5 | 131.4 | 163.5 | -64.6 | 178.3 | 0 | 0 | 0 | 108.8 | L73 Q431 M433 D437 Y440 L494 | L73-L435 HydrophobicContact CD2-CD1 3.84Å; Q431-L435 PolarHBondContact NE2-O 3.44Å; M433-L435 HydrophobicContact CE-CD2 3.62Å; M433-L435 HydrophobicContact CE-CG 4.18Å; M433-L435 PolarHBondContact O-N 3.2Å; L435-D437 PolarHBondContact O-N 2.91Å; L435-Y440 HydrophobicContact CB-CE2 4.49Å; L435-L494 HydrophobicContact CD1-CD1 3.83Å; L435-L494 HydrophobicContact CD1-CD2 4.24Å | ||
| 436 | N | 82 | Confident | 88.2 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 40% | 0.401 | 28% | 0.28 | S | S | . | . | trans | -88 | 100.8 | 172.2 | -179.9 | 8.4 | 0 | 0 | 0 | 109 | K438 E439 | N436-K438 PolarHBondContact O-N 3.3Å; N436-K438 WeakPolarHBondContact OD1-CB 3.24Å; N436-K438 PolarHBondContact OD1-N 3.04Å; N436-E439 HydrophobicContact CB-CG 3.93Å; N436-E439 PolarHBondContact ND2-OE1 2.93Å; N436-E439 VanDerWaalsContact O-CB 3.32Å; N436-E439 WeakPolarHBondContact O-CB 3.35Å; N436-E439 PolarHBondContact O-N 3.04Å | ||
| 437 | D | 80.6 | Confident | 88.5 | Confident | 41 Ų | 41 | 55 Ų | 55 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -54.6 | -27.4 | -178.7 | -53.3 | -39.7 | 0 | 0 | 0 | 112.7 | N407 K429 L435 E439 Y440 | N407-D437 PolarHBondContact ND2-OD1 2.87Å; K429-D437 WeakPolarHBondContact CE-OD2 3.28Å; K429-D437 IonicContact NZ-OD1 3.44Å; K429-D437 IonicContact NZ-OD2 3.95Å; K429-D437 PolarHBondContact NZ-OD2 2.71Å; L435-D437 PolarHBondContact O-N 2.91Å; D437-E439 PolarHBondContact O-N 3.42Å; D437-E439 VanDerWaalsContact O-N 3.15Å; D437-Y440 PolarHBondContact O-N 3.24Å; D437-Y440 VanDerWaalsContact O-N 3.15Å |
| 438 | K | 85.6 | Confident | 88.9 | Confident | 162 Ų | 162 | 56.9 Ų | 56.9 | 70% | 0.704 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -66.3 | -13.9 | 178.4 | -60.6 | -179 | 178.5 | 176.1 | 0 | 112.8 | N436 Y440 K463 | N436-K438 PolarHBondContact O-N 3.3Å; N436-K438 WeakPolarHBondContact OD1-CB 3.24Å; N436-K438 PolarHBondContact OD1-N 3.04Å; K438-Y440 VanDerWaalsContact C-N 3.35Å; K438-K463 WeakPolarHBondContact O-CD 3.23Å; K438-K463 WeakPolarHBondContact O-CE 3.33Å; K438-K463 PolarHBondContact O-NZ 2.97Å |
| 439 | E | 92 | Very high | 89.3 | Confident | 78 Ų | 78 | 55.7 Ų | 55.7 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -82 | -11.8 | 176.5 | -67.2 | -177.3 | -164.9 | 0 | 0 | 113.4 | N436 D437 R462 K463 | N436-E439 HydrophobicContact CB-CG 3.93Å; N436-E439 PolarHBondContact ND2-OE1 2.93Å; N436-E439 VanDerWaalsContact O-CB 3.32Å; N436-E439 WeakPolarHBondContact O-CB 3.35Å; N436-E439 PolarHBondContact O-N 3.04Å; D437-E439 PolarHBondContact O-N 3.42Å; D437-E439 VanDerWaalsContact O-N 3.15Å; E439-R462 CarbonylContact O-C 3.54Å; E439-R462 WeakPolarHBondContact O-CA 3.49Å; E439-R462 IonicContact OE2-NH1 3.94Å; E439-K463 PolarHBondContact O-N 3.48Å |
| 440 | Y | 94.5 | Very high | 89.7 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 153.4 | -177.2 | -53 | -79.4 | 0 | 0 | 0 | 113.1 | N407 L435 D437 K438 F460 R462 K463 L494 I497 E498 | N407-Y440 HydrophobicContact CB-CD2 4.1Å; N407-Y440 HydrophobicContact CB-CG 4.36Å; L435-Y440 HydrophobicContact CB-CE2 4.49Å; D437-Y440 PolarHBondContact O-N 3.24Å; D437-Y440 VanDerWaalsContact O-N 3.15Å; K438-Y440 VanDerWaalsContact C-N 3.35Å; Y440-F460 HydrophobicContact CD1-CE2 4.04Å; Y440-F460 HydrophobicContact CD1-CZ 4.1Å; Y440-F460 HydrophobicContact CG-CE2 4.03Å; Y440-F460 HydrophobicContact CG-CZ 4.33Å; Y440-R462 HydrophobicContact CD1-CG 4.17Å; Y440-R462 HydrophobicContact CE1-CG 4.03Å; Y440-K463 WeakPolarHBondContact O-CE 3.34Å; Y440-L494 HydrophobicContact CE1-CD2 4.25Å; Y440-I497 HydrophobicContact CD1-CG2 4.24Å; Y440-I497 HydrophobicContact CE1-CG2 4.02Å; Y440-E498 VanDerWaalsContact CE1-OE1 3.32Å; Y440-E498 WeakPolarHBondContact CE1-OE1 3.36Å; Y440-E498 PolarHBondContact OH-OE1 3.43Å |
| 441 | E | 95.5 | Very high | 90.2 | Very high | 63 Ų | 63 | 64.1 Ų | 64.1 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 132.5 | 176.1 | -165.1 | 174 | -157.9 | 0 | 0 | 109.8 | K443 F460 H461 K463 | E441-K443 VanDerWaalsContact CD-NZ 3.32Å; E441-K443 HydrophobicContact CG-CG 4.25Å; E441-K443 WeakPolarHBondContact OE1-CE 3.43Å; E441-K443 IonicContact OE1-NZ 3.44Å; E441-K443 PolarHBondContact OE1-NZ 3.48Å; E441-K443 WeakPolarHBondContact OE2-CE 3.42Å; E441-K443 IonicContact OE2-NZ 3.36Å; E441-K443 PolarHBondContact OE2-NZ 3.34Å; E441-F460 WeakPolarHBondContact O-CA 3.29Å; E441-H461 PolarHBondContact N-O 3.14Å; E441-H461 PolarHBondContact O-N 3.05Å; E441-H461 VanDerWaalsContact O-N 3.1Å; E441-H461 IonicContact OE2-CE1 3.8Å; E441-H461 PolarHBondContact OE2-CE1 3.31Å; E441-K463 HydrophobicContact CB-CG 3.86Å |
| 442 | I | 96.3 | Very high | 90.9 | Very high | 29 Ų | 29 | 64.8 Ų | 64.8 | 15% | 0.149 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123.1 | 169.9 | -57 | 169.7 | 0 | 0 | 0 | 106.7 | I384 T405 F406 F458 I459 F460 | I384-I442 HydrophobicContact CB-CG2 4.28Å; I384-I442 HydrophobicContact CG2-CG2 3.68Å; T405-I442 HydrophobicContact CG2-CD1 3.92Å; T405-I442 WeakPolarHBondContact OG1-CD1 3.38Å; F406-I442 HydrophobicContact CB-CD1 4.34Å; F406-I442 HydrophobicContact CD2-CD1 3.96Å; F406-I442 HydrophobicContact CD2-CG1 4.24Å; F406-I442 HydrophobicContact CD2-CG2 4.27Å; F406-I442 HydrophobicContact CE2-CG2 4.35Å; I442-F458 HydrophobicContact CG2-CD1 4.47Å; I442-I459 CarbonylContact C-O 3.05Å; I442-I459 WeakPolarHBondContact CA-O 3.41Å; I442-F460 HydrophobicContact CD1-CD2 4.16Å; I442-F460 HydrophobicContact CD1-CE2 4.46Å; I442-F460 HydrophobicContact CG1-CB 4.32Å; I442-F460 HydrophobicContact CG1-CD2 3.45Å; I442-F460 VanDerWaalsContact CG1-CD2 3.45Å; I442-F460 HydrophobicContact CG1-CE2 4.09Å; I442-F460 HydrophobicContact CG1-CG 4.18Å |
| 443 | K | 96.5 | Very high | 91.9 | Very high | 68 Ų | 68 | 64.9 Ų | 64.9 | 30% | 0.296 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 146.2 | 171.8 | -64.8 | -179 | -175.6 | 163.7 | 0 | 108.4 | E441 F458 I459 | E441-K443 VanDerWaalsContact CD-NZ 3.32Å; E441-K443 HydrophobicContact CG-CG 4.25Å; E441-K443 WeakPolarHBondContact OE1-CE 3.43Å; E441-K443 IonicContact OE1-NZ 3.44Å; E441-K443 PolarHBondContact OE1-NZ 3.48Å; E441-K443 WeakPolarHBondContact OE2-CE 3.42Å; E441-K443 IonicContact OE2-NZ 3.36Å; E441-K443 PolarHBondContact OE2-NZ 3.34Å; K443-F458 CarbonylContact O-C 3.27Å; K443-F458 VanDerWaalsContact O-CA 3.32Å; K443-F458 WeakPolarHBondContact O-CA 3.49Å; K443-I459 PolarHBondContact N-O 3.17Å; K443-I459 PolarHBondContact O-N 3.09Å |
| 444 | Q | 97.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 65.4 Ų | 65.4 | 11% | 0.107 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 135.4 | 154.7 | 158 | -174.7 | 75.5 | 0 | 0 | 108.6 | N361 R363 F446 M457 F458 | N361-Q444 PolarHBondContact O-NE2 2.83Å; R363-Q444 VanDerWaalsContact NH2-CB 3.32Å; Q444-F446 HydrophobicContact CG-CE2 3.96Å; Q444-F446 HydrophobicContact CG-CZ 4Å; Q444-M457 WeakPolarHBondContact CA-O 3.4Å; Q444-F458 HydrophobicContact CB-CD1 3.7Å; Q444-F458 HydrophobicContact CB-CE1 3.73Å; Q444-F458 HydrophobicContact CG-CE1 4.39Å |
| 445 | V | 98.4 | Very high | 94.2 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 11% | 0.109 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 165.9 | 175.2 | -60.5 | 0 | 0 | 0 | 0 | 108.8 | M457 I459 Y541 | V445-M457 HydrophobicContact CG2-CB 4.05Å; V445-M457 HydrophobicContact CG2-CE 3.87Å; V445-M457 HydrophobicContact CG2-CG 4.48Å; V445-M457 WeakPolarHBondContact CG2-O 3.21Å; V445-M457 PolarHBondContact N-O 3.45Å; V445-M457 PolarHBondContact O-N 3.45Å; V445-I459 HydrophobicContact CG1-CD1 4.12Å; V445-I459 HydrophobicContact CG2-CD1 3.73Å; V445-I459 HydrophobicContact CG2-CG1 4.11Å; V445-Y541 HydrophobicContact CB-CE1 4.19Å; V445-Y541 HydrophobicContact CG2-CE1 3.72Å |
| 446 | F | 98.5 | Very high | 95.1 | Very high | 83 Ų | 83 | 55.9 Ų | 55.9 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 137.5 | 175.4 | -61 | -92.5 | 0 | 0 | 0 | 108.8 | N361 Q444 T454 I455 P456 | N361-F446 HydrophobicContact CB-CZ 4.21Å; Q444-F446 HydrophobicContact CG-CE2 3.96Å; Q444-F446 HydrophobicContact CG-CZ 4Å; F446-T454 HydrophobicContact CB-CG2 3.73Å; F446-T454 HydrophobicContact CD1-CG2 4.01Å; F446-T454 HydrophobicContact CG-CG2 4.24Å; F446-I455 WeakPolarHBondContact CA-O 3.49Å; F446-P456 HydrophobicContact CD1-CB 4Å; F446-P456 HydrophobicContact CE1-CB 3.8Å; F446-P456 HydrophobicContact CE1-CG 4.42Å |
| 447 | Y | 98.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 161.9 | 177.2 | 67.4 | -85.8 | 0 | 0 | 0 | 110.1 | T454 I455 M457 D534 M537 A538 Y541 | Y447-T454 CarbonylContact O-C 3.58Å; Y447-T454 WeakPolarHBondContact O-CA 3.39Å; Y447-I455 HydrophobicContact CD1-CB 4.23Å; Y447-I455 WeakPolarHBondContact CD1-O 3.25Å; Y447-I455 HydrophobicContact CD2-CB 4.34Å; Y447-I455 HydrophobicContact CD2-CG1 4.47Å; Y447-I455 HydrophobicContact CE1-CB 3.67Å; Y447-I455 HydrophobicContact CE1-CG2 3.83Å; Y447-I455 HydrophobicContact CE2-CB 3.8Å; Y447-I455 HydrophobicContact CE2-CG1 3.86Å; Y447-I455 HydrophobicContact CE2-CG2 4.35Å; Y447-I455 VanDerWaalsContact CZ-CB 3.43Å; Y447-I455 PolarHBondContact N-O 3.13Å; Y447-I455 PolarHBondContact O-N 3.31Å; Y447-I455 WeakPolarHBondContact OH-CG2 3.49Å; Y447-M457 HydrophobicContact CD1-CB 4.26Å; Y447-M457 HydrophobicContact CD1-CE 4.27Å; Y447-M457 HydrophobicContact CE1-CB 4Å; Y447-D534 VanDerWaalsContact CE2-O 3.28Å; Y447-D534 WeakPolarHBondContact CE2-O 3.44Å; Y447-D534 PolarHBondContact OH-O 3.35Å; Y447-M537 HydrophobicContact CD2-CB 3.92Å; Y447-M537 HydrophobicContact CE2-CB 3.77Å; Y447-A538 HydrophobicContact CE1-CB 3.89Å; Y447-A538 HydrophobicContact CE2-CB 4.1Å; Y447-A538 VanDerWaalsContact CE2-N 3.34Å; Y447-Y541 VanDerWaalsContact CB-CD2 3.41Å; Y447-Y541 HydrophobicContact CG-CG 4.43Å |
| 448 | Q | 98.5 | Very high | 96.8 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.5 | 176.9 | -61.1 | -57.7 | -22.5 | 0 | 0 | 109.8 | S452 T453 T454 | Q448-S452 VanDerWaalsContact OE1-C 3.26Å; Q448-S452 PolarHBondContact OE1-O 2.87Å; Q448-T453 VanDerWaalsContact OE1-C 3.3Å; Q448-T453 PolarHBondContact OE1-O 2.9Å; Q448-T454 PolarHBondContact NE2-OG1 3.19Å; Q448-T454 PolarHBondContact OE1-OG1 2.84Å; Q448-T454 VanDerWaalsContact OE1-OG1 3.1Å |
| 449 | S | 98.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | trans | -74.6 | 175.5 | 166.8 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | D451 S452 T453 R510 D534 | S449-D451 PolarHBondContact O-N 3Å; S449-S452 WeakPolarHBondContact O-CA 3.23Å; S449-S452 PolarHBondContact O-N 3.42Å; S449-T453 PolarHBondContact N-O 3.3Å; S449-R510 PolarHBondContact OG-NH2 2.78Å; S449-D534 WeakPolarHBondContact CB-OD1 3.41Å; S449-D534 PolarHBondContact OG-OD1 2.97Å | ||
| 450 | K | 96.6 | Very high | 97.7 | Very high | 156 Ų | 156 | 39 Ų | 39 | 68% | 0.678 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.9 | -179 | -170.9 | 178.3 | 178.7 | -177.7 | 0 | 113.3 | S452 D533 | K450-S452 VanDerWaalsContact C-N 3.33Å; K450-D533 HydrophobicContact CB-CB 4.48Å; K450-D533 WeakPolarHBondContact CD-OD2 3.35Å; K450-D533 IonicContact NZ-OD2 3.49Å |
| 451 | D | 97.6 | Very high | 97.9 | Very high | 82 Ų | 82 | 38.5 Ų | 38.5 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 15.1 | 176.3 | 74.8 | -18.9 | 0 | 0 | 0 | 113.7 | S449 T453 R510 R522 | S449-D451 PolarHBondContact O-N 3Å; D451-T453 VanDerWaalsContact CG-OG1 3.24Å; D451-T453 PolarHBondContact O-N 3.08Å; D451-T453 VanDerWaalsContact OD1-CB 3.24Å; D451-T453 WeakPolarHBondContact OD1-CB 3.44Å; D451-T453 PolarHBondContact OD1-N 2.75Å; D451-T453 VanDerWaalsContact OD1-N 3.1Å; D451-T453 PolarHBondContact OD1-OG1 3.32Å; D451-T453 PolarHBondContact OD2-OG1 3.46Å; D451-T453 VanDerWaalsContact OD2-OG1 3.12Å; D451-R510 IonicContact OD1-CZ 3.61Å; D451-R510 IonicContact OD1-NH1 2.76Å; D451-R510 PolarHBondContact OD1-NH1 3.06Å; D451-R510 IonicContact OD1-NH2 3.5Å; D451-R510 PolarHBondContact OD1-NH2 3.15Å; D451-R510 IonicContact OD2-CZ 3.84Å; D451-R510 IonicContact OD2-NH1 3.93Å; D451-R510 PolarHBondContact OD2-NH1 3.47Å; D451-R510 IonicContact OD2-NH2 2.96Å; D451-R510 PolarHBondContact OD2-NH2 2.69Å; D451-R522 IonicContact OD2-NH2 2.65Å; D451-R522 PolarHBondContact OD2-NH2 2.92Å |
| 452 | S | 97.5 | Very high | 97.9 | Very high | 94 Ų | 94 | 39 Ų | 39 | 66% | 0.657 | 20% | 0.196 | S | C | * | . | S | Bend | trans | 64.7 | 16.7 | -176.6 | -49 | 0 | 0 | 0 | 0 | 115.1 | Q448 S449 K450 | Q448-S452 VanDerWaalsContact OE1-C 3.26Å; Q448-S452 PolarHBondContact OE1-O 2.87Å; S449-S452 WeakPolarHBondContact O-CA 3.23Å; S449-S452 PolarHBondContact O-N 3.42Å; K450-S452 VanDerWaalsContact C-N 3.33Å |
| 453 | T | 98.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 42 Ų | 42 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | trans | -71.2 | 131.5 | 167.8 | -55.9 | 0 | 0 | 0 | 0 | 109.5 | Q448 S449 D451 I455 R510 W519 R522 | Q448-T453 VanDerWaalsContact OE1-C 3.3Å; Q448-T453 PolarHBondContact OE1-O 2.9Å; S449-T453 PolarHBondContact N-O 3.3Å; D451-T453 VanDerWaalsContact CG-OG1 3.24Å; D451-T453 PolarHBondContact O-N 3.08Å; D451-T453 VanDerWaalsContact OD1-CB 3.24Å; D451-T453 WeakPolarHBondContact OD1-CB 3.44Å; D451-T453 PolarHBondContact OD1-N 2.75Å; D451-T453 VanDerWaalsContact OD1-N 3.1Å; D451-T453 PolarHBondContact OD1-OG1 3.32Å; D451-T453 PolarHBondContact OD2-OG1 3.46Å; D451-T453 VanDerWaalsContact OD2-OG1 3.12Å; T453-I455 HydrophobicContact CG2-CD1 3.8Å; T453-R510 PolarHBondContact OG1-NH1 2.68Å; T453-W519 HydrophobicContact CG2-CH2 4.03Å; T453-W519 HydrophobicContact CG2-CZ3 3.62Å; T453-R522 PolarHBondContact OG1-NH2 3.32Å | ||
| 454 | T | 98 | Very high | 97.7 | Very high | 65 Ų | 65 | 46.1 Ų | 46.1 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 121.2 | 176.4 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | F446 Y447 Q448 | F446-T454 HydrophobicContact CB-CG2 3.73Å; F446-T454 HydrophobicContact CD1-CG2 4.01Å; F446-T454 HydrophobicContact CG-CG2 4.24Å; Y447-T454 CarbonylContact O-C 3.58Å; Y447-T454 WeakPolarHBondContact O-CA 3.39Å; Q448-T454 PolarHBondContact NE2-OG1 3.19Å; Q448-T454 PolarHBondContact OE1-OG1 2.84Å; Q448-T454 VanDerWaalsContact OE1-OG1 3.1Å |
| 455 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.1 | -176.3 | -42.9 | -59 | 0 | 0 | 0 | 110 | F446 Y447 T453 N508 I509 W519 D534 | F446-I455 WeakPolarHBondContact CA-O 3.49Å; Y447-I455 HydrophobicContact CD1-CB 4.23Å; Y447-I455 WeakPolarHBondContact CD1-O 3.25Å; Y447-I455 HydrophobicContact CD2-CB 4.34Å; Y447-I455 HydrophobicContact CD2-CG1 4.47Å; Y447-I455 HydrophobicContact CE1-CB 3.67Å; Y447-I455 HydrophobicContact CE1-CG2 3.83Å; Y447-I455 HydrophobicContact CE2-CB 3.8Å; Y447-I455 HydrophobicContact CE2-CG1 3.86Å; Y447-I455 HydrophobicContact CE2-CG2 4.35Å; Y447-I455 VanDerWaalsContact CZ-CB 3.43Å; Y447-I455 PolarHBondContact N-O 3.13Å; Y447-I455 PolarHBondContact O-N 3.31Å; Y447-I455 WeakPolarHBondContact OH-CG2 3.49Å; T453-I455 HydrophobicContact CG2-CD1 3.8Å; I455-N508 VanDerWaalsContact CG2-O 3.3Å; I455-N508 WeakPolarHBondContact CG2-O 3.34Å; I455-I509 HydrophobicContact CG2-CG2 4.41Å; I455-W519 HydrophobicContact CD1-CH2 3.45Å; I455-W519 VanDerWaalsContact CD1-CH2 3.45Å; I455-W519 HydrophobicContact CD1-CZ2 4.02Å; I455-W519 HydrophobicContact CD1-CZ3 4.37Å; I455-W519 HydrophobicContact CG2-CZ2 4.42Å; I455-D534 HydrophobicContact CG1-CB 4.43Å |
| 456 | P | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 151.7 | 172.7 | 15.1 | -9.4 | 0 | 0 | 0 | 112.4 | V362 F446 N508 F515 | V362-P456 HydrophobicContact CG2-CB 4.17Å; V362-P456 HydrophobicContact CG2-CG 3.71Å; F446-P456 HydrophobicContact CD1-CB 4Å; F446-P456 HydrophobicContact CE1-CB 3.8Å; F446-P456 HydrophobicContact CE1-CG 4.42Å; P456-N508 HydrophobicContact CB-CB 4.14Å; P456-N508 HydrophobicContact CG-CB 3.71Å; P456-N508 WeakPolarHBondContact O-CB 3.45Å; P456-N508 PolarHBondContact O-N 3.48Å; P456-F515 HydrophobicContact CG-CE2 3.75Å; P456-F515 HydrophobicContact CG-CZ 3.77Å |
| 457 | M | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 134.9 | 169.5 | 174.8 | 167.5 | 62.1 | 0 | 0 | 110.2 | Q444 V445 Y447 I459 L475 A505 L506 A507 A538 Y541 L542 | Q444-M457 WeakPolarHBondContact CA-O 3.4Å; V445-M457 HydrophobicContact CG2-CB 4.05Å; V445-M457 HydrophobicContact CG2-CE 3.87Å; V445-M457 HydrophobicContact CG2-CG 4.48Å; V445-M457 WeakPolarHBondContact CG2-O 3.21Å; V445-M457 PolarHBondContact N-O 3.45Å; V445-M457 PolarHBondContact O-N 3.45Å; Y447-M457 HydrophobicContact CD1-CB 4.26Å; Y447-M457 HydrophobicContact CD1-CE 4.27Å; Y447-M457 HydrophobicContact CE1-CB 4Å; M457-I459 HydrophobicContact CE-CD1 4.26Å; M457-I459 HydrophobicContact CE-CG1 4.43Å; M457-I459 HydrophobicContact CG-CG1 4.36Å; M457-L475 HydrophobicContact SD-CD1 4.01Å; M457-A505 HydrophobicContact CG-CB 4.35Å; M457-A505 HydrophobicContact SD-CB 3.9Å; M457-L506 CarbonylContact C-O 3.58Å; M457-L506 WeakPolarHBondContact CA-O 3.4Å; M457-L506 WeakPolarHBondContact CG-O 3.26Å; M457-A507 HydrophobicContact CG-CB 4.34Å; M457-A507 HydrophobicContact SD-CB 4.2Å; M457-A538 HydrophobicContact SD-CB 4.02Å; M457-Y541 HydrophobicContact CE-CD1 3.59Å; M457-Y541 HydrophobicContact CE-CE1 4.1Å; M457-Y541 HydrophobicContact CE-CG 4.44Å; M457-L542 HydrophobicContact CE-CD1 4.49Å; M457-L542 HydrophobicContact CE-CD2 3.76Å; M457-L542 HydrophobicContact CE-CG 3.9Å; M457-L542 HydrophobicContact SD-CD1 4.31Å; M457-L542 HydrophobicContact SD-CD2 4.38Å; M457-L542 HydrophobicContact SD-CG 4.36Å |
| 458 | F | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 139.3 | 168.3 | -61.5 | -77.9 | 0 | 0 | 0 | 110.1 | V362 R363 I384 F406 I442 K443 Q444 P487 A505 L506 N508 | V362-F458 HydrophobicContact CB-CE2 3.86Å; V362-F458 HydrophobicContact CB-CZ 3.91Å; V362-F458 HydrophobicContact CG1-CE2 3.78Å; V362-F458 HydrophobicContact CG1-CZ 4.23Å; R363-F458 HydrophobicContact CG-CE1 3.98Å; R363-F458 HydrophobicContact CG-CZ 4.05Å; I384-F458 HydrophobicContact CG2-CD1 3.76Å; I384-F458 HydrophobicContact CG2-CE1 3.58Å; F406-F458 HydrophobicContact CE2-CB 3.9Å; F406-F458 HydrophobicContact CZ-CB 4.27Å; I442-F458 HydrophobicContact CG2-CD1 4.47Å; K443-F458 CarbonylContact O-C 3.27Å; K443-F458 VanDerWaalsContact O-CA 3.32Å; K443-F458 WeakPolarHBondContact O-CA 3.49Å; Q444-F458 HydrophobicContact CB-CD1 3.7Å; Q444-F458 HydrophobicContact CB-CE1 3.73Å; Q444-F458 HydrophobicContact CG-CE1 4.39Å; F458-P487 HydrophobicContact CD1-CG 3.91Å; F458-P487 HydrophobicContact CD2-CG 4.03Å; F458-P487 HydrophobicContact CE1-CG 3.87Å; F458-P487 HydrophobicContact CE2-CG 3.97Å; F458-P487 HydrophobicContact CG-CG 4Å; F458-P487 HydrophobicContact CZ-CG 3.89Å; F458-A505 CarbonylContact O-C 3.52Å; F458-A505 VanDerWaalsContact O-CA 3.24Å; F458-A505 WeakPolarHBondContact O-CA 3.46Å; F458-L506 HydrophobicContact CB-CB 4.46Å; F458-L506 PolarHBondContact N-O 2.71Å; F458-L506 PolarHBondContact O-N 3.46Å; F458-N508 WeakPolarHBondContact CD2-OD1 3.32Å; F458-N508 WeakPolarHBondContact CE2-OD1 2.97Å |
| 459 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126 | 174.3 | -57.6 | -179.7 | 0 | 0 | 0 | 107.8 | I442 K443 V445 M457 I503 F504 A505 L542 Y547 | I442-I459 CarbonylContact C-O 3.05Å; I442-I459 WeakPolarHBondContact CA-O 3.41Å; K443-I459 PolarHBondContact N-O 3.17Å; K443-I459 PolarHBondContact O-N 3.09Å; V445-I459 HydrophobicContact CG1-CD1 4.12Å; V445-I459 HydrophobicContact CG2-CD1 3.73Å; V445-I459 HydrophobicContact CG2-CG1 4.11Å; M457-I459 HydrophobicContact CE-CD1 4.26Å; M457-I459 HydrophobicContact CE-CG1 4.43Å; M457-I459 HydrophobicContact CG-CG1 4.36Å; I459-I503 HydrophobicContact CG2-CG2 3.51Å; I459-F504 CarbonylContact C-O 3.58Å; I459-F504 WeakPolarHBondContact CA-O 3.14Å; I459-A505 HydrophobicContact CG1-CB 4.46Å; I459-L542 HydrophobicContact CD1-CD2 3.77Å; I459-L542 HydrophobicContact CG1-CD2 4.32Å; I459-Y547 HydrophobicContact CD1-CD1 4.35Å; I459-Y547 HydrophobicContact CD1-CD2 4.09Å; I459-Y547 HydrophobicContact CD1-CE1 3.9Å; I459-Y547 HydrophobicContact CD1-CE2 3.6Å; I459-Y547 HydrophobicContact CD1-CG 4.45Å; I459-Y547 VanDerWaalsContact CD1-CZ 3.48Å; I459-Y547 HydrophobicContact CG2-CD1 4.18Å; I459-Y547 HydrophobicContact CG2-CE1 3.88Å |
| 460 | F | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.6 | -176.5 | 174.1 | -134.2 | 0 | 0 | 0 | 110.4 | F406 N407 Y440 E441 I442 L494 I497 F504 | F406-F460 HydrophobicContact CB-CB 4.43Å; F406-F460 HydrophobicContact CB-CD1 3.29Å; F406-F460 HydrophobicContact CB-CD2 4.16Å; F406-F460 HydrophobicContact CB-CE1 3.4Å; F406-F460 HydrophobicContact CB-CE2 4.19Å; F406-F460 HydrophobicContact CB-CG 3.72Å; F406-F460 HydrophobicContact CB-CZ 3.9Å; F406-F460 HydrophobicContact CD2-CB 3.7Å; F406-F460 HydrophobicContact CD2-CD1 4.14Å; F406-F460 AromaticContact CD2-CG 3.9Å; F406-F460 HydrophobicContact CD2-CG 3.9Å; F406-F460 HydrophobicContact CE2-CB 4.3Å; F406-F460 HydrophobicContact CG-CB 4.29Å; F406-F460 AromaticContact CG-CD1 3.87Å; F406-F460 HydrophobicContact CG-CD1 3.87Å; F406-F460 HydrophobicContact CG-CE1 4.44Å; F406-F460 HydrophobicContact CG-CG 4.11Å; N407-F460 HydrophobicContact CB-CE2 4.04Å; N407-F460 HydrophobicContact CB-CZ 3.73Å; Y440-F460 HydrophobicContact CD1-CE2 4.04Å; Y440-F460 HydrophobicContact CD1-CZ 4.1Å; Y440-F460 HydrophobicContact CG-CE2 4.03Å; Y440-F460 HydrophobicContact CG-CZ 4.33Å; E441-F460 WeakPolarHBondContact O-CA 3.29Å; I442-F460 HydrophobicContact CD1-CD2 4.16Å; I442-F460 HydrophobicContact CD1-CE2 4.46Å; I442-F460 HydrophobicContact CG1-CB 4.32Å; I442-F460 HydrophobicContact CG1-CD2 3.45Å; I442-F460 VanDerWaalsContact CG1-CD2 3.45Å; I442-F460 HydrophobicContact CG1-CE2 4.09Å; I442-F460 HydrophobicContact CG1-CG 4.18Å; F460-L494 HydrophobicContact CE1-CD2 4.19Å; F460-L494 HydrophobicContact CE1-CG 4.47Å; F460-L494 HydrophobicContact CZ-CD2 3.79Å; F460-L494 HydrophobicContact CZ-CG 4.48Å; F460-I497 HydrophobicContact CB-CD1 4.42Å; F460-I497 HydrophobicContact CD1-CD1 3.06Å; F460-I497 HydrophobicContact CD2-CD1 4.25Å; F460-I497 HydrophobicContact CE1-CD1 3.1Å; F460-I497 HydrophobicContact CE2-CD1 4.31Å; F460-I497 HydrophobicContact CG-CD1 3.66Å; F460-I497 HydrophobicContact CZ-CD1 3.74Å; F460-I497 WeakPolarHBondContact O-CD1 3.1Å; F460-F504 HydrophobicContact CB-CB 4.4Å; F460-F504 HydrophobicContact CB-CD1 4.39Å; F460-F504 HydrophobicContact CD1-CB 4.4Å; F460-F504 HydrophobicContact CD1-CD1 4.48Å; F460-F504 PolarHBondContact N-O 3.12Å; F460-F504 PolarHBondContact O-N 2.92Å |
| 461 | H | 97.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 174.1 | -180 | 56.8 | 68.3 | 0 | 0 | 0 | 111.1 | E441 I465 I503 | E441-H461 PolarHBondContact N-O 3.14Å; E441-H461 PolarHBondContact O-N 3.05Å; E441-H461 VanDerWaalsContact O-N 3.1Å; E441-H461 IonicContact OE2-CE1 3.8Å; E441-H461 PolarHBondContact OE2-CE1 3.31Å; H461-I465 HydrophobicContact CB-CD1 4.36Å; H461-I465 HydrophobicContact CB-CG2 4.36Å; H461-I465 WeakPolarHBondContact ND1-CG2 3.37Å; H461-I503 HydrophobicContact CB-CB 4.46Å; H461-I503 HydrophobicContact CB-CG1 4.03Å; H461-I503 HydrophobicContact CB-CG2 4.41Å |
| 462 | R | 96.4 | Very high | 97.1 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 28% | 0.275 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 144.1 | 168.3 | -76 | 175 | 164.6 | -121.9 | 5.3 | 111.2 | E439 Y440 I497 E498 | E439-R462 CarbonylContact O-C 3.54Å; E439-R462 WeakPolarHBondContact O-CA 3.49Å; E439-R462 IonicContact OE2-NH1 3.94Å; Y440-R462 HydrophobicContact CD1-CG 4.17Å; Y440-R462 HydrophobicContact CE1-CG 4.03Å; R462-I497 HydrophobicContact CG-CG2 3.82Å; R462-E498 IonicContact CZ-OE1 2.73Å; R462-E498 IonicContact CZ-OE2 2.91Å; R462-E498 IonicContact NE-OE1 2.79Å; R462-E498 PolarHBondContact NE-OE1 3.07Å; R462-E498 IonicContact NH2-OE1 3.76Å; R462-E498 PolarHBondContact NH2-OE1 3.31Å; R462-E498 IonicContact NH2-OE2 3.61Å; R462-E498 PolarHBondContact NH2-OE2 2.63Å |
| 463 | K | 95.4 | Very high | 97.2 | Very high | 92 Ų | 92 | 43.9 Ų | 43.9 | 40% | 0.4 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 152.5 | 171.7 | -78.7 | -172.2 | -166.7 | 162.8 | 0 | 110.6 | K438 E439 Y440 E441 I465 | K438-K463 WeakPolarHBondContact O-CD 3.23Å; K438-K463 WeakPolarHBondContact O-CE 3.33Å; K438-K463 PolarHBondContact O-NZ 2.97Å; E439-K463 PolarHBondContact O-N 3.48Å; Y440-K463 WeakPolarHBondContact O-CE 3.34Å; E441-K463 HydrophobicContact CB-CG 3.86Å; K463-I465 PolarHBondContact O-N 3.46Å; K463-I465 VanDerWaalsContact O-N 3.14Å |
| 464 | N | 92.6 | Very high | 97.2 | Very high | 155 Ų | 155 | 42.9 Ų | 42.9 | 83% | 0.829 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 17.2 | 177.6 | -47.4 | -40 | 0 | 0 | 0 | 114.3 | I466 | N464-I466 PolarHBondContact O-N 3.16Š|
| 465 | I | 95 | Very high | 97.2 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | trans | -59.1 | 137 | 171 | -164 | 167.5 | 0 | 0 | 0 | 110 | H461 K463 L467 N471 I503 | H461-I465 HydrophobicContact CB-CD1 4.36Å; H461-I465 HydrophobicContact CB-CG2 4.36Å; H461-I465 WeakPolarHBondContact ND1-CG2 3.37Å; K463-I465 PolarHBondContact O-N 3.46Å; K463-I465 VanDerWaalsContact O-N 3.14Å; I465-L467 HydrophobicContact CG2-CD2 3.97Å; I465-L467 PolarHBondContact O-N 2.89Å; I465-N471 HydrophobicContact CD1-CB 4.36Å; I465-I503 HydrophobicContact CD1-CD1 3.89Å; I465-I503 HydrophobicContact CD1-CG1 3.7Å | ||
| 466 | I | 95.9 | Very high | 97.3 | Very high | 122 Ų | 122 | 40.4 Ų | 40.4 | 63% | 0.626 | 19% | 0.194 | S | C | * | . | trans | -83.6 | 114.8 | -179.6 | -59.1 | 174 | 0 | 0 | 0 | 108.8 | N464 N468 N471 | N464-I466 PolarHBondContact O-N 3.16Å; I466-N468 VanDerWaalsContact C-N 3.31Å; I466-N468 HydrophobicContact CG2-CB 4.09Å; I466-N468 PolarHBondContact O-N 3.2Å; I466-N471 PolarHBondContact O-ND2 2.77Å; I466-N471 PolarHBondContact O-OD1 3.34Å | ||
| 467 | L | 96.2 | Very high | 97.3 | Very high | 65 Ų | 65 | 40.9 Ų | 40.9 | 34% | 0.34 | 20% | 0.197 | S | C | . | . | trans | -81 | 75 | 176.6 | -56.7 | -174.8 | 0 | 0 | 0 | 111.2 | I465 I503 K546 Y547 | I465-L467 HydrophobicContact CG2-CD2 3.97Å; I465-L467 PolarHBondContact O-N 2.89Å; L467-I503 HydrophobicContact CD2-CD1 4.13Å; L467-K546 CarbonylContact C-O 3.49Å; L467-K546 VanDerWaalsContact C-O 3.27Å; L467-K546 WeakPolarHBondContact CA-O 3.23Å; L467-Y547 HydrophobicContact CD1-CD1 4.23Å; L467-Y547 HydrophobicContact CD1-CE1 3.82Å; L467-Y547 HydrophobicContact CD2-CD1 3.52Å; L467-Y547 HydrophobicContact CD2-CE1 3.77Å; L467-Y547 HydrophobicContact CD2-CG 4.32Å; L467-Y547 HydrophobicContact CG-CE1 4.49Å | ||
| 468 | N | 97.1 | Very high | 97.2 | Very high | 79 Ų | 79 | 42.6 Ų | 42.6 | 42% | 0.422 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -104.9 | 7.9 | 179 | 62.9 | 18 | 0 | 0 | 0 | 113.3 | I466 R470 | I466-N468 VanDerWaalsContact C-N 3.31Å; I466-N468 HydrophobicContact CG2-CB 4.09Å; I466-N468 PolarHBondContact O-N 3.2Å; N468-R470 VanDerWaalsContact C-N 3.28Å; N468-R470 PolarHBondContact O-N 3.14Å; N468-R470 WeakPolarHBondContact OD1-CB 3.37Å; N468-R470 PolarHBondContact OD1-N 3.1Å |
| 469 | G | 97.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 7% | 0.072 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 75.4 | 6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K546 T548 N549 | G469-K546 VanDerWaalsContact CA-O 3.28Å; G469-K546 WeakPolarHBondContact CA-O 3.24Å; G469-K546 PolarHBondContact N-O 3.5Å; G469-T548 CarbonylContact O-C 3.49Å; G469-T548 WeakPolarHBondContact O-CA 3.43Å; G469-N549 VanDerWaalsContact O-CB 3.22Å; G469-N549 WeakPolarHBondContact O-CB 3.19Å; G469-N549 PolarHBondContact O-N 2.85Å; G469-N549 VanDerWaalsContact O-N 3.08Å; G469-N549 PolarHBondContact O-ND2 3.28Å |
| 470 | R | 96.4 | Very high | 97 | Very high | 189 Ų | 189 | 42.6 Ų | 42.6 | 71% | 0.713 | 21% | 0.205 | S | C | * | . | trans | -107.1 | 4.8 | -178.1 | -58.9 | -178.6 | 177.1 | 179.2 | -1.5 | 113.9 | N468 | N468-R470 VanDerWaalsContact C-N 3.28Å; N468-R470 PolarHBondContact O-N 3.14Å; N468-R470 WeakPolarHBondContact OD1-CB 3.37Å; N468-R470 PolarHBondContact OD1-N 3.1Å | ||
| 471 | N | 97.5 | Very high | 96.9 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -75.6 | 135.4 | -177.3 | -50.9 | -68.1 | 0 | 0 | 0 | 110.5 | I465 I466 C473 I503 Y547 T548 N552 | I465-N471 HydrophobicContact CD1-CB 4.36Å; I466-N471 PolarHBondContact O-ND2 2.77Å; I466-N471 PolarHBondContact O-OD1 3.34Å; N471-C473 PolarHBondContact O-N 2.85Å; N471-I503 HydrophobicContact CB-CD1 3.81Å; N471-I503 HydrophobicContact CB-CG1 4.03Å; N471-Y547 WeakPolarHBondContact CB-O 3.36Å; N471-Y547 PolarHBondContact ND2-O 3.11Å; N471-Y547 VanDerWaalsContact ND2-O 3.08Å; N471-T548 WeakPolarHBondContact O-CB 3.33Å; N471-T548 PolarHBondContact O-OG1 3.49Å; N471-N552 WeakPolarHBondContact O-CB 3.45Å |
| 472 | P | 97.9 | Very high | 96.7 | Very high | 15 Ų | 15 | 46.6 Ų | 46.6 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | trans | -52.6 | 128.9 | 164.5 | -27.9 | 38.2 | 0 | 0 | 0 | 110.1 | F496 F500 G502 I503 L704 I706 | P472-F496 HydrophobicContact CB-CE2 4.23Å; P472-F496 HydrophobicContact CB-CZ 3.8Å; P472-F500 HydrophobicContact CB-CB 4.42Å; P472-G502 CarbonylContact O-C 3.53Å; P472-G502 VanDerWaalsContact O-CA 3.22Å; P472-G502 WeakPolarHBondContact O-CA 3.38Å; P472-I503 PolarHBondContact O-N 3.04Å; P472-L704 HydrophobicContact CB-CD1 3.74Å; P472-L704 HydrophobicContact CG-CD1 4.15Å; P472-I706 HydrophobicContact CB-CD1 4.43Å; P472-I706 HydrophobicContact CG-CD1 3.67Å | ||
| 473 | C | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.5 | -178.2 | -175 | 0 | 0 | 0 | 0 | 111.3 | N471 I503 T548 N552 L553 I554 | N471-C473 PolarHBondContact O-N 2.85Å; C473-I503 CarbonylContact C-O 3.5Å; C473-I503 WeakPolarHBondContact CA-O 3.49Å; C473-I503 HydrophobicContact CB-CB 4.37Å; C473-I503 PolarHBondContact SG-O 3Å; C473-I503 VanDerWaalsContact SG-O 3.36Å; C473-T548 VanDerWaalsContact CB-CB 3.47Å; C473-T548 HydrophobicContact CB-CG2 3.75Å; C473-T548 WeakPolarHBondContact CB-OG1 3.18Å; C473-N552 PolarHBondContact N-O 3.27Å; C473-L553 HydrophobicContact CB-CD1 4.1Å; C473-I554 PolarHBondContact O-N 3.14Å |
| 474 | K | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.3 | 168.5 | -72.6 | 175 | 70.1 | -169.7 | 0 | 108.5 | N492 E493 F496 I503 F504 A505 I554 I700 | K474-N492 PolarHBondContact NZ-ND2 3.46Å; K474-E493 WeakPolarHBondContact CE-OE2 3.14Å; K474-E493 VanDerWaalsContact NZ-CD 3.35Å; K474-E493 IonicContact NZ-OE1 2.69Å; K474-E493 PolarHBondContact NZ-OE1 2.94Å; K474-E493 IonicContact NZ-OE2 3.96Å; K474-E493 PolarHBondContact NZ-OE2 2.75Å; K474-F496 HydrophobicContact CB-CD1 4.4Å; K474-F496 HydrophobicContact CB-CE1 4.08Å; K474-F496 HydrophobicContact CB-CZ 4.44Å; K474-F496 HydrophobicContact CD-CB 4.05Å; K474-F496 HydrophobicContact CD-CD1 3.59Å; K474-F496 HydrophobicContact CD-CD2 3.58Å; K474-F496 HydrophobicContact CD-CE1 3.85Å; K474-F496 HydrophobicContact CD-CE2 3.85Å; K474-F496 HydrophobicContact CD-CG 3.44Å; K474-F496 VanDerWaalsContact CD-CG 3.44Å; K474-F496 HydrophobicContact CD-CZ 3.98Å; K474-F496 HydrophobicContact CG-CD1 3.98Å; K474-F496 HydrophobicContact CG-CD2 4.16Å; K474-F496 HydrophobicContact CG-CE1 3.68Å; K474-F496 HydrophobicContact CG-CE2 3.9Å; K474-F496 HydrophobicContact CG-CG 4.2Å; K474-F496 HydrophobicContact CG-CZ 3.65Å; K474-I503 PolarHBondContact N-O 2.84Å; K474-F504 HydrophobicContact CB-CD2 4.1Å; K474-F504 CarbonylContact O-C 3.55Å; K474-F504 WeakPolarHBondContact O-CA 3.2Å; K474-A505 PolarHBondContact O-N 3.36Å; K474-I554 CarbonylContact C-O 3.55Å; K474-I554 WeakPolarHBondContact CA-O 3.47Å; K474-I554 HydrophobicContact CG-CB 4.24Å; K474-I554 HydrophobicContact CG-CD1 4.42Å; K474-I554 HydrophobicContact CG-CG2 4.45Å; K474-I700 HydrophobicContact CD-CD1 4.1Å |
| 475 | L | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 133.4 | 170.5 | 172.9 | 60.7 | 0 | 0 | 0 | 108.7 | M457 A505 A507 L535 A538 A539 L542 L553 I554 L555 Q556 | M457-L475 HydrophobicContact SD-CD1 4.01Å; L475-A505 CarbonylContact C-O 3.1Å; L475-A505 WeakPolarHBondContact CA-O 3.15Å; L475-A505 HydrophobicContact CD1-CB 3.99Å; L475-A507 HydrophobicContact CD1-CB 4.1Å; L475-L535 HydrophobicContact CD1-CD1 4.27Å; L475-L535 HydrophobicContact CD2-CD1 3.96Å; L475-L535 HydrophobicContact CG-CD1 3.98Å; L475-A538 HydrophobicContact CD1-CB 4.11Å; L475-A538 HydrophobicContact CD2-CB 4.05Å; L475-A539 HydrophobicContact CD2-CB 3.83Å; L475-L542 HydrophobicContact CB-CD1 4.22Å; L475-L542 HydrophobicContact CD1-CD1 4.12Å; L475-L542 HydrophobicContact CD2-CD1 4.27Å; L475-L542 HydrophobicContact CG-CD1 4.44Å; L475-L553 HydrophobicContact CB-CD1 3.94Å; L475-I554 PolarHBondContact N-O 3.19Å; L475-L555 HydrophobicContact CB-CD1 4.09Å; L475-L555 HydrophobicContact CD2-CD1 3.98Å; L475-L555 HydrophobicContact CG-CD1 3.82Å; L475-L555 WeakPolarHBondContact O-CA 3.45Å; L475-L555 WeakPolarHBondContact O-CD1 3.37Å; L475-Q556 PolarHBondContact O-N 2.91Å |
| 476 | S | 98.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 152 | 175.6 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | A505 L506 A507 Q556 | S476-A505 PolarHBondContact N-O 3.27Å; S476-L506 WeakPolarHBondContact O-CA 3.38Å; S476-A507 PolarHBondContact O-N 3.24Å; S476-Q556 WeakPolarHBondContact CA-O 3.33Å; S476-Q556 PolarHBondContact OG-O 3.4Å |
| 477 | A | 98.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | trans | -153 | 156.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A507 I509 L535 G561 | A477-A507 HydrophobicContact CB-CB 4.28Å; A477-A507 WeakPolarHBondContact CB-O 3.44Å; A477-I509 HydrophobicContact CB-CD1 3.59Å; A477-I509 HydrophobicContact CB-CG1 4.07Å; A477-I509 HydrophobicContact CB-CG2 4.34Å; A477-L535 HydrophobicContact CB-CD1 3.73Å; A477-L535 HydrophobicContact CB-CD2 4.25Å; A477-G561 VanDerWaalsContact O-CA 3.3Å; A477-G561 WeakPolarHBondContact O-CA 3.39Å | ||
| 478 | F | 97.7 | Very high | 96.4 | Very high | 36 Ų | 36 | 31.9 Ų | 31.9 | 16% | 0.158 | 15% | 0.149 | C | C | . | . | trans | -108.2 | -60.4 | 169.9 | -173.4 | -105.8 | 0 | 0 | 0 | 110.8 | G480 F481 Y483 N485 E559 N560 L564 | F478-G480 WeakPolarHBondContact CE1-O 3.4Å; F478-F481 AromaticContact CE1-CD2 3.69Å; F478-F481 HydrophobicContact CE1-CD2 3.69Å; F478-F481 HydrophobicContact CE1-CE2 4.36Å; F478-F481 AromaticContact CZ-CD2 3.7Å; F478-F481 HydrophobicContact CZ-CD2 3.7Å; F478-F481 AromaticContact CZ-CE2 3.95Å; F478-F481 HydrophobicContact CZ-CE2 3.95Å; F478-Y483 HydrophobicContact CD1-CD1 4.18Å; F478-Y483 HydrophobicContact CD1-CG 4.41Å; F478-Y483 HydrophobicContact CE1-CG 4.47Å; F478-N485 WeakPolarHBondContact CB-ND2 3.48Å; F478-N485 WeakPolarHBondContact CB-OD1 3.01Å; F478-E559 HydrophobicContact CE2-CB 4.48Å; F478-N560 HydrophobicContact CD2-CB 4.4Å; F478-N560 HydrophobicContact CE2-CB 3.91Å; F478-N560 HydrophobicContact CZ-CB 4.12Å; F478-N560 PolarHBondContact O-ND2 2.93Å; F478-L564 WeakPolarHBondContact O-CD1 3.22Å | ||
| 479 | G | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | 60.1 | 49.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G511 K528 N560 | G479-G511 VanDerWaalsContact C-C 3.41Å; G479-K528 PolarHBondContact O-NZ 3.35Å; G479-N560 PolarHBondContact O-ND2 2.87Å | ||
| 480 | G | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -163.1 | 164 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | F478 G482 Y483 G511 N560 E603 | F478-G480 WeakPolarHBondContact CE1-O 3.4Å; G480-G482 PolarHBondContact O-N 2.92Å; G480-G482 VanDerWaalsContact O-N 3.17Å; G480-Y483 PolarHBondContact O-N 2.78Å; G480-Y483 VanDerWaalsContact O-N 3.12Å; G480-G511 CarbonylContact C-O 2.99Å; G480-G511 WeakPolarHBondContact CA-O 3.26Å; G480-G511 PolarHBondContact N-O 2.87Å; G480-N560 WeakPolarHBondContact CA-ND2 3.49Å; G480-N560 PolarHBondContact N-ND2 3.42Å; G480-E603 WeakPolarHBondContact CA-OE1 3.36Å | ||
| 481 | F | 95.2 | Very high | 95.9 | Very high | 65 Ų | 65 | 21.8 Ų | 21.8 | 29% | 0.285 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 20.8 | 175.1 | -48.8 | -78.2 | 0 | 0 | 0 | 114.9 | F478 Y483 G511 N560 W600 E603 Y604 | F478-F481 AromaticContact CE1-CD2 3.69Å; F478-F481 HydrophobicContact CE1-CD2 3.69Å; F478-F481 HydrophobicContact CE1-CE2 4.36Å; F478-F481 AromaticContact CZ-CD2 3.7Å; F478-F481 HydrophobicContact CZ-CD2 3.7Å; F478-F481 AromaticContact CZ-CE2 3.95Å; F478-F481 HydrophobicContact CZ-CE2 3.95Å; F481-Y483 PolarHBondContact O-N 2.99Å; F481-Y483 VanDerWaalsContact O-N 3.13Å; F481-G511 PolarHBondContact N-O 2.94Å; F481-N560 HydrophobicContact CE2-CB 3.78Å; F481-W600 HydrophobicContact CE1-CB 3.89Å; F481-W600 AromaticContact CE1-CD1 3.47Å; F481-W600 VanDerWaalsContact CE1-CD1 3.47Å; F481-W600 AromaticContact CE1-CD2 3.84Å; F481-W600 HydrophobicContact CE1-CD2 3.84Å; F481-W600 AromaticContact CE1-CG 3.5Å; F481-W600 HydrophobicContact CE1-CG 3.5Å; F481-W600 VanDerWaalsContact CE1-CG 3.5Å; F481-W600 AromaticContact CE1-NE1 3.81Å; F481-W600 HydrophobicContact CZ-CB 4.29Å; F481-W600 AromaticContact CZ-CD1 3.91Å; F481-W600 AromaticContact CZ-CD2 3.5Å; F481-W600 HydrophobicContact CZ-CD2 3.5Å; F481-W600 VanDerWaalsContact CZ-CD2 3.5Å; F481-W600 AromaticContact CZ-CE2 3.61Å; F481-W600 AromaticContact CZ-CE3 3.9Å; F481-W600 HydrophobicContact CZ-CE3 3.9Å; F481-W600 AromaticContact CZ-CG 3.7Å; F481-W600 HydrophobicContact CZ-CG 3.7Å; F481-W600 HydrophobicContact CZ-CH2 4.37Å; F481-W600 HydrophobicContact CZ-CZ2 4.07Å; F481-W600 HydrophobicContact CZ-CZ3 4.3Å; F481-W600 AromaticContact CZ-NE1 3.89Å; F481-E603 WeakPolarHBondContact CA-OE2 3.3Å; F481-E603 HydrophobicContact CD1-CB 3.79Å; F481-E603 HydrophobicContact CD1-CG 3.83Å; F481-E603 HydrophobicContact CE1-CB 3.55Å; F481-E603 HydrophobicContact CE1-CG 3.6Å; F481-E603 HydrophobicContact CG-CG 4.42Å; F481-E603 HydrophobicContact CZ-CB 4.39Å; F481-E603 HydrophobicContact CZ-CG 4.02Å; F481-E603 PolarHBondContact N-OE2 3.22Å; F481-Y604 HydrophobicContact CZ-CE2 4.18Å |
| 482 | G | 93.8 | Very high | 95.8 | Very high | 22 Ų | 22 | 22.1 Ų | 22.1 | 23% | 0.227 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 17 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G480 G511 G513 H520 | G480-G482 PolarHBondContact O-N 2.92Å; G480-G482 VanDerWaalsContact O-N 3.17Å; G482-G511 PolarHBondContact N-O 2.75Å; G482-G513 VanDerWaalsContact C-N 3.25Å; G482-G513 WeakPolarHBondContact O-CA 3.49Å; G482-G513 PolarHBondContact O-N 2.55Å; G482-H520 PolarHBondContact N-CE1 3.41Å; G482-H520 PolarHBondContact N-NE2 3.38Å |
| 483 | Y | 94.1 | Very high | 95.6 | Very high | 110 Ų | 110 | 21.6 Ų | 21.6 | 43% | 0.431 | 11% | 0.105 | S | C | . | . | trans | -74.6 | 132.5 | 178.5 | -175.7 | -95.5 | 0 | 0 | 0 | 110.8 | F478 G480 F481 N485 G512 G513 | F478-Y483 HydrophobicContact CD1-CD1 4.18Å; F478-Y483 HydrophobicContact CD1-CG 4.41Å; F478-Y483 HydrophobicContact CE1-CG 4.47Å; G480-Y483 PolarHBondContact O-N 2.78Å; G480-Y483 VanDerWaalsContact O-N 3.12Å; F481-Y483 PolarHBondContact O-N 2.99Å; F481-Y483 VanDerWaalsContact O-N 3.13Å; Y483-N485 WeakPolarHBondContact CD1-OD1 3.49Å; Y483-N485 WeakPolarHBondContact CE1-OD1 3.45Å; Y483-G512 VanDerWaalsContact O-CA 3.31Å; Y483-G512 WeakPolarHBondContact O-CA 3.41Å; Y483-G513 PolarHBondContact O-N 3.3Å; Y483-G513 VanDerWaalsContact O-N 3.12Å | ||
| 484 | I | 94.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 21.6 Ų | 21.6 | 8% | 0.077 | 11% | 0.105 | C | C | . | . | trans | -92.5 | 112.7 | 179.1 | -56.4 | -178.9 | 0 | 0 | 0 | 109.4 | K342 I359 V362 Q486 E514 | K342-I484 HydrophobicContact CD-CD1 3.45Å; K342-I484 VanDerWaalsContact CD-CD1 3.45Å; I359-I484 HydrophobicContact CD1-CD1 3.85Å; I359-I484 HydrophobicContact CD1-CG2 4.22Å; I359-I484 HydrophobicContact CG2-CG2 4.34Å; V362-I484 HydrophobicContact CG1-CG2 3.92Å; I484-Q486 HydrophobicContact CG2-CG 3.71Å; I484-Q486 PolarHBondContact O-N 3.29Å; I484-E514 HydrophobicContact CG2-CG 4.07Å | ||
| 485 | N | 92.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 21.6 Ų | 21.6 | 8% | 0.08 | 11% | 0.105 | C | C | . | . | trans | -84.5 | 74.9 | -179.1 | -67.8 | -74.6 | 0 | 0 | 0 | 112.3 | F478 Y483 L506 N508 E514 | F478-N485 WeakPolarHBondContact CB-ND2 3.48Å; F478-N485 WeakPolarHBondContact CB-OD1 3.01Å; Y483-N485 WeakPolarHBondContact CD1-OD1 3.49Å; Y483-N485 WeakPolarHBondContact CE1-OD1 3.45Å; N485-L506 HydrophobicContact CB-CD1 4.43Å; N485-L506 HydrophobicContact CB-CD2 4.24Å; N485-L506 HydrophobicContact CB-CG 4.45Å; N485-N508 WeakPolarHBondContact CB-ND2 3.38Å; N485-N508 PolarHBondContact O-ND2 3.36Å; N485-E514 PolarHBondContact N-OE1 2.86Å; N485-E514 VanDerWaalsContact N-OE1 3.07Å | ||
| 486 | Q | 94.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 2% | 0.023 | 11% | 0.105 | C | C | . | . | trans | -75.8 | 162.3 | 171.9 | -57 | -168.7 | -88.1 | 0 | 0 | 111.8 | I359 V362 S364 R386 I484 Y488 | I359-Q486 HydrophobicContact CD1-CG 4.43Å; V362-Q486 HydrophobicContact CG1-CG 4.05Å; V362-Q486 WeakPolarHBondContact O-CG 3.14Å; V362-Q486 PolarHBondContact O-NE2 3.38Å; S364-Q486 PolarHBondContact OG-NE2 3.48Å; R386-Q486 HydrophobicContact CB-CB 4.09Å; R386-Q486 HydrophobicContact CG-CB 4.38Å; I484-Q486 HydrophobicContact CG2-CG 3.71Å; I484-Q486 PolarHBondContact O-N 3.29Å; Q486-Y488 PolarHBondContact O-N 3.41Å | ||
| 487 | P | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -56.9 | 141 | 172 | -20.8 | 32 | 0 | 0 | 0 | 111.6 | I384 R386 F406 F458 | I384-P487 HydrophobicContact CG2-CG 4Å; R386-P487 VanDerWaalsContact CB-O 3.28Å; R386-P487 WeakPolarHBondContact CB-O 3.16Å; F406-P487 HydrophobicContact CD2-CB 4.13Å; F406-P487 HydrophobicContact CE1-CB 4.17Å; F406-P487 HydrophobicContact CE2-CB 3.74Å; F406-P487 HydrophobicContact CE2-CG 4.18Å; F406-P487 HydrophobicContact CZ-CB 3.75Å; F406-P487 HydrophobicContact CZ-CG 4.3Å; F458-P487 HydrophobicContact CD1-CG 3.91Å; F458-P487 HydrophobicContact CD2-CG 4.03Å; F458-P487 HydrophobicContact CE1-CG 3.87Å; F458-P487 HydrophobicContact CE2-CG 3.97Å; F458-P487 HydrophobicContact CG-CG 4Å; F458-P487 HydrophobicContact CZ-CG 3.89Å | ||
| 488 | Y | 93.6 | Very high | 94.6 | Very high | 77 Ų | 77 | 22.4 Ų | 22.4 | 30% | 0.302 | 11% | 0.106 | S | C | . | . | trans | -142.8 | 154.1 | -176.8 | 61.8 | -87.7 | 0 | 0 | 0 | 108.9 | T405 F406 Q486 S490 L506 | T405-Y488 CarbonylContact O-C 3.58Å; F406-Y488 VanDerWaalsContact CA-O 3.26Å; F406-Y488 WeakPolarHBondContact CA-O 3.17Å; F406-Y488 WeakPolarHBondContact CD1-O 3.32Å; F406-Y488 HydrophobicContact CE1-CD1 4.03Å; F406-Y488 HydrophobicContact CE1-CE1 4.01Å; Q486-Y488 PolarHBondContact O-N 3.41Å; Y488-S490 PolarHBondContact O-N 2.94Å; Y488-L506 HydrophobicContact CD1-CD2 4.5Å; Y488-L506 HydrophobicContact CE1-CD2 4.14Å | ||
| 489 | Y | 94.5 | Very high | 94.4 | Very high | 38 Ų | 38 | 22.9 Ų | 22.9 | 15% | 0.149 | 11% | 0.108 | C | C | . | . | trans | -67 | 131.8 | 175.4 | 177.3 | -108.1 | 0 | 0 | 0 | 113 | L73 F76 T405 P409 P432 A491 L494 | L73-Y489 PolarHBondContact O-OH 3.28Å; F76-Y489 HydrophobicContact CE1-CD1 4.41Å; F76-Y489 AromaticContact CE1-CE1 3.65Å; F76-Y489 HydrophobicContact CE1-CE1 3.65Å; F76-Y489 HydrophobicContact CZ-CD1 4.23Å; F76-Y489 AromaticContact CZ-CE1 3.94Å; F76-Y489 HydrophobicContact CZ-CE1 3.94Å; T405-Y489 WeakPolarHBondContact O-CA 3.17Å; T405-Y489 PolarHBondContact O-N 3.3Å; P409-Y489 VanDerWaalsContact CA-CB 3.44Å; P409-Y489 HydrophobicContact CB-CD1 3.71Å; P409-Y489 HydrophobicContact CB-CD2 3.98Å; P409-Y489 HydrophobicContact CB-CE1 4Å; P409-Y489 HydrophobicContact CB-CE2 4.24Å; P409-Y489 HydrophobicContact CB-CG 3.69Å; P409-Y489 HydrophobicContact CG-CD2 4.41Å; P409-Y489 HydrophobicContact CG-CE2 4.34Å; P432-Y489 VanDerWaalsContact CG-OH 3.32Å; P432-Y489 WeakPolarHBondContact CG-OH 3.31Å; Y489-A491 HydrophobicContact CE1-CB 4.33Å; Y489-L494 HydrophobicContact CD2-CD1 4.32Å; Y489-L494 HydrophobicContact CE2-CD1 3.45Å; Y489-L494 VanDerWaalsContact CE2-CD1 3.45Å | ||
| 490 | S | 93.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 23.4 Ų | 23.4 | 10% | 0.098 | 11% | 0.11 | C | C | . | . | trans | -140.3 | 104.8 | 177.8 | -172.8 | 0 | 0 | 0 | 0 | 112 | F406 Y488 N492 E493 L494 | F406-S490 PolarHBondContact O-N 3.43Å; Y488-S490 PolarHBondContact O-N 2.94Å; S490-N492 PolarHBondContact O-N 3.15Å; S490-N492 PolarHBondContact OG-N 3.2Å; S490-E493 PolarHBondContact O-N 3.24Å; S490-E493 VanDerWaalsContact O-N 3.15Å; S490-E493 WeakPolarHBondContact OG-CG 2.99Å; S490-E493 PolarHBondContact OG-N 2.98Å; S490-L494 PolarHBondContact O-N 3.2Å | ||
| 491 | A | 93.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 9% | 0.091 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.2 | -32 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L70 L73 Y489 L495 | L70-A491 HydrophobicContact CD2-CB 4.28Å; L73-A491 HydrophobicContact CB-CB 3.69Å; L73-A491 HydrophobicContact CD1-CB 4.22Å; L73-A491 WeakPolarHBondContact CD1-O 3.47Å; Y489-A491 HydrophobicContact CE1-CB 4.33Å; A491-L495 WeakPolarHBondContact O-CB 3.32Å; A491-L495 PolarHBondContact O-N 2.88Å |
| 492 | N | 94 | Very high | 94.2 | Very high | 19 Ų | 19 | 24.1 Ų | 24.1 | 10% | 0.102 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 175.5 | 178.1 | 31.1 | 0 | 0 | 0 | 111.6 | K474 S490 L495 F496 V693 | K474-N492 PolarHBondContact NZ-ND2 3.46Å; S490-N492 PolarHBondContact O-N 3.15Å; S490-N492 PolarHBondContact OG-N 3.2Å; N492-L495 PolarHBondContact O-N 2.9Å; N492-F496 PolarHBondContact O-N 2.85Å; N492-V693 HydrophobicContact CB-CG1 3.88Å; N492-V693 HydrophobicContact CB-CG2 4.32Å; N492-V693 VanDerWaalsContact OD1-CG1 3.25Å; N492-V693 WeakPolarHBondContact OD1-CG1 3.28Å |
| 493 | E | 95.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -73.6 | -35.2 | -177.7 | -54.1 | -31.4 | 134.3 | 0 | 0 | 111.9 | K474 S490 F496 I497 F504 | K474-E493 WeakPolarHBondContact CE-OE2 3.14Å; K474-E493 VanDerWaalsContact NZ-CD 3.35Å; K474-E493 IonicContact NZ-OE1 2.69Å; K474-E493 PolarHBondContact NZ-OE1 2.94Å; K474-E493 IonicContact NZ-OE2 3.96Å; K474-E493 PolarHBondContact NZ-OE2 2.75Å; S490-E493 PolarHBondContact O-N 3.24Å; S490-E493 VanDerWaalsContact O-N 3.15Å; S490-E493 WeakPolarHBondContact OG-CG 2.99Å; S490-E493 PolarHBondContact OG-N 2.98Å; E493-F496 PolarHBondContact O-N 3.43Å; E493-I497 WeakPolarHBondContact O-CG1 3.27Å; E493-I497 PolarHBondContact O-N 3.33Å; E493-F504 HydrophobicContact CB-CB 4.3Å; E493-F504 HydrophobicContact CB-CD1 4.21Å; E493-F504 HydrophobicContact CB-CD2 4.4Å; E493-F504 HydrophobicContact CB-CG 4.03Å; E493-F504 HydrophobicContact CG-CD1 3.87Å; E493-F504 HydrophobicContact CG-CD2 3.73Å; E493-F504 HydrophobicContact CG-CE1 3.95Å; E493-F504 HydrophobicContact CG-CE2 3.83Å; E493-F504 HydrophobicContact CG-CG 3.76Å; E493-F504 HydrophobicContact CG-CZ 3.93Å; E493-F504 WeakPolarHBondContact OE2-CD2 3.38Å |
| 494 | L | 94 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.7 | -49.4 | 170 | -85.5 | 173.6 | 0 | 0 | 0 | 111.9 | L73 N407 L435 Y440 F460 Y489 S490 F496 I497 E498 | L73-L494 HydrophobicContact CD1-CB 3.98Å; L73-L494 HydrophobicContact CD2-CD1 4.27Å; N407-L494 HydrophobicContact CB-CD2 3.83Å; L435-L494 HydrophobicContact CD1-CD1 3.83Å; L435-L494 HydrophobicContact CD1-CD2 4.24Å; Y440-L494 HydrophobicContact CE1-CD2 4.25Å; F460-L494 HydrophobicContact CE1-CD2 4.19Å; F460-L494 HydrophobicContact CE1-CG 4.47Å; F460-L494 HydrophobicContact CZ-CD2 3.79Å; F460-L494 HydrophobicContact CZ-CG 4.48Å; Y489-L494 HydrophobicContact CD2-CD1 4.32Å; Y489-L494 HydrophobicContact CE2-CD1 3.45Å; Y489-L494 VanDerWaalsContact CE2-CD1 3.45Å; S490-L494 PolarHBondContact O-N 3.2Å; L494-F496 VanDerWaalsContact C-N 3.27Å; L494-F496 PolarHBondContact O-N 2.71Å; L494-I497 PolarHBondContact O-N 3.02Å; L494-E498 VanDerWaalsContact O-CB 3.3Å; L494-E498 WeakPolarHBondContact O-CB 3.35Å; L494-E498 WeakPolarHBondContact O-CG 3.47Å; L494-E498 PolarHBondContact O-N 3.2Å |
| 495 | L | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.3 | -45.1 | 175.5 | -178.4 | 158.3 | 0 | 0 | 0 | 110.6 | Y66 Y69 L70 L73 A491 N492 I497 E498 K499 F500 C697 | Y66-L495 HydrophobicContact CD1-CD1 4.34Å; Y66-L495 HydrophobicContact CD1-CD2 4.25Å; Y66-L495 HydrophobicContact CG-CD1 4.49Å; Y69-L495 HydrophobicContact CD1-CB 4.2Å; Y69-L495 HydrophobicContact CD1-CD1 4.13Å; Y69-L495 HydrophobicContact CD1-CG 4.03Å; Y69-L495 HydrophobicContact CE1-CB 4.5Å; L70-L495 HydrophobicContact CD1-CD1 4Å; L70-L495 HydrophobicContact CD2-CB 4.19Å; L70-L495 HydrophobicContact CD2-CD1 3.76Å; L70-L495 HydrophobicContact CG-CD1 3.47Å; L70-L495 VanDerWaalsContact CG-CD1 3.47Å; L73-L495 HydrophobicContact CD1-CB 4.19Å; A491-L495 WeakPolarHBondContact O-CB 3.32Å; A491-L495 PolarHBondContact O-N 2.88Å; N492-L495 PolarHBondContact O-N 2.9Å; L495-I497 VanDerWaalsContact C-N 3.33Å; L495-I497 PolarHBondContact O-N 2.9Å; L495-E498 PolarHBondContact O-N 2.94Å; L495-K499 HydrophobicContact CD2-CB 4.1Å; L495-K499 HydrophobicContact CD2-CG 3.96Å; L495-K499 HydrophobicContact CG-CB 4.5Å; L495-K499 HydrophobicContact CG-CG 3.83Å; L495-K499 WeakPolarHBondContact O-CB 3.47Å; L495-K499 VanDerWaalsContact O-CG 3.24Å; L495-K499 WeakPolarHBondContact O-CG 3.29Å; L495-K499 PolarHBondContact O-N 3.37Å; L495-F500 HydrophobicContact CD2-CE2 4.17Å; L495-C697 HydrophobicContact CD2-CB 3.96Å; L495-C697 WeakPolarHBondContact CD2-SG 3.35Å |
| 496 | F | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.1 | -47 | 177.9 | 176.9 | -107.9 | 0 | 0 | 0 | 111.9 | P472 K474 N492 E493 L494 F500 I700 | P472-F496 HydrophobicContact CB-CE2 4.23Å; P472-F496 HydrophobicContact CB-CZ 3.8Å; K474-F496 HydrophobicContact CB-CD1 4.4Å; K474-F496 HydrophobicContact CB-CE1 4.08Å; K474-F496 HydrophobicContact CB-CZ 4.44Å; K474-F496 HydrophobicContact CD-CB 4.05Å; K474-F496 HydrophobicContact CD-CD1 3.59Å; K474-F496 HydrophobicContact CD-CD2 3.58Å; K474-F496 HydrophobicContact CD-CE1 3.85Å; K474-F496 HydrophobicContact CD-CE2 3.85Å; K474-F496 HydrophobicContact CD-CG 3.44Å; K474-F496 VanDerWaalsContact CD-CG 3.44Å; K474-F496 HydrophobicContact CD-CZ 3.98Å; K474-F496 HydrophobicContact CG-CD1 3.98Å; K474-F496 HydrophobicContact CG-CD2 4.16Å; K474-F496 HydrophobicContact CG-CE1 3.68Å; K474-F496 HydrophobicContact CG-CE2 3.9Å; K474-F496 HydrophobicContact CG-CG 4.2Å; K474-F496 HydrophobicContact CG-CZ 3.65Å; N492-F496 PolarHBondContact O-N 2.85Å; E493-F496 PolarHBondContact O-N 3.43Å; L494-F496 VanDerWaalsContact C-N 3.27Å; L494-F496 PolarHBondContact O-N 2.71Å; F496-F500 HydrophobicContact CD2-CB 4.15Å; F496-F500 AromaticContact CD2-CD2 3.7Å; F496-F500 HydrophobicContact CD2-CD2 3.7Å; F496-F500 HydrophobicContact CD2-CE2 4.34Å; F496-F500 HydrophobicContact CD2-CG 4.03Å; F496-F500 HydrophobicContact CE2-CB 4.03Å; F496-F500 HydrophobicContact CE2-CD2 4.27Å; F496-F500 HydrophobicContact CE2-CG 4.14Å; F496-F500 HydrophobicContact CG-CD2 4.47Å; F496-F500 WeakPolarHBondContact O-CA 3.45Å; F496-F500 VanDerWaalsContact O-CB 3.23Å; F496-F500 WeakPolarHBondContact O-CB 3.49Å; F496-F500 WeakPolarHBondContact O-CD2 3.5Å; F496-F500 PolarHBondContact O-N 3.48Å; F496-I700 HydrophobicContact CD2-CD1 4.25Å; F496-I700 HydrophobicContact CD2-CG2 4.45Å; F496-I700 HydrophobicContact CE2-CD1 4.42Å; F496-I700 HydrophobicContact CE2-CG2 4.04Å |
| 497 | I | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.4 | -47.3 | 179 | -72 | 162.7 | 0 | 0 | 0 | 111.3 | Y440 F460 R462 E493 L494 L495 K499 N501 G502 F504 | Y440-I497 HydrophobicContact CD1-CG2 4.24Å; Y440-I497 HydrophobicContact CE1-CG2 4.02Å; F460-I497 HydrophobicContact CB-CD1 4.42Å; F460-I497 HydrophobicContact CD1-CD1 3.06Å; F460-I497 HydrophobicContact CD2-CD1 4.25Å; F460-I497 HydrophobicContact CE1-CD1 3.1Å; F460-I497 HydrophobicContact CE2-CD1 4.31Å; F460-I497 HydrophobicContact CG-CD1 3.66Å; F460-I497 HydrophobicContact CZ-CD1 3.74Å; F460-I497 WeakPolarHBondContact O-CD1 3.1Å; R462-I497 HydrophobicContact CG-CG2 3.82Å; E493-I497 WeakPolarHBondContact O-CG1 3.27Å; E493-I497 PolarHBondContact O-N 3.33Å; L494-I497 PolarHBondContact O-N 3.02Å; L495-I497 VanDerWaalsContact C-N 3.33Å; L495-I497 PolarHBondContact O-N 2.9Å; I497-K499 PolarHBondContact O-N 3.43Å; I497-N501 WeakPolarHBondContact O-CA 3.35Å; I497-N501 PolarHBondContact O-N 2.93Å; I497-G502 WeakPolarHBondContact CG1-O 3.35Å; I497-G502 PolarHBondContact O-N 3.25Å; I497-F504 HydrophobicContact CD1-CB 4.31Å |
| 498 | E | 92.1 | Very high | 95.4 | Very high | 40 Ų | 40 | 16.4 Ų | 16.4 | 19% | 0.187 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | -177 | -73.6 | -65.5 | 103.2 | 0 | 0 | 112.8 | Y69 Y440 R462 L494 L495 | Y69-E498 HydrophobicContact CE1-CB 4.02Å; Y69-E498 HydrophobicContact CE1-CG 4.22Å; Y69-E498 VanDerWaalsContact OH-CG 3.29Å; Y69-E498 WeakPolarHBondContact OH-CG 3.34Å; Y69-E498 PolarHBondContact OH-OE2 3.15Å; Y440-E498 VanDerWaalsContact CE1-OE1 3.32Å; Y440-E498 WeakPolarHBondContact CE1-OE1 3.36Å; Y440-E498 PolarHBondContact OH-OE1 3.43Å; R462-E498 IonicContact CZ-OE1 2.73Å; R462-E498 IonicContact CZ-OE2 2.91Å; R462-E498 IonicContact NE-OE1 2.79Å; R462-E498 PolarHBondContact NE-OE1 3.07Å; R462-E498 IonicContact NH2-OE1 3.76Å; R462-E498 PolarHBondContact NH2-OE1 3.31Å; R462-E498 IonicContact NH2-OE2 3.61Å; R462-E498 PolarHBondContact NH2-OE2 2.63Å; L494-E498 VanDerWaalsContact O-CB 3.3Å; L494-E498 WeakPolarHBondContact O-CB 3.35Å; L494-E498 WeakPolarHBondContact O-CG 3.47Å; L494-E498 PolarHBondContact O-N 3.2Å; L495-E498 PolarHBondContact O-N 2.94Å |
| 499 | K | 92.3 | Very high | 95.7 | Very high | 46 Ų | 46 | 12.7 Ų | 12.7 | 20% | 0.2 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -93.2 | -29 | -169.4 | -62 | -57.2 | -174.3 | 170.4 | 0 | 111.4 | E65 Y69 L495 I497 R708 | E65-K499 WeakPolarHBondContact OE1-CE 3.44Å; E65-K499 IonicContact OE1-NZ 3.61Å; E65-K499 PolarHBondContact OE1-NZ 3.31Å; Y69-K499 HydrophobicContact CD1-CG 4.47Å; L495-K499 HydrophobicContact CD2-CB 4.1Å; L495-K499 HydrophobicContact CD2-CG 3.96Å; L495-K499 HydrophobicContact CG-CB 4.5Å; L495-K499 HydrophobicContact CG-CG 3.83Å; L495-K499 WeakPolarHBondContact O-CB 3.47Å; L495-K499 VanDerWaalsContact O-CG 3.24Å; L495-K499 WeakPolarHBondContact O-CG 3.29Å; L495-K499 PolarHBondContact O-N 3.37Å; I497-K499 PolarHBondContact O-N 3.43Å; K499-R708 VanDerWaalsContact C-NH2 3.3Å; K499-R708 PolarHBondContact O-NE 2.83Å; K499-R708 PolarHBondContact O-NH2 3.42Å |
| 500 | F | 94 | Very high | 95.8 | Very high | 11 Ų | 11 | 11 Ų | 11 | 5% | 0.048 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -110.9 | 1.8 | -178.2 | -57.8 | -93.7 | 0 | 0 | 0 | 113.8 | P472 L495 F496 G502 C697 I700 Q701 I706 R708 | P472-F500 HydrophobicContact CB-CB 4.42Å; L495-F500 HydrophobicContact CD2-CE2 4.17Å; F496-F500 HydrophobicContact CD2-CB 4.15Å; F496-F500 AromaticContact CD2-CD2 3.7Å; F496-F500 HydrophobicContact CD2-CD2 3.7Å; F496-F500 HydrophobicContact CD2-CE2 4.34Å; F496-F500 HydrophobicContact CD2-CG 4.03Å; F496-F500 HydrophobicContact CE2-CB 4.03Å; F496-F500 HydrophobicContact CE2-CD2 4.27Å; F496-F500 HydrophobicContact CE2-CG 4.14Å; F496-F500 HydrophobicContact CG-CD2 4.47Å; F496-F500 WeakPolarHBondContact O-CA 3.45Å; F496-F500 VanDerWaalsContact O-CB 3.23Å; F496-F500 WeakPolarHBondContact O-CB 3.49Å; F496-F500 WeakPolarHBondContact O-CD2 3.5Å; F496-F500 PolarHBondContact O-N 3.48Å; F500-G502 PolarHBondContact O-N 2.62Å; F500-C697 HydrophobicContact CE2-CB 4.3Å; F500-C697 HydrophobicContact CZ-CB 4.41Å; F500-C697 WeakPolarHBondContact CZ-O 3.43Å; F500-I700 HydrophobicContact CD1-CG2 4.11Å; F500-I700 HydrophobicContact CE1-CB 4.49Å; F500-I700 HydrophobicContact CE1-CG2 3.8Å; F500-I700 HydrophobicContact CZ-CB 4.39Å; F500-I700 HydrophobicContact CZ-CG2 4.04Å; F500-Q701 HydrophobicContact CE1-CB 3.84Å; F500-Q701 HydrophobicContact CE1-CG 4.44Å; F500-Q701 HydrophobicContact CZ-CB 4.05Å; F500-I706 HydrophobicContact CD1-CD1 3.71Å; F500-I706 HydrophobicContact CE1-CD1 4.47Å; F500-R708 VanDerWaalsContact CE2-NH2 3.29Å |
| 501 | N | 94 | Very high | 96 | Very high | 79 Ų | 79 | 10.4 Ų | 10.4 | 42% | 0.422 | 5% | 0.053 | S | C | . | . | trans | 46.9 | 41.5 | -166 | -169.2 | 49.3 | 0 | 0 | 0 | 110.7 | I497 | I497-N501 WeakPolarHBondContact O-CA 3.35Å; I497-N501 PolarHBondContact O-N 2.93Å | ||
| 502 | G | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -84.2 | 174.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P472 I497 F500 | P472-G502 CarbonylContact O-C 3.53Å; P472-G502 VanDerWaalsContact O-CA 3.22Å; P472-G502 WeakPolarHBondContact O-CA 3.38Å; I497-G502 WeakPolarHBondContact CG1-O 3.35Å; I497-G502 PolarHBondContact O-N 3.25Å; F500-G502 PolarHBondContact O-N 2.62Å | ||
| 503 | I | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 123.3 | 173.5 | -55.4 | -172.2 | 0 | 0 | 0 | 108.5 | I459 H461 I465 L467 N471 P472 C473 K474 Y547 | I459-I503 HydrophobicContact CG2-CG2 3.51Å; H461-I503 HydrophobicContact CB-CB 4.46Å; H461-I503 HydrophobicContact CB-CG1 4.03Å; H461-I503 HydrophobicContact CB-CG2 4.41Å; I465-I503 HydrophobicContact CD1-CD1 3.89Å; I465-I503 HydrophobicContact CD1-CG1 3.7Å; L467-I503 HydrophobicContact CD2-CD1 4.13Å; N471-I503 HydrophobicContact CB-CD1 3.81Å; N471-I503 HydrophobicContact CB-CG1 4.03Å; P472-I503 PolarHBondContact O-N 3.04Å; C473-I503 CarbonylContact C-O 3.5Å; C473-I503 WeakPolarHBondContact CA-O 3.49Å; C473-I503 HydrophobicContact CB-CB 4.37Å; C473-I503 PolarHBondContact SG-O 3Å; C473-I503 VanDerWaalsContact SG-O 3.36Å; K474-I503 PolarHBondContact N-O 2.84Å; I503-Y547 HydrophobicContact CD1-CD1 3.82Å; I503-Y547 HydrophobicContact CG2-CD1 4.35Å |
| 504 | F | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134 | 170.8 | 176.2 | -113.1 | 0 | 0 | 0 | 110.1 | F406 I459 F460 K474 E493 I497 L506 | F406-F504 HydrophobicContact CD1-CD1 4.26Å; F406-F504 AromaticContact CD1-CE1 3.98Å; F406-F504 HydrophobicContact CD1-CE1 3.98Å; F406-F504 HydrophobicContact CE1-CD1 4.18Å; F406-F504 AromaticContact CE1-CE1 3.55Å; F406-F504 HydrophobicContact CE1-CE1 3.55Å; F406-F504 HydrophobicContact CE2-CE1 4.49Å; F406-F504 HydrophobicContact CZ-CD1 4.33Å; F406-F504 AromaticContact CZ-CE1 3.82Å; F406-F504 HydrophobicContact CZ-CE1 3.82Å; I459-F504 CarbonylContact C-O 3.58Å; I459-F504 WeakPolarHBondContact CA-O 3.14Å; F460-F504 HydrophobicContact CB-CB 4.4Å; F460-F504 HydrophobicContact CB-CD1 4.39Å; F460-F504 HydrophobicContact CD1-CB 4.4Å; F460-F504 HydrophobicContact CD1-CD1 4.48Å; F460-F504 PolarHBondContact N-O 3.12Å; F460-F504 PolarHBondContact O-N 2.92Å; K474-F504 HydrophobicContact CB-CD2 4.1Å; K474-F504 CarbonylContact O-C 3.55Å; K474-F504 WeakPolarHBondContact O-CA 3.2Å; E493-F504 HydrophobicContact CB-CB 4.3Å; E493-F504 HydrophobicContact CB-CD1 4.21Å; E493-F504 HydrophobicContact CB-CD2 4.4Å; E493-F504 HydrophobicContact CB-CG 4.03Å; E493-F504 HydrophobicContact CG-CD1 3.87Å; E493-F504 HydrophobicContact CG-CD2 3.73Å; E493-F504 HydrophobicContact CG-CE1 3.95Å; E493-F504 HydrophobicContact CG-CE2 3.83Å; E493-F504 HydrophobicContact CG-CG 3.76Å; E493-F504 HydrophobicContact CG-CZ 3.93Å; E493-F504 WeakPolarHBondContact OE2-CD2 3.38Å; I497-F504 HydrophobicContact CD1-CB 4.31Å; F504-L506 HydrophobicContact CE1-CB 3.97Å; F504-L506 HydrophobicContact CZ-CB 4.09Å; F504-L506 HydrophobicContact CZ-CD1 4.49Å |
| 505 | A | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | M457 F458 I459 K474 L475 S476 L542 | M457-A505 HydrophobicContact CG-CB 4.35Å; M457-A505 HydrophobicContact SD-CB 3.9Å; F458-A505 CarbonylContact O-C 3.52Å; F458-A505 VanDerWaalsContact O-CA 3.24Å; F458-A505 WeakPolarHBondContact O-CA 3.46Å; I459-A505 HydrophobicContact CG1-CB 4.46Å; K474-A505 PolarHBondContact O-N 3.36Å; L475-A505 CarbonylContact C-O 3.1Å; L475-A505 WeakPolarHBondContact CA-O 3.15Å; L475-A505 HydrophobicContact CD1-CB 3.99Å; S476-A505 PolarHBondContact N-O 3.27Å; A505-L542 HydrophobicContact CB-CD1 3.76Å; A505-L542 HydrophobicContact CB-CD2 4.15Å |
| 506 | L | 98.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 12.3 Ų | 12.3 | 3% | 0.026 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 106.4 | 177.2 | -179.6 | 65.1 | 0 | 0 | 0 | 109.1 | F406 M457 F458 S476 N485 Y488 F504 | F406-L506 HydrophobicContact CE1-CD2 4.13Å; F406-L506 HydrophobicContact CZ-CB 4.14Å; F406-L506 HydrophobicContact CZ-CD2 3.79Å; M457-L506 CarbonylContact C-O 3.58Å; M457-L506 WeakPolarHBondContact CA-O 3.4Å; M457-L506 WeakPolarHBondContact CG-O 3.26Å; F458-L506 HydrophobicContact CB-CB 4.46Å; F458-L506 PolarHBondContact N-O 2.71Å; F458-L506 PolarHBondContact O-N 3.46Å; S476-L506 WeakPolarHBondContact O-CA 3.38Å; N485-L506 HydrophobicContact CB-CD1 4.43Å; N485-L506 HydrophobicContact CB-CD2 4.24Å; N485-L506 HydrophobicContact CB-CG 4.45Å; Y488-L506 HydrophobicContact CD1-CD2 4.5Å; Y488-L506 HydrophobicContact CE1-CD2 4.14Å; F504-L506 HydrophobicContact CE1-CB 3.97Å; F504-L506 HydrophobicContact CZ-CB 4.09Å; F504-L506 HydrophobicContact CZ-CD1 4.49Å |
| 507 | A | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 131.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M457 L475 S476 A477 I509 L535 A538 | M457-A507 HydrophobicContact CG-CB 4.34Å; M457-A507 HydrophobicContact SD-CB 4.2Å; L475-A507 HydrophobicContact CD1-CB 4.1Å; S476-A507 PolarHBondContact O-N 3.24Å; A477-A507 HydrophobicContact CB-CB 4.28Å; A477-A507 WeakPolarHBondContact CB-O 3.44Å; A507-I509 HydrophobicContact CB-CG2 3.94Å; A507-I509 PolarHBondContact O-N 3.49Å; A507-L535 HydrophobicContact CB-CD1 4.39Å; A507-A538 HydrophobicContact CB-CB 3.89Å |
| 508 | N | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -98.4 | 64.6 | -177.7 | -69.7 | 113.1 | 0 | 0 | 0 | 110.9 | V362 I455 P456 F458 N485 E514 W519 | V362-N508 WeakPolarHBondContact CG1-ND2 3.22Å; V362-N508 HydrophobicContact CG2-CB 4.09Å; I455-N508 VanDerWaalsContact CG2-O 3.3Å; I455-N508 WeakPolarHBondContact CG2-O 3.34Å; P456-N508 HydrophobicContact CB-CB 4.14Å; P456-N508 HydrophobicContact CG-CB 3.71Å; P456-N508 WeakPolarHBondContact O-CB 3.45Å; P456-N508 PolarHBondContact O-N 3.48Å; F458-N508 WeakPolarHBondContact CD2-OD1 3.32Å; F458-N508 WeakPolarHBondContact CE2-OD1 2.97Å; N485-N508 WeakPolarHBondContact CB-ND2 3.38Å; N485-N508 PolarHBondContact O-ND2 3.36Å; N508-E514 HydrophobicContact CB-CG 3.97Å; N508-E514 PolarHBondContact ND2-OE1 2.74Å; N508-W519 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 509 | I | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -73 | 163.7 | -173.3 | 64.8 | -178.4 | 0 | 0 | 0 | 113 | I455 A477 A507 G512 W519 A531 D534 L535 L564 | I455-I509 HydrophobicContact CG2-CG2 4.41Å; A477-I509 HydrophobicContact CB-CD1 3.59Å; A477-I509 HydrophobicContact CB-CG1 4.07Å; A477-I509 HydrophobicContact CB-CG2 4.34Å; A507-I509 HydrophobicContact CB-CG2 3.94Å; A507-I509 PolarHBondContact O-N 3.49Å; I509-G512 PolarHBondContact O-N 3.29Å; I509-W519 PolarHBondContact O-NE1 3.17Å; I509-A531 HydrophobicContact CD1-CB 4.18Å; I509-D534 HydrophobicContact CB-CB 3.62Å; I509-D534 HydrophobicContact CG2-CB 3.52Å; I509-L535 HydrophobicContact CD1-CB 4.3Å; I509-L535 HydrophobicContact CG2-CB 4.39Å; I509-L564 HydrophobicContact CD1-CD1 3.49Å; I509-L564 VanDerWaalsContact CD1-CD1 3.49Å | ||
| 510 | R | 98.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 1% | 0.011 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 155.7 | 172.5 | -73.8 | 172.2 | -78 | -173.7 | -9.9 | 112.3 | S449 D451 T453 G512 W519 T530 A531 D534 | S449-R510 PolarHBondContact OG-NH2 2.78Å; D451-R510 IonicContact OD1-CZ 3.61Å; D451-R510 IonicContact OD1-NH1 2.76Å; D451-R510 PolarHBondContact OD1-NH1 3.06Å; D451-R510 IonicContact OD1-NH2 3.5Å; D451-R510 PolarHBondContact OD1-NH2 3.15Å; D451-R510 IonicContact OD2-CZ 3.84Å; D451-R510 IonicContact OD2-NH1 3.93Å; D451-R510 PolarHBondContact OD2-NH1 3.47Å; D451-R510 IonicContact OD2-NH2 2.96Å; D451-R510 PolarHBondContact OD2-NH2 2.69Å; T453-R510 PolarHBondContact OG1-NH1 2.68Å; R510-G512 VanDerWaalsContact C-N 3.27Å; R510-W519 HydrophobicContact CG-CD2 3.57Å; R510-W519 VanDerWaalsContact CG-CE2 3.49Å; R510-W519 HydrophobicContact CG-CE3 3.75Å; R510-W519 HydrophobicContact CG-CG 4.29Å; R510-W519 HydrophobicContact CG-CH2 3.83Å; R510-W519 HydrophobicContact CG-CZ2 3.61Å; R510-W519 HydrophobicContact CG-CZ3 3.89Å; R510-T530 VanDerWaalsContact NE-CG2 3.27Å; R510-A531 VanDerWaalsContact O-CB 3.23Å; R510-A531 WeakPolarHBondContact O-CB 3.42Å; R510-D534 VanDerWaalsContact CB-OD2 3.32Å; R510-D534 WeakPolarHBondContact CB-OD2 3.32Å; R510-D534 WeakPolarHBondContact CG-OD2 3.36Å; R510-D534 IonicContact CZ-OD1 2.95Å; R510-D534 IonicContact CZ-OD2 3.45Å; R510-D534 PolarHBondContact N-OD2 3.25Å; R510-D534 IonicContact NE-OD1 3.14Å; R510-D534 PolarHBondContact NE-OD1 3.32Å; R510-D534 IonicContact NE-OD2 2.66Å; R510-D534 PolarHBondContact NE-OD2 2.6Å; R510-D534 IonicContact NH2-OD1 3.09Å; R510-D534 PolarHBondContact NH2-OD1 2.73Å; R510-D534 IonicContact NH2-OD2 3.32Å |
| 511 | G | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | -24.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G479 G480 F481 G482 W519 H520 | G479-G511 VanDerWaalsContact C-C 3.41Å; G480-G511 CarbonylContact C-O 2.99Å; G480-G511 WeakPolarHBondContact CA-O 3.26Å; G480-G511 PolarHBondContact N-O 2.87Å; F481-G511 PolarHBondContact N-O 2.94Å; G482-G511 PolarHBondContact N-O 2.75Å; G511-W519 PolarHBondContact N-O 2.93Å; G511-W519 VanDerWaalsContact N-O 3.1Å; G511-H520 WeakPolarHBondContact CA-O 3.42Å; G511-H520 PolarHBondContact O-CD2 2.79Å |
| 512 | G | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -74.7 | -174.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y483 I509 R510 E514 H520 | Y483-G512 VanDerWaalsContact O-CA 3.31Å; Y483-G512 WeakPolarHBondContact O-CA 3.41Å; I509-G512 PolarHBondContact O-N 3.29Å; R510-G512 VanDerWaalsContact C-N 3.27Å; G512-E514 VanDerWaalsContact C-OE2 3.26Å; G512-E514 WeakPolarHBondContact CA-OE2 3.35Å; G512-H520 VanDerWaalsContact O-CA 3.24Å; G512-H520 WeakPolarHBondContact O-CA 3.38Å; G512-H520 WeakPolarHBondContact O-CB 3.39Å; G512-H520 PolarHBondContact O-N 2.75Å |
| 513 | G | 93.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 7% | 0.072 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -105.9 | 10.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G482 Y483 F515 G516 | G482-G513 VanDerWaalsContact C-N 3.25Å; G482-G513 WeakPolarHBondContact O-CA 3.49Å; G482-G513 PolarHBondContact O-N 2.55Å; Y483-G513 PolarHBondContact O-N 3.3Å; Y483-G513 VanDerWaalsContact O-N 3.12Å; G513-F515 PolarHBondContact O-N 3.15Å; G513-F515 VanDerWaalsContact O-N 3.16Å; G513-G516 PolarHBondContact O-N 2.76Å |
| 514 | E | 93.4 | Very high | 96 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -33.6 | -166.7 | -74.1 | 84.5 | 177.7 | 0 | 0 | 114 | V362 I484 N485 N508 G512 W519 | V362-E514 HydrophobicContact CB-CG 4.34Å; V362-E514 HydrophobicContact CG1-CG 3.88Å; V362-E514 HydrophobicContact CG2-CB 3.88Å; V362-E514 HydrophobicContact CG2-CG 3.5Å; V362-E514 VanDerWaalsContact CG2-CG 3.5Å; I484-E514 HydrophobicContact CG2-CG 4.07Å; N485-E514 PolarHBondContact N-OE1 2.86Å; N485-E514 VanDerWaalsContact N-OE1 3.07Å; N508-E514 HydrophobicContact CB-CG 3.97Å; N508-E514 PolarHBondContact ND2-OE1 2.74Å; G512-E514 VanDerWaalsContact C-OE2 3.26Å; G512-E514 WeakPolarHBondContact CA-OE2 3.35Å; E514-W519 PolarHBondContact OE2-NE1 3.04Å |
| 515 | F | 93 | Very high | 95.8 | Very high | 49 Ų | 49 | 28.5 Ų | 28.5 | 22% | 0.215 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 27.3 | 178.8 | -52 | -80.5 | 0 | 0 | 0 | 112.2 | F315 P456 G513 W519 | F315-F515 VanDerWaalsContact CZ-C 3.46Å; P456-F515 HydrophobicContact CG-CE2 3.75Å; P456-F515 HydrophobicContact CG-CZ 3.77Å; G513-F515 PolarHBondContact O-N 3.15Å; G513-F515 VanDerWaalsContact O-N 3.16Å; F515-W519 HydrophobicContact CB-CB 3.89Å; F515-W519 HydrophobicContact CB-CD2 4.18Å; F515-W519 HydrophobicContact CB-CE3 4.19Å; F515-W519 HydrophobicContact CB-CG 4.05Å; F515-W519 AromaticContact CD2-CD2 3.51Å; F515-W519 HydrophobicContact CD2-CD2 3.51Å; F515-W519 AromaticContact CD2-CE2 3.67Å; F515-W519 AromaticContact CD2-CE3 3.56Å; F515-W519 HydrophobicContact CD2-CE3 3.56Å; F515-W519 HydrophobicContact CD2-CG 4.04Å; F515-W519 AromaticContact CD2-CH2 3.89Å; F515-W519 HydrophobicContact CD2-CH2 3.89Å; F515-W519 AromaticContact CD2-CZ2 3.89Å; F515-W519 HydrophobicContact CD2-CZ2 3.89Å; F515-W519 AromaticContact CD2-CZ3 3.74Å; F515-W519 HydrophobicContact CD2-CZ3 3.74Å; F515-W519 HydrophobicContact CE2-CD2 4.39Å; F515-W519 HydrophobicContact CE2-CE3 4.35Å; F515-W519 AromaticContact CE2-CH2 3.86Å; F515-W519 HydrophobicContact CE2-CH2 3.86Å; F515-W519 AromaticContact CE2-CZ2 3.95Å; F515-W519 HydrophobicContact CE2-CZ2 3.95Å; F515-W519 HydrophobicContact CE2-CZ3 4.08Å; F515-W519 HydrophobicContact CG-CD2 4.32Å; F515-W519 HydrophobicContact CG-CE3 4.27Å |
| 516 | G | 90.4 | Very high | 95.7 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 12% | 0.124 | 15% | 0.147 | C | C | . | . | trans | 93 | -170.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G513 E518 W519 H520 | G513-G516 PolarHBondContact O-N 2.76Å; G516-E518 VanDerWaalsContact C-N 3.28Å; G516-E518 PolarHBondContact O-N 2.75Å; G516-W519 VanDerWaalsContact O-CB 3.31Å; G516-W519 WeakPolarHBondContact O-CB 3.42Å; G516-W519 PolarHBondContact O-N 3.46Å; G516-H520 PolarHBondContact O-N 2.84Å; G516-H520 VanDerWaalsContact O-N 3.1Å | ||
| 517 | E | 89.9 | Confident | 95.6 | Very high | 94 Ų | 94 | 35.1 Ų | 35.1 | 44% | 0.439 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.2 | -36.8 | -171.6 | -174.2 | 60.8 | -161.7 | 0 | 0 | 112.8 | W519 H520 K521 | E517-W519 VanDerWaalsContact C-N 3.31Å; E517-W519 PolarHBondContact O-N 2.61Å; E517-H520 WeakPolarHBondContact O-CB 3.47Å; E517-H520 PolarHBondContact O-N 3.1Å; E517-H520 IonicContact OE2-ND1 3.15Å; E517-K521 HydrophobicContact CG-CD 4.22Å; E517-K521 WeakPolarHBondContact O-CG 3.41Å; E517-K521 PolarHBondContact O-N 2.62Å; E517-K521 WeakPolarHBondContact OE1-CE 3.4Å |
| 518 | E | 92.9 | Very high | 95.6 | Very high | 123 Ų | 123 | 35.1 Ų | 35.1 | 58% | 0.575 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -67.5 | -34.7 | 177.6 | -173 | 55.5 | -150.6 | 0 | 0 | 111.9 | G516 H520 R522 | G516-E518 VanDerWaalsContact C-N 3.28Å; G516-E518 PolarHBondContact O-N 2.75Å; E518-H520 VanDerWaalsContact C-N 3.34Å; E518-R522 WeakPolarHBondContact O-CB 3.4Å; E518-R522 WeakPolarHBondContact O-CD 3.47Å; E518-R522 WeakPolarHBondContact O-CG 3.31Å; E518-R522 PolarHBondContact O-N 2.85Å; E518-R522 VanDerWaalsContact O-N 3.09Å |
| 519 | W | 95.2 | Very high | 95.5 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -38.3 | 173.7 | -176.7 | -97 | 0 | 0 | 0 | 112.3 | T453 I455 N508 I509 R510 G511 E514 F515 G516 E517 | T453-W519 HydrophobicContact CG2-CH2 4.03Å; T453-W519 HydrophobicContact CG2-CZ3 3.62Å; I455-W519 HydrophobicContact CD1-CH2 3.45Å; I455-W519 VanDerWaalsContact CD1-CH2 3.45Å; I455-W519 HydrophobicContact CD1-CZ2 4.02Å; I455-W519 HydrophobicContact CD1-CZ3 4.37Å; I455-W519 HydrophobicContact CG2-CZ2 4.42Å; N508-W519 WeakPolarHBondContact O-CZ2 3.49Å; I509-W519 PolarHBondContact O-NE1 3.17Å; R510-W519 HydrophobicContact CG-CD2 3.57Å; R510-W519 VanDerWaalsContact CG-CE2 3.49Å; R510-W519 HydrophobicContact CG-CE3 3.75Å; R510-W519 HydrophobicContact CG-CG 4.29Å; R510-W519 HydrophobicContact CG-CH2 3.83Å; R510-W519 HydrophobicContact CG-CZ2 3.61Å; R510-W519 HydrophobicContact CG-CZ3 3.89Å; G511-W519 PolarHBondContact N-O 2.93Å; G511-W519 VanDerWaalsContact N-O 3.1Å; E514-W519 PolarHBondContact OE2-NE1 3.04Å; F515-W519 HydrophobicContact CB-CB 3.89Å; F515-W519 HydrophobicContact CB-CD2 4.18Å; F515-W519 HydrophobicContact CB-CE3 4.19Å; F515-W519 HydrophobicContact CB-CG 4.05Å; F515-W519 AromaticContact CD2-CD2 3.51Å; F515-W519 HydrophobicContact CD2-CD2 3.51Å; F515-W519 AromaticContact CD2-CE2 3.67Å; F515-W519 AromaticContact CD2-CE3 3.56Å; F515-W519 HydrophobicContact CD2-CE3 3.56Å; F515-W519 HydrophobicContact CD2-CG 4.04Å; F515-W519 AromaticContact CD2-CH2 3.89Å; F515-W519 HydrophobicContact CD2-CH2 3.89Å; F515-W519 AromaticContact CD2-CZ2 3.89Å; F515-W519 HydrophobicContact CD2-CZ2 3.89Å; F515-W519 AromaticContact CD2-CZ3 3.74Å; F515-W519 HydrophobicContact CD2-CZ3 3.74Å; F515-W519 HydrophobicContact CE2-CD2 4.39Å; F515-W519 HydrophobicContact CE2-CE3 4.35Å; F515-W519 AromaticContact CE2-CH2 3.86Å; F515-W519 HydrophobicContact CE2-CH2 3.86Å; F515-W519 AromaticContact CE2-CZ2 3.95Å; F515-W519 HydrophobicContact CE2-CZ2 3.95Å; F515-W519 HydrophobicContact CE2-CZ3 4.08Å; F515-W519 HydrophobicContact CG-CD2 4.32Å; F515-W519 HydrophobicContact CG-CE3 4.27Å; G516-W519 VanDerWaalsContact O-CB 3.31Å; G516-W519 WeakPolarHBondContact O-CB 3.42Å; G516-W519 PolarHBondContact O-N 3.46Å; E517-W519 VanDerWaalsContact C-N 3.31Å; E517-W519 PolarHBondContact O-N 2.61Å |
| 520 | H | 96 | Very high | 95.5 | Very high | 27 Ų | 27 | 38.4 Ų | 38.4 | 13% | 0.125 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -57.2 | 173.9 | 178.7 | -161.9 | 0 | 0 | 0 | 110.3 | G482 G511 G512 G516 E517 E518 R522 G523 S524 E603 | G482-H520 PolarHBondContact N-CE1 3.41Å; G482-H520 PolarHBondContact N-NE2 3.38Å; G511-H520 WeakPolarHBondContact CA-O 3.42Å; G511-H520 PolarHBondContact O-CD2 2.79Å; G512-H520 VanDerWaalsContact O-CA 3.24Å; G512-H520 WeakPolarHBondContact O-CA 3.38Å; G512-H520 WeakPolarHBondContact O-CB 3.39Å; G512-H520 PolarHBondContact O-N 2.75Å; G516-H520 PolarHBondContact O-N 2.84Å; G516-H520 VanDerWaalsContact O-N 3.1Å; E517-H520 WeakPolarHBondContact O-CB 3.47Å; E517-H520 PolarHBondContact O-N 3.1Å; E517-H520 IonicContact OE2-ND1 3.15Å; E518-H520 VanDerWaalsContact C-N 3.34Å; H520-R522 VanDerWaalsContact C-N 3.27Å; H520-R522 PolarHBondContact O-N 2.95Å; H520-G523 CarbonylContact O-C 3.59Å; H520-G523 PolarHBondContact O-N 2.9Å; H520-S524 PolarHBondContact CD2-OG 2.89Å; H520-S524 PolarHBondContact NE2-OG 2.98Å; H520-S524 VanDerWaalsContact NE2-OG 3.09Å; H520-S524 PolarHBondContact O-N 3.05Å; H520-S524 PolarHBondContact O-OG 2.85Å; H520-E603 IonicContact CD2-OE2 3.74Å; H520-E603 IonicContact CE1-OE2 2.75Å; H520-E603 IonicContact NE2-OE2 2.76Å; H520-E603 PolarHBondContact NE2-OE2 3.09Å |
| 521 | K | 96.5 | Very high | 95.5 | Very high | 112 Ų | 112 | 38.2 Ų | 38.2 | 49% | 0.487 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -55.2 | -38.3 | -179.2 | -73.9 | 177.4 | 177.8 | 173.3 | 0 | 113.7 | E517 G523 S524 | E517-K521 HydrophobicContact CG-CD 4.22Å; E517-K521 WeakPolarHBondContact O-CG 3.41Å; E517-K521 PolarHBondContact O-N 2.62Å; E517-K521 WeakPolarHBondContact OE1-CE 3.4Å; K521-G523 PolarHBondContact O-N 3.5Å; K521-G523 VanDerWaalsContact O-N 3.09Å; K521-S524 PolarHBondContact O-N 2.9Å |
| 522 | R | 97.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 38.2 Ų | 38.2 | 30% | 0.298 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -9.6 | 177.8 | -72.8 | 172.4 | 70.4 | -153.9 | 2.2 | 114.3 | D451 T453 E518 H520 T530 | D451-R522 IonicContact OD2-NH2 2.65Å; D451-R522 PolarHBondContact OD2-NH2 2.92Å; T453-R522 PolarHBondContact OG1-NH2 3.32Å; E518-R522 WeakPolarHBondContact O-CB 3.4Å; E518-R522 WeakPolarHBondContact O-CD 3.47Å; E518-R522 WeakPolarHBondContact O-CG 3.31Å; E518-R522 PolarHBondContact O-N 2.85Å; E518-R522 VanDerWaalsContact O-N 3.09Å; H520-R522 VanDerWaalsContact C-N 3.27Å; H520-R522 PolarHBondContact O-N 2.95Å; R522-T530 WeakPolarHBondContact O-CB 3.44Å; R522-T530 WeakPolarHBondContact O-CG2 3.49Å; R522-T530 PolarHBondContact O-OG1 2.8Å |
| 523 | G | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 24.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | H520 K521 K528 | H520-G523 CarbonylContact O-C 3.59Å; H520-G523 PolarHBondContact O-N 2.9Å; K521-G523 PolarHBondContact O-N 3.5Å; K521-G523 VanDerWaalsContact O-N 3.09Å; G523-K528 WeakPolarHBondContact O-CD 3.21Å |
| 524 | S | 96.7 | Very high | 96 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -131 | 170.5 | 178.3 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | H520 K521 V526 H527 E603 | H520-S524 PolarHBondContact CD2-OG 2.89Å; H520-S524 PolarHBondContact NE2-OG 2.98Å; H520-S524 VanDerWaalsContact NE2-OG 3.09Å; H520-S524 PolarHBondContact O-N 3.05Å; H520-S524 PolarHBondContact O-OG 2.85Å; K521-S524 PolarHBondContact O-N 2.9Å; S524-V526 PolarHBondContact O-N 2.95Å; S524-H527 WeakPolarHBondContact O-CA 3.49Å; S524-H527 WeakPolarHBondContact O-CB 3.48Å; S524-H527 PolarHBondContact O-N 3.14Å; S524-E603 VanDerWaalsContact OG-CD 3.28Å; S524-E603 PolarHBondContact OG-OE1 3.1Å; S524-E603 PolarHBondContact OG-OE2 2.88Å |
| 525 | D | 95.1 | Very high | 96.2 | Very high | 59 Ų | 59 | 39.3 Ų | 39.3 | 32% | 0.316 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | 49.7 | -134 | -176.7 | -161.1 | -26.2 | 0 | 0 | 0 | 110.7 | H527 K528 E603 | D525-H527 PolarHBondContact O-N 3.38Å; D525-K528 WeakPolarHBondContact O-CB 3.47Å; D525-K528 PolarHBondContact O-N 3.3Å; D525-K528 VanDerWaalsContact O-N 3.1Å; D525-E603 PolarHBondContact N-O 2.78Å |
| 526 | V | 96.8 | Very high | 96.5 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -58.2 | -14.9 | 177 | -64 | 0 | 0 | 0 | 0 | 114.6 | S524 V612 A615 | S524-V526 PolarHBondContact O-N 2.95Å; V526-V612 HydrophobicContact CG1-CG2 4.02Å; V526-A615 HydrophobicContact CB-CB 4.02Å; V526-A615 HydrophobicContact CG1-CB 4.01Å |
| 527 | H | 97.1 | Very high | 96.9 | Very high | 100 Ų | 100 | 39.6 Ų | 39.6 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -96.8 | 4.2 | 180 | -55.5 | -60.7 | 0 | 0 | 0 | 114 | S524 D525 T529 T530 | S524-H527 WeakPolarHBondContact O-CA 3.49Å; S524-H527 WeakPolarHBondContact O-CB 3.48Å; S524-H527 PolarHBondContact O-N 3.14Å; D525-H527 PolarHBondContact O-N 3.38Å; H527-T529 PolarHBondContact O-N 2.99Å; H527-T530 WeakPolarHBondContact O-CB 3.31Å; H527-T530 PolarHBondContact O-N 2.84Å; H527-T530 PolarHBondContact O-OG1 2.62Å |
| 528 | K | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.3 | -26.7 | -177 | -165.5 | 59.3 | 158.9 | -169.2 | 0 | 114.3 | G479 G523 D525 T530 A531 N560 E603 Y619 | G479-K528 PolarHBondContact O-NZ 3.35Å; G523-K528 WeakPolarHBondContact O-CD 3.21Å; D525-K528 WeakPolarHBondContact O-CB 3.47Å; D525-K528 PolarHBondContact O-N 3.3Å; D525-K528 VanDerWaalsContact O-N 3.1Å; K528-T530 PolarHBondContact O-N 2.94Å; K528-A531 WeakPolarHBondContact O-CB 3.34Å; K528-A531 PolarHBondContact O-N 2.89Å; K528-A531 VanDerWaalsContact O-N 3.11Å; K528-N560 WeakPolarHBondContact CE-OD1 3.4Å; K528-N560 PolarHBondContact NZ-OD1 3.03Å; K528-E603 IonicContact NZ-OE1 2.85Å; K528-E603 PolarHBondContact NZ-OE1 2.84Å; K528-Y619 HydrophobicContact CB-CD1 4.4Å; K528-Y619 HydrophobicContact CB-CE1 3.72Å; K528-Y619 HydrophobicContact CB-CE2 4.49Å; K528-Y619 HydrophobicContact CG-CE1 4.23Å; K528-Y619 HydrophobicContact CG-CE2 4.1Å |
| 529 | T | 97.5 | Very high | 97.6 | Very high | 37 Ų | 37 | 29.3 Ų | 29.3 | 23% | 0.227 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -26.2 | 174.8 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | H527 A531 I532 D533 S618 Y619 | H527-T529 PolarHBondContact O-N 2.99Å; T529-A531 VanDerWaalsContact C-N 3.35Å; T529-I532 WeakPolarHBondContact O-CB 3.37Å; T529-I532 PolarHBondContact O-N 2.95Å; T529-D533 PolarHBondContact O-N 2.77Å; T529-S618 WeakPolarHBondContact CG2-OG 3.11Å; T529-Y619 HydrophobicContact CG2-CD1 3.89Å; T529-Y619 HydrophobicContact CG2-CG 4.5Å |
| 530 | T | 98.4 | Very high | 97.8 | Very high | 32 Ų | 32 | 32.9 Ų | 32.9 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 173.2 | -54.9 | 0 | 0 | 0 | 0 | 112 | R510 R522 H527 K528 I532 D533 D534 | R510-T530 VanDerWaalsContact NE-CG2 3.27Å; R522-T530 WeakPolarHBondContact O-CB 3.44Å; R522-T530 WeakPolarHBondContact O-CG2 3.49Å; R522-T530 PolarHBondContact O-OG1 2.8Å; H527-T530 WeakPolarHBondContact O-CB 3.31Å; H527-T530 PolarHBondContact O-N 2.84Å; H527-T530 PolarHBondContact O-OG1 2.62Å; K528-T530 PolarHBondContact O-N 2.94Å; T530-I532 VanDerWaalsContact C-N 3.3Å; T530-I532 PolarHBondContact O-N 3.2Å; T530-D533 PolarHBondContact O-N 3.32Å; T530-D534 PolarHBondContact O-N 3.3Å |
| 531 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.9 | -34.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I509 R510 K528 T529 L535 L564 | I509-A531 HydrophobicContact CD1-CB 4.18Å; R510-A531 VanDerWaalsContact O-CB 3.23Å; R510-A531 WeakPolarHBondContact O-CB 3.42Å; K528-A531 WeakPolarHBondContact O-CB 3.34Å; K528-A531 PolarHBondContact O-N 2.89Å; K528-A531 VanDerWaalsContact O-N 3.11Å; T529-A531 VanDerWaalsContact C-N 3.35Å; A531-L535 PolarHBondContact O-N 3.36Å; A531-L535 VanDerWaalsContact O-N 3.09Å; A531-L564 HydrophobicContact CB-CD1 4.47Å; A531-L564 HydrophobicContact CB-CD2 4.04Å |
| 532 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -45.3 | 173.3 | -63.1 | 168.3 | 0 | 0 | 0 | 110.1 | T529 T530 L535 L536 L564 K571 Y619 | T529-I532 WeakPolarHBondContact O-CB 3.37Å; T529-I532 PolarHBondContact O-N 2.95Å; T530-I532 VanDerWaalsContact C-N 3.3Å; T530-I532 PolarHBondContact O-N 3.2Å; I532-L535 PolarHBondContact O-N 3.43Å; I532-L536 HydrophobicContact CG2-CD1 4.18Å; I532-L536 WeakPolarHBondContact O-CG 3.36Å; I532-L536 PolarHBondContact O-N 3.12Å; I532-L564 HydrophobicContact CG1-CD2 3.6Å; I532-K571 HydrophobicContact CG2-CD 3.83Å; I532-Y619 VanDerWaalsContact CD1-CB 3.49Å; I532-Y619 HydrophobicContact CD1-CD2 4.42Å; I532-Y619 HydrophobicContact CD1-CG 4.06Å |
| 533 | D | 98.6 | Very high | 98.1 | Very high | 35 Ų | 35 | 26.2 Ų | 26.2 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.3 | -39.5 | 178.8 | -72.8 | 7.3 | 0 | 0 | 0 | 111.2 | K450 T529 T530 L535 L536 M537 K571 | K450-D533 HydrophobicContact CB-CB 4.48Å; K450-D533 WeakPolarHBondContact CD-OD2 3.35Å; K450-D533 IonicContact NZ-OD2 3.49Å; T529-D533 PolarHBondContact O-N 2.77Å; T530-D533 PolarHBondContact O-N 3.32Å; D533-L535 PolarHBondContact O-N 2.91Å; D533-L536 PolarHBondContact O-N 2.94Å; D533-M537 WeakPolarHBondContact O-CG 3.29Å; D533-M537 PolarHBondContact O-N 3Å; D533-K571 IonicContact OD1-NZ 2.75Å; D533-K571 PolarHBondContact OD1-NZ 3.25Å; D533-K571 VanDerWaalsContact OD1-NZ 3.09Å |
| 534 | D | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.6 | -48 | 171.6 | -70.8 | -8.7 | 0 | 0 | 0 | 111.5 | Y447 S449 I455 I509 R510 T530 L536 M537 A538 | Y447-D534 VanDerWaalsContact CE2-O 3.28Å; Y447-D534 WeakPolarHBondContact CE2-O 3.44Å; Y447-D534 PolarHBondContact OH-O 3.35Å; S449-D534 WeakPolarHBondContact CB-OD1 3.41Å; S449-D534 PolarHBondContact OG-OD1 2.97Å; I455-D534 HydrophobicContact CG1-CB 4.43Å; I509-D534 HydrophobicContact CB-CB 3.62Å; I509-D534 HydrophobicContact CG2-CB 3.52Å; R510-D534 VanDerWaalsContact CB-OD2 3.32Å; R510-D534 WeakPolarHBondContact CB-OD2 3.32Å; R510-D534 WeakPolarHBondContact CG-OD2 3.36Å; R510-D534 IonicContact CZ-OD1 2.95Å; R510-D534 IonicContact CZ-OD2 3.45Å; R510-D534 PolarHBondContact N-OD2 3.25Å; R510-D534 IonicContact NE-OD1 3.14Å; R510-D534 PolarHBondContact NE-OD1 3.32Å; R510-D534 IonicContact NE-OD2 2.66Å; R510-D534 PolarHBondContact NE-OD2 2.6Å; R510-D534 IonicContact NH2-OD1 3.09Å; R510-D534 PolarHBondContact NH2-OD1 2.73Å; R510-D534 IonicContact NH2-OD2 3.32Å; T530-D534 PolarHBondContact O-N 3.3Å; D534-L536 PolarHBondContact O-N 3.31Å; D534-M537 PolarHBondContact O-N 2.83Å; D534-A538 PolarHBondContact O-N 2.85Å |
| 535 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | -177.8 | -174.4 | 54.1 | 0 | 0 | 0 | 112.9 | L475 A477 A507 I509 A531 I532 D533 A538 A539 L555 L564 | L475-L535 HydrophobicContact CD1-CD1 4.27Å; L475-L535 HydrophobicContact CD2-CD1 3.96Å; L475-L535 HydrophobicContact CG-CD1 3.98Å; A477-L535 HydrophobicContact CB-CD1 3.73Å; A477-L535 HydrophobicContact CB-CD2 4.25Å; A507-L535 HydrophobicContact CB-CD1 4.39Å; I509-L535 HydrophobicContact CD1-CB 4.3Å; I509-L535 HydrophobicContact CG2-CB 4.39Å; A531-L535 PolarHBondContact O-N 3.36Å; A531-L535 VanDerWaalsContact O-N 3.09Å; I532-L535 PolarHBondContact O-N 3.43Å; D533-L535 PolarHBondContact O-N 2.91Å; L535-A538 WeakPolarHBondContact O-CB 3.5Å; L535-A538 PolarHBondContact O-N 3.44Å; L535-A539 PolarHBondContact O-N 2.94Å; L535-L555 HydrophobicContact CD1-CD1 4.08Å; L535-L555 HydrophobicContact CD2-CD1 4.12Å; L535-L555 HydrophobicContact CD2-CD2 4.46Å; L535-L555 HydrophobicContact CG-CD1 4.16Å; L535-L564 HydrophobicContact CD2-CB 3.99Å |
| 536 | L | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 171.8 | -72.6 | 171.9 | 0 | 0 | 0 | 111.3 | I532 D533 D534 A538 A539 E540 C568 K571 L575 F576 | I532-L536 HydrophobicContact CG2-CD1 4.18Å; I532-L536 WeakPolarHBondContact O-CG 3.36Å; I532-L536 PolarHBondContact O-N 3.12Å; D533-L536 PolarHBondContact O-N 2.94Å; D534-L536 PolarHBondContact O-N 3.31Å; L536-A538 VanDerWaalsContact C-N 3.31Å; L536-A538 PolarHBondContact O-N 3.02Å; L536-A539 WeakPolarHBondContact O-CB 3.43Å; L536-A539 PolarHBondContact O-N 2.9Å; L536-A539 VanDerWaalsContact O-N 3.14Å; L536-E540 PolarHBondContact O-N 2.97Å; L536-C568 HydrophobicContact CD2-CB 3.77Å; L536-C568 HydrophobicContact CG-CB 4.23Å; L536-K571 HydrophobicContact CD1-CB 4.33Å; L536-K571 HydrophobicContact CD1-CD 4.18Å; L536-L575 HydrophobicContact CD2-CD1 3.86Å; L536-F576 HydrophobicContact CD2-CE2 4.23Å; L536-F576 HydrophobicContact CD2-CZ 4.18Å |
| 537 | M | 98.8 | Very high | 98.5 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 25% | 0.251 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.6 | -29.6 | 177.1 | -67.4 | -53.4 | -55.3 | 0 | 0 | 112.8 | Y447 D533 D534 E540 Y541 | Y447-M537 HydrophobicContact CD2-CB 3.92Å; Y447-M537 HydrophobicContact CE2-CB 3.77Å; D533-M537 WeakPolarHBondContact O-CG 3.29Å; D533-M537 PolarHBondContact O-N 3Å; D534-M537 PolarHBondContact O-N 2.83Å; M537-E540 PolarHBondContact O-N 3.18Å; M537-Y541 WeakPolarHBondContact O-CB 3.35Å; M537-Y541 PolarHBondContact O-N 3.48Å |
| 538 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y447 M457 L475 A507 D534 L535 L536 Y541 L542 | Y447-A538 HydrophobicContact CE1-CB 3.89Å; Y447-A538 HydrophobicContact CE2-CB 4.1Å; Y447-A538 VanDerWaalsContact CE2-N 3.34Å; M457-A538 HydrophobicContact SD-CB 4.02Å; L475-A538 HydrophobicContact CD1-CB 4.11Å; L475-A538 HydrophobicContact CD2-CB 4.05Å; A507-A538 HydrophobicContact CB-CB 3.89Å; D534-A538 PolarHBondContact O-N 2.85Å; L535-A538 WeakPolarHBondContact O-CB 3.5Å; L535-A538 PolarHBondContact O-N 3.44Å; L536-A538 VanDerWaalsContact C-N 3.31Å; L536-A538 PolarHBondContact O-N 3.02Å; A538-Y541 PolarHBondContact O-N 2.92Å; A538-L542 WeakPolarHBondContact O-CG 3.36Å; A538-L542 PolarHBondContact O-N 3.07Å; A538-L542 VanDerWaalsContact O-N 3.09Å |
| 539 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L475 L535 L536 Y541 L542 I543 L553 F576 | L475-A539 HydrophobicContact CD2-CB 3.83Å; L535-A539 PolarHBondContact O-N 2.94Å; L536-A539 WeakPolarHBondContact O-CB 3.43Å; L536-A539 PolarHBondContact O-N 2.9Å; L536-A539 VanDerWaalsContact O-N 3.14Å; A539-Y541 PolarHBondContact O-N 2.81Å; A539-L542 PolarHBondContact O-N 3.08Å; A539-I543 WeakPolarHBondContact O-CD1 3.48Å; A539-I543 WeakPolarHBondContact O-CG1 3.28Å; A539-I543 PolarHBondContact O-N 2.88Å; A539-I543 VanDerWaalsContact O-N 3.13Å; A539-L553 HydrophobicContact CB-CD2 3.74Å; A539-F576 HydrophobicContact CB-CE1 3.82Å; A539-F576 HydrophobicContact CB-CZ 4.09Å |
| 540 | E | 98.7 | Very high | 98.5 | Very high | 91 Ų | 91 | 39.1 Ų | 39.1 | 43% | 0.425 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61 | -42.5 | 176.7 | -70.6 | -168.4 | -173.4 | 0 | 0 | 112.3 | L536 M537 L542 I543 Q544 | L536-E540 PolarHBondContact O-N 2.97Å; M537-E540 PolarHBondContact O-N 3.18Å; E540-L542 PolarHBondContact O-N 2.84Å; E540-I543 PolarHBondContact O-N 3.33Å; E540-Q544 VanDerWaalsContact O-CB 3.31Å; E540-Q544 WeakPolarHBondContact O-CB 2.85Å; E540-Q544 PolarHBondContact O-N 3.22Å |
| 541 | Y | 98.8 | Very high | 98.3 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 14% | 0.141 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -46.8 | 176.4 | 177.3 | -87.1 | 0 | 0 | 0 | 111.8 | V445 Y447 M457 M537 A538 A539 I543 Q544 R545 Y547 | V445-Y541 HydrophobicContact CB-CE1 4.19Å; V445-Y541 HydrophobicContact CG2-CE1 3.72Å; Y447-Y541 VanDerWaalsContact CB-CD2 3.41Å; Y447-Y541 HydrophobicContact CG-CG 4.43Å; M457-Y541 HydrophobicContact CE-CD1 3.59Å; M457-Y541 HydrophobicContact CE-CE1 4.1Å; M457-Y541 HydrophobicContact CE-CG 4.44Å; M537-Y541 WeakPolarHBondContact O-CB 3.35Å; M537-Y541 PolarHBondContact O-N 3.48Å; A538-Y541 PolarHBondContact O-N 2.92Å; A539-Y541 PolarHBondContact O-N 2.81Å; Y541-I543 VanDerWaalsContact C-N 3.3Å; Y541-I543 PolarHBondContact O-N 3.43Å; Y541-Q544 PolarHBondContact O-N 3.16Å; Y541-R545 HydrophobicContact CD1-CG 4.23Å; Y541-R545 HydrophobicContact CD2-CG 4.13Å; Y541-R545 HydrophobicContact CE1-CB 4.43Å; Y541-R545 HydrophobicContact CE1-CG 3.88Å; Y541-R545 HydrophobicContact CE2-CG 3.82Å; Y541-R545 HydrophobicContact CG-CG 4.34Å; Y541-R545 VanDerWaalsContact O-CB 3.32Å; Y541-R545 WeakPolarHBondContact O-CB 3.39Å; Y541-R545 VanDerWaalsContact O-CG 3.32Å; Y541-R545 WeakPolarHBondContact O-CG 3.21Å; Y541-R545 PolarHBondContact O-N 2.86Å; Y541-Y547 HydrophobicContact CE1-CE2 4.28Å |
| 542 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -39.1 | 179.3 | -68.9 | 170 | 0 | 0 | 0 | 111.8 | M457 I459 L475 A505 A538 A539 E540 K546 Y547 T548 | M457-L542 HydrophobicContact CE-CD1 4.49Å; M457-L542 HydrophobicContact CE-CD2 3.76Å; M457-L542 HydrophobicContact CE-CG 3.9Å; M457-L542 HydrophobicContact SD-CD1 4.31Å; M457-L542 HydrophobicContact SD-CD2 4.38Å; M457-L542 HydrophobicContact SD-CG 4.36Å; I459-L542 HydrophobicContact CD1-CD2 3.77Å; I459-L542 HydrophobicContact CG1-CD2 4.32Å; L475-L542 HydrophobicContact CB-CD1 4.22Å; L475-L542 HydrophobicContact CD1-CD1 4.12Å; L475-L542 HydrophobicContact CD2-CD1 4.27Å; L475-L542 HydrophobicContact CG-CD1 4.44Å; A505-L542 HydrophobicContact CB-CD1 3.76Å; A505-L542 HydrophobicContact CB-CD2 4.15Å; A538-L542 WeakPolarHBondContact O-CG 3.36Å; A538-L542 PolarHBondContact O-N 3.07Å; A538-L542 VanDerWaalsContact O-N 3.09Å; A539-L542 PolarHBondContact O-N 3.08Å; E540-L542 PolarHBondContact O-N 2.84Å; L542-K546 PolarHBondContact O-N 3.17Å; L542-Y547 HydrophobicContact CD2-CD2 3.94Å; L542-Y547 HydrophobicContact CD2-CG 4.03Å; L542-Y547 WeakPolarHBondContact O-CB 3.36Å; L542-Y547 PolarHBondContact O-N 3.13Å; L542-T548 HydrophobicContact CB-CG2 4.14Å; L542-T548 PolarHBondContact O-N 2.85Å |
| 543 | I | 98.7 | Very high | 98.3 | Very high | 43 Ų | 43 | 43 Ų | 43 | 22% | 0.221 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.9 | -51.2 | 177 | -65.4 | 162.4 | 0 | 0 | 0 | 110.4 | A539 E540 Y541 R545 K546 T548 P550 L553 L575 | A539-I543 WeakPolarHBondContact O-CD1 3.48Å; A539-I543 WeakPolarHBondContact O-CG1 3.28Å; A539-I543 PolarHBondContact O-N 2.88Å; A539-I543 VanDerWaalsContact O-N 3.13Å; E540-I543 PolarHBondContact O-N 3.33Å; Y541-I543 VanDerWaalsContact C-N 3.3Å; Y541-I543 PolarHBondContact O-N 3.43Å; I543-R545 VanDerWaalsContact C-N 3.29Å; I543-R545 PolarHBondContact O-N 2.93Å; I543-K546 PolarHBondContact O-N 3.06Å; I543-T548 HydrophobicContact CG1-CG2 4.29Å; I543-P550 HydrophobicContact CD1-CG 3.91Å; I543-L553 HydrophobicContact CD1-CD2 4.24Å; I543-L575 HydrophobicContact CD1-CD2 4.07Å |
| 544 | Q | 98.3 | Very high | 98.3 | Very high | 146 Ų | 146 | 41.4 Ų | 41.4 | 68% | 0.682 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -59.8 | -39.7 | -178.2 | -172 | -171.3 | 21.2 | 0 | 0 | 112 | E540 Y541 K546 | E540-Q544 VanDerWaalsContact O-CB 3.31Å; E540-Q544 WeakPolarHBondContact O-CB 2.85Å; E540-Q544 PolarHBondContact O-N 3.22Å; Y541-Q544 PolarHBondContact O-N 3.16Å; Q544-K546 PolarHBondContact O-N 3.19Å |
| 545 | R | 98.4 | Very high | 98.3 | Very high | 144 Ų | 144 | 41.4 Ų | 41.4 | 54% | 0.543 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 8.3 | 178.2 | -61.9 | -60.6 | -174.7 | 173.1 | -0.4 | 113.7 | Y541 I543 Y547 | Y541-R545 HydrophobicContact CD1-CG 4.23Å; Y541-R545 HydrophobicContact CD2-CG 4.13Å; Y541-R545 HydrophobicContact CE1-CB 4.43Å; Y541-R545 HydrophobicContact CE1-CG 3.88Å; Y541-R545 HydrophobicContact CE2-CG 3.82Å; Y541-R545 HydrophobicContact CG-CG 4.34Å; Y541-R545 VanDerWaalsContact O-CB 3.32Å; Y541-R545 WeakPolarHBondContact O-CB 3.39Å; Y541-R545 VanDerWaalsContact O-CG 3.32Å; Y541-R545 WeakPolarHBondContact O-CG 3.21Å; Y541-R545 PolarHBondContact O-N 2.86Å; I543-R545 VanDerWaalsContact C-N 3.29Å; I543-R545 PolarHBondContact O-N 2.93Å; R545-Y547 HydrophobicContact CB-CD2 3.76Å; R545-Y547 HydrophobicContact CB-CE2 3.85Å; R545-Y547 PolarHBondContact O-N 3.36Å |
| 546 | K | 98.2 | Very high | 98.2 | Very high | 131 Ų | 131 | 42.2 Ų | 42.2 | 57% | 0.57 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 27.8 | 176.1 | -55.3 | -178.4 | 179.3 | 178.3 | 0 | 113.6 | L467 G469 L542 I543 Q544 T548 | L467-K546 CarbonylContact C-O 3.49Å; L467-K546 VanDerWaalsContact C-O 3.27Å; L467-K546 WeakPolarHBondContact CA-O 3.23Å; G469-K546 VanDerWaalsContact CA-O 3.28Å; G469-K546 WeakPolarHBondContact CA-O 3.24Å; G469-K546 PolarHBondContact N-O 3.5Å; L542-K546 PolarHBondContact O-N 3.17Å; I543-K546 PolarHBondContact O-N 3.06Å; Q544-K546 PolarHBondContact O-N 3.19Å; K546-T548 VanDerWaalsContact C-N 3.32Å |
| 547 | Y | 98.5 | Very high | 98.2 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 6% | 0.059 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -66.3 | -42.5 | 165.4 | -74.9 | -79.3 | 0 | 0 | 0 | 109.8 | I459 L467 N471 I503 Y541 L542 R545 | I459-Y547 HydrophobicContact CD1-CD1 4.35Å; I459-Y547 HydrophobicContact CD1-CD2 4.09Å; I459-Y547 HydrophobicContact CD1-CE1 3.9Å; I459-Y547 HydrophobicContact CD1-CE2 3.6Å; I459-Y547 HydrophobicContact CD1-CG 4.45Å; I459-Y547 VanDerWaalsContact CD1-CZ 3.48Å; I459-Y547 HydrophobicContact CG2-CD1 4.18Å; I459-Y547 HydrophobicContact CG2-CE1 3.88Å; L467-Y547 HydrophobicContact CD1-CD1 4.23Å; L467-Y547 HydrophobicContact CD1-CE1 3.82Å; L467-Y547 HydrophobicContact CD2-CD1 3.52Å; L467-Y547 HydrophobicContact CD2-CE1 3.77Å; L467-Y547 HydrophobicContact CD2-CG 4.32Å; L467-Y547 HydrophobicContact CG-CE1 4.49Å; N471-Y547 WeakPolarHBondContact CB-O 3.36Å; N471-Y547 PolarHBondContact ND2-O 3.11Å; N471-Y547 VanDerWaalsContact ND2-O 3.08Å; I503-Y547 HydrophobicContact CD1-CD1 3.82Å; I503-Y547 HydrophobicContact CG2-CD1 4.35Å; Y541-Y547 HydrophobicContact CE1-CE2 4.28Å; L542-Y547 HydrophobicContact CD2-CD2 3.94Å; L542-Y547 HydrophobicContact CD2-CG 4.03Å; L542-Y547 WeakPolarHBondContact O-CB 3.36Å; L542-Y547 PolarHBondContact O-N 3.13Å; R545-Y547 HydrophobicContact CB-CD2 3.76Å; R545-Y547 HydrophobicContact CB-CE2 3.85Å; R545-Y547 PolarHBondContact O-N 3.36Å |
| 548 | T | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | trans | -151.9 | -170.5 | -177.3 | -164.1 | 0 | 0 | 0 | 0 | 111.3 | G469 N471 C473 L542 I543 K546 N552 L553 | G469-T548 CarbonylContact O-C 3.49Å; G469-T548 WeakPolarHBondContact O-CA 3.43Å; N471-T548 WeakPolarHBondContact O-CB 3.33Å; N471-T548 PolarHBondContact O-OG1 3.49Å; C473-T548 VanDerWaalsContact CB-CB 3.47Å; C473-T548 HydrophobicContact CB-CG2 3.75Å; C473-T548 WeakPolarHBondContact CB-OG1 3.18Å; L542-T548 HydrophobicContact CB-CG2 4.14Å; L542-T548 PolarHBondContact O-N 2.85Å; I543-T548 HydrophobicContact CG1-CG2 4.29Å; K546-T548 VanDerWaalsContact C-N 3.32Å; T548-N552 WeakPolarHBondContact OG1-CB 3.25Å; T548-L553 HydrophobicContact CG2-CB 4.04Å; T548-L553 HydrophobicContact CG2-CD1 4.11Å; T548-L553 HydrophobicContact CG2-CG 4.43Å | ||
| 549 | N | 97.9 | Very high | 97.9 | Very high | 41 Ų | 41 | 44 Ų | 44 | 22% | 0.219 | 21% | 0.206 | C | C | . | . | trans | -142.1 | 167.8 | 171.2 | 66 | 47.8 | 0 | 0 | 0 | 109.1 | G469 D551 N552 L553 | G469-N549 VanDerWaalsContact O-CB 3.22Å; G469-N549 WeakPolarHBondContact O-CB 3.19Å; G469-N549 PolarHBondContact O-N 2.85Å; G469-N549 VanDerWaalsContact O-N 3.08Å; G469-N549 PolarHBondContact O-ND2 3.28Å; N549-D551 PolarHBondContact O-N 3.06Å; N549-D551 VanDerWaalsContact O-N 3.13Å; N549-D551 WeakPolarHBondContact OD1-CA 3.37Å; N549-D551 VanDerWaalsContact OD1-CB 3.31Å; N549-D551 WeakPolarHBondContact OD1-CB 3.42Å; N549-D551 PolarHBondContact OD1-N 3.28Å; N549-N552 PolarHBondContact ND2-ND2 3.5Å; N549-N552 VanDerWaalsContact ND2-ND2 3.2Å; N549-N552 CarbonylContact O-C 3.56Å; N549-N552 PolarHBondContact O-N 2.85Å; N549-N552 PolarHBondContact OD1-N 3.15Å; N549-N552 VanDerWaalsContact OD1-N 3.15Å; N549-N552 PolarHBondContact OD1-ND2 3.43Å; N549-L553 PolarHBondContact O-N 2.83Å | ||
| 550 | P | 96.2 | Very high | 97.7 | Very high | 38 Ų | 38 | 44 Ų | 44 | 25% | 0.247 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.9 | -179.4 | -29 | 35.9 | 0 | 0 | 0 | 115.7 | I543 N552 N574 L575 F576 K577 | I543-P550 HydrophobicContact CD1-CG 3.91Å; P550-N552 PolarHBondContact O-N 2.87Å; P550-N574 VanDerWaalsContact CB-O 3.26Å; P550-N574 WeakPolarHBondContact CB-O 3.38Å; P550-L575 WeakPolarHBondContact CA-O 3.1Å; P550-F576 CarbonylContact O-C 3.59Å; P550-K577 WeakPolarHBondContact O-CB 3.33Å; P550-K577 PolarHBondContact O-N 2.77Å |
| 551 | D | 94.9 | Very high | 97.7 | Very high | 84 Ų | 84 | 39.7 Ų | 39.7 | 45% | 0.449 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10 | 176.4 | -84.3 | -49.8 | 0 | 0 | 0 | 114.1 | N549 K577 | N549-D551 PolarHBondContact O-N 3.06Å; N549-D551 VanDerWaalsContact O-N 3.13Å; N549-D551 WeakPolarHBondContact OD1-CA 3.37Å; N549-D551 VanDerWaalsContact OD1-CB 3.31Å; N549-D551 WeakPolarHBondContact OD1-CB 3.42Å; N549-D551 PolarHBondContact OD1-N 3.28Å; D551-K577 VanDerWaalsContact O-CG 3.3Å; D551-K577 WeakPolarHBondContact O-CG 3.18Å; D551-K577 IonicContact OD1-NZ 3.86Å; D551-K577 PolarHBondContact OD1-NZ 2.97Å; D551-K577 VanDerWaalsContact OD1-NZ 3.15Å |
| 552 | N | 97.3 | Very high | 97.6 | Very high | 29 Ų | 29 | 38 Ų | 38 | 16% | 0.155 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -0.1 | -177.6 | -68.7 | -81 | 0 | 0 | 0 | 113.7 | N471 C473 T548 N549 P550 | N471-N552 WeakPolarHBondContact O-CB 3.45Å; C473-N552 PolarHBondContact N-O 3.27Å; T548-N552 WeakPolarHBondContact OG1-CB 3.25Å; N549-N552 PolarHBondContact ND2-ND2 3.5Å; N549-N552 VanDerWaalsContact ND2-ND2 3.2Å; N549-N552 CarbonylContact O-C 3.56Å; N549-N552 PolarHBondContact O-N 2.85Å; N549-N552 PolarHBondContact OD1-N 3.15Å; N549-N552 VanDerWaalsContact OD1-N 3.15Å; N549-N552 PolarHBondContact OD1-ND2 3.43Å; P550-N552 PolarHBondContact O-N 2.87Å |
| 553 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.6 | -179.6 | -178.4 | 57 | 0 | 0 | 0 | 111.4 | C473 L475 A539 I543 T548 N549 F576 K577 | C473-L553 HydrophobicContact CB-CD1 4.1Å; L475-L553 HydrophobicContact CB-CD1 3.94Å; A539-L553 HydrophobicContact CB-CD2 3.74Å; I543-L553 HydrophobicContact CD1-CD2 4.24Å; T548-L553 HydrophobicContact CG2-CB 4.04Å; T548-L553 HydrophobicContact CG2-CD1 4.11Å; T548-L553 HydrophobicContact CG2-CG 4.43Å; N549-L553 PolarHBondContact O-N 2.83Å; L553-F576 HydrophobicContact CD2-CD1 3.94Å; L553-F576 HydrophobicContact CD2-CE1 3.95Å; L553-F576 HydrophobicContact CG-CD1 3.99Å; L553-F576 HydrophobicContact CG-CE1 4.39Å; L553-K577 WeakPolarHBondContact O-CB 3.2Å; L553-K577 PolarHBondContact O-N 2.95Å |
| 554 | I | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.4 | 175.2 | -61.8 | 156.2 | 0 | 0 | 0 | 107.9 | C473 K474 L475 A578 I580 I700 L704 | C473-I554 PolarHBondContact O-N 3.14Å; K474-I554 CarbonylContact C-O 3.55Å; K474-I554 WeakPolarHBondContact CA-O 3.47Å; K474-I554 HydrophobicContact CG-CB 4.24Å; K474-I554 HydrophobicContact CG-CD1 4.42Å; K474-I554 HydrophobicContact CG-CG2 4.45Å; L475-I554 PolarHBondContact N-O 3.19Å; I554-A578 VanDerWaalsContact CA-O 3.31Å; I554-A578 WeakPolarHBondContact CA-O 3.36Å; I554-A578 HydrophobicContact CG1-CB 4.26Å; I554-A578 HydrophobicContact CG2-CB 4.5Å; I554-I580 HydrophobicContact CG2-CD1 3.83Å; I554-I580 HydrophobicContact CG2-CG1 3.92Å; I554-I700 HydrophobicContact CD1-CB 4.34Å; I554-I700 HydrophobicContact CD1-CD1 4.1Å; I554-I700 HydrophobicContact CD1-CG1 3.83Å; I554-I700 HydrophobicContact CD1-CG2 3.76Å; I554-L704 HydrophobicContact CD1-CD1 3.94Å; I554-L704 HydrophobicContact CD1-CG 4.38Å |
| 555 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.7 | 172 | -170.7 | 60.1 | 0 | 0 | 0 | 109.4 | L475 L535 A565 C568 F576 A578 I579 I580 | L475-L555 HydrophobicContact CB-CD1 4.09Å; L475-L555 HydrophobicContact CD2-CD1 3.98Å; L475-L555 HydrophobicContact CG-CD1 3.82Å; L475-L555 WeakPolarHBondContact O-CA 3.45Å; L475-L555 WeakPolarHBondContact O-CD1 3.37Å; L535-L555 HydrophobicContact CD1-CD1 4.08Å; L535-L555 HydrophobicContact CD2-CD1 4.12Å; L535-L555 HydrophobicContact CD2-CD2 4.46Å; L535-L555 HydrophobicContact CG-CD1 4.16Å; L555-A565 HydrophobicContact CD2-CB 3.97Å; L555-A565 WeakPolarHBondContact CD2-O 3.34Å; L555-A565 HydrophobicContact CG-CB 3.83Å; L555-C568 HydrophobicContact CD2-CB 3.64Å; L555-F576 HydrophobicContact CB-CD1 3.72Å; L555-F576 HydrophobicContact CB-CE1 3.87Å; L555-F576 HydrophobicContact CB-CG 4.27Å; L555-F576 HydrophobicContact CD1-CE1 4.32Å; L555-F576 HydrophobicContact CD2-CD1 4.31Å; L555-F576 HydrophobicContact CD2-CE1 3.79Å; L555-F576 HydrophobicContact CD2-CE2 4.05Å; L555-F576 HydrophobicContact CD2-CZ 3.66Å; L555-F576 HydrophobicContact CG-CE1 4.24Å; L555-A578 PolarHBondContact N-O 2.88Å; L555-I579 HydrophobicContact CB-CG2 4Å; L555-I579 CarbonylContact O-C 3.58Å; L555-I579 WeakPolarHBondContact O-CA 3.23Å; L555-I580 PolarHBondContact O-N 3.43Å |
| 556 | Q | 98.5 | Very high | 97.6 | Very high | 19 Ų | 19 | 22.1 Ų | 22.1 | 9% | 0.089 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136 | 179.2 | -177.8 | 174.3 | -4.6 | 0 | 0 | 111.1 | L475 S476 I580 | L475-Q556 PolarHBondContact O-N 2.91Å; S476-Q556 WeakPolarHBondContact CA-O 3.33Å; S476-Q556 PolarHBondContact OG-O 3.4Å; Q556-I580 VanDerWaalsContact CA-O 3.31Å; Q556-I580 WeakPolarHBondContact CA-O 3.44Å; Q556-I580 HydrophobicContact CB-CB 4.28Å; Q556-I580 HydrophobicContact CG-CB 4.07Å; Q556-I580 HydrophobicContact CG-CG2 4.25Å |
| 557 | G | 97.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 16 Ų | 16 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 144.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G561 I580 D582 | G557-G561 WeakPolarHBondContact CA-O 3.42Å; G557-I580 PolarHBondContact N-O 3.33Å; G557-D582 PolarHBondContact O-N 3.26Å |
| 558 | H | 95.6 | Very high | 97.6 | Very high | 79 Ų | 79 | 15.3 Ų | 15.3 | 37% | 0.366 | 8% | 0.081 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.5 | 174 | 178.5 | 51.8 | 0 | 0 | 0 | 110.2 | N560 G561 G562 D582 | H558-N560 PolarHBondContact O-N 2.85Å; H558-N560 VanDerWaalsContact O-N 3.16Å; H558-G561 WeakPolarHBondContact O-CA 3.23Å; H558-G561 PolarHBondContact O-N 2.87Å; H558-G562 PolarHBondContact O-N 3.25Å; H558-D582 CarbonylContact C-O 3.55Å; H558-D582 VanDerWaalsContact CA-O 3.24Å; H558-D582 WeakPolarHBondContact CA-O 3.27Å; H558-D582 HydrophobicContact CB-CB 4.18Å; H558-D582 IonicContact CE1-OD1 3.19Å; H558-D582 PolarHBondContact ND1-O 2.8Å; H558-D582 IonicContact ND1-OD1 3.5Å; H558-D582 IonicContact ND1-OD2 3.4Å |
| 559 | E | 95.2 | Very high | 97.5 | Very high | 20 Ų | 20 | 15.2 Ų | 15.2 | 9% | 0.093 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -114.5 | -178.1 | -62.1 | 179.7 | -179.4 | 0 | 0 | 112.1 | F478 G561 G562 L563 D582 N583 N648 V649 | F478-E559 HydrophobicContact CE2-CB 4.48Å; E559-G561 VanDerWaalsContact C-N 3.29Å; E559-G561 PolarHBondContact O-N 2.93Å; E559-G562 VanDerWaalsContact O-CA 3.31Å; E559-G562 WeakPolarHBondContact O-CA 3.35Å; E559-G562 PolarHBondContact O-N 3.21Å; E559-L563 PolarHBondContact O-N 2.55Å; E559-L563 VanDerWaalsContact O-N 3.08Å; E559-D582 PolarHBondContact N-O 2.89Å; E559-N583 VanDerWaalsContact CA-O 3.29Å; E559-N583 WeakPolarHBondContact CA-O 3.02Å; E559-N583 HydrophobicContact CG-CB 4.48Å; E559-N648 WeakPolarHBondContact OE1-CB 3.39Å; E559-N648 PolarHBondContact OE1-ND2 3.28Å; E559-V649 HydrophobicContact CB-CG2 4.1Å; E559-V649 HydrophobicContact CG-CG2 3.86Å |
| 560 | N | 96.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.4 | -35 | 173.1 | 169.2 | 64.6 | 0 | 0 | 0 | 112.6 | F478 G479 G480 F481 K528 H558 G562 L563 L564 Y604 | F478-N560 HydrophobicContact CD2-CB 4.4Å; F478-N560 HydrophobicContact CE2-CB 3.91Å; F478-N560 HydrophobicContact CZ-CB 4.12Å; F478-N560 PolarHBondContact O-ND2 2.93Å; G479-N560 PolarHBondContact O-ND2 2.87Å; G480-N560 WeakPolarHBondContact CA-ND2 3.49Å; G480-N560 PolarHBondContact N-ND2 3.42Å; F481-N560 HydrophobicContact CE2-CB 3.78Å; K528-N560 WeakPolarHBondContact CE-OD1 3.4Å; K528-N560 PolarHBondContact NZ-OD1 3.03Å; H558-N560 PolarHBondContact O-N 2.85Å; H558-N560 VanDerWaalsContact O-N 3.16Å; N560-G562 PolarHBondContact O-N 2.85Å; N560-L563 WeakPolarHBondContact O-CB 3.24Å; N560-L563 PolarHBondContact O-N 2.88Å; N560-L564 WeakPolarHBondContact O-CG 3.45Å; N560-L564 PolarHBondContact O-N 3.44Å; N560-L564 VanDerWaalsContact O-N 3.12Å; N560-Y604 WeakPolarHBondContact CB-OH 3.15Å; N560-Y604 PolarHBondContact OD1-OH 2.92Å |
| 561 | G | 97.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.4 | -32.1 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | A477 G557 H558 E559 L564 A565 | A477-G561 VanDerWaalsContact O-CA 3.3Å; A477-G561 WeakPolarHBondContact O-CA 3.39Å; G557-G561 WeakPolarHBondContact CA-O 3.42Å; H558-G561 WeakPolarHBondContact O-CA 3.23Å; H558-G561 PolarHBondContact O-N 2.87Å; E559-G561 VanDerWaalsContact C-N 3.29Å; E559-G561 PolarHBondContact O-N 2.93Å; G561-L564 PolarHBondContact O-N 3.26Å; G561-A565 WeakPolarHBondContact O-CB 3.29Å; G561-A565 PolarHBondContact O-N 2.95Å |
| 562 | G | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | H558 E559 N560 L564 A565 V566 L581 | H558-G562 PolarHBondContact O-N 3.25Å; E559-G562 VanDerWaalsContact O-CA 3.31Å; E559-G562 WeakPolarHBondContact O-CA 3.35Å; E559-G562 PolarHBondContact O-N 3.21Å; N560-G562 PolarHBondContact O-N 2.85Å; G562-L564 PolarHBondContact O-N 2.72Å; G562-A565 PolarHBondContact O-N 2.9Å; G562-V566 WeakPolarHBondContact O-CG1 3.25Å; G562-V566 PolarHBondContact O-N 2.9Å; G562-V566 VanDerWaalsContact O-N 3.08Å; G562-L581 WeakPolarHBondContact O-CD2 3.29Å |
| 563 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -53.2 | -51.8 | 170.4 | 166 | 63.8 | 0 | 0 | 0 | 111.3 | E559 N560 A565 V566 S567 L585 M588 Y604 Y619 P621 | E559-L563 PolarHBondContact O-N 2.55Å; E559-L563 VanDerWaalsContact O-N 3.08Å; N560-L563 WeakPolarHBondContact O-CB 3.24Å; N560-L563 PolarHBondContact O-N 2.88Å; L563-A565 PolarHBondContact O-N 2.83Å; L563-V566 VanDerWaalsContact O-CG1 3.31Å; L563-V566 WeakPolarHBondContact O-CG1 3.22Å; L563-S567 VanDerWaalsContact O-CB 3.31Å; L563-S567 WeakPolarHBondContact O-CB 3.28Å; L563-S567 PolarHBondContact O-N 2.78Å; L563-S567 PolarHBondContact O-OG 2.9Å; L563-L585 WeakPolarHBondContact CA-O 3.4Å; L563-L585 HydrophobicContact CB-CB 4.22Å; L563-L585 VanDerWaalsContact CB-O 3.25Å; L563-L585 WeakPolarHBondContact CB-O 3.38Å; L563-L585 WeakPolarHBondContact CD1-O 3.35Å; L563-L585 HydrophobicContact CD2-CD2 4.38Å; L563-M588 HydrophobicContact CD1-CG 3.99Å; L563-M588 HydrophobicContact CD1-SD 3.73Å; L563-M588 HydrophobicContact CD2-CE 4.25Å; L563-M588 HydrophobicContact CD2-SD 3.78Å; L563-M588 HydrophobicContact CG-SD 4.39Å; L563-Y604 HydrophobicContact CD2-CD1 4.49Å; L563-Y604 HydrophobicContact CD2-CE1 3.56Å; L563-Y619 HydrophobicContact CD1-CD2 4.05Å; L563-Y619 HydrophobicContact CD1-CE2 4.15Å; L563-Y619 HydrophobicContact CD2-CE2 4.08Å; L563-P621 VanDerWaalsContact CD1-CD 3.46Å; L563-P621 HydrophobicContact CD1-CG 3.55Å |
| 564 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | -179.2 | -65.3 | 176.3 | 0 | 0 | 0 | 111.8 | F478 I509 A531 I532 L535 N560 G561 G562 S567 C568 | F478-L564 WeakPolarHBondContact O-CD1 3.22Å; I509-L564 HydrophobicContact CD1-CD1 3.49Å; I509-L564 VanDerWaalsContact CD1-CD1 3.49Å; A531-L564 HydrophobicContact CB-CD1 4.47Å; A531-L564 HydrophobicContact CB-CD2 4.04Å; I532-L564 HydrophobicContact CG1-CD2 3.6Å; L535-L564 HydrophobicContact CD2-CB 3.99Å; N560-L564 WeakPolarHBondContact O-CG 3.45Å; N560-L564 PolarHBondContact O-N 3.44Å; N560-L564 VanDerWaalsContact O-N 3.12Å; G561-L564 PolarHBondContact O-N 3.26Å; G562-L564 PolarHBondContact O-N 2.72Å; L564-S567 PolarHBondContact O-N 3.19Å; L564-C568 WeakPolarHBondContact O-CB 3.37Å; L564-C568 PolarHBondContact O-N 3.2Å; L564-C568 PolarHBondContact O-SG 3.32Å |
| 565 | A | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.7 | -48.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L555 G561 G562 L563 C568 A569 L581 | L555-A565 HydrophobicContact CD2-CB 3.97Å; L555-A565 WeakPolarHBondContact CD2-O 3.34Å; L555-A565 HydrophobicContact CG-CB 3.83Å; G561-A565 WeakPolarHBondContact O-CB 3.29Å; G561-A565 PolarHBondContact O-N 2.95Å; G562-A565 PolarHBondContact O-N 2.9Å; L563-A565 PolarHBondContact O-N 2.83Å; A565-C568 PolarHBondContact O-N 3.23Å; A565-A569 PolarHBondContact O-N 2.97Å; A565-A569 VanDerWaalsContact O-N 3.09Å; A565-L581 HydrophobicContact CB-CD2 3.63Å |
| 566 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -70.2 | -34.1 | 178.1 | 67 | 0 | 0 | 0 | 0 | 112 | G562 L563 C568 A569 N570 I579 L581 P621 L657 | G562-V566 WeakPolarHBondContact O-CG1 3.25Å; G562-V566 PolarHBondContact O-N 2.9Å; G562-V566 VanDerWaalsContact O-N 3.08Å; L563-V566 VanDerWaalsContact O-CG1 3.31Å; L563-V566 WeakPolarHBondContact O-CG1 3.22Å; V566-C568 VanDerWaalsContact C-N 3.34Å; V566-C568 PolarHBondContact O-N 3.46Å; V566-A569 PolarHBondContact O-N 3.45Å; V566-N570 WeakPolarHBondContact O-CB 3.21Å; V566-N570 PolarHBondContact O-N 2.84Å; V566-I579 HydrophobicContact CB-CD1 4.39Å; V566-I579 HydrophobicContact CG2-CD1 4.27Å; V566-L581 HydrophobicContact CB-CD1 3.85Å; V566-L581 HydrophobicContact CB-CD2 4.13Å; V566-L581 HydrophobicContact CG2-CD1 4.16Å; V566-P621 HydrophobicContact CB-CB 4.35Å; V566-P621 HydrophobicContact CG1-CB 3.36Å; V566-P621 HydrophobicContact CG1-CG 3.22Å; V566-P621 HydrophobicContact CG2-CB 4.05Å; V566-L657 HydrophobicContact CB-CD2 4.49Å; V566-L657 HydrophobicContact CG1-CD2 4.48Å; V566-L657 HydrophobicContact CG2-CD1 4.01Å; V566-L657 HydrophobicContact CG2-CD2 4.1Å |
| 567 | S | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 175.8 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | L563 L564 N570 K571 Y619 | L563-S567 VanDerWaalsContact O-CB 3.31Å; L563-S567 WeakPolarHBondContact O-CB 3.28Å; L563-S567 PolarHBondContact O-N 2.78Å; L563-S567 PolarHBondContact O-OG 2.9Å; L564-S567 PolarHBondContact O-N 3.19Å; S567-N570 PolarHBondContact O-N 2.86Å; S567-K571 PolarHBondContact O-N 3.48Å; S567-K571 VanDerWaalsContact O-N 3.1Å; S567-Y619 PolarHBondContact OG-O 3.19Å; S567-Y619 VanDerWaalsContact OG-O 3.05Å |
| 568 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 171.9 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | L536 L555 L564 A565 V566 N570 K571 S572 F576 | L536-C568 HydrophobicContact CD2-CB 3.77Å; L536-C568 HydrophobicContact CG-CB 4.23Å; L555-C568 HydrophobicContact CD2-CB 3.64Å; L564-C568 WeakPolarHBondContact O-CB 3.37Å; L564-C568 PolarHBondContact O-N 3.2Å; L564-C568 PolarHBondContact O-SG 3.32Å; A565-C568 PolarHBondContact O-N 3.23Å; V566-C568 VanDerWaalsContact C-N 3.34Å; V566-C568 PolarHBondContact O-N 3.46Å; C568-N570 VanDerWaalsContact C-N 3.33Å; C568-N570 PolarHBondContact O-N 2.85Å; C568-K571 PolarHBondContact O-N 2.94Å; C568-S572 PolarHBondContact O-N 3.3Å; C568-F576 HydrophobicContact CB-CE2 4.08Å; C568-F576 HydrophobicContact CB-CZ 4.22Å |
| 569 | A | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.8 | -34.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A565 V566 P573 F576 I579 Y635 P636 | A565-A569 PolarHBondContact O-N 2.97Å; A565-A569 VanDerWaalsContact O-N 3.09Å; V566-A569 PolarHBondContact O-N 3.45Å; A569-P573 WeakPolarHBondContact O-CA 3.1Å; A569-P573 WeakPolarHBondContact O-CB 3.43Å; A569-P573 VanDerWaalsContact O-CD 3.26Å; A569-P573 WeakPolarHBondContact O-CD 3.29Å; A569-P573 VanDerWaalsContact O-N 3.12Å; A569-F576 HydrophobicContact CB-CD2 4.43Å; A569-I579 HydrophobicContact CB-CD1 3.77Å; A569-I579 HydrophobicContact CB-CG2 3.76Å; A569-Y635 HydrophobicContact CB-CE2 4.41Å; A569-Y635 WeakPolarHBondContact CB-OH 3.45Å; A569-Y635 WeakPolarHBondContact O-CE2 3.39Å; A569-P636 HydrophobicContact CB-CG 3.92Å |
| 570 | N | 96 | Very high | 96.8 | Very high | 10 Ų | 10 | 13.6 Ų | 13.6 | 5% | 0.053 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 172.2 | -81.7 | -7.1 | 0 | 0 | 0 | 112 | V566 S567 C568 P621 N624 Y635 | V566-N570 WeakPolarHBondContact O-CB 3.21Å; V566-N570 PolarHBondContact O-N 2.84Å; S567-N570 PolarHBondContact O-N 2.86Å; C568-N570 VanDerWaalsContact C-N 3.33Å; C568-N570 PolarHBondContact O-N 2.85Å; N570-P621 PolarHBondContact ND2-O 2.86Å; N570-N624 HydrophobicContact CB-CB 4.49Å; N570-N624 WeakPolarHBondContact CB-O 3.47Å; N570-N624 VanDerWaalsContact CG-O 3.24Å; N570-N624 PolarHBondContact ND2-O 2.89Å; N570-Y635 PolarHBondContact OD1-OH 2.73Å |
| 571 | K | 94.7 | Very high | 96.9 | Very high | 93 Ų | 93 | 13.6 Ų | 13.6 | 40% | 0.404 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -72 | -45.7 | 179.6 | -74.9 | -171.8 | 178.2 | -179.8 | 0 | 113.3 | I532 D533 L536 S567 C568 | I532-K571 HydrophobicContact CG2-CD 3.83Å; D533-K571 IonicContact OD1-NZ 2.75Å; D533-K571 PolarHBondContact OD1-NZ 3.25Å; D533-K571 VanDerWaalsContact OD1-NZ 3.09Å; L536-K571 HydrophobicContact CD1-CB 4.33Å; L536-K571 HydrophobicContact CD1-CD 4.18Å; S567-K571 PolarHBondContact O-N 3.48Å; S567-K571 VanDerWaalsContact O-N 3.1Å; C568-K571 PolarHBondContact O-N 2.94Å |
| 572 | S | 94.6 | Very high | 96.8 | Very high | 31 Ų | 31 | 14.2 Ų | 14.2 | 22% | 0.217 | 7% | 0.073 | C | C | . | . | trans | -136.3 | 66.2 | -171.7 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | C568 N574 L575 | C568-S572 PolarHBondContact O-N 3.3Å; S572-N574 PolarHBondContact O-N 2.95Å; S572-L575 PolarHBondContact O-N 3.09Å | ||
| 573 | P | 93 | Very high | 96.7 | Very high | 7 Ų | 7 | 14.6 Ų | 14.6 | 5% | 0.045 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -62.7 | -29.3 | -173.2 | 23.1 | -33.1 | 0 | 0 | 0 | 113.4 | A569 L575 F576 Y634 Y635 | A569-P573 WeakPolarHBondContact O-CA 3.1Å; A569-P573 WeakPolarHBondContact O-CB 3.43Å; A569-P573 VanDerWaalsContact O-CD 3.26Å; A569-P573 WeakPolarHBondContact O-CD 3.29Å; A569-P573 VanDerWaalsContact O-N 3.12Å; P573-L575 PolarHBondContact O-N 2.9Å; P573-F576 PolarHBondContact O-N 2.97Å; P573-Y634 WeakPolarHBondContact CB-O 3.48Å; P573-Y635 HydrophobicContact CB-CD2 3.9Å; P573-Y635 HydrophobicContact CB-CE2 4.35Å |
| 574 | N | 92.3 | Very high | 96.6 | Very high | 84 Ų | 84 | 14.6 Ų | 14.6 | 45% | 0.449 | 8% | 0.075 | S | C | . | . | G | 310 helix | trans | -70.2 | -9.8 | -179.1 | 65 | -39.7 | 0 | 0 | 0 | 114.5 | P550 S572 F576 | P550-N574 VanDerWaalsContact CB-O 3.26Å; P550-N574 WeakPolarHBondContact CB-O 3.38Å; S572-N574 PolarHBondContact O-N 2.95Å; N574-F576 VanDerWaalsContact C-N 3.34Å |
| 575 | L | 95.7 | Very high | 96.5 | Very high | 19 Ų | 19 | 14.6 Ų | 14.6 | 10% | 0.099 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -79.7 | -18.1 | 176.1 | -69.5 | 179.2 | 0 | 0 | 0 | 113 | L536 I543 P550 S572 P573 | L536-L575 HydrophobicContact CD2-CD1 3.86Å; I543-L575 HydrophobicContact CD1-CD2 4.07Å; P550-L575 WeakPolarHBondContact CA-O 3.1Å; S572-L575 PolarHBondContact O-N 3.09Å; P573-L575 PolarHBondContact O-N 2.9Å |
| 576 | F | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -122.6 | 138.7 | -168.7 | -50 | -69.8 | 0 | 0 | 0 | 111.1 | L536 A539 P550 L553 L555 C568 A569 P573 N574 I579 P636 | L536-F576 HydrophobicContact CD2-CE2 4.23Å; L536-F576 HydrophobicContact CD2-CZ 4.18Å; A539-F576 HydrophobicContact CB-CE1 3.82Å; A539-F576 HydrophobicContact CB-CZ 4.09Å; P550-F576 CarbonylContact O-C 3.59Å; L553-F576 HydrophobicContact CD2-CD1 3.94Å; L553-F576 HydrophobicContact CD2-CE1 3.95Å; L553-F576 HydrophobicContact CG-CD1 3.99Å; L553-F576 HydrophobicContact CG-CE1 4.39Å; L555-F576 HydrophobicContact CB-CD1 3.72Å; L555-F576 HydrophobicContact CB-CE1 3.87Å; L555-F576 HydrophobicContact CB-CG 4.27Å; L555-F576 HydrophobicContact CD1-CE1 4.32Å; L555-F576 HydrophobicContact CD2-CD1 4.31Å; L555-F576 HydrophobicContact CD2-CE1 3.79Å; L555-F576 HydrophobicContact CD2-CE2 4.05Å; L555-F576 HydrophobicContact CD2-CZ 3.66Å; L555-F576 HydrophobicContact CG-CE1 4.24Å; C568-F576 HydrophobicContact CB-CE2 4.08Å; C568-F576 HydrophobicContact CB-CZ 4.22Å; A569-F576 HydrophobicContact CB-CD2 4.43Å; P573-F576 PolarHBondContact O-N 2.97Å; N574-F576 VanDerWaalsContact C-N 3.34Å; F576-I579 HydrophobicContact CB-CG2 4.4Å; F576-P636 HydrophobicContact CB-CB 4.11Å; F576-P636 HydrophobicContact CB-CG 4.37Å | ||
| 577 | K | 96.1 | Very high | 96.2 | Very high | 36 Ų | 36 | 14.6 Ų | 14.6 | 16% | 0.157 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -77.4 | -41 | 168 | -173.4 | 56.1 | 160.7 | -164 | 0 | 111 | P550 D551 L553 A637 I703 L704 | P550-K577 WeakPolarHBondContact O-CB 3.33Å; P550-K577 PolarHBondContact O-N 2.77Å; D551-K577 VanDerWaalsContact O-CG 3.3Å; D551-K577 WeakPolarHBondContact O-CG 3.18Å; D551-K577 IonicContact OD1-NZ 3.86Å; D551-K577 PolarHBondContact OD1-NZ 2.97Å; D551-K577 VanDerWaalsContact OD1-NZ 3.15Å; L553-K577 WeakPolarHBondContact O-CB 3.2Å; L553-K577 PolarHBondContact O-N 2.95Å; K577-A637 PolarHBondContact O-N 3.09Å; K577-I703 HydrophobicContact CD-CG2 4.5Å; K577-I703 HydrophobicContact CG-CG2 3.8Å; K577-L704 HydrophobicContact CB-CD2 4.36Å; K577-L704 HydrophobicContact CG-CD2 3.84Å |
| 578 | A | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 157 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | I554 L555 A637 F699 I703 | I554-A578 VanDerWaalsContact CA-O 3.31Å; I554-A578 WeakPolarHBondContact CA-O 3.36Å; I554-A578 HydrophobicContact CG1-CB 4.26Å; I554-A578 HydrophobicContact CG2-CB 4.5Å; L555-A578 PolarHBondContact N-O 2.88Å; A578-A637 CarbonylContact C-O 3.46Å; A578-A637 WeakPolarHBondContact CA-O 3.24Å; A578-A637 HydrophobicContact CB-CB 4.12Å; A578-A637 WeakPolarHBondContact CB-O 3.4Å; A578-F699 HydrophobicContact CB-CE1 3.9Å; A578-F699 HydrophobicContact CB-CZ 4.25Å; A578-I703 HydrophobicContact CB-CG2 4.14Å |
| 579 | I | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.4 | 165.2 | 66.7 | 179.6 | 0 | 0 | 0 | 110.8 | L555 V566 A569 F576 L581 Y635 P636 A637 V638 L639 | L555-I579 HydrophobicContact CB-CG2 4Å; L555-I579 CarbonylContact O-C 3.58Å; L555-I579 WeakPolarHBondContact O-CA 3.23Å; V566-I579 HydrophobicContact CB-CD1 4.39Å; V566-I579 HydrophobicContact CG2-CD1 4.27Å; A569-I579 HydrophobicContact CB-CD1 3.77Å; A569-I579 HydrophobicContact CB-CG2 3.76Å; F576-I579 HydrophobicContact CB-CG2 4.4Å; I579-L581 HydrophobicContact CD1-CD1 3.94Å; I579-L581 HydrophobicContact CD1-CD2 4.39Å; I579-L581 HydrophobicContact CD1-CG 4.33Å; I579-L581 HydrophobicContact CG1-CD1 4.36Å; I579-L581 HydrophobicContact CG1-CG 4.32Å; I579-Y635 HydrophobicContact CD1-CE1 4.3Å; I579-P636 HydrophobicContact CG2-CB 4.37Å; I579-P636 HydrophobicContact CG2-CG 4.03Å; I579-A637 PolarHBondContact N-O 2.81Å; I579-V638 HydrophobicContact CD1-CG1 4.27Å; I579-V638 HydrophobicContact CD1-CG2 3.88Å; I579-V638 HydrophobicContact CG1-CB 4.16Å; I579-V638 HydrophobicContact CG1-CG1 4Å; I579-V638 HydrophobicContact CG1-CG2 3.71Å; I579-V638 WeakPolarHBondContact O-CA 3.46Å; I579-L639 PolarHBondContact O-N 2.99Å |
| 580 | I | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 117.4 | -180 | -55.8 | -175.8 | 0 | 0 | 0 | 107.9 | I554 L555 Q556 G557 L639 L641 I696 F699 I700 | I554-I580 HydrophobicContact CG2-CD1 3.83Å; I554-I580 HydrophobicContact CG2-CG1 3.92Å; L555-I580 PolarHBondContact O-N 3.43Å; Q556-I580 VanDerWaalsContact CA-O 3.31Å; Q556-I580 WeakPolarHBondContact CA-O 3.44Å; Q556-I580 HydrophobicContact CB-CB 4.28Å; Q556-I580 HydrophobicContact CG-CB 4.07Å; Q556-I580 HydrophobicContact CG-CG2 4.25Å; G557-I580 PolarHBondContact N-O 3.33Å; I580-L639 WeakPolarHBondContact CA-O 3.1Å; I580-L639 HydrophobicContact CG2-CD2 4.44Å; I580-L641 HydrophobicContact CG2-CD1 3.57Å; I580-I696 HydrophobicContact CD1-CG2 3.87Å; I580-I696 HydrophobicContact CG2-CD1 4.23Å; I580-I696 HydrophobicContact CG2-CG1 4.05Å; I580-F699 HydrophobicContact CD1-CD1 4.02Å; I580-F699 HydrophobicContact CD1-CE1 4.27Å; I580-F699 HydrophobicContact CG1-CD1 4.21Å; I580-F699 HydrophobicContact CG1-CE1 4.01Å; I580-I700 HydrophobicContact CD1-CD1 3.86Å; I580-I700 HydrophobicContact CD1-CG1 3.76Å |
| 581 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 112 | -167.3 | -54.8 | 175.6 | 0 | 0 | 0 | 109.1 | G562 A565 V566 I579 P584 V638 L639 I640 L641 L657 | G562-L581 WeakPolarHBondContact O-CD2 3.29Å; A565-L581 HydrophobicContact CB-CD2 3.63Å; V566-L581 HydrophobicContact CB-CD1 3.85Å; V566-L581 HydrophobicContact CB-CD2 4.13Å; V566-L581 HydrophobicContact CG2-CD1 4.16Å; I579-L581 HydrophobicContact CD1-CD1 3.94Å; I579-L581 HydrophobicContact CD1-CD2 4.39Å; I579-L581 HydrophobicContact CD1-CG 4.33Å; I579-L581 HydrophobicContact CG1-CD1 4.36Å; I579-L581 HydrophobicContact CG1-CG 4.32Å; L581-P584 HydrophobicContact CB-CB 4.02Å; L581-P584 HydrophobicContact CB-CG 3.81Å; L581-V638 HydrophobicContact CD1-CG1 4.21Å; L581-L639 PolarHBondContact N-O 2.81Å; L581-I640 HydrophobicContact CB-CG1 4.3Å; L581-I640 HydrophobicContact CD1-CG1 3.96Å; L581-I640 CarbonylContact O-C 3.57Å; L581-I640 WeakPolarHBondContact O-CA 3.34Å; L581-L641 PolarHBondContact O-N 3.03Å; L581-L657 HydrophobicContact CD1-CD2 3.74Å |
| 582 | D | 96 | Very high | 95.2 | Very high | 14 Ų | 14 | 12.4 Ų | 12.4 | 8% | 0.075 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 109 | -178.8 | -171.5 | -12 | 0 | 0 | 0 | 110.4 | G557 H558 E559 K692 | G557-D582 PolarHBondContact O-N 3.26Å; H558-D582 CarbonylContact C-O 3.55Å; H558-D582 VanDerWaalsContact CA-O 3.24Å; H558-D582 WeakPolarHBondContact CA-O 3.27Å; H558-D582 HydrophobicContact CB-CB 4.18Å; H558-D582 IonicContact CE1-OD1 3.19Å; H558-D582 PolarHBondContact ND1-O 2.8Å; H558-D582 IonicContact ND1-OD1 3.5Å; H558-D582 IonicContact ND1-OD2 3.4Å; E559-D582 PolarHBondContact N-O 2.89Å; D582-K692 IonicContact OD1-NZ 3.65Å; D582-K692 PolarHBondContact OD1-NZ 2.83Å; D582-K692 WeakPolarHBondContact OD2-CE 3.31Å; D582-K692 IonicContact OD2-NZ 2.55Å; D582-K692 PolarHBondContact OD2-NZ 2.97Å |
| 583 | N | 95.2 | Very high | 94.8 | Very high | 8 Ų | 8 | 15.1 Ų | 15.1 | 4% | 0.043 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 48.5 | 52.7 | -171.2 | -61.2 | -64 | 0 | 0 | 0 | 112.9 | E559 L641 S642 D643 V649 | E559-N583 VanDerWaalsContact CA-O 3.29Å; E559-N583 WeakPolarHBondContact CA-O 3.02Å; E559-N583 HydrophobicContact CG-CB 4.48Å; N583-L641 PolarHBondContact N-O 3.36Å; N583-S642 VanDerWaalsContact OD1-CA 3.23Å; N583-S642 WeakPolarHBondContact OD1-CA 3.38Å; N583-S642 PolarHBondContact OD1-OG 3.01Å; N583-D643 PolarHBondContact OD1-N 3.41Å; N583-V649 HydrophobicContact CB-CB 4.45Å |
| 584 | P | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -66.1 | 138.7 | -175.7 | 29.2 | -36.8 | 0 | 0 | 0 | 112.4 | L581 I640 H653 L657 | L581-P584 HydrophobicContact CB-CB 4.02Å; L581-P584 HydrophobicContact CB-CG 3.81Å; P584-I640 HydrophobicContact CG-CG2 4.16Å; P584-H653 VanDerWaalsContact O-CB 3.22Å; P584-H653 WeakPolarHBondContact O-CB 3.22Å; P584-L657 HydrophobicContact CB-CD2 4.49Å; P584-L657 HydrophobicContact CG-CD2 4.09Å | ||
| 585 | L | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -78.5 | 121.5 | 162.7 | -172.3 | 70.3 | 0 | 0 | 0 | 109.2 | L563 M588 T597 W600 Y604 V649 H653 | L563-L585 WeakPolarHBondContact CA-O 3.4Å; L563-L585 HydrophobicContact CB-CB 4.22Å; L563-L585 VanDerWaalsContact CB-O 3.25Å; L563-L585 WeakPolarHBondContact CB-O 3.38Å; L563-L585 WeakPolarHBondContact CD1-O 3.35Å; L563-L585 HydrophobicContact CD2-CD2 4.38Å; L585-M588 HydrophobicContact CD2-CE 3.85Å; L585-M588 HydrophobicContact CD2-SD 3.57Å; L585-M588 VanDerWaalsContact CD2-SD 3.57Å; L585-M588 HydrophobicContact CG-SD 3.75Å; L585-T597 HydrophobicContact CD1-CG2 3.84Å; L585-W600 HydrophobicContact CD2-CE3 4.18Å; L585-W600 HydrophobicContact CD2-CZ3 4.19Å; L585-Y604 HydrophobicContact CD2-CD2 4.39Å; L585-Y604 HydrophobicContact CD2-CE1 4.4Å; L585-Y604 HydrophobicContact CD2-CE2 3.68Å; L585-V649 HydrophobicContact CD1-CG1 4.28Å; L585-H653 VanDerWaalsContact CD1-CE1 3.5Å; L585-H653 WeakPolarHBondContact CD1-CE1 2.97Å; L585-H653 VanDerWaalsContact CD1-NE2 3.34Å; L585-H653 WeakPolarHBondContact CD1-NE2 2.94Å | ||
| 586 | S | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -132.8 | -18.1 | -166.1 | 70.6 | 0 | 0 | 0 | 0 | 116.1 | S620 P621 I622 H653 | S586-S620 PolarHBondContact O-OG 2.89Å; S586-P621 WeakPolarHBondContact O-CD 3.4Å; S586-I622 PolarHBondContact O-N 3.05Å; S586-I622 VanDerWaalsContact O-N 3.15Å; S586-H653 PolarHBondContact N-ND1 2.92Å; S586-H653 VanDerWaalsContact OG-CA 3.29Å; S586-H653 WeakPolarHBondContact OG-CA 3.24Å; S586-H653 WeakPolarHBondContact OG-CB 3.46Å; S586-H653 PolarHBondContact OG-O 3.11Å | ||
| 587 | D | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -116.6 | 86 | -179 | -174.2 | -11.9 | 0 | 0 | 0 | 107.8 | L589 H590 Y591 I622 H623 H653 K656 | D587-L589 PolarHBondContact O-N 2.82Å; D587-L589 PolarHBondContact OD1-N 3.39Å; D587-H590 PolarHBondContact O-N 3.24Å; D587-H590 PolarHBondContact OD1-N 3.39Å; D587-H590 VanDerWaalsContact OD1-N 3.14Å; D587-H590 IonicContact OD2-CG 3.9Å; D587-H590 IonicContact OD2-ND1 3.69Å; D587-H590 PolarHBondContact OD2-ND1 2.91Å; D587-Y591 PolarHBondContact O-N 2.9Å; D587-I622 HydrophobicContact CB-CD1 3.68Å; D587-I622 HydrophobicContact CB-CG1 4.37Å; D587-I622 VanDerWaalsContact CG-CD1 3.43Å; D587-H623 IonicContact OD1-CE1 2.73Å; D587-H653 WeakPolarHBondContact CB-ND1 3.48Å; D587-H653 PolarHBondContact N-ND1 2.85Å; D587-H653 VanDerWaalsContact N-ND1 3.14Å; D587-H653 PolarHBondContact O-CE1 2.86Å; D587-K656 HydrophobicContact CB-CD 4.49Å; D587-K656 WeakPolarHBondContact OD2-CD 3.45Å; D587-K656 IonicContact OD2-NZ 2.88Å; D587-K656 PolarHBondContact OD2-NZ 2.71Å | ||
| 588 | M | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -5.4 | -176 | -59.4 | -54.8 | -54 | 0 | 0 | 112.5 | L563 L585 Y591 Y604 L616 Y619 S620 | L563-M588 HydrophobicContact CD1-CG 3.99Å; L563-M588 HydrophobicContact CD1-SD 3.73Å; L563-M588 HydrophobicContact CD2-CE 4.25Å; L563-M588 HydrophobicContact CD2-SD 3.78Å; L563-M588 HydrophobicContact CG-SD 4.39Å; L585-M588 HydrophobicContact CD2-CE 3.85Å; L585-M588 HydrophobicContact CD2-SD 3.57Å; L585-M588 VanDerWaalsContact CD2-SD 3.57Å; L585-M588 HydrophobicContact CG-SD 3.75Å; M588-Y591 HydrophobicContact CE-CD1 4.2Å; M588-Y591 HydrophobicContact CE-CG 4.36Å; M588-Y591 VanDerWaalsContact O-CD1 3.31Å; M588-Y591 WeakPolarHBondContact O-CD1 3.26Å; M588-Y604 HydrophobicContact CE-CD1 3.52Å; M588-Y604 HydrophobicContact CE-CD2 4.16Å; M588-Y604 HydrophobicContact CE-CE1 3.87Å; M588-Y604 HydrophobicContact CE-CG 3.66Å; M588-L616 HydrophobicContact CB-CB 4.1Å; M588-L616 HydrophobicContact CB-CD2 3.86Å; M588-L616 HydrophobicContact CE-CD2 3.55Å; M588-L616 HydrophobicContact CG-CD2 4.5Å; M588-Y619 HydrophobicContact CE-CE2 4.11Å; M588-Y619 HydrophobicContact CG-CD2 4.22Å; M588-Y619 HydrophobicContact CG-CE2 3.75Å; M588-Y619 HydrophobicContact SD-CE2 4.24Å; M588-S620 PolarHBondContact N-OG 2.88Å |
| 589 | L | 94.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -19.8 | 173.7 | -57.1 | -173.1 | 0 | 0 | 0 | 111.9 | F22 I27 D587 Y592 L607 F613 L616 L617 H623 | F22-L589 HydrophobicContact CE2-CD1 4.42Å; I27-L589 HydrophobicContact CB-CD1 4.29Å; I27-L589 HydrophobicContact CG1-CD1 4.13Å; I27-L589 HydrophobicContact CG2-CD1 3.74Å; D587-L589 PolarHBondContact O-N 2.82Å; D587-L589 PolarHBondContact OD1-N 3.39Å; L589-Y592 VanDerWaalsContact O-CE1 3.25Å; L589-Y592 WeakPolarHBondContact O-CE1 3.27Å; L589-L607 HydrophobicContact CD2-CD1 3.82Å; L589-L607 VanDerWaalsContact O-CD2 3.26Å; L589-L607 WeakPolarHBondContact O-CD2 3.32Å; L589-F613 HydrophobicContact CD1-CE2 4.3Å; L589-F613 HydrophobicContact CD2-CD2 3.9Å; L589-F613 HydrophobicContact CD2-CE2 3.97Å; L589-L616 HydrophobicContact CD2-CB 4.31Å; L589-L617 HydrophobicContact CD1-CD1 4.18Å; L589-L617 HydrophobicContact CD2-CB 4.45Å; L589-H623 VanDerWaalsContact CD1-CE1 3.48Å; L589-H623 WeakPolarHBondContact CD1-CE1 3.05Å |
| 590 | H | 92 | Very high | 90 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.028 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 6.6 | 173.7 | -63.7 | 147.5 | 0 | 0 | 0 | 115.3 | E20 D29 R32 E35 D587 Y592 K593 K656 | E20-H590 VanDerWaalsContact CD-NE2 3.3Å; E20-H590 IonicContact OE1-CE1 3.59Å; E20-H590 IonicContact OE1-NE2 3.61Å; E20-H590 PolarHBondContact OE1-NE2 2.85Å; E20-H590 IonicContact OE2-CD2 2.84Å; E20-H590 IonicContact OE2-CE1 3.74Å; E20-H590 IonicContact OE2-NE2 3.83Å; E20-H590 PolarHBondContact OE2-NE2 2.87Å; D29-H590 IonicContact OD2-CE1 3.25Å; D29-H590 IonicContact OD2-ND1 3.83Å; R32-H590 VanDerWaalsContact CZ-ND1 3.27Å; R32-H590 PolarHBondContact NH1-CE1 3.41Å; R32-H590 VanDerWaalsContact NH1-CE1 3.31Å; R32-H590 PolarHBondContact NH1-ND1 2.87Å; R32-H590 PolarHBondContact NH2-CE1 3.5Å; R32-H590 PolarHBondContact NH2-ND1 3.06Å; R32-H590 PolarHBondContact NH2-NE2 2.94Å; E35-H590 IonicContact OE1-ND1 3.58Å; D587-H590 PolarHBondContact O-N 3.24Å; D587-H590 PolarHBondContact OD1-N 3.39Å; D587-H590 VanDerWaalsContact OD1-N 3.14Å; D587-H590 IonicContact OD2-CG 3.9Å; D587-H590 IonicContact OD2-ND1 3.69Å; D587-H590 PolarHBondContact OD2-ND1 2.91Å; H590-Y592 PolarHBondContact O-N 2.68Å; H590-K593 HydrophobicContact CB-CD 4.19Å; H590-K593 HydrophobicContact CB-CG 4.28Å; H590-K593 VanDerWaalsContact CD2-CE 3.46Å; H590-K593 WeakPolarHBondContact CD2-CE 3.28Å; H590-K593 WeakPolarHBondContact O-CB 3.28Å; H590-K593 PolarHBondContact O-N 3.48Å; H590-K656 PolarHBondContact ND1-NZ 3.21Å |
| 591 | Y | 91.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -52 | -34.3 | 179.2 | 87.9 | -86.6 | 0 | 0 | 0 | 112.7 | D587 M588 K593 T597 M601 Y604 G605 L616 | D587-Y591 PolarHBondContact O-N 2.9Å; M588-Y591 HydrophobicContact CE-CD1 4.2Å; M588-Y591 HydrophobicContact CE-CG 4.36Å; M588-Y591 VanDerWaalsContact O-CD1 3.31Å; M588-Y591 WeakPolarHBondContact O-CD1 3.26Å; Y591-K593 VanDerWaalsContact C-N 3.28Å; Y591-K593 PolarHBondContact O-N 2.86Å; Y591-T597 WeakPolarHBondContact CD2-O 3.46Å; Y591-T597 CarbonylContact O-C 3.42Å; Y591-T597 VanDerWaalsContact O-CB 3.24Å; Y591-T597 WeakPolarHBondContact O-CB 3.45Å; Y591-T597 PolarHBondContact O-OG1 2.85Å; Y591-M601 WeakPolarHBondContact OH-CA 3.16Å; Y591-Y604 HydrophobicContact CD2-CD2 4.32Å; Y591-Y604 HydrophobicContact CE2-CD2 4.09Å; Y591-G605 PolarHBondContact OH-O 2.86Å; Y591-L616 HydrophobicContact CE1-CD1 4.12Å; Y591-L616 HydrophobicContact CE1-CD2 4.47Å |
| 592 | Y | 87.7 | Confident | 89.2 | Confident | 53 Ų | 53 | 35.8 Ų | 35.8 | 21% | 0.208 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -76.2 | -10.2 | -179 | 73.9 | -85.2 | 0 | 0 | 0 | 114.4 | L589 H590 Y594 S598 L607 | L589-Y592 VanDerWaalsContact O-CE1 3.25Å; L589-Y592 WeakPolarHBondContact O-CE1 3.27Å; H590-Y592 PolarHBondContact O-N 2.68Å; Y592-Y594 VanDerWaalsContact C-N 3.26Å; Y592-Y594 PolarHBondContact O-N 2.83Å; Y592-S598 WeakPolarHBondContact O-CB 3.29Å; Y592-L607 HydrophobicContact CD1-CB 4.45Å; Y592-L607 HydrophobicContact CD1-CD2 4.27Å; Y592-L607 HydrophobicContact CE1-CB 4.32Å; Y592-L607 HydrophobicContact CE1-CD2 3.54Å |
| 593 | K | 86.6 | Confident | 89.2 | Confident | 88 Ų | 88 | 35.3 Ų | 35.3 | 38% | 0.383 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -75.3 | -16.7 | -178.1 | -70.3 | -164.7 | -179.3 | 178.9 | 0 | 112.9 | E20 H590 Y591 | E20-K593 IonicContact OE1-NZ 3.85Å; E20-K593 PolarHBondContact OE1-NZ 2.95Å; E20-K593 IonicContact OE2-NZ 3.47Å; H590-K593 HydrophobicContact CB-CD 4.19Å; H590-K593 HydrophobicContact CB-CG 4.28Å; H590-K593 VanDerWaalsContact CD2-CE 3.46Å; H590-K593 WeakPolarHBondContact CD2-CE 3.28Å; H590-K593 WeakPolarHBondContact O-CB 3.28Å; H590-K593 PolarHBondContact O-N 3.48Å; Y591-K593 VanDerWaalsContact C-N 3.28Å; Y591-K593 PolarHBondContact O-N 2.86Å |
| 594 | Y | 82.3 | Confident | 89.2 | Confident | 34 Ų | 34 | 35 Ų | 35 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -109.8 | 143 | -176.5 | -40.7 | -74.8 | 0 | 0 | 0 | 111.2 | E35 Y592 S596 T597 S598 E650 I652 H653 | E35-Y594 PolarHBondContact OE1-OH 3.06Å; Y592-Y594 VanDerWaalsContact C-N 3.26Å; Y592-Y594 PolarHBondContact O-N 2.83Å; Y594-S596 VanDerWaalsContact C-N 3.29Å; Y594-S596 PolarHBondContact O-N 3.43Å; Y594-T597 PolarHBondContact O-N 3.48Å; Y594-T597 PolarHBondContact O-OG1 2.84Å; Y594-S598 VanDerWaalsContact O-CB 3.22Å; Y594-S598 WeakPolarHBondContact O-CB 3.31Å; Y594-S598 PolarHBondContact O-N 3.4Å; Y594-S598 PolarHBondContact O-OG 2.8Å; Y594-E650 WeakPolarHBondContact CB-OE1 3.5Å; Y594-E650 VanDerWaalsContact CB-OE2 3.23Å; Y594-E650 WeakPolarHBondContact CB-OE2 3.48Å; Y594-E650 HydrophobicContact CD1-CG 4.31Å; Y594-E650 HydrophobicContact CG-CB 4.32Å; Y594-E650 HydrophobicContact CG-CG 3.97Å; Y594-I652 HydrophobicContact CD1-CG2 4.35Å; Y594-I652 HydrophobicContact CD2-CG2 4.18Å; Y594-I652 HydrophobicContact CE1-CG2 3.78Å; Y594-I652 HydrophobicContact CE2-CG2 3.57Å; Y594-I652 WeakPolarHBondContact OH-CG1 3.35Å; Y594-H653 AromaticContact CD2-NE2 3.64Å; Y594-H653 AromaticContact CE2-NE2 3.6Å |
| 595 | S | 72.9 | Confident | 89.1 | Confident | 105 Ų | 105 | 35.1 Ų | 35.1 | 73% | 0.734 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62.6 | -33.8 | -169.5 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | S598 | S595-S598 PolarHBondContact O-OG 3.44Å |
| 596 | S | 74.9 | Confident | 88.9 | Confident | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.063 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.3 | -25.9 | -177.6 | 72.3 | 0 | 0 | 0 | 0 | 113.9 | Y594 R599 A647 N648 E650 | Y594-S596 VanDerWaalsContact C-N 3.29Å; Y594-S596 PolarHBondContact O-N 3.43Å; S596-R599 WeakPolarHBondContact O-CD 3.26Å; S596-R599 VanDerWaalsContact O-CG 3.26Å; S596-R599 WeakPolarHBondContact O-CG 3.17Å; S596-R599 PolarHBondContact O-NE 2.79Å; S596-A647 WeakPolarHBondContact CB-O 3.32Å; S596-N648 WeakPolarHBondContact CB-O 3.47Å; S596-N648 VanDerWaalsContact OG-C 3.3Å; S596-N648 PolarHBondContact OG-O 2.82Å; S596-N648 VanDerWaalsContact OG-O 3.09Å; S596-E650 VanDerWaalsContact CB-OE1 3.25Å; S596-E650 WeakPolarHBondContact CB-OE1 3.39Å; S596-E650 PolarHBondContact N-OE1 2.61Å; S596-E650 PolarHBondContact OG-OE1 3.44Å; S596-E650 PolarHBondContact OG-OE2 3.31Å |
| 597 | T | 81 | Confident | 88.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -104.9 | -21.4 | -174.6 | 40.4 | 0 | 0 | 0 | 0 | 112.3 | L585 Y591 Y594 R599 W600 V649 E650 | L585-T597 HydrophobicContact CD1-CG2 3.84Å; Y591-T597 WeakPolarHBondContact CD2-O 3.46Å; Y591-T597 CarbonylContact O-C 3.42Å; Y591-T597 VanDerWaalsContact O-CB 3.24Å; Y591-T597 WeakPolarHBondContact O-CB 3.45Å; Y591-T597 PolarHBondContact O-OG1 2.85Å; Y594-T597 PolarHBondContact O-N 3.48Å; Y594-T597 PolarHBondContact O-OG1 2.84Å; T597-R599 VanDerWaalsContact C-N 3.3Å; T597-R599 PolarHBondContact O-N 3.28Å; T597-W600 HydrophobicContact CG2-CE3 3.85Å; T597-W600 HydrophobicContact CG2-CH2 4.41Å; T597-W600 HydrophobicContact CG2-CZ3 3.77Å; T597-W600 VanDerWaalsContact O-CB 3.29Å; T597-W600 WeakPolarHBondContact O-CB 3.46Å; T597-W600 PolarHBondContact O-N 2.92Å; T597-V649 HydrophobicContact CG2-CG1 4.38Å; T597-V649 HydrophobicContact CG2-CG2 4.38Å; T597-E650 WeakPolarHBondContact CG2-OE2 3.33Å; T597-E650 PolarHBondContact OG1-OE2 3.05Å |
| 598 | S | 83 | Confident | 88.3 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62 | -33 | 173.5 | 68.9 | 0 | 0 | 0 | 0 | 113.8 | Y592 Y594 S595 W600 M601 | Y592-S598 WeakPolarHBondContact O-CB 3.29Å; Y594-S598 VanDerWaalsContact O-CB 3.22Å; Y594-S598 WeakPolarHBondContact O-CB 3.31Å; Y594-S598 PolarHBondContact O-N 3.4Å; Y594-S598 PolarHBondContact O-OG 2.8Å; S595-S598 PolarHBondContact O-OG 3.44Å; S598-W600 PolarHBondContact O-N 2.59Å; S598-W600 VanDerWaalsContact O-N 3.08Å; S598-M601 PolarHBondContact O-N 3.43Å |
| 599 | R | 85.9 | Confident | 88.3 | Confident | 150 Ų | 150 | 52.6 Ų | 52.6 | 57% | 0.566 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -10.8 | 173.3 | 69.7 | -176.6 | 178.5 | 124.6 | -2 | 113.6 | S596 T597 M601 | S596-R599 WeakPolarHBondContact O-CD 3.26Å; S596-R599 VanDerWaalsContact O-CG 3.26Å; S596-R599 WeakPolarHBondContact O-CG 3.17Å; S596-R599 PolarHBondContact O-NE 2.79Å; T597-R599 VanDerWaalsContact C-N 3.3Å; T597-R599 PolarHBondContact O-N 3.28Å; R599-M601 VanDerWaalsContact C-N 3.31Å |
| 600 | W | 91.1 | Very high | 88.3 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 14.1 | 178.5 | -58.7 | -20.6 | 0 | 0 | 0 | 113.5 | F481 L585 T597 S598 N602 E603 Y604 N648 V649 | F481-W600 HydrophobicContact CE1-CB 3.89Å; F481-W600 AromaticContact CE1-CD1 3.47Å; F481-W600 VanDerWaalsContact CE1-CD1 3.47Å; F481-W600 AromaticContact CE1-CD2 3.84Å; F481-W600 HydrophobicContact CE1-CD2 3.84Å; F481-W600 AromaticContact CE1-CG 3.5Å; F481-W600 HydrophobicContact CE1-CG 3.5Å; F481-W600 VanDerWaalsContact CE1-CG 3.5Å; F481-W600 AromaticContact CE1-NE1 3.81Å; F481-W600 HydrophobicContact CZ-CB 4.29Å; F481-W600 AromaticContact CZ-CD1 3.91Å; F481-W600 AromaticContact CZ-CD2 3.5Å; F481-W600 HydrophobicContact CZ-CD2 3.5Å; F481-W600 VanDerWaalsContact CZ-CD2 3.5Å; F481-W600 AromaticContact CZ-CE2 3.61Å; F481-W600 AromaticContact CZ-CE3 3.9Å; F481-W600 HydrophobicContact CZ-CE3 3.9Å; F481-W600 AromaticContact CZ-CG 3.7Å; F481-W600 HydrophobicContact CZ-CG 3.7Å; F481-W600 HydrophobicContact CZ-CH2 4.37Å; F481-W600 HydrophobicContact CZ-CZ2 4.07Å; F481-W600 HydrophobicContact CZ-CZ3 4.3Å; F481-W600 AromaticContact CZ-NE1 3.89Å; L585-W600 HydrophobicContact CD2-CE3 4.18Å; L585-W600 HydrophobicContact CD2-CZ3 4.19Å; T597-W600 HydrophobicContact CG2-CE3 3.85Å; T597-W600 HydrophobicContact CG2-CH2 4.41Å; T597-W600 HydrophobicContact CG2-CZ3 3.77Å; T597-W600 VanDerWaalsContact O-CB 3.29Å; T597-W600 WeakPolarHBondContact O-CB 3.46Å; T597-W600 PolarHBondContact O-N 2.92Å; S598-W600 PolarHBondContact O-N 2.59Å; S598-W600 VanDerWaalsContact O-N 3.08Å; W600-N602 PolarHBondContact O-N 2.96Å; W600-E603 HydrophobicContact CB-CB 4.49Å; W600-E603 WeakPolarHBondContact O-CA 3.35Å; W600-E603 WeakPolarHBondContact O-CB 3.39Å; W600-E603 PolarHBondContact O-N 3.22Å; W600-Y604 HydrophobicContact CB-CD2 3.82Å; W600-Y604 HydrophobicContact CB-CE2 3.83Å; W600-Y604 HydrophobicContact CD2-CE2 4.36Å; W600-Y604 AromaticContact CE3-CE2 3.81Å; W600-Y604 HydrophobicContact CE3-CE2 3.81Å; W600-Y604 HydrophobicContact CG-CE2 4.44Å; W600-Y604 WeakPolarHBondContact O-CD2 3.44Å; W600-Y604 PolarHBondContact O-N 2.95Å; W600-Y604 VanDerWaalsContact O-N 3.16Å; W600-N648 WeakPolarHBondContact CH2-O 3.38Å; W600-V649 HydrophobicContact CH2-CG2 3.4Å; W600-V649 HydrophobicContact CZ3-CG2 3.73Å |
| 601 | M | 90.8 | Very high | 88.5 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 31% | 0.31 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.9 | -32.2 | 177.7 | -164.7 | 174.2 | -67.5 | 0 | 0 | 113.2 | Y591 S598 R599 E603 G605 N606 | Y591-M601 WeakPolarHBondContact OH-CA 3.16Å; S598-M601 PolarHBondContact O-N 3.43Å; R599-M601 VanDerWaalsContact C-N 3.31Å; M601-E603 PolarHBondContact O-N 2.86Å; M601-G605 VanDerWaalsContact O-CA 3.24Å; M601-G605 WeakPolarHBondContact O-CA 3.5Å; M601-G605 PolarHBondContact O-N 3.41Å; M601-N606 HydrophobicContact CG-CB 3.99Å; M601-N606 HydrophobicContact SD-CB 3.7Å |
| 602 | N | 89 | Confident | 88.8 | Confident | 161 Ų | 161 | 62.1 Ų | 62.1 | 86% | 0.861 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.8 | -19.8 | 174 | -67.8 | -11.4 | 0 | 0 | 0 | 113.5 | W600 | W600-N602 PolarHBondContact O-N 2.96Å |
| 603 | E | 95.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -90.8 | -36.5 | 178.8 | 175.1 | 63 | -157.2 | 0 | 0 | 112.3 | G480 F481 H520 S524 D525 K528 W600 M601 | G480-E603 WeakPolarHBondContact CA-OE1 3.36Å; F481-E603 WeakPolarHBondContact CA-OE2 3.3Å; F481-E603 HydrophobicContact CD1-CB 3.79Å; F481-E603 HydrophobicContact CD1-CG 3.83Å; F481-E603 HydrophobicContact CE1-CB 3.55Å; F481-E603 HydrophobicContact CE1-CG 3.6Å; F481-E603 HydrophobicContact CG-CG 4.42Å; F481-E603 HydrophobicContact CZ-CB 4.39Å; F481-E603 HydrophobicContact CZ-CG 4.02Å; F481-E603 PolarHBondContact N-OE2 3.22Å; H520-E603 IonicContact CD2-OE2 3.74Å; H520-E603 IonicContact CE1-OE2 2.75Å; H520-E603 IonicContact NE2-OE2 2.76Å; H520-E603 PolarHBondContact NE2-OE2 3.09Å; S524-E603 VanDerWaalsContact OG-CD 3.28Å; S524-E603 PolarHBondContact OG-OE1 3.1Å; S524-E603 PolarHBondContact OG-OE2 2.88Å; D525-E603 PolarHBondContact N-O 2.78Å; K528-E603 IonicContact NZ-OE1 2.85Å; K528-E603 PolarHBondContact NZ-OE1 2.84Å; W600-E603 HydrophobicContact CB-CB 4.49Å; W600-E603 WeakPolarHBondContact O-CA 3.35Å; W600-E603 WeakPolarHBondContact O-CB 3.39Å; W600-E603 PolarHBondContact O-N 3.22Å; M601-E603 PolarHBondContact O-N 2.86Å |
| 604 | Y | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -113.5 | -8.2 | -171.7 | -60.7 | -68.2 | 0 | 0 | 0 | 114.4 | F481 N560 L563 L585 M588 Y591 W600 | F481-Y604 HydrophobicContact CZ-CE2 4.18Å; N560-Y604 WeakPolarHBondContact CB-OH 3.15Å; N560-Y604 PolarHBondContact OD1-OH 2.92Å; L563-Y604 HydrophobicContact CD2-CD1 4.49Å; L563-Y604 HydrophobicContact CD2-CE1 3.56Å; L585-Y604 HydrophobicContact CD2-CD2 4.39Å; L585-Y604 HydrophobicContact CD2-CE1 4.4Å; L585-Y604 HydrophobicContact CD2-CE2 3.68Å; M588-Y604 HydrophobicContact CE-CD1 3.52Å; M588-Y604 HydrophobicContact CE-CD2 4.16Å; M588-Y604 HydrophobicContact CE-CE1 3.87Å; M588-Y604 HydrophobicContact CE-CG 3.66Å; Y591-Y604 HydrophobicContact CD2-CD2 4.32Å; Y591-Y604 HydrophobicContact CE2-CD2 4.09Å; W600-Y604 HydrophobicContact CB-CD2 3.82Å; W600-Y604 HydrophobicContact CB-CE2 3.83Å; W600-Y604 HydrophobicContact CD2-CE2 4.36Å; W600-Y604 AromaticContact CE3-CE2 3.81Å; W600-Y604 HydrophobicContact CE3-CE2 3.81Å; W600-Y604 HydrophobicContact CG-CE2 4.44Å; W600-Y604 WeakPolarHBondContact O-CD2 3.44Å; W600-Y604 PolarHBondContact O-N 2.95Å; W600-Y604 VanDerWaalsContact O-N 3.16Å |
| 605 | G | 93.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | trans | 82.6 | 163.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y591 M601 | Y591-G605 PolarHBondContact OH-O 2.86Å; M601-G605 VanDerWaalsContact O-CA 3.24Å; M601-G605 WeakPolarHBondContact O-CA 3.5Å; M601-G605 PolarHBondContact O-N 3.41Å | ||
| 606 | N | 91.1 | Very high | 91.6 | Very high | 41 Ų | 41 | 52 Ų | 52 | 22% | 0.219 | 25% | 0.246 | C | C | . | . | trans | -88.6 | 122.2 | 179.3 | -174 | -14.6 | 0 | 0 | 0 | 112.1 | M601 Y608 Y609 V612 | M601-N606 HydrophobicContact CG-CB 3.99Å; M601-N606 HydrophobicContact SD-CB 3.7Å; N606-Y608 PolarHBondContact O-N 3.29Å; N606-Y608 WeakPolarHBondContact OD1-CD2 3.13Å; N606-Y608 PolarHBondContact OD1-N 2.96Å; N606-Y608 VanDerWaalsContact OD1-N 3.09Å; N606-Y609 HydrophobicContact CB-CD2 3.85Å; N606-Y609 HydrophobicContact CB-CE2 3.91Å; N606-Y609 PolarHBondContact O-N 3.22Å; N606-Y609 VanDerWaalsContact O-N 3.09Å; N606-V612 WeakPolarHBondContact O-CB 2.82Å; N606-V612 WeakPolarHBondContact O-CG1 3.46Å | ||
| 607 | L | 90.5 | Very high | 92.6 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -19.3 | -178.4 | -163.5 | 74.6 | 0 | 0 | 0 | 114.1 | F22 F23 L589 Y592 Y609 F613 L616 | F22-L607 HydrophobicContact CD1-CD2 3.98Å; F22-L607 HydrophobicContact CD1-CG 4.44Å; F22-L607 HydrophobicContact CE1-CD2 3.37Å; F22-L607 HydrophobicContact CE1-CG 4.27Å; F22-L607 HydrophobicContact CZ-CD2 3.94Å; F23-L607 WeakPolarHBondContact CE2-O 3.36Å; L589-L607 HydrophobicContact CD2-CD1 3.82Å; L589-L607 VanDerWaalsContact O-CD2 3.26Å; L589-L607 WeakPolarHBondContact O-CD2 3.32Å; Y592-L607 HydrophobicContact CD1-CB 4.45Å; Y592-L607 HydrophobicContact CD1-CD2 4.27Å; Y592-L607 HydrophobicContact CE1-CB 4.32Å; Y592-L607 HydrophobicContact CE1-CD2 3.54Å; L607-Y609 PolarHBondContact O-N 2.95Å; L607-F613 HydrophobicContact CD1-CB 4.1Å; L607-F613 HydrophobicContact CD1-CD2 3.97Å; L607-L616 HydrophobicContact CD1-CD1 3.5Å; L607-L616 VanDerWaalsContact CD1-CD1 3.5Å |
| 608 | Y | 89.7 | Confident | 93.4 | Very high | 172 Ų | 172 | 56 Ų | 56 | 68% | 0.675 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -7.5 | 175.8 | -67.1 | -64 | 0 | 0 | 0 | 114.1 | F23 N606 | F23-Y608 WeakPolarHBondContact CZ-O 3.43Å; N606-Y608 PolarHBondContact O-N 3.29Å; N606-Y608 WeakPolarHBondContact OD1-CD2 3.13Å; N606-Y608 PolarHBondContact OD1-N 2.96Å; N606-Y608 VanDerWaalsContact OD1-N 3.09Å |
| 609 | Y | 94.7 | Very high | 94 | Very high | 145 Ų | 145 | 54 Ų | 54 | 57% | 0.569 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -101.3 | 128.8 | 170.8 | -57.4 | -70.1 | 0 | 0 | 0 | 111.1 | N606 L607 N611 V612 F613 | N606-Y609 HydrophobicContact CB-CD2 3.85Å; N606-Y609 HydrophobicContact CB-CE2 3.91Å; N606-Y609 PolarHBondContact O-N 3.22Å; N606-Y609 VanDerWaalsContact O-N 3.09Å; L607-Y609 PolarHBondContact O-N 2.95Å; Y609-N611 VanDerWaalsContact C-N 3.33Å; Y609-N611 WeakPolarHBondContact CB-OD1 3.43Å; Y609-N611 PolarHBondContact O-N 2.78Å; Y609-V612 WeakPolarHBondContact O-CB 3.36Å; Y609-V612 PolarHBondContact O-N 3.13Å; Y609-V612 VanDerWaalsContact O-N 3.08Å; Y609-F613 PolarHBondContact O-N 3.17Å |
| 610 | E | 96.1 | Very high | 94.6 | Very high | 105 Ų | 105 | 46.9 Ų | 46.9 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.1 | -37.9 | -172.7 | -175.6 | 177.4 | -178.3 | 0 | 0 | 113.3 | F23 V612 F613 N614 | F23-E610 HydrophobicContact CB-CG 4.14Å; F23-E610 HydrophobicContact CD1-CB 3.71Å; F23-E610 HydrophobicContact CD1-CG 4Å; F23-E610 HydrophobicContact CD2-CB 4.33Å; F23-E610 HydrophobicContact CD2-CG 4.29Å; F23-E610 HydrophobicContact CE1-CB 3.77Å; F23-E610 HydrophobicContact CE2-CB 4.39Å; F23-E610 HydrophobicContact CG-CB 4Å; F23-E610 HydrophobicContact CG-CG 3.87Å; F23-E610 HydrophobicContact CZ-CB 4.12Å; E610-V612 VanDerWaalsContact C-N 3.34Å; E610-F613 PolarHBondContact O-N 2.99Å; E610-N614 WeakPolarHBondContact O-CB 3.16Å; E610-N614 PolarHBondContact O-N 2.55Å; E610-N614 PolarHBondContact O-ND2 3.41Å |
| 611 | N | 96.3 | Very high | 94.9 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 175.6 | 63.4 | -39.5 | 0 | 0 | 0 | 111.7 | Y609 N614 A615 | Y609-N611 VanDerWaalsContact C-N 3.33Å; Y609-N611 WeakPolarHBondContact CB-OD1 3.43Å; Y609-N611 PolarHBondContact O-N 2.78Å; N611-N614 PolarHBondContact O-N 3.21Å; N611-A615 WeakPolarHBondContact O-CB 3.44Å; N611-A615 PolarHBondContact O-N 3.23Å |
| 612 | V | 95.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.7 | -45.7 | 175.8 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | V526 N606 Y609 E610 N614 A615 L616 | V526-V612 HydrophobicContact CG1-CG2 4.02Å; N606-V612 WeakPolarHBondContact O-CB 2.82Å; N606-V612 WeakPolarHBondContact O-CG1 3.46Å; Y609-V612 WeakPolarHBondContact O-CB 3.36Å; Y609-V612 PolarHBondContact O-N 3.13Å; Y609-V612 VanDerWaalsContact O-N 3.08Å; E610-V612 VanDerWaalsContact C-N 3.34Å; V612-N614 PolarHBondContact O-N 3.41Å; V612-A615 PolarHBondContact O-N 2.86Å; V612-L616 HydrophobicContact CG1-CD1 3.69Å; V612-L616 HydrophobicContact CG1-CG 4.17Å; V612-L616 WeakPolarHBondContact O-CB 3.36Å; V612-L616 WeakPolarHBondContact O-CG 3.32Å; V612-L616 PolarHBondContact O-N 2.86Å |
| 613 | F | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56 | -48.3 | 174.4 | 161.7 | -103.7 | 0 | 0 | 0 | 112.4 | F22 F23 K25 I27 L589 L607 Y609 E610 A615 L616 L617 | F22-F613 HydrophobicContact CB-CD1 4.44Å; F22-F613 HydrophobicContact CB-CD2 3.71Å; F22-F613 HydrophobicContact CB-CE1 4.03Å; F22-F613 HydrophobicContact CB-CE2 3.27Å; F22-F613 HydrophobicContact CB-CG 4.28Å; F22-F613 HydrophobicContact CB-CZ 3.44Å; F22-F613 VanDerWaalsContact CB-CZ 3.44Å; F22-F613 HydrophobicContact CD1-CD2 4.34Å; F22-F613 HydrophobicContact CD1-CE2 4.42Å; F22-F613 AromaticContact CD2-CE2 3.97Å; F22-F613 HydrophobicContact CD2-CE2 3.97Å; F22-F613 HydrophobicContact CG-CD2 4.01Å; F22-F613 AromaticContact CG-CE2 3.65Å; F22-F613 HydrophobicContact CG-CE2 3.65Å; F22-F613 HydrophobicContact CG-CZ 4.29Å; F23-F613 HydrophobicContact CD2-CB 3.86Å; F23-F613 AromaticContact CD2-CD1 3.49Å; F23-F613 HydrophobicContact CD2-CD1 3.49Å; F23-F613 VanDerWaalsContact CD2-CD1 3.49Å; F23-F613 HydrophobicContact CD2-CD2 4.48Å; F23-F613 HydrophobicContact CD2-CE1 4.14Å; F23-F613 AromaticContact CD2-CG 3.68Å; F23-F613 HydrophobicContact CD2-CG 3.68Å; F23-F613 HydrophobicContact CE2-CB 3.52Å; F23-F613 HydrophobicContact CE2-CD1 4.09Å; F23-F613 AromaticContact CE2-CG 3.83Å; F23-F613 HydrophobicContact CE2-CG 3.83Å; F23-F613 HydrophobicContact CG-CD1 4.44Å; K25-F613 HydrophobicContact CB-CZ 4.36Å; K25-F613 HydrophobicContact CD-CE1 3.95Å; K25-F613 HydrophobicContact CD-CZ 4.26Å; I27-F613 HydrophobicContact CD1-CZ 4.48Å; I27-F613 HydrophobicContact CG1-CE2 4.44Å; I27-F613 HydrophobicContact CG1-CZ 4.35Å; L589-F613 HydrophobicContact CD1-CE2 4.3Å; L589-F613 HydrophobicContact CD2-CD2 3.9Å; L589-F613 HydrophobicContact CD2-CE2 3.97Å; L607-F613 HydrophobicContact CD1-CB 4.1Å; L607-F613 HydrophobicContact CD1-CD2 3.97Å; Y609-F613 PolarHBondContact O-N 3.17Å; E610-F613 PolarHBondContact O-N 2.99Å; F613-A615 VanDerWaalsContact C-N 3.31Å; F613-A615 PolarHBondContact O-N 3.28Å; F613-L616 PolarHBondContact O-N 2.85Å; F613-L617 HydrophobicContact CE1-CD2 4.4Å; F613-L617 HydrophobicContact CE2-CD2 4.45Å; F613-L617 HydrophobicContact CZ-CD2 3.92Å; F613-L617 VanDerWaalsContact O-CB 3.27Å; F613-L617 WeakPolarHBondContact O-CB 3.44Å; F613-L617 PolarHBondContact O-N 2.62Å |
| 614 | N | 97.1 | Very high | 95.5 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.2 | -38.6 | 178.2 | -74.7 | -44.6 | 0 | 0 | 0 | 111.7 | K25 E610 N611 V612 S618 | K25-N614 PolarHBondContact NZ-OD1 2.77Å; E610-N614 WeakPolarHBondContact O-CB 3.16Å; E610-N614 PolarHBondContact O-N 2.55Å; E610-N614 PolarHBondContact O-ND2 3.41Å; N611-N614 PolarHBondContact O-N 3.21Å; V612-N614 PolarHBondContact O-N 3.41Å; N614-S618 WeakPolarHBondContact O-CB 3.28Å; N614-S618 PolarHBondContact O-N 2.94Å; N614-S618 VanDerWaalsContact O-N 3.09Å |
| 615 | A | 97.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -52.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | V526 N611 V612 F613 L617 S618 Y619 | V526-A615 HydrophobicContact CB-CB 4.02Å; V526-A615 HydrophobicContact CG1-CB 4.01Å; N611-A615 WeakPolarHBondContact O-CB 3.44Å; N611-A615 PolarHBondContact O-N 3.23Å; V612-A615 PolarHBondContact O-N 2.86Å; F613-A615 VanDerWaalsContact C-N 3.31Å; F613-A615 PolarHBondContact O-N 3.28Å; A615-L617 VanDerWaalsContact C-N 3.32Å; A615-L617 PolarHBondContact O-N 2.89Å; A615-S618 WeakPolarHBondContact O-CB 3.35Å; A615-S618 PolarHBondContact O-N 2.85Å; A615-S618 PolarHBondContact O-OG 2.92Å; A615-Y619 WeakPolarHBondContact O-CD1 3.24Å; A615-Y619 VanDerWaalsContact O-CE1 3.26Å; A615-Y619 WeakPolarHBondContact O-CE1 3.1Å |
| 616 | L | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.8 | -45.5 | 177.9 | -71.3 | 168 | 0 | 0 | 0 | 111.6 | M588 L589 Y591 L607 V612 F613 S618 Y619 S620 | M588-L616 HydrophobicContact CB-CB 4.1Å; M588-L616 HydrophobicContact CB-CD2 3.86Å; M588-L616 HydrophobicContact CE-CD2 3.55Å; M588-L616 HydrophobicContact CG-CD2 4.5Å; L589-L616 HydrophobicContact CD2-CB 4.31Å; Y591-L616 HydrophobicContact CE1-CD1 4.12Å; Y591-L616 HydrophobicContact CE1-CD2 4.47Å; L607-L616 HydrophobicContact CD1-CD1 3.5Å; L607-L616 VanDerWaalsContact CD1-CD1 3.5Å; V612-L616 HydrophobicContact CG1-CD1 3.69Å; V612-L616 HydrophobicContact CG1-CG 4.17Å; V612-L616 WeakPolarHBondContact O-CB 3.36Å; V612-L616 WeakPolarHBondContact O-CG 3.32Å; V612-L616 PolarHBondContact O-N 2.86Å; F613-L616 PolarHBondContact O-N 2.85Å; L616-S618 VanDerWaalsContact C-N 3.26Å; L616-S618 PolarHBondContact O-N 3.49Å; L616-Y619 HydrophobicContact CD2-CE1 4.44Å; L616-Y619 HydrophobicContact CD2-CE2 4.48Å; L616-Y619 WeakPolarHBondContact CD2-OH 3.44Å; L616-Y619 PolarHBondContact O-N 2.88Å; L616-S620 WeakPolarHBondContact O-CA 3.22Å; L616-S620 VanDerWaalsContact O-CB 3.29Å; L616-S620 WeakPolarHBondContact O-CB 3.27Å; L616-S620 PolarHBondContact O-N 2.99Å |
| 617 | L | 97.2 | Very high | 94.9 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 18% | 0.183 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -34.4 | 176.9 | -177.9 | 63.3 | 0 | 0 | 0 | 112 | I27 L589 F613 A615 Y619 H623 N624 | I27-L617 HydrophobicContact CD1-CD1 4.21Å; I27-L617 HydrophobicContact CD1-CD2 4.18Å; L589-L617 HydrophobicContact CD1-CD1 4.18Å; L589-L617 HydrophobicContact CD2-CB 4.45Å; F613-L617 HydrophobicContact CE1-CD2 4.4Å; F613-L617 HydrophobicContact CE2-CD2 4.45Å; F613-L617 HydrophobicContact CZ-CD2 3.92Å; F613-L617 VanDerWaalsContact O-CB 3.27Å; F613-L617 WeakPolarHBondContact O-CB 3.44Å; F613-L617 PolarHBondContact O-N 2.62Å; A615-L617 VanDerWaalsContact C-N 3.32Å; A615-L617 PolarHBondContact O-N 2.89Å; L617-Y619 VanDerWaalsContact C-N 3.25Å; L617-Y619 PolarHBondContact O-N 2.88Å; L617-H623 HydrophobicContact CD1-CB 3.95Å; L617-N624 PolarHBondContact O-ND2 3.06Å |
| 618 | S | 96.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 39% | 0.392 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.6 | -21 | -177.3 | 78.7 | 0 | 0 | 0 | 0 | 114.8 | T529 N614 A615 L616 | T529-S618 WeakPolarHBondContact CG2-OG 3.11Å; N614-S618 WeakPolarHBondContact O-CB 3.28Å; N614-S618 PolarHBondContact O-N 2.94Å; N614-S618 VanDerWaalsContact O-N 3.09Å; A615-S618 WeakPolarHBondContact O-CB 3.35Å; A615-S618 PolarHBondContact O-N 2.85Å; A615-S618 PolarHBondContact O-OG 2.92Å; L616-S618 VanDerWaalsContact C-N 3.26Å; L616-S618 PolarHBondContact O-N 3.49Å |
| 619 | Y | 97 | Very high | 93.4 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -127.4 | -4.2 | 179.1 | 67.6 | -98.6 | 0 | 0 | 0 | 114.2 | K528 T529 I532 L563 S567 M588 A615 L616 L617 P621 | K528-Y619 HydrophobicContact CB-CD1 4.4Å; K528-Y619 HydrophobicContact CB-CE1 3.72Å; K528-Y619 HydrophobicContact CB-CE2 4.49Å; K528-Y619 HydrophobicContact CG-CE1 4.23Å; K528-Y619 HydrophobicContact CG-CE2 4.1Å; T529-Y619 HydrophobicContact CG2-CD1 3.89Å; T529-Y619 HydrophobicContact CG2-CG 4.5Å; I532-Y619 VanDerWaalsContact CD1-CB 3.49Å; I532-Y619 HydrophobicContact CD1-CD2 4.42Å; I532-Y619 HydrophobicContact CD1-CG 4.06Å; L563-Y619 HydrophobicContact CD1-CD2 4.05Å; L563-Y619 HydrophobicContact CD1-CE2 4.15Å; L563-Y619 HydrophobicContact CD2-CE2 4.08Å; S567-Y619 PolarHBondContact OG-O 3.19Å; S567-Y619 VanDerWaalsContact OG-O 3.05Å; M588-Y619 HydrophobicContact CE-CE2 4.11Å; M588-Y619 HydrophobicContact CG-CD2 4.22Å; M588-Y619 HydrophobicContact CG-CE2 3.75Å; M588-Y619 HydrophobicContact SD-CE2 4.24Å; A615-Y619 WeakPolarHBondContact O-CD1 3.24Å; A615-Y619 VanDerWaalsContact O-CE1 3.26Å; A615-Y619 WeakPolarHBondContact O-CE1 3.1Å; L616-Y619 HydrophobicContact CD2-CE1 4.44Å; L616-Y619 HydrophobicContact CD2-CE2 4.48Å; L616-Y619 WeakPolarHBondContact CD2-OH 3.44Å; L616-Y619 PolarHBondContact O-N 2.88Å; L617-Y619 VanDerWaalsContact C-N 3.25Å; L617-Y619 PolarHBondContact O-N 2.88Å; Y619-P621 VanDerWaalsContact O-CD 3.24Å; Y619-P621 WeakPolarHBondContact O-CD 3.31Å; Y619-P621 VanDerWaalsContact O-N 3.15Å |
| 620 | S | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -55.3 | 121.7 | -179.6 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | S586 M588 L616 I622 H623 N624 | S586-S620 PolarHBondContact O-OG 2.89Å; M588-S620 PolarHBondContact N-OG 2.88Å; L616-S620 WeakPolarHBondContact O-CA 3.22Å; L616-S620 VanDerWaalsContact O-CB 3.29Å; L616-S620 WeakPolarHBondContact O-CB 3.27Å; L616-S620 PolarHBondContact O-N 2.99Å; S620-I622 PolarHBondContact O-N 3.11Å; S620-H623 VanDerWaalsContact CB-ND1 3.27Å; S620-H623 WeakPolarHBondContact CB-ND1 3.48Å; S620-H623 PolarHBondContact O-N 2.83Å; S620-H623 VanDerWaalsContact O-N 3.11Å; S620-H623 PolarHBondContact OG-ND1 2.89Å; S620-N624 PolarHBondContact N-ND2 3.48Å; S620-N624 PolarHBondContact O-N 3.34Å; S620-N624 PolarHBondContact O-ND2 3Å | ||
| 621 | P | 97.8 | Very high | 91 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -57.8 | -46.6 | -172 | -35.5 | 40.6 | 0 | 0 | 0 | 115.8 | L563 V566 N570 S586 Y619 H623 N624 L657 | L563-P621 VanDerWaalsContact CD1-CD 3.46Å; L563-P621 HydrophobicContact CD1-CG 3.55Å; V566-P621 HydrophobicContact CB-CB 4.35Å; V566-P621 HydrophobicContact CG1-CB 3.36Å; V566-P621 HydrophobicContact CG1-CG 3.22Å; V566-P621 HydrophobicContact CG2-CB 4.05Å; N570-P621 PolarHBondContact ND2-O 2.86Å; S586-P621 WeakPolarHBondContact O-CD 3.4Å; Y619-P621 VanDerWaalsContact O-CD 3.24Å; Y619-P621 WeakPolarHBondContact O-CD 3.31Å; Y619-P621 VanDerWaalsContact O-N 3.15Å; P621-H623 PolarHBondContact O-N 2.92Å; P621-N624 PolarHBondContact O-N 3.11Å; P621-L657 HydrophobicContact CB-CD1 4.07Å |
| 622 | I | 96.3 | Very high | 89.8 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.087 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -68.8 | -23.9 | -179.7 | 66.7 | 172.7 | 0 | 0 | 0 | 113.2 | S586 D587 S620 K656 L657 T660 | S586-I622 PolarHBondContact O-N 3.05Å; S586-I622 VanDerWaalsContact O-N 3.15Å; D587-I622 HydrophobicContact CB-CD1 3.68Å; D587-I622 HydrophobicContact CB-CG1 4.37Å; D587-I622 VanDerWaalsContact CG-CD1 3.43Å; S620-I622 PolarHBondContact O-N 3.11Å; I622-K656 HydrophobicContact CD1-CD 4.38Å; I622-K656 HydrophobicContact CG2-CB 4.41Å; I622-L657 HydrophobicContact CG2-CB 4.21Å; I622-L657 HydrophobicContact CG2-CD1 4.11Å; I622-T660 HydrophobicContact CB-CG2 4.33Å; I622-T660 WeakPolarHBondContact O-CG2 3.28Å |
| 623 | H | 95.7 | Very high | 88.8 | Confident | 51 Ų | 51 | 39.3 Ų | 39.3 | 24% | 0.236 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -90.8 | -12.5 | -177 | -58.1 | 106 | 0 | 0 | 0 | 113.2 | D587 L589 L617 S620 P621 | D587-H623 IonicContact OD1-CE1 2.73Å; L589-H623 VanDerWaalsContact CD1-CE1 3.48Å; L589-H623 WeakPolarHBondContact CD1-CE1 3.05Å; L617-H623 HydrophobicContact CD1-CB 3.95Å; S620-H623 VanDerWaalsContact CB-ND1 3.27Å; S620-H623 WeakPolarHBondContact CB-ND1 3.48Å; S620-H623 PolarHBondContact O-N 2.83Å; S620-H623 VanDerWaalsContact O-N 3.11Å; S620-H623 PolarHBondContact OG-ND1 2.89Å; P621-H623 PolarHBondContact O-N 2.92Å |
| 624 | N | 95.4 | Very high | 88.1 | Confident | 59 Ų | 59 | 43.4 Ų | 43.4 | 32% | 0.316 | 23% | 0.23 | S | C | . | . | trans | -120.6 | 21.9 | -173.8 | -68.7 | -84 | 0 | 0 | 0 | 113.2 | N570 L617 S620 P621 P626 | N570-N624 HydrophobicContact CB-CB 4.49Å; N570-N624 WeakPolarHBondContact CB-O 3.47Å; N570-N624 VanDerWaalsContact CG-O 3.24Å; N570-N624 PolarHBondContact ND2-O 2.89Å; L617-N624 PolarHBondContact O-ND2 3.06Å; S620-N624 PolarHBondContact N-ND2 3.48Å; S620-N624 PolarHBondContact O-N 3.34Å; S620-N624 PolarHBondContact O-ND2 3Å; P621-N624 PolarHBondContact O-N 3.11Å; N624-P626 WeakPolarHBondContact O-CD 3.33Å | ||
| 625 | V | 93.2 | Very high | 87.8 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | trans | -60.8 | 122.5 | 174.1 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | T660 L661 E664 L665 | V625-T660 HydrophobicContact CG2-CG2 3.83Å; V625-L661 HydrophobicContact CG1-CD2 3.96Å; V625-L661 HydrophobicContact CG2-CD2 3.8Å; V625-E664 HydrophobicContact CB-CB 4.34Å; V625-E664 HydrophobicContact CG1-CB 3.87Å; V625-L665 HydrophobicContact CG1-CD2 3.75Å; V625-L665 HydrophobicContact CG1-CG 3.95Å | ||
| 626 | P | 89.5 | Confident | 87.7 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | trans | -71.7 | 141.6 | -170.5 | 27.1 | -34.7 | 0 | 0 | 0 | 111.4 | N624 L628 T631 Y635 | N624-P626 WeakPolarHBondContact O-CD 3.33Å; P626-L628 HydrophobicContact CG-CD2 4.43Å; P626-L628 PolarHBondContact O-N 3.05Å; P626-T631 HydrophobicContact CB-CG2 4.18Å; P626-Y635 HydrophobicContact CG-CD2 3.7Å; P626-Y635 HydrophobicContact CG-CE2 3.77Å | ||
| 627 | N | 84.3 | Confident | 87.7 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | trans | -76.7 | 105.7 | 169.2 | -170.7 | -28.5 | 0 | 0 | 0 | 110.1 | S629 I630 T631 | N627-S629 VanDerWaalsContact CG-OG 3.31Å; N627-S629 PolarHBondContact O-N 3.47Å; N627-S629 VanDerWaalsContact O-N 3.16Å; N627-S629 WeakPolarHBondContact OD1-CB 3.32Å; N627-S629 PolarHBondContact OD1-N 3.24Å; N627-S629 VanDerWaalsContact OD1-N 3.07Å; N627-S629 PolarHBondContact OD1-OG 3.29Å; N627-I630 HydrophobicContact CB-CB 4.46Å; N627-I630 HydrophobicContact CB-CD1 3.95Å; N627-I630 HydrophobicContact CB-CG1 4.1Å; N627-I630 WeakPolarHBondContact O-CB 3.31Å; N627-I630 PolarHBondContact O-N 3.35Å; N627-T631 PolarHBondContact O-N 3.32Å; N627-T631 VanDerWaalsContact O-N 3.12Å | ||
| 628 | L | 76.7 | Confident | 87.7 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -23.8 | -175.8 | -60.3 | -173.1 | 0 | 0 | 0 | 113.9 | P626 I630 T631 K632 L665 Q674 | P626-L628 HydrophobicContact CG-CD2 4.43Å; P626-L628 PolarHBondContact O-N 3.05Å; L628-I630 VanDerWaalsContact C-N 3.29Å; L628-I630 PolarHBondContact O-N 2.69Å; L628-T631 WeakPolarHBondContact CA-OG1 3.21Å; L628-K632 WeakPolarHBondContact O-CA 3.27Å; L628-K632 PolarHBondContact O-N 2.86Å; L628-L665 HydrophobicContact CD1-CD2 3.91Å; L628-L665 HydrophobicContact CD2-CD2 4.11Å; L628-L665 HydrophobicContact CG-CD2 3.83Å; L628-Q674 HydrophobicContact CD1-CB 4.05Å |
| 629 | S | 72.5 | Confident | 87.7 | Confident | 40 Ų | 40 | 35.8 Ų | 35.8 | 28% | 0.28 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.5 | -35.8 | 174.3 | 70.6 | 0 | 0 | 0 | 0 | 112.6 | N627 C670 | N627-S629 VanDerWaalsContact CG-OG 3.31Å; N627-S629 PolarHBondContact O-N 3.47Å; N627-S629 VanDerWaalsContact O-N 3.16Å; N627-S629 WeakPolarHBondContact OD1-CB 3.32Å; N627-S629 PolarHBondContact OD1-N 3.24Å; N627-S629 VanDerWaalsContact OD1-N 3.07Å; N627-S629 PolarHBondContact OD1-OG 3.29Å; S629-C670 WeakPolarHBondContact CB-SG 3.39Å |
| 630 | I | 71.9 | Confident | 87.8 | Confident | 131 Ų | 131 | 35.6 Ų | 35.6 | 67% | 0.672 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -80.7 | -44.9 | -178.8 | -58.2 | -179.6 | 0 | 0 | 0 | 109.3 | N627 L628 K632 | N627-I630 HydrophobicContact CB-CB 4.46Å; N627-I630 HydrophobicContact CB-CD1 3.95Å; N627-I630 HydrophobicContact CB-CG1 4.1Å; N627-I630 WeakPolarHBondContact O-CB 3.31Å; N627-I630 PolarHBondContact O-N 3.35Å; L628-I630 VanDerWaalsContact C-N 3.29Å; L628-I630 PolarHBondContact O-N 2.69Å; I630-K632 VanDerWaalsContact C-N 3.28Å; I630-K632 PolarHBondContact O-N 2.82Å |
| 631 | T | 69.7 | Low | 87.8 | Confident | 66 Ų | 66 | 35.6 Ų | 35.6 | 41% | 0.405 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -75.3 | -17.4 | -177.6 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | P626 N627 L628 S633 | P626-T631 HydrophobicContact CB-CG2 4.18Å; N627-T631 PolarHBondContact O-N 3.32Å; N627-T631 VanDerWaalsContact O-N 3.12Å; L628-T631 WeakPolarHBondContact CA-OG1 3.21Å; T631-S633 PolarHBondContact O-N 3.34Å; T631-S633 VanDerWaalsContact O-N 3.08Å; T631-S633 PolarHBondContact OG1-N 3.25Å |
| 632 | K | 70.4 | Confident | 87.6 | Confident | 175 Ų | 175 | 35.7 Ų | 35.7 | 76% | 0.761 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 32.4 | -171.4 | -61.6 | -178.1 | -179.3 | 177 | 0 | 112.3 | L628 I630 | L628-K632 WeakPolarHBondContact O-CA 3.27Å; L628-K632 PolarHBondContact O-N 2.86Å; I630-K632 VanDerWaalsContact C-N 3.28Å; I630-K632 PolarHBondContact O-N 2.82Å |
| 633 | S | 73.8 | Confident | 87.2 | Confident | 24 Ų | 24 | 36.3 Ų | 36.3 | 17% | 0.168 | 19% | 0.186 | C | C | . | . | trans | -117.1 | 166 | -178 | -172 | 0 | 0 | 0 | 0 | 110.2 | T631 | T631-S633 PolarHBondContact O-N 3.34Å; T631-S633 VanDerWaalsContact O-N 3.08Å; T631-S633 PolarHBondContact OG1-N 3.25Å | ||
| 634 | Y | 82 | Confident | 86.6 | Confident | 86 Ų | 86 | 36.6 Ų | 36.6 | 34% | 0.337 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -91.6 | 158.7 | 161.7 | 52.7 | -89.6 | 0 | 0 | 0 | 109.6 | P573 | P573-Y634 WeakPolarHBondContact CB-O 3.48Š|
| 635 | Y | 91.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -94.5 | 143.5 | 168.6 | -159.6 | -98.1 | 0 | 0 | 0 | 109.4 | A569 N570 P573 I579 P626 V638 L661 L665 Q674 N676 | A569-Y635 HydrophobicContact CB-CE2 4.41Å; A569-Y635 WeakPolarHBondContact CB-OH 3.45Å; A569-Y635 WeakPolarHBondContact O-CE2 3.39Å; N570-Y635 PolarHBondContact OD1-OH 2.73Å; P573-Y635 HydrophobicContact CB-CD2 3.9Å; P573-Y635 HydrophobicContact CB-CE2 4.35Å; I579-Y635 HydrophobicContact CD1-CE1 4.3Å; P626-Y635 HydrophobicContact CG-CD2 3.7Å; P626-Y635 HydrophobicContact CG-CE2 3.77Å; Y635-V638 HydrophobicContact CD1-CG2 4Å; Y635-V638 HydrophobicContact CE1-CG2 3.72Å; Y635-L661 HydrophobicContact CE1-CD2 3.84Å; Y635-L665 HydrophobicContact CD1-CD1 3.46Å; Y635-L665 VanDerWaalsContact CD1-CD1 3.46Å; Y635-L665 HydrophobicContact CD2-CD1 4.25Å; Y635-L665 HydrophobicContact CD2-CD2 4.18Å; Y635-L665 HydrophobicContact CE1-CD1 4.11Å; Y635-L665 HydrophobicContact CG-CD1 3.54Å; Y635-L665 HydrophobicContact CG-CD2 4.08Å; Y635-L665 HydrophobicContact CG-CG 4.5Å; Y635-Q674 PolarHBondContact O-NE2 2.92Å; Y635-Q674 PolarHBondContact O-OE1 2.86Å; Y635-N676 WeakPolarHBondContact O-CB 3.45Å; Y635-N676 PolarHBondContact O-ND2 3.32Å |
| 636 | P | 95 | Very high | 85 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 158 | 178.2 | 21.1 | -32.7 | 0 | 0 | 0 | 112.2 | A569 F576 I579 V638 | A569-P636 HydrophobicContact CB-CG 3.92Å; F576-P636 HydrophobicContact CB-CB 4.11Å; F576-P636 HydrophobicContact CB-CG 4.37Å; I579-P636 HydrophobicContact CG2-CB 4.37Å; I579-P636 HydrophobicContact CG2-CG 4.03Å; P636-V638 WeakPolarHBondContact O-CG2 3.46Å |
| 637 | A | 96.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 140.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K577 A578 I579 N676 I677 F699 I703 | K577-A637 PolarHBondContact O-N 3.09Å; A578-A637 CarbonylContact C-O 3.46Å; A578-A637 WeakPolarHBondContact CA-O 3.24Å; A578-A637 HydrophobicContact CB-CB 4.12Å; A578-A637 WeakPolarHBondContact CB-O 3.4Å; I579-A637 PolarHBondContact N-O 2.81Å; A637-N676 HydrophobicContact CB-CB 3.95Å; A637-I677 CarbonylContact C-O 3.55Å; A637-I677 WeakPolarHBondContact CA-O 3.27Å; A637-I677 HydrophobicContact CB-CG1 4.25Å; A637-F699 HydrophobicContact CB-CE2 4.41Å; A637-F699 HydrophobicContact CB-CZ 3.9Å; A637-I703 HydrophobicContact CB-CD1 3.51Å; A637-I703 HydrophobicContact CB-CG1 3.97Å; A637-I703 HydrophobicContact CB-CG2 4.14Å |
| 638 | V | 97.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.7 | -174.1 | -178 | 0 | 0 | 0 | 0 | 110.5 | I579 L581 Y635 P636 I640 L661 I677 I678 L679 | I579-V638 HydrophobicContact CD1-CG1 4.27Å; I579-V638 HydrophobicContact CD1-CG2 3.88Å; I579-V638 HydrophobicContact CG1-CB 4.16Å; I579-V638 HydrophobicContact CG1-CG1 4Å; I579-V638 HydrophobicContact CG1-CG2 3.71Å; I579-V638 WeakPolarHBondContact O-CA 3.46Å; L581-V638 HydrophobicContact CD1-CG1 4.21Å; Y635-V638 HydrophobicContact CD1-CG2 4Å; Y635-V638 HydrophobicContact CE1-CG2 3.72Å; P636-V638 WeakPolarHBondContact O-CG2 3.46Å; V638-I640 HydrophobicContact CG1-CD1 4.21Å; V638-I640 HydrophobicContact CG1-CG1 3.82Å; V638-L661 HydrophobicContact CG1-CD1 4.12Å; V638-L661 HydrophobicContact CG2-CD1 4.34Å; V638-I677 PolarHBondContact N-O 3.22Å; V638-I678 HydrophobicContact CB-CB 4.45Å; V638-I678 HydrophobicContact CB-CG1 4.44Å; V638-I678 HydrophobicContact CB-CG2 4.04Å; V638-I678 HydrophobicContact CG1-CG2 4.41Å; V638-I678 HydrophobicContact CG2-CG1 4.45Å; V638-I678 WeakPolarHBondContact O-CA 3.31Å; V638-L679 PolarHBondContact O-N 2.96Å |
| 639 | L | 98.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 112.1 | 163.6 | 178.4 | 64.9 | 0 | 0 | 0 | 109.1 | I579 I580 L581 L641 L679 W681 I696 F699 | I579-L639 PolarHBondContact O-N 2.99Å; I580-L639 WeakPolarHBondContact CA-O 3.1Å; I580-L639 HydrophobicContact CG2-CD2 4.44Å; L581-L639 PolarHBondContact N-O 2.81Å; L639-L641 HydrophobicContact CD2-CD1 4.03Å; L639-L641 HydrophobicContact CD2-CD2 4.28Å; L639-L641 HydrophobicContact CD2-CG 4.27Å; L639-L641 HydrophobicContact CG-CD1 3.93Å; L639-L641 HydrophobicContact CG-CG 4.09Å; L639-L679 HydrophobicContact CD1-CB 3.97Å; L639-W681 HydrophobicContact CD1-CB 4.2Å; L639-I696 HydrophobicContact CD2-CG1 4.1Å; L639-F699 HydrophobicContact CB-CD1 3.89Å; L639-F699 HydrophobicContact CB-CD2 4.08Å; L639-F699 HydrophobicContact CB-CE1 3.8Å; L639-F699 HydrophobicContact CB-CE2 3.98Å; L639-F699 HydrophobicContact CB-CG 4.02Å; L639-F699 HydrophobicContact CB-CZ 3.83Å; L639-F699 HydrophobicContact CD2-CB 3.85Å; L639-F699 HydrophobicContact CD2-CD1 4.1Å; L639-F699 HydrophobicContact CD2-CG 3.94Å; L639-F699 HydrophobicContact CG-CG 4.49Å |
| 640 | I | 98.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123 | 171.5 | -63.4 | 165 | 0 | 0 | 0 | 107.8 | L581 P584 V638 L657 L658 L661 L679 G680 W681 | L581-I640 HydrophobicContact CB-CG1 4.3Å; L581-I640 HydrophobicContact CD1-CG1 3.96Å; L581-I640 CarbonylContact O-C 3.57Å; L581-I640 WeakPolarHBondContact O-CA 3.34Å; P584-I640 HydrophobicContact CG-CG2 4.16Å; V638-I640 HydrophobicContact CG1-CD1 4.21Å; V638-I640 HydrophobicContact CG1-CG1 3.82Å; I640-L657 HydrophobicContact CD1-CB 4.22Å; I640-L657 HydrophobicContact CD1-CD2 3.86Å; I640-L657 HydrophobicContact CD1-CG 3.84Å; I640-L657 HydrophobicContact CG1-CD2 4.39Å; I640-L658 HydrophobicContact CD1-CB 3.9Å; I640-L658 HydrophobicContact CD1-CD1 4.19Å; I640-L661 HydrophobicContact CD1-CD1 4.32Å; I640-L679 PolarHBondContact N-O 3.17Å; I640-G680 CarbonylContact O-C 3.56Å; I640-G680 WeakPolarHBondContact O-CA 3.46Å; I640-W681 PolarHBondContact O-N 2.99Å |
| 641 | L | 96.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 135.7 | 173.5 | -52.3 | 103.6 | 0 | 0 | 0 | 108.6 | I580 L581 N583 L639 W681 K692 I696 | I580-L641 HydrophobicContact CG2-CD1 3.57Å; L581-L641 PolarHBondContact O-N 3.03Å; N583-L641 PolarHBondContact N-O 3.36Å; L639-L641 HydrophobicContact CD2-CD1 4.03Å; L639-L641 HydrophobicContact CD2-CD2 4.28Å; L639-L641 HydrophobicContact CD2-CG 4.27Å; L639-L641 HydrophobicContact CG-CD1 3.93Å; L639-L641 HydrophobicContact CG-CG 4.09Å; L641-W681 CarbonylContact C-O 3.59Å; L641-W681 WeakPolarHBondContact CA-O 3.41Å; L641-W681 HydrophobicContact CB-CE3 4.2Å; L641-W681 HydrophobicContact CD2-CB 4.35Å; L641-W681 HydrophobicContact CD2-CD2 4.24Å; L641-W681 HydrophobicContact CD2-CE3 3.99Å; L641-W681 HydrophobicContact CD2-CG 4.41Å; L641-W681 HydrophobicContact CG-CB 4.33Å; L641-K692 HydrophobicContact CB-CD 4.47Å; L641-K692 HydrophobicContact CD2-CD 4.08Å; L641-K692 HydrophobicContact CD2-CG 3.46Å; L641-K692 VanDerWaalsContact CD2-CG 3.46Å; L641-I696 HydrophobicContact CD1-CD1 4.11Å; L641-I696 HydrophobicContact CD1-CG1 4.03Å; L641-I696 HydrophobicContact CD2-CD1 4Å; L641-I696 HydrophobicContact CD2-CG1 3.76Å |
| 642 | S | 94.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 143.3 | 175.2 | -143 | 0 | 0 | 0 | 0 | 111.6 | N583 Y651 S654 W681 F682 K683 | N583-S642 VanDerWaalsContact OD1-CA 3.23Å; N583-S642 WeakPolarHBondContact OD1-CA 3.38Å; N583-S642 PolarHBondContact OD1-OG 3.01Å; S642-Y651 WeakPolarHBondContact OG-CA 3.22Å; S642-Y651 WeakPolarHBondContact OG-CB 3.17Å; S642-S654 WeakPolarHBondContact CB-OG 3.43Å; S642-S654 WeakPolarHBondContact OG-CB 3.43Å; S642-S654 PolarHBondContact OG-OG 2.89Å; S642-W681 PolarHBondContact N-O 2.81Å; S642-F682 CarbonylContact O-C 3.47Å; S642-F682 WeakPolarHBondContact O-CA 3.13Å; S642-K683 PolarHBondContact O-N 2.81Å |
| 643 | D | 88.9 | Confident | 87.9 | Confident | 30 Ų | 30 | 30.7 Ų | 30.7 | 16% | 0.16 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.6 | 167.7 | -167.7 | -23.6 | 0 | 0 | 0 | 108.9 | N583 Q645 T646 K683 | N583-D643 PolarHBondContact OD1-N 3.41Å; D643-Q645 PolarHBondContact O-N 3.31Å; D643-Q645 PolarHBondContact OD1-N 2.79Å; D643-T646 HydrophobicContact CB-CG2 4.16Å; D643-T646 VanDerWaalsContact O-CG2 3.23Å; D643-T646 WeakPolarHBondContact O-CG2 3.35Å; D643-T646 PolarHBondContact O-N 3.09Å; D643-K683 HydrophobicContact CB-CB 4.39Å; D643-K683 HydrophobicContact CB-CD 4.26Å; D643-K683 VanDerWaalsContact CG-CD 3.41Å; D643-K683 WeakPolarHBondContact OD2-CD 3.36Å; D643-K683 IonicContact OD2-NZ 3.51Å; D643-K683 PolarHBondContact OD2-NZ 3.46Å |
| 644 | L | 83.7 | Confident | 88.9 | Confident | 57 Ų | 57 | 29.6 Ų | 29.6 | 30% | 0.298 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -14.3 | -179.5 | -59.9 | 179.4 | 0 | 0 | 0 | 112.6 | I46 Y651 F682 | I46-L644 HydrophobicContact CD1-CD1 4.33Å; I46-L644 HydrophobicContact CD1-CD2 3.87Å; L644-Y651 HydrophobicContact CD2-CD1 4.05Å; L644-Y651 HydrophobicContact CD2-CD2 3.76Å; L644-Y651 HydrophobicContact CD2-CE2 4.33Å; L644-Y651 HydrophobicContact CD2-CG 3.62Å; L644-F682 HydrophobicContact CD2-CD1 4.04Å |
| 645 | Q | 78.8 | Confident | 89.5 | Confident | 158 Ų | 158 | 25.5 Ų | 25.5 | 74% | 0.738 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 0.3 | -178.2 | -61.9 | 179.3 | -12.5 | 0 | 0 | 113.2 | D643 | D643-Q645 PolarHBondContact O-N 3.31Å; D643-Q645 PolarHBondContact OD1-N 2.79Å |
| 646 | T | 74.6 | Confident | 89.6 | Confident | 40 Ų | 40 | 25.5 Ų | 25.5 | 25% | 0.245 | 14% | 0.139 | C | C | . | . | trans | -66.3 | 143.3 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | D643 N648 V649 | D643-T646 HydrophobicContact CB-CG2 4.16Å; D643-T646 VanDerWaalsContact O-CG2 3.23Å; D643-T646 WeakPolarHBondContact O-CG2 3.35Å; D643-T646 PolarHBondContact O-N 3.09Å; T646-N648 PolarHBondContact OG1-N 3.34Å; T646-V649 WeakPolarHBondContact CG2-O 3.36Å | ||
| 647 | A | 66.6 | Low | 89.7 | Confident | 81 Ų | 81 | 25.5 Ų | 25.5 | 67% | 0.669 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -100.1 | 7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S596 | S596-A647 WeakPolarHBondContact CB-O 3.32Š|
| 648 | N | 79.2 | Confident | 89.7 | Confident | 66 Ų | 66 | 25.5 Ų | 25.5 | 35% | 0.353 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -99.8 | -44.1 | -175.6 | -74.5 | -10.5 | 0 | 0 | 0 | 114.5 | E559 S596 W600 T646 | E559-N648 WeakPolarHBondContact OE1-CB 3.39Å; E559-N648 PolarHBondContact OE1-ND2 3.28Å; S596-N648 WeakPolarHBondContact CB-O 3.47Å; S596-N648 VanDerWaalsContact OG-C 3.3Å; S596-N648 PolarHBondContact OG-O 2.82Å; S596-N648 VanDerWaalsContact OG-O 3.09Å; W600-N648 WeakPolarHBondContact CH2-O 3.38Å; T646-N648 PolarHBondContact OG1-N 3.34Å |
| 649 | V | 86.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -140.4 | 122.4 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | E559 N583 L585 T597 W600 T646 Y651 H653 | E559-V649 HydrophobicContact CB-CG2 4.1Å; E559-V649 HydrophobicContact CG-CG2 3.86Å; N583-V649 HydrophobicContact CB-CB 4.45Å; L585-V649 HydrophobicContact CD1-CG1 4.28Å; T597-V649 HydrophobicContact CG2-CG1 4.38Å; T597-V649 HydrophobicContact CG2-CG2 4.38Å; W600-V649 HydrophobicContact CH2-CG2 3.4Å; W600-V649 HydrophobicContact CZ3-CG2 3.73Å; T646-V649 WeakPolarHBondContact CG2-O 3.36Å; V649-Y651 PolarHBondContact O-N 2.73Å; V649-H653 HydrophobicContact CG1-CB 4.36Å |
| 650 | E | 87.5 | Confident | 89.3 | Confident | 34 Ų | 34 | 26 Ų | 26 | 16% | 0.159 | 14% | 0.142 | C | C | . | . | trans | -63.2 | 133.5 | -179.8 | -67.6 | 78.1 | -174.4 | 0 | 0 | 110.6 | Y594 S596 T597 I652 H653 | Y594-E650 WeakPolarHBondContact CB-OE1 3.5Å; Y594-E650 VanDerWaalsContact CB-OE2 3.23Å; Y594-E650 WeakPolarHBondContact CB-OE2 3.48Å; Y594-E650 HydrophobicContact CD1-CG 4.31Å; Y594-E650 HydrophobicContact CG-CB 4.32Å; Y594-E650 HydrophobicContact CG-CG 3.97Å; S596-E650 VanDerWaalsContact CB-OE1 3.25Å; S596-E650 WeakPolarHBondContact CB-OE1 3.39Å; S596-E650 PolarHBondContact N-OE1 2.61Å; S596-E650 PolarHBondContact OG-OE1 3.44Å; S596-E650 PolarHBondContact OG-OE2 3.31Å; T597-E650 WeakPolarHBondContact CG2-OE2 3.33Å; T597-E650 PolarHBondContact OG1-OE2 3.05Å; E650-I652 HydrophobicContact CB-CG2 3.59Å; E650-I652 PolarHBondContact O-N 3.1Å; E650-H653 PolarHBondContact O-N 2.88Å; E650-H653 VanDerWaalsContact O-N 3.11Å | ||
| 651 | Y | 90.3 | Very high | 89.1 | Confident | 59 Ų | 59 | 26 Ų | 26 | 23% | 0.231 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -16.2 | -179.3 | 65.6 | -93.8 | 0 | 0 | 0 | 113.5 | I46 S642 L644 V649 H653 S654 L655 | I46-Y651 HydrophobicContact CD1-CE2 4.47Å; S642-Y651 WeakPolarHBondContact OG-CA 3.22Å; S642-Y651 WeakPolarHBondContact OG-CB 3.17Å; L644-Y651 HydrophobicContact CD2-CD1 4.05Å; L644-Y651 HydrophobicContact CD2-CD2 3.76Å; L644-Y651 HydrophobicContact CD2-CE2 4.33Å; L644-Y651 HydrophobicContact CD2-CG 3.62Å; V649-Y651 PolarHBondContact O-N 2.73Å; Y651-H653 PolarHBondContact O-N 2.97Å; Y651-S654 WeakPolarHBondContact O-CA 3.43Å; Y651-S654 VanDerWaalsContact O-CB 3.25Å; Y651-S654 WeakPolarHBondContact O-CB 3.41Å; Y651-S654 PolarHBondContact O-N 3Å; Y651-L655 HydrophobicContact CD2-CD1 3.57Å; Y651-L655 HydrophobicContact CD2-CG 3.92Å; Y651-L655 HydrophobicContact CE2-CD1 3.62Å; Y651-L655 HydrophobicContact CE2-CG 4.47Å; Y651-L655 WeakPolarHBondContact O-CG 3.47Å; Y651-L655 PolarHBondContact O-N 2.83Å |
| 652 | I | 91.5 | Very high | 88.8 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.7 | -36.5 | 174.9 | -170.5 | 52.2 | 0 | 0 | 0 | 113.2 | L34 E35 Y594 E650 S654 L655 K656 | L34-I652 HydrophobicContact CB-CD1 3.53Å; L34-I652 VanDerWaalsContact O-CD1 3.28Å; L34-I652 WeakPolarHBondContact O-CD1 3.28Å; E35-I652 HydrophobicContact CB-CD1 4.33Å; E35-I652 HydrophobicContact CB-CG1 4.5Å; E35-I652 HydrophobicContact CG-CD1 3.83Å; E35-I652 HydrophobicContact CG-CG1 3.8Å; Y594-I652 HydrophobicContact CD1-CG2 4.35Å; Y594-I652 HydrophobicContact CD2-CG2 4.18Å; Y594-I652 HydrophobicContact CE1-CG2 3.78Å; Y594-I652 HydrophobicContact CE2-CG2 3.57Å; Y594-I652 WeakPolarHBondContact OH-CG1 3.35Å; E650-I652 HydrophobicContact CB-CG2 3.59Å; E650-I652 PolarHBondContact O-N 3.1Å; I652-S654 VanDerWaalsContact C-N 3.33Å; I652-S654 PolarHBondContact O-N 2.73Å; I652-L655 PolarHBondContact O-N 2.97Å; I652-K656 HydrophobicContact CD1-CG 4.26Å; I652-K656 HydrophobicContact CG1-CG 4.49Å; I652-K656 PolarHBondContact O-N 3.24Å |
| 653 | H | 94.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 173.8 | -73.9 | -70.4 | 0 | 0 | 0 | 111 | P584 L585 S586 D587 Y594 V649 E650 Y651 L655 L657 | P584-H653 VanDerWaalsContact O-CB 3.22Å; P584-H653 WeakPolarHBondContact O-CB 3.22Å; L585-H653 VanDerWaalsContact CD1-CE1 3.5Å; L585-H653 WeakPolarHBondContact CD1-CE1 2.97Å; L585-H653 VanDerWaalsContact CD1-NE2 3.34Å; L585-H653 WeakPolarHBondContact CD1-NE2 2.94Å; S586-H653 PolarHBondContact N-ND1 2.92Å; S586-H653 VanDerWaalsContact OG-CA 3.29Å; S586-H653 WeakPolarHBondContact OG-CA 3.24Å; S586-H653 WeakPolarHBondContact OG-CB 3.46Å; S586-H653 PolarHBondContact OG-O 3.11Å; D587-H653 WeakPolarHBondContact CB-ND1 3.48Å; D587-H653 PolarHBondContact N-ND1 2.85Å; D587-H653 VanDerWaalsContact N-ND1 3.14Å; D587-H653 PolarHBondContact O-CE1 2.86Å; Y594-H653 AromaticContact CD2-NE2 3.64Å; Y594-H653 AromaticContact CE2-NE2 3.6Å; V649-H653 HydrophobicContact CG1-CB 4.36Å; E650-H653 PolarHBondContact O-N 2.88Å; E650-H653 VanDerWaalsContact O-N 3.11Å; Y651-H653 PolarHBondContact O-N 2.97Å; H653-L655 PolarHBondContact O-N 2.86Å; H653-L657 VanDerWaalsContact O-CB 3.23Å; H653-L657 WeakPolarHBondContact O-CB 3.37Å; H653-L657 PolarHBondContact O-N 2.82Å |
| 654 | S | 95.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 174.8 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | S642 Y651 I652 L658 | S642-S654 WeakPolarHBondContact CB-OG 3.43Å; S642-S654 WeakPolarHBondContact OG-CB 3.43Å; S642-S654 PolarHBondContact OG-OG 2.89Å; Y651-S654 WeakPolarHBondContact O-CA 3.43Å; Y651-S654 VanDerWaalsContact O-CB 3.25Å; Y651-S654 WeakPolarHBondContact O-CB 3.41Å; Y651-S654 PolarHBondContact O-N 3Å; I652-S654 VanDerWaalsContact C-N 3.33Å; I652-S654 PolarHBondContact O-N 2.73Å; S654-L658 VanDerWaalsContact O-CB 3.26Å; S654-L658 WeakPolarHBondContact O-CB 3.31Å; S654-L658 PolarHBondContact O-N 2.99Å |
| 655 | L | 94.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.5 | -49.7 | -179.5 | -60.9 | -175.3 | 0 | 0 | 0 | 112.4 | L34 P42 F45 I46 Y651 I652 H653 L657 L658 A659 F682 | L34-L655 HydrophobicContact CB-CB 4.42Å; L34-L655 HydrophobicContact CD1-CB 3.93Å; L34-L655 HydrophobicContact CD2-CB 4.44Å; L34-L655 HydrophobicContact CD2-CD1 4.4Å; P42-L655 HydrophobicContact CB-CD1 4.4Å; F45-L655 HydrophobicContact CD1-CD2 4.06Å; F45-L655 HydrophobicContact CE1-CB 4.4Å; F45-L655 HydrophobicContact CE1-CD2 4.09Å; I46-L655 HydrophobicContact CD1-CD1 4.2Å; I46-L655 HydrophobicContact CD1-CD2 4.2Å; I46-L655 HydrophobicContact CG1-CD1 4.36Å; I46-L655 HydrophobicContact CG1-CD2 3.62Å; Y651-L655 HydrophobicContact CD2-CD1 3.57Å; Y651-L655 HydrophobicContact CD2-CG 3.92Å; Y651-L655 HydrophobicContact CE2-CD1 3.62Å; Y651-L655 HydrophobicContact CE2-CG 4.47Å; Y651-L655 WeakPolarHBondContact O-CG 3.47Å; Y651-L655 PolarHBondContact O-N 2.83Å; I652-L655 PolarHBondContact O-N 2.97Å; H653-L655 PolarHBondContact O-N 2.86Å; L655-L657 VanDerWaalsContact C-N 3.32Å; L655-L657 PolarHBondContact O-N 2.9Å; L655-L658 PolarHBondContact O-N 2.91Å; L655-A659 WeakPolarHBondContact O-CB 3.26Å; L655-A659 PolarHBondContact O-N 2.88Å; L655-F682 HydrophobicContact CD2-CD1 4.29Å; L655-F682 HydrophobicContact CD2-CE1 3.34Å; L655-F682 HydrophobicContact CD2-CE2 4.34Å; L655-F682 HydrophobicContact CD2-CZ 3.38Å; L655-F682 HydrophobicContact CG-CE1 4.38Å |
| 656 | K | 94.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 177.5 | -74.6 | -168.8 | 178.6 | -173.6 | 0 | 111 | D29 L34 E35 D587 H590 I622 I652 A659 T660 | D29-K656 IonicContact OD1-NZ 2.6Å; D29-K656 IonicContact OD2-NZ 3.76Å; D29-K656 PolarHBondContact OD2-NZ 3.07Å; L34-K656 HydrophobicContact CD1-CG 4.43Å; E35-K656 WeakPolarHBondContact OE1-CE 3.25Å; E35-K656 IonicContact OE1-NZ 3.59Å; E35-K656 PolarHBondContact OE1-NZ 2.78Å; D587-K656 HydrophobicContact CB-CD 4.49Å; D587-K656 WeakPolarHBondContact OD2-CD 3.45Å; D587-K656 IonicContact OD2-NZ 2.88Å; D587-K656 PolarHBondContact OD2-NZ 2.71Å; H590-K656 PolarHBondContact ND1-NZ 3.21Å; I622-K656 HydrophobicContact CD1-CD 4.38Å; I622-K656 HydrophobicContact CG2-CB 4.41Å; I652-K656 HydrophobicContact CD1-CG 4.26Å; I652-K656 HydrophobicContact CG1-CG 4.49Å; I652-K656 PolarHBondContact O-N 3.24Å; K656-A659 PolarHBondContact O-N 2.88Å; K656-T660 VanDerWaalsContact O-CB 3.29Å; K656-T660 WeakPolarHBondContact O-CB 3.46Å; K656-T660 PolarHBondContact O-N 2.81Å; K656-T660 PolarHBondContact O-OG1 2.95Å |
| 657 | L | 96.7 | Very high | 88 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 178 | -178.4 | 61.6 | 0 | 0 | 0 | 111.9 | V566 L581 P584 P621 I622 I640 H653 L655 T660 L661 | V566-L657 HydrophobicContact CB-CD2 4.49Å; V566-L657 HydrophobicContact CG1-CD2 4.48Å; V566-L657 HydrophobicContact CG2-CD1 4.01Å; V566-L657 HydrophobicContact CG2-CD2 4.1Å; L581-L657 HydrophobicContact CD1-CD2 3.74Å; P584-L657 HydrophobicContact CB-CD2 4.49Å; P584-L657 HydrophobicContact CG-CD2 4.09Å; P621-L657 HydrophobicContact CB-CD1 4.07Å; I622-L657 HydrophobicContact CG2-CB 4.21Å; I622-L657 HydrophobicContact CG2-CD1 4.11Å; I640-L657 HydrophobicContact CD1-CB 4.22Å; I640-L657 HydrophobicContact CD1-CD2 3.86Å; I640-L657 HydrophobicContact CD1-CG 3.84Å; I640-L657 HydrophobicContact CG1-CD2 4.39Å; H653-L657 VanDerWaalsContact O-CB 3.23Å; H653-L657 WeakPolarHBondContact O-CB 3.37Å; H653-L657 PolarHBondContact O-N 2.82Å; L655-L657 VanDerWaalsContact C-N 3.32Å; L655-L657 PolarHBondContact O-N 2.9Å; L657-T660 PolarHBondContact O-N 2.93Å; L657-L661 HydrophobicContact CD1-CD1 3.87Å; L657-L661 HydrophobicContact CD1-CG 3.92Å; L657-L661 HydrophobicContact CG-CD1 3.88Å; L657-L661 HydrophobicContact CG-CG 4.32Å; L657-L661 WeakPolarHBondContact O-CB 3.44Å; L657-L661 WeakPolarHBondContact O-CG 3.19Å; L657-L661 PolarHBondContact O-N 2.87Å |
| 658 | L | 95.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 178.5 | -177.6 | 60.3 | 0 | 0 | 0 | 111.6 | F45 Q49 I640 S654 L655 T660 L661 Q662 I678 F682 | F45-L658 HydrophobicContact CE1-CD2 4.25Å; F45-L658 HydrophobicContact CZ-CD2 4.24Å; F45-L658 HydrophobicContact CZ-CG 4.29Å; Q49-L658 HydrophobicContact CB-CD2 4.01Å; Q49-L658 HydrophobicContact CG-CD2 3.57Å; I640-L658 HydrophobicContact CD1-CB 3.9Å; I640-L658 HydrophobicContact CD1-CD1 4.19Å; S654-L658 VanDerWaalsContact O-CB 3.26Å; S654-L658 WeakPolarHBondContact O-CB 3.31Å; S654-L658 PolarHBondContact O-N 2.99Å; L655-L658 PolarHBondContact O-N 2.91Å; L658-T660 VanDerWaalsContact C-N 3.35Å; L658-T660 PolarHBondContact O-N 2.84Å; L658-L661 PolarHBondContact O-N 2.85Å; L658-Q662 HydrophobicContact CD1-CG 4.23Å; L658-Q662 WeakPolarHBondContact O-CB 3.44Å; L658-Q662 VanDerWaalsContact O-CG 3.31Å; L658-Q662 WeakPolarHBondContact O-CG 3.36Å; L658-Q662 PolarHBondContact O-N 3.31Å; L658-I678 HydrophobicContact CD1-CG2 3.88Å; L658-F682 HydrophobicContact CD2-CE2 4.07Å; L658-F682 HydrophobicContact CD2-CZ 3.98Å |
| 659 | A | 94.7 | Very high | 86.4 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | I12 Y31 L34 F45 L655 K656 N663 | I12-A659 HydrophobicContact CG2-CB 4.48Å; Y31-A659 HydrophobicContact CD1-CB 3.6Å; Y31-A659 HydrophobicContact CD2-CB 4.17Å; Y31-A659 HydrophobicContact CE1-CB 3.73Å; Y31-A659 HydrophobicContact CE2-CB 4.29Å; Y31-A659 HydrophobicContact CG-CB 3.85Å; Y31-A659 PolarHBondContact OH-O 3.12Å; L34-A659 HydrophobicContact CD1-CB 4.03Å; F45-A659 HydrophobicContact CZ-CB 3.99Å; L655-A659 WeakPolarHBondContact O-CB 3.26Å; L655-A659 PolarHBondContact O-N 2.88Å; K656-A659 PolarHBondContact O-N 2.88Å; A659-N663 VanDerWaalsContact O-CB 3.25Å; A659-N663 WeakPolarHBondContact O-CB 3.45Å; A659-N663 PolarHBondContact O-N 3.43Å |
| 660 | T | 93.9 | Very high | 84.7 | Confident | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.055 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -49.8 | 178.5 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | Y31 I622 V625 K656 L657 L658 Q662 N663 E664 | Y31-T660 VanDerWaalsContact CD2-OG1 3.28Å; Y31-T660 WeakPolarHBondContact CD2-OG1 3.29Å; Y31-T660 HydrophobicContact CE2-CG2 4.43Å; Y31-T660 VanDerWaalsContact CE2-OG1 3.31Å; Y31-T660 WeakPolarHBondContact CE2-OG1 2.89Å; I622-T660 HydrophobicContact CB-CG2 4.33Å; I622-T660 WeakPolarHBondContact O-CG2 3.28Å; V625-T660 HydrophobicContact CG2-CG2 3.83Å; K656-T660 VanDerWaalsContact O-CB 3.29Å; K656-T660 WeakPolarHBondContact O-CB 3.46Å; K656-T660 PolarHBondContact O-N 2.81Å; K656-T660 PolarHBondContact O-OG1 2.95Å; L657-T660 PolarHBondContact O-N 2.93Å; L658-T660 VanDerWaalsContact C-N 3.35Å; L658-T660 PolarHBondContact O-N 2.84Å; T660-Q662 PolarHBondContact O-N 3.12Å; T660-N663 PolarHBondContact O-N 2.8Å; T660-E664 HydrophobicContact CG2-CG 3.83Å; T660-E664 WeakPolarHBondContact O-CB 3.45Å; T660-E664 VanDerWaalsContact O-CG 3.31Å; T660-E664 WeakPolarHBondContact O-CG 3.17Å; T660-E664 PolarHBondContact O-N 2.95Å |
| 661 | L | 93 | Very high | 83.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -45.7 | -180 | -73.1 | 175.2 | 0 | 0 | 0 | 111.8 | V625 Y635 V638 I640 L657 L658 N663 L665 I678 | V625-L661 HydrophobicContact CG1-CD2 3.96Å; V625-L661 HydrophobicContact CG2-CD2 3.8Å; Y635-L661 HydrophobicContact CE1-CD2 3.84Å; V638-L661 HydrophobicContact CG1-CD1 4.12Å; V638-L661 HydrophobicContact CG2-CD1 4.34Å; I640-L661 HydrophobicContact CD1-CD1 4.32Å; L657-L661 HydrophobicContact CD1-CD1 3.87Å; L657-L661 HydrophobicContact CD1-CG 3.92Å; L657-L661 HydrophobicContact CG-CD1 3.88Å; L657-L661 HydrophobicContact CG-CG 4.32Å; L657-L661 WeakPolarHBondContact O-CB 3.44Å; L657-L661 WeakPolarHBondContact O-CG 3.19Å; L657-L661 PolarHBondContact O-N 2.87Å; L658-L661 PolarHBondContact O-N 2.85Å; L661-N663 VanDerWaalsContact C-N 3.32Å; L661-N663 PolarHBondContact O-N 2.93Å; L661-L665 HydrophobicContact CB-CD1 4.31Å; L661-L665 HydrophobicContact CD2-CD1 3.93Å; L661-L665 WeakPolarHBondContact O-CB 3.49Å; L661-L665 VanDerWaalsContact O-CG 3.28Å; L661-L665 WeakPolarHBondContact O-CG 3.45Å; L661-L665 PolarHBondContact O-N 3.07Å; L661-L665 VanDerWaalsContact O-N 3.12Å; L661-I678 HydrophobicContact CB-CD1 4.11Å; L661-I678 HydrophobicContact CB-CG2 4.02Å; L661-I678 HydrophobicContact CD1-CG2 4.46Å |
| 662 | Q | 91 | Very high | 81.5 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 178.2 | -73.9 | 177.4 | -21 | 0 | 0 | 111.9 | I12 L658 T660 H666 I678 | I12-Q662 HydrophobicContact CD1-CB 4.03Å; L658-Q662 HydrophobicContact CD1-CG 4.23Å; L658-Q662 WeakPolarHBondContact O-CB 3.44Å; L658-Q662 VanDerWaalsContact O-CG 3.31Å; L658-Q662 WeakPolarHBondContact O-CG 3.36Å; L658-Q662 PolarHBondContact O-N 3.31Å; T660-Q662 PolarHBondContact O-N 3.12Å; Q662-H666 VanDerWaalsContact O-CB 3.28Å; Q662-H666 WeakPolarHBondContact O-CB 3.41Å; Q662-H666 PolarHBondContact O-ND1 3.27Å; Q662-I678 HydrophobicContact CG-CB 4.11Å; Q662-I678 HydrophobicContact CG-CG2 3.92Å; Q662-I678 PolarHBondContact NE2-O 2.83Å |
| 663 | N | 87.9 | Confident | 80.2 | Confident | 19 Ų | 19 | 41.2 Ų | 41.2 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.6 | -57.9 | 179.1 | -176.9 | 76.1 | 0 | 0 | 0 | 112.6 | I12 Y31 A659 T660 L661 L665 H666 N667 | I12-N663 HydrophobicContact CG2-CB 4.33Å; Y31-N663 WeakPolarHBondContact OH-CB 3.38Å; Y31-N663 PolarHBondContact OH-ND2 2.96Å; A659-N663 VanDerWaalsContact O-CB 3.25Å; A659-N663 WeakPolarHBondContact O-CB 3.45Å; A659-N663 PolarHBondContact O-N 3.43Å; T660-N663 PolarHBondContact O-N 2.8Å; L661-N663 VanDerWaalsContact C-N 3.32Å; L661-N663 PolarHBondContact O-N 2.93Å; N663-L665 VanDerWaalsContact C-N 3.33Å; N663-L665 PolarHBondContact O-N 2.63Å; N663-H666 PolarHBondContact O-N 3.07Å; N663-N667 VanDerWaalsContact O-CB 3.24Å; N663-N667 WeakPolarHBondContact O-CB 3.3Å; N663-N667 PolarHBondContact O-N 2.66Å; N663-N667 PolarHBondContact OD1-ND2 3.25Å |
| 664 | E | 86.3 | Confident | 79.3 | Confident | 51 Ų | 51 | 41.4 Ų | 41.4 | 24% | 0.238 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | -171.9 | -63.4 | -55.1 | 130.3 | 0 | 0 | 110.9 | V625 T660 H666 N668 | V625-E664 HydrophobicContact CB-CB 4.34Å; V625-E664 HydrophobicContact CG1-CB 3.87Å; T660-E664 HydrophobicContact CG2-CG 3.83Å; T660-E664 WeakPolarHBondContact O-CB 3.45Å; T660-E664 VanDerWaalsContact O-CG 3.31Å; T660-E664 WeakPolarHBondContact O-CG 3.17Å; T660-E664 PolarHBondContact O-N 2.95Å; E664-H666 PolarHBondContact O-N 3.24Å; E664-N668 WeakPolarHBondContact O-CB 3.38Å; E664-N668 PolarHBondContact O-N 2.81Å; E664-N668 PolarHBondContact O-ND2 3.44Å |
| 665 | L | 84.8 | Confident | 78.3 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -77.1 | -20.1 | -178.9 | -58.3 | 172.4 | 0 | 0 | 0 | 113.5 | V625 L628 Y635 L661 N663 Q674 I678 | V625-L665 HydrophobicContact CG1-CD2 3.75Å; V625-L665 HydrophobicContact CG1-CG 3.95Å; L628-L665 HydrophobicContact CD1-CD2 3.91Å; L628-L665 HydrophobicContact CD2-CD2 4.11Å; L628-L665 HydrophobicContact CG-CD2 3.83Å; Y635-L665 HydrophobicContact CD1-CD1 3.46Å; Y635-L665 VanDerWaalsContact CD1-CD1 3.46Å; Y635-L665 HydrophobicContact CD2-CD1 4.25Å; Y635-L665 HydrophobicContact CD2-CD2 4.18Å; Y635-L665 HydrophobicContact CE1-CD1 4.11Å; Y635-L665 HydrophobicContact CG-CD1 3.54Å; Y635-L665 HydrophobicContact CG-CD2 4.08Å; Y635-L665 HydrophobicContact CG-CG 4.5Å; L661-L665 HydrophobicContact CB-CD1 4.31Å; L661-L665 HydrophobicContact CD2-CD1 3.93Å; L661-L665 WeakPolarHBondContact O-CB 3.49Å; L661-L665 VanDerWaalsContact O-CG 3.28Å; L661-L665 WeakPolarHBondContact O-CG 3.45Å; L661-L665 PolarHBondContact O-N 3.07Å; L661-L665 VanDerWaalsContact O-N 3.12Å; N663-L665 VanDerWaalsContact C-N 3.33Å; N663-L665 PolarHBondContact O-N 2.63Å; L665-Q674 HydrophobicContact CB-CB 4.11Å; L665-Q674 HydrophobicContact CB-CG 4.11Å; L665-Q674 WeakPolarHBondContact O-CB 3.47Å; L665-I678 HydrophobicContact CB-CD1 4.37Å; L665-I678 HydrophobicContact CD1-CD1 3.56Å |
| 666 | H | 76.4 | Confident | 78 | Confident | 57 Ų | 57 | 46.4 Ų | 46.4 | 26% | 0.264 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -93.8 | -32.4 | 175 | -65.8 | 169.9 | 0 | 0 | 0 | 113.4 | Q662 N663 E664 | Q662-H666 VanDerWaalsContact O-CB 3.28Å; Q662-H666 WeakPolarHBondContact O-CB 3.41Å; Q662-H666 PolarHBondContact O-ND1 3.27Å; N663-H666 PolarHBondContact O-N 3.07Å; E664-H666 PolarHBondContact O-N 3.24Å |
| 667 | N | 68.9 | Low | 77.8 | Confident | 114 Ų | 114 | 46.4 Ų | 46.4 | 61% | 0.61 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -98.9 | 3.1 | -170.8 | -69.6 | -29.4 | 0 | 0 | 0 | 115.2 | N663 G669 | N663-N667 VanDerWaalsContact O-CB 3.24Å; N663-N667 WeakPolarHBondContact O-CB 3.3Å; N663-N667 PolarHBondContact O-N 2.66Å; N663-N667 PolarHBondContact OD1-ND2 3.25Å; N667-G669 PolarHBondContact O-N 3.47Å |
| 668 | N | 60.6 | Low | 77.6 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -67.8 | 26.1 | -177.5 | -94.5 | -29.6 | 0 | 0 | 0 | 116.4 | E664 C670 | E664-N668 WeakPolarHBondContact O-CB 3.38Å; E664-N668 PolarHBondContact O-N 2.81Å; E664-N668 PolarHBondContact O-ND2 3.44Å; N668-C670 PolarHBondContact O-N 2.79Å |
| 669 | G | 50.5 | Low | 77.7 | Confident | 76 Ų | 76 | 46.4 Ų | 46.4 | 78% | 0.784 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 67.1 | 24.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | N667 | N667-G669 PolarHBondContact O-N 3.47Š|
| 670 | C | 51 | Low | 77.7 | Confident | 65 Ų | 65 | 46.4 Ų | 46.4 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -136.1 | 162.7 | -167.7 | -91.3 | 0 | 0 | 0 | 0 | 117.2 | S629 N668 L672 | S629-C670 WeakPolarHBondContact CB-SG 3.39Å; N668-C670 PolarHBondContact O-N 2.79Å; C670-L672 VanDerWaalsContact C-N 3.26Å; C670-L672 PolarHBondContact O-N 3.04Å |
| 671 | T | 55.8 | Low | 77.8 | Confident | 146 Ų | 146 | 46.1 Ų | 46.1 | 90% | 0.896 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -65.6 | -23.1 | 176 | 44.5 | 0 | 0 | 0 | 0 | 113.8 | K673 | T671-K673 PolarHBondContact O-N 2.98Š|
| 672 | L | 55 | Low | 77.9 | Confident | 101 Ų | 101 | 46.1 Ų | 46.1 | 53% | 0.529 | 26% | 0.264 | S | S | . | . | trans | -88.7 | 90.1 | 173.3 | -77.3 | 159.3 | 0 | 0 | 0 | 109.3 | C670 | C670-L672 VanDerWaalsContact C-N 3.26Å; C670-L672 PolarHBondContact O-N 3.04Å | ||
| 673 | K | 62.7 | Low | 77.8 | Confident | 174 Ų | 174 | 48.9 Ų | 48.9 | 76% | 0.757 | 28% | 0.276 | S | S | * | . | trans | -72.4 | 132.2 | 169.1 | -66.8 | -171.3 | 176.9 | -170 | 0 | 109 | T671 T675 | T671-K673 PolarHBondContact O-N 2.98Å; K673-T675 WeakPolarHBondContact O-CG2 3.37Å; K673-T675 PolarHBondContact O-N 2.86Å | ||
| 674 | Q | 75.7 | Confident | 77.6 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 2% | 0.023 | 29% | 0.292 | C | S | . | . | trans | -54 | 124.8 | 168.2 | 168.8 | 63.5 | -16 | 0 | 0 | 109.2 | L628 Y635 L665 N676 | L628-Q674 HydrophobicContact CD1-CB 4.05Å; Y635-Q674 PolarHBondContact O-NE2 2.92Å; Y635-Q674 PolarHBondContact O-OE1 2.86Å; L665-Q674 HydrophobicContact CB-CB 4.11Å; L665-Q674 HydrophobicContact CB-CG 4.11Å; L665-Q674 WeakPolarHBondContact O-CB 3.47Å; Q674-N676 PolarHBondContact NE2-O 2.84Å | ||
| 675 | T | 75.3 | Confident | 77.3 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | trans | -111 | -2.5 | -178.7 | 60.7 | 0 | 0 | 0 | 0 | 113 | K673 I724 | K673-T675 WeakPolarHBondContact O-CG2 3.37Å; K673-T675 PolarHBondContact O-N 2.86Å; T675-I724 WeakPolarHBondContact O-CD1 3.11Å | ||
| 676 | N | 86.8 | Confident | 77.1 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -93.2 | 136.9 | 174.3 | -62 | -42.1 | 0 | 0 | 0 | 109.4 | Y635 A637 Q674 | Y635-N676 WeakPolarHBondContact O-CB 3.45Å; Y635-N676 PolarHBondContact O-ND2 3.32Å; A637-N676 HydrophobicContact CB-CB 3.95Å; Q674-N676 PolarHBondContact NE2-O 2.84Å |
| 677 | I | 90.6 | Very high | 77.5 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | trans | -67.3 | 148.6 | -176.8 | 51.1 | 152.9 | 0 | 0 | 0 | 112.3 | F56 A637 V638 L679 F699 I703 V723 I724 | F56-I677 HydrophobicContact CD1-CD1 3.84Å; F56-I677 HydrophobicContact CD2-CD1 3.94Å; F56-I677 HydrophobicContact CE1-CD1 3.38Å; F56-I677 HydrophobicContact CE2-CD1 3.51Å; F56-I677 HydrophobicContact CE2-CG1 4.41Å; F56-I677 HydrophobicContact CE2-CG2 4.34Å; F56-I677 HydrophobicContact CG-CD1 4.09Å; F56-I677 HydrophobicContact CZ-CD1 3.2Å; F56-I677 HydrophobicContact CZ-CG1 4.31Å; A637-I677 CarbonylContact C-O 3.55Å; A637-I677 WeakPolarHBondContact CA-O 3.27Å; A637-I677 HydrophobicContact CB-CG1 4.25Å; V638-I677 PolarHBondContact N-O 3.22Å; I677-L679 HydrophobicContact CB-CG 4.49Å; I677-L679 HydrophobicContact CD1-CD1 3.57Å; I677-L679 HydrophobicContact CD1-CG 3.95Å; I677-F699 HydrophobicContact CD1-CD2 3.89Å; I677-F699 HydrophobicContact CD1-CE2 3.53Å; I677-F699 HydrophobicContact CG1-CE2 4.15Å; I677-I703 HydrophobicContact CD1-CD1 3.77Å; I677-I703 HydrophobicContact CD1-CG1 4.49Å; I677-I703 HydrophobicContact CG1-CD1 3.61Å; I677-V723 HydrophobicContact CG2-CG1 4.46Å; I677-I724 HydrophobicContact CG2-CD1 4.48Å; I677-I724 HydrophobicContact CG2-CG1 3.75Å | ||
| 678 | I | 94.1 | Very high | 78.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 106.7 | 177.1 | -53.3 | 178.5 | 0 | 0 | 0 | 107.7 | V638 L658 L661 Q662 L665 Q727 | V638-I678 HydrophobicContact CB-CB 4.45Å; V638-I678 HydrophobicContact CB-CG1 4.44Å; V638-I678 HydrophobicContact CB-CG2 4.04Å; V638-I678 HydrophobicContact CG1-CG2 4.41Å; V638-I678 HydrophobicContact CG2-CG1 4.45Å; V638-I678 WeakPolarHBondContact O-CA 3.31Å; L658-I678 HydrophobicContact CD1-CG2 3.88Å; L661-I678 HydrophobicContact CB-CD1 4.11Å; L661-I678 HydrophobicContact CB-CG2 4.02Å; L661-I678 HydrophobicContact CD1-CG2 4.46Å; Q662-I678 HydrophobicContact CG-CB 4.11Å; Q662-I678 HydrophobicContact CG-CG2 3.92Å; Q662-I678 PolarHBondContact NE2-O 2.83Å; L665-I678 HydrophobicContact CB-CD1 4.37Å; L665-I678 HydrophobicContact CD1-CD1 3.56Å; I678-Q727 PolarHBondContact O-NE2 2.54Å |
| 679 | L | 96 | Very high | 79.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 146 | -170.2 | -63.8 | -178.1 | 0 | 0 | 0 | 112.2 | T53 F56 V638 L639 I640 I677 F699 | T53-L679 HydrophobicContact CG2-CB 4.29Å; T53-L679 HydrophobicContact CG2-CD1 4.39Å; F56-L679 HydrophobicContact CB-CD1 3.93Å; F56-L679 HydrophobicContact CD1-CD1 3.46Å; F56-L679 VanDerWaalsContact CD1-CD1 3.46Å; F56-L679 HydrophobicContact CE1-CD1 4.15Å; F56-L679 HydrophobicContact CG-CD1 3.77Å; V638-L679 PolarHBondContact O-N 2.96Å; L639-L679 HydrophobicContact CD1-CB 3.97Å; I640-L679 PolarHBondContact N-O 3.17Å; I677-L679 HydrophobicContact CB-CG 4.49Å; I677-L679 HydrophobicContact CD1-CD1 3.57Å; I677-L679 HydrophobicContact CD1-CG 3.95Å; L679-F699 HydrophobicContact CD1-CD2 4.24Å; L679-F699 HydrophobicContact CD1-CE2 4.49Å |
| 680 | G | 96.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 121 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T53 I640 | T53-G680 WeakPolarHBondContact CB-O 3.29Å; T53-G680 PolarHBondContact OG1-N 3.23Å; T53-G680 PolarHBondContact OG1-O 2.76Å; I640-G680 CarbonylContact O-C 3.56Å; I640-G680 WeakPolarHBondContact O-CA 3.46Å |
| 681 | W | 96 | Very high | 83.5 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.011 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.1 | 172.2 | -171.7 | 96.8 | 0 | 0 | 0 | 109 | T53 L639 I640 L641 S642 K683 K692 S695 | T53-W681 HydrophobicContact CG2-CB 4.13Å; L639-W681 HydrophobicContact CD1-CB 4.2Å; I640-W681 PolarHBondContact O-N 2.99Å; L641-W681 CarbonylContact C-O 3.59Å; L641-W681 WeakPolarHBondContact CA-O 3.41Å; L641-W681 HydrophobicContact CB-CE3 4.2Å; L641-W681 HydrophobicContact CD2-CB 4.35Å; L641-W681 HydrophobicContact CD2-CD2 4.24Å; L641-W681 HydrophobicContact CD2-CE3 3.99Å; L641-W681 HydrophobicContact CD2-CG 4.41Å; L641-W681 HydrophobicContact CG-CB 4.33Å; S642-W681 PolarHBondContact N-O 2.81Å; W681-K683 HydrophobicContact CH2-CB 3.88Å; W681-K683 HydrophobicContact CH2-CG 4.03Å; W681-K683 HydrophobicContact CZ3-CB 3.68Å; W681-K683 HydrophobicContact CZ3-CG 4.29Å; W681-K692 HydrophobicContact CE3-CG 4.37Å; W681-K692 HydrophobicContact CH2-CB 3.86Å; W681-K692 HydrophobicContact CH2-CG 4.22Å; W681-K692 HydrophobicContact CZ2-CB 4.41Å; W681-K692 HydrophobicContact CZ3-CB 4.09Å; W681-K692 HydrophobicContact CZ3-CD 4.14Å; W681-K692 HydrophobicContact CZ3-CG 3.93Å; W681-S695 PolarHBondContact NE1-OG 2.88Å |
| 682 | F | 93.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.1 | -178.6 | -59.9 | -86.5 | 0 | 0 | 0 | 108.1 | I46 Q49 M50 S642 L644 L655 L658 T684 | I46-F682 HydrophobicContact CG1-CD1 4.49Å; I46-F682 HydrophobicContact CG2-CB 3.94Å; I46-F682 HydrophobicContact CG2-CD2 3.93Å; I46-F682 HydrophobicContact CG2-CG 3.88Å; Q49-F682 HydrophobicContact CB-CE2 3.96Å; M50-F682 WeakPolarHBondContact CE-O 3.48Å; M50-F682 HydrophobicContact CG-CB 4.19Å; M50-F682 HydrophobicContact CG-CD2 4.03Å; M50-F682 HydrophobicContact SD-CB 4.09Å; M50-F682 HydrophobicContact SD-CD2 4.23Å; M50-F682 PolarHBondContact SD-N 3.17Å; S642-F682 CarbonylContact O-C 3.47Å; S642-F682 WeakPolarHBondContact O-CA 3.13Å; L644-F682 HydrophobicContact CD2-CD1 4.04Å; L655-F682 HydrophobicContact CD2-CD1 4.29Å; L655-F682 HydrophobicContact CD2-CE1 3.34Å; L655-F682 HydrophobicContact CD2-CE2 4.34Å; L655-F682 HydrophobicContact CD2-CZ 3.38Å; L655-F682 HydrophobicContact CG-CE1 4.38Å; L658-F682 HydrophobicContact CD2-CE2 4.07Å; L658-F682 HydrophobicContact CD2-CZ 3.98Å; F682-T684 PolarHBondContact O-N 2.82Å |
| 683 | K | 90.5 | Very high | 87.2 | Confident | 66 Ų | 66 | 51.1 Ų | 51.1 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 122.9 | -179.7 | -169.5 | -165.6 | -179 | -165.1 | 0 | 109.3 | S642 D643 W681 Q687 | S642-K683 PolarHBondContact O-N 2.81Å; D643-K683 HydrophobicContact CB-CB 4.39Å; D643-K683 HydrophobicContact CB-CD 4.26Å; D643-K683 VanDerWaalsContact CG-CD 3.41Å; D643-K683 WeakPolarHBondContact OD2-CD 3.36Å; D643-K683 IonicContact OD2-NZ 3.51Å; D643-K683 PolarHBondContact OD2-NZ 3.46Å; W681-K683 HydrophobicContact CH2-CB 3.88Å; W681-K683 HydrophobicContact CH2-CG 4.03Å; W681-K683 HydrophobicContact CZ3-CB 3.68Å; W681-K683 HydrophobicContact CZ3-CG 4.29Å; K683-Q687 WeakPolarHBondContact CE-O 3.23Å; K683-Q687 HydrophobicContact CG-CB 4.14Å |
| 684 | T | 83.5 | Confident | 88.8 | Confident | 69 Ų | 69 | 42.9 Ų | 42.9 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -97.7 | 165 | 171.8 | 62.8 | 0 | 0 | 0 | 0 | 110.7 | M50 F682 G686 Q687 | M50-T684 HydrophobicContact CE-CG2 4.24Å; F682-T684 PolarHBondContact O-N 2.82Å; T684-G686 PolarHBondContact O-N 3.42Å; T684-Q687 WeakPolarHBondContact O-CB 3.4Å; T684-Q687 PolarHBondContact O-N 2.81Å; T684-Q687 VanDerWaalsContact O-N 3.13Å; T684-Q687 WeakPolarHBondContact OG1-CG 3.49Å; T684-Q687 PolarHBondContact OG1-OE1 3.37Å |
| 685 | E | 79.3 | Confident | 89.7 | Confident | 186 Ų | 186 | 42.8 Ų | 42.8 | 87% | 0.869 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 140 | 172.5 | -163.4 | 174 | -176 | 0 | 0 | 111.1 | Q687 | E685-Q687 VanDerWaalsContact C-N 3.26Å; E685-Q687 PolarHBondContact O-N 3.22Å |
| 686 | G | 80.5 | Confident | 90.7 | Very high | 80 Ų | 80 | 38.8 Ų | 38.8 | 83% | 0.825 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -15.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | T684 | T684-G686 PolarHBondContact O-N 3.42Š|
| 687 | Q | 84 | Confident | 91.2 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | trans | -78.2 | 130.9 | 176.1 | -70 | -179 | -25.8 | 0 | 0 | 112 | K683 T684 E685 D691 | K683-Q687 WeakPolarHBondContact CE-O 3.23Å; K683-Q687 HydrophobicContact CG-CB 4.14Å; T684-Q687 WeakPolarHBondContact O-CB 3.4Å; T684-Q687 PolarHBondContact O-N 2.81Å; T684-Q687 VanDerWaalsContact O-N 3.13Å; T684-Q687 WeakPolarHBondContact OG1-CG 3.49Å; T684-Q687 PolarHBondContact OG1-OE1 3.37Å; E685-Q687 VanDerWaalsContact C-N 3.26Å; E685-Q687 PolarHBondContact O-N 3.22Å; Q687-D691 HydrophobicContact CB-CB 4.45Å | ||
| 688 | S | 87.1 | Confident | 91.4 | Very high | 49 Ų | 49 | 37.8 Ų | 37.8 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | trans | -93.5 | 172.7 | -179.1 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | I690 D691 K692 | S688-I690 PolarHBondContact O-N 3.13Å; S688-I690 WeakPolarHBondContact OG-CB 3Å; S688-I690 PolarHBondContact OG-N 2.82Å; S688-D691 WeakPolarHBondContact CA-OD2 3.16Å; S688-D691 WeakPolarHBondContact CB-OD2 3.5Å; S688-D691 PolarHBondContact N-OD2 3.2Å; S688-D691 PolarHBondContact O-N 2.86Å; S688-D691 VanDerWaalsContact O-N 3.17Å; S688-D691 PolarHBondContact OG-N 3.22Å; S688-D691 PolarHBondContact OG-OD2 3.26Å; S688-K692 PolarHBondContact O-N 2.93Å | ||
| 689 | K | 87 | Confident | 91.5 | Very high | 165 Ų | 165 | 37.9 Ų | 37.9 | 72% | 0.717 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -61.6 | -31.2 | 170.1 | -173.2 | 175.5 | 178.9 | 178.7 | 0 | 112.1 | D691 K692 V693 | K689-D691 VanDerWaalsContact C-N 3.29Å; K689-D691 PolarHBondContact O-N 3.03Å; K689-K692 PolarHBondContact O-N 3.08Å; K689-V693 WeakPolarHBondContact O-CG2 3.3Å; K689-V693 PolarHBondContact O-N 2.9Å |
| 690 | I | 91.5 | Very high | 91.5 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 176 | -69.1 | 161.1 | 0 | 0 | 0 | 109.6 | R67 L70 Q71 S688 K692 V693 A694 | R67-I690 HydrophobicContact CB-CG2 4.13Å; R67-I690 HydrophobicContact CG-CG2 4.22Å; L70-I690 HydrophobicContact CB-CG1 4.3Å; L70-I690 HydrophobicContact CB-CG2 3.99Å; L70-I690 HydrophobicContact CD1-CG2 4.08Å; Q71-I690 HydrophobicContact CG-CD1 3.71Å; S688-I690 PolarHBondContact O-N 3.13Å; S688-I690 WeakPolarHBondContact OG-CB 3Å; S688-I690 PolarHBondContact OG-N 2.82Å; I690-K692 PolarHBondContact O-N 2.93Å; I690-V693 PolarHBondContact O-N 2.84Å; I690-A694 WeakPolarHBondContact O-CB 3.44Å; I690-A694 PolarHBondContact O-N 3.18Å |
| 691 | D | 93 | Very high | 91.3 | Very high | 33 Ų | 33 | 37.9 Ų | 37.9 | 18% | 0.176 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | -178.8 | -55.5 | -57.1 | 0 | 0 | 0 | 112.4 | R67 Q687 S688 K689 V693 A694 S695 | R67-D691 IonicContact CZ-OD1 2.66Å; R67-D691 IonicContact NE-OD1 3.27Å; R67-D691 IonicContact NH1-OD1 2.68Å; R67-D691 PolarHBondContact NH1-OD1 3.21Å; Q687-D691 HydrophobicContact CB-CB 4.45Å; S688-D691 WeakPolarHBondContact CA-OD2 3.16Å; S688-D691 WeakPolarHBondContact CB-OD2 3.5Å; S688-D691 PolarHBondContact N-OD2 3.2Å; S688-D691 PolarHBondContact O-N 2.86Å; S688-D691 VanDerWaalsContact O-N 3.17Å; S688-D691 PolarHBondContact OG-N 3.22Å; S688-D691 PolarHBondContact OG-OD2 3.26Å; K689-D691 VanDerWaalsContact C-N 3.29Å; K689-D691 PolarHBondContact O-N 3.03Å; D691-V693 PolarHBondContact O-N 3.18Å; D691-A694 PolarHBondContact O-N 3.31Å; D691-S695 PolarHBondContact O-N 3.14Å; D691-S695 PolarHBondContact O-OG 3.24Å |
| 692 | K | 94 | Very high | 91.2 | Very high | 43 Ų | 43 | 37.8 Ų | 37.8 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.8 | -48.8 | 173.3 | -172.1 | 172.6 | 66.2 | 170 | 0 | 111.7 | D582 L641 W681 S688 K689 I690 S695 I696 | D582-K692 IonicContact OD1-NZ 3.65Å; D582-K692 PolarHBondContact OD1-NZ 2.83Å; D582-K692 WeakPolarHBondContact OD2-CE 3.31Å; D582-K692 IonicContact OD2-NZ 2.55Å; D582-K692 PolarHBondContact OD2-NZ 2.97Å; L641-K692 HydrophobicContact CB-CD 4.47Å; L641-K692 HydrophobicContact CD2-CD 4.08Å; L641-K692 HydrophobicContact CD2-CG 3.46Å; L641-K692 VanDerWaalsContact CD2-CG 3.46Å; W681-K692 HydrophobicContact CE3-CG 4.37Å; W681-K692 HydrophobicContact CH2-CB 3.86Å; W681-K692 HydrophobicContact CH2-CG 4.22Å; W681-K692 HydrophobicContact CZ2-CB 4.41Å; W681-K692 HydrophobicContact CZ3-CB 4.09Å; W681-K692 HydrophobicContact CZ3-CD 4.14Å; W681-K692 HydrophobicContact CZ3-CG 3.93Å; S688-K692 PolarHBondContact O-N 2.93Å; K689-K692 PolarHBondContact O-N 3.08Å; I690-K692 PolarHBondContact O-N 2.93Å; K692-S695 PolarHBondContact O-N 2.97Å; K692-I696 HydrophobicContact CG-CD1 4.47Å; K692-I696 WeakPolarHBondContact O-CG1 3.26Å; K692-I696 PolarHBondContact O-N 3.33Å |
| 693 | V | 94.8 | Very high | 91.1 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 9% | 0.085 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.5 | -37.7 | -177.7 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | L70 N492 K689 I690 D691 S695 I696 C697 | L70-V693 HydrophobicContact CD1-CB 3.7Å; L70-V693 HydrophobicContact CD1-CG1 3.61Å; L70-V693 HydrophobicContact CD2-CB 4.41Å; L70-V693 HydrophobicContact CD2-CG1 3.76Å; L70-V693 HydrophobicContact CG-CG1 4.32Å; N492-V693 HydrophobicContact CB-CG1 3.88Å; N492-V693 HydrophobicContact CB-CG2 4.32Å; N492-V693 VanDerWaalsContact OD1-CG1 3.25Å; N492-V693 WeakPolarHBondContact OD1-CG1 3.28Å; K689-V693 WeakPolarHBondContact O-CG2 3.3Å; K689-V693 PolarHBondContact O-N 2.9Å; I690-V693 PolarHBondContact O-N 2.84Å; D691-V693 PolarHBondContact O-N 3.18Å; V693-S695 VanDerWaalsContact C-N 3.31Å; V693-S695 PolarHBondContact O-N 3.27Å; V693-I696 WeakPolarHBondContact O-CB 3.37Å; V693-I696 PolarHBondContact O-N 3.03Å; V693-C697 PolarHBondContact O-N 2.73Å; V693-C697 PolarHBondContact O-SG 2.97Å |
| 694 | A | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R67 L70 I690 D691 C697 S698 | R67-A694 HydrophobicContact CG-CB 3.74Å; L70-A694 HydrophobicContact CD1-CB 4.48Å; I690-A694 WeakPolarHBondContact O-CB 3.44Å; I690-A694 PolarHBondContact O-N 3.18Å; D691-A694 PolarHBondContact O-N 3.31Å; A694-C697 PolarHBondContact O-N 2.92Å; A694-S698 VanDerWaalsContact O-CB 3.3Å; A694-S698 WeakPolarHBondContact O-CB 3.48Å; A694-S698 PolarHBondContact O-N 3.27Å; A694-S698 PolarHBondContact O-OG 2.9Å |
| 695 | S | 95.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 173 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | W681 D691 K692 V693 C697 S698 F699 | W681-S695 PolarHBondContact NE1-OG 2.88Å; D691-S695 PolarHBondContact O-N 3.14Å; D691-S695 PolarHBondContact O-OG 3.24Å; K692-S695 PolarHBondContact O-N 2.97Å; V693-S695 VanDerWaalsContact C-N 3.31Å; V693-S695 PolarHBondContact O-N 3.27Å; S695-C697 PolarHBondContact O-N 3.18Å; S695-S698 PolarHBondContact O-N 3.33Å; S695-F699 WeakPolarHBondContact O-CB 3.44Å; S695-F699 PolarHBondContact O-N 3.1Å |
| 696 | I | 96.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.1 | -50 | 173.2 | -73.8 | 169.3 | 0 | 0 | 0 | 110.8 | I580 L639 L641 K692 V693 S698 F699 I700 | I580-I696 HydrophobicContact CD1-CG2 3.87Å; I580-I696 HydrophobicContact CG2-CD1 4.23Å; I580-I696 HydrophobicContact CG2-CG1 4.05Å; L639-I696 HydrophobicContact CD2-CG1 4.1Å; L641-I696 HydrophobicContact CD1-CD1 4.11Å; L641-I696 HydrophobicContact CD1-CG1 4.03Å; L641-I696 HydrophobicContact CD2-CD1 4Å; L641-I696 HydrophobicContact CD2-CG1 3.76Å; K692-I696 HydrophobicContact CG-CD1 4.47Å; K692-I696 WeakPolarHBondContact O-CG1 3.26Å; K692-I696 PolarHBondContact O-N 3.33Å; V693-I696 WeakPolarHBondContact O-CB 3.37Å; V693-I696 PolarHBondContact O-N 3.03Å; I696-S698 VanDerWaalsContact C-N 3.32Å; I696-S698 PolarHBondContact O-N 3.09Å; I696-F699 WeakPolarHBondContact O-CB 3.23Å; I696-F699 PolarHBondContact O-N 3.47Å; I696-I700 HydrophobicContact CG2-CD1 3.9Å; I696-I700 VanDerWaalsContact O-CG1 3.31Å; I696-I700 WeakPolarHBondContact O-CG1 3.26Å; I696-I700 PolarHBondContact O-N 2.72Å |
| 697 | C | 95.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.6 | -36.6 | -178.2 | -62.8 | 0 | 0 | 0 | 0 | 112 | Y66 L495 F500 V693 A694 S695 I700 Q701 | Y66-C697 HydrophobicContact CD2-CB 3.66Å; Y66-C697 HydrophobicContact CE2-CB 3.84Å; Y66-C697 HydrophobicContact CG-CB 4.04Å; L495-C697 HydrophobicContact CD2-CB 3.96Å; L495-C697 WeakPolarHBondContact CD2-SG 3.35Å; F500-C697 HydrophobicContact CE2-CB 4.3Å; F500-C697 HydrophobicContact CZ-CB 4.41Å; F500-C697 WeakPolarHBondContact CZ-O 3.43Å; V693-C697 PolarHBondContact O-N 2.73Å; V693-C697 PolarHBondContact O-SG 2.97Å; A694-C697 PolarHBondContact O-N 2.92Å; S695-C697 PolarHBondContact O-N 3.18Å; C697-I700 PolarHBondContact O-N 3.02Å; C697-Q701 WeakPolarHBondContact O-CB 3.45Å; C697-Q701 PolarHBondContact O-N 3.06Å |
| 698 | S | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 174.9 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | Q63 A694 S695 I696 Q701 M702 | Q63-S698 WeakPolarHBondContact CG-OG 3.28Å; A694-S698 VanDerWaalsContact O-CB 3.3Å; A694-S698 WeakPolarHBondContact O-CB 3.48Å; A694-S698 PolarHBondContact O-N 3.27Å; A694-S698 PolarHBondContact O-OG 2.9Å; S695-S698 PolarHBondContact O-N 3.33Å; I696-S698 VanDerWaalsContact C-N 3.32Å; I696-S698 PolarHBondContact O-N 3.09Å; S698-Q701 PolarHBondContact O-N 3.13Å; S698-M702 VanDerWaalsContact O-CB 3.3Å; S698-M702 WeakPolarHBondContact O-CB 3.37Å; S698-M702 WeakPolarHBondContact O-CG 3.5Å; S698-M702 PolarHBondContact O-N 2.63Å |
| 699 | F | 95.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 172.5 | 172.9 | -99.8 | 0 | 0 | 0 | 111.6 | F56 L57 A578 I580 A637 L639 I677 L679 S695 I696 Q701 M702 I703 | F56-F699 HydrophobicContact CE1-CD2 4.14Å; L57-F699 HydrophobicContact CD2-CB 4.09Å; A578-F699 HydrophobicContact CB-CE1 3.9Å; A578-F699 HydrophobicContact CB-CZ 4.25Å; I580-F699 HydrophobicContact CD1-CD1 4.02Å; I580-F699 HydrophobicContact CD1-CE1 4.27Å; I580-F699 HydrophobicContact CG1-CD1 4.21Å; I580-F699 HydrophobicContact CG1-CE1 4.01Å; A637-F699 HydrophobicContact CB-CE2 4.41Å; A637-F699 HydrophobicContact CB-CZ 3.9Å; L639-F699 HydrophobicContact CB-CD1 3.89Å; L639-F699 HydrophobicContact CB-CD2 4.08Å; L639-F699 HydrophobicContact CB-CE1 3.8Å; L639-F699 HydrophobicContact CB-CE2 3.98Å; L639-F699 HydrophobicContact CB-CG 4.02Å; L639-F699 HydrophobicContact CB-CZ 3.83Å; L639-F699 HydrophobicContact CD2-CB 3.85Å; L639-F699 HydrophobicContact CD2-CD1 4.1Å; L639-F699 HydrophobicContact CD2-CG 3.94Å; L639-F699 HydrophobicContact CG-CG 4.49Å; I677-F699 HydrophobicContact CD1-CD2 3.89Å; I677-F699 HydrophobicContact CD1-CE2 3.53Å; I677-F699 HydrophobicContact CG1-CE2 4.15Å; L679-F699 HydrophobicContact CD1-CD2 4.24Å; L679-F699 HydrophobicContact CD1-CE2 4.49Å; S695-F699 WeakPolarHBondContact O-CB 3.44Å; S695-F699 PolarHBondContact O-N 3.1Å; I696-F699 WeakPolarHBondContact O-CB 3.23Å; I696-F699 PolarHBondContact O-N 3.47Å; F699-Q701 PolarHBondContact O-N 3.03Å; F699-M702 CarbonylContact O-C 3.57Å; F699-M702 PolarHBondContact O-N 3.41Å; F699-I703 HydrophobicContact CD1-CG1 4.4Å; F699-I703 HydrophobicContact CD2-CG1 4.04Å; F699-I703 HydrophobicContact CE1-CG1 4.15Å; F699-I703 HydrophobicContact CE2-CD1 4.2Å; F699-I703 HydrophobicContact CE2-CG1 3.77Å; F699-I703 HydrophobicContact CG-CG1 4.37Å; F699-I703 HydrophobicContact CZ-CD1 4.46Å; F699-I703 HydrophobicContact CZ-CG1 3.83Å; F699-I703 WeakPolarHBondContact O-CB 3.42Å; F699-I703 VanDerWaalsContact O-CG1 3.3Å; F699-I703 WeakPolarHBondContact O-CG1 3.42Å; F699-I703 PolarHBondContact O-N 3.03Å |
| 700 | I | 95.5 | Very high | 83.7 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.6 | -49.9 | 177.7 | -69.2 | 173.2 | 0 | 0 | 0 | 111.3 | K474 F496 F500 I554 I580 I696 C697 M702 I703 L704 | K474-I700 HydrophobicContact CD-CD1 4.1Å; F496-I700 HydrophobicContact CD2-CD1 4.25Å; F496-I700 HydrophobicContact CD2-CG2 4.45Å; F496-I700 HydrophobicContact CE2-CD1 4.42Å; F496-I700 HydrophobicContact CE2-CG2 4.04Å; F500-I700 HydrophobicContact CD1-CG2 4.11Å; F500-I700 HydrophobicContact CE1-CB 4.49Å; F500-I700 HydrophobicContact CE1-CG2 3.8Å; F500-I700 HydrophobicContact CZ-CB 4.39Å; F500-I700 HydrophobicContact CZ-CG2 4.04Å; I554-I700 HydrophobicContact CD1-CB 4.34Å; I554-I700 HydrophobicContact CD1-CD1 4.1Å; I554-I700 HydrophobicContact CD1-CG1 3.83Å; I554-I700 HydrophobicContact CD1-CG2 3.76Å; I580-I700 HydrophobicContact CD1-CD1 3.86Å; I580-I700 HydrophobicContact CD1-CG1 3.76Å; I696-I700 HydrophobicContact CG2-CD1 3.9Å; I696-I700 VanDerWaalsContact O-CG1 3.31Å; I696-I700 WeakPolarHBondContact O-CG1 3.26Å; I696-I700 PolarHBondContact O-N 2.72Å; C697-I700 PolarHBondContact O-N 3.02Å; I700-M702 VanDerWaalsContact C-N 3.27Å; I700-M702 PolarHBondContact O-N 3.45Å; I700-I703 PolarHBondContact O-N 3.05Å; I700-I703 VanDerWaalsContact O-N 3.17Å; I700-L704 HydrophobicContact CG2-CD1 3.84Å; I700-L704 HydrophobicContact CG2-CG 4.32Å; I700-L704 PolarHBondContact O-N 2.91Å |
| 701 | Q | 93.7 | Very high | 81.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55 | -46.4 | 176.7 | -174.1 | 76.8 | 37.4 | 0 | 0 | 111.3 | Y62 Y66 F500 C697 S698 F699 I703 S705 I706 R708 | Y62-Q701 HydrophobicContact CD2-CG 4.02Å; Y62-Q701 HydrophobicContact CE2-CG 4.38Å; Y66-Q701 WeakPolarHBondContact OH-CG 3.4Å; Y66-Q701 PolarHBondContact OH-OE1 3.14Å; F500-Q701 HydrophobicContact CE1-CB 3.84Å; F500-Q701 HydrophobicContact CE1-CG 4.44Å; F500-Q701 HydrophobicContact CZ-CB 4.05Å; C697-Q701 WeakPolarHBondContact O-CB 3.45Å; C697-Q701 PolarHBondContact O-N 3.06Å; S698-Q701 PolarHBondContact O-N 3.13Å; F699-Q701 PolarHBondContact O-N 3.03Å; Q701-I703 VanDerWaalsContact C-N 3.33Å; Q701-I703 PolarHBondContact O-N 3.35Å; Q701-S705 PolarHBondContact O-N 2.95Å; Q701-I706 PolarHBondContact NE2-O 3.02Å; Q701-R708 VanDerWaalsContact OE1-CZ 3.32Å |
| 702 | M | 92.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.9 | -23 | -178 | -70.7 | -64.5 | -65.3 | 0 | 0 | 113.4 | F56 C60 S698 F699 I700 F716 R720 | F56-M702 HydrophobicContact CE1-CB 3.6Å; F56-M702 HydrophobicContact CE1-CG 4.11Å; F56-M702 HydrophobicContact CE2-CE 4.36Å; F56-M702 HydrophobicContact CZ-CB 3.48Å; F56-M702 VanDerWaalsContact CZ-CB 3.48Å; F56-M702 HydrophobicContact CZ-CE 4.29Å; F56-M702 HydrophobicContact CZ-CG 4.24Å; C60-M702 HydrophobicContact CB-CG 3.94Å; C60-M702 HydrophobicContact CB-SD 4.19Å; S698-M702 VanDerWaalsContact O-CB 3.3Å; S698-M702 WeakPolarHBondContact O-CB 3.37Å; S698-M702 WeakPolarHBondContact O-CG 3.5Å; S698-M702 PolarHBondContact O-N 2.63Å; F699-M702 CarbonylContact O-C 3.57Å; F699-M702 PolarHBondContact O-N 3.41Å; I700-M702 VanDerWaalsContact C-N 3.27Å; I700-M702 PolarHBondContact O-N 3.45Å; M702-F716 HydrophobicContact CE-CD1 3.73Å; M702-F716 HydrophobicContact CE-CE1 4.28Å; M702-F716 HydrophobicContact SD-CD1 3.43Å; M702-F716 WeakPolarHBondContact SD-CD1 3.42Å; M702-F716 HydrophobicContact SD-CE1 3.45Å; M702-F716 WeakPolarHBondContact SD-CE1 3.44Å; M702-R720 PolarHBondContact O-NE 3.48Å; M702-R720 PolarHBondContact O-NH2 2.94Å |
| 703 | I | 91.6 | Very high | 77.2 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -93.6 | -37.3 | -179.3 | -70.2 | -60 | 0 | 0 | 0 | 113.6 | F56 K577 A578 A637 I677 F699 I700 Q701 S705 R720 | F56-I703 HydrophobicContact CZ-CD1 4.43Å; K577-I703 HydrophobicContact CD-CG2 4.5Å; K577-I703 HydrophobicContact CG-CG2 3.8Å; A578-I703 HydrophobicContact CB-CG2 4.14Å; A637-I703 HydrophobicContact CB-CD1 3.51Å; A637-I703 HydrophobicContact CB-CG1 3.97Å; A637-I703 HydrophobicContact CB-CG2 4.14Å; I677-I703 HydrophobicContact CD1-CD1 3.77Å; I677-I703 HydrophobicContact CD1-CG1 4.49Å; I677-I703 HydrophobicContact CG1-CD1 3.61Å; F699-I703 HydrophobicContact CD1-CG1 4.4Å; F699-I703 HydrophobicContact CD2-CG1 4.04Å; F699-I703 HydrophobicContact CE1-CG1 4.15Å; F699-I703 HydrophobicContact CE2-CD1 4.2Å; F699-I703 HydrophobicContact CE2-CG1 3.77Å; F699-I703 HydrophobicContact CG-CG1 4.37Å; F699-I703 HydrophobicContact CZ-CD1 4.46Å; F699-I703 HydrophobicContact CZ-CG1 3.83Å; F699-I703 WeakPolarHBondContact O-CB 3.42Å; F699-I703 VanDerWaalsContact O-CG1 3.3Å; F699-I703 WeakPolarHBondContact O-CG1 3.42Å; F699-I703 PolarHBondContact O-N 3.03Å; I700-I703 PolarHBondContact O-N 3.05Å; I700-I703 VanDerWaalsContact O-N 3.17Å; Q701-I703 VanDerWaalsContact C-N 3.33Å; Q701-I703 PolarHBondContact O-N 3.35Å; I703-S705 PolarHBondContact O-N 3.04Å; I703-R720 VanDerWaalsContact O-CZ 3.29Å; I703-R720 PolarHBondContact O-NH1 2.97Å; I703-R720 PolarHBondContact O-NH2 2.91Å |
| 704 | L | 90 | Very high | 75.2 | Confident | 20 Ų | 20 | 41 Ų | 41 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -79.9 | -5.4 | 177.2 | -62.3 | -175.5 | 0 | 0 | 0 | 112.6 | P472 I554 K577 I700 I706 | P472-L704 HydrophobicContact CB-CD1 3.74Å; P472-L704 HydrophobicContact CG-CD1 4.15Å; I554-L704 HydrophobicContact CD1-CD1 3.94Å; I554-L704 HydrophobicContact CD1-CG 4.38Å; K577-L704 HydrophobicContact CB-CD2 4.36Å; K577-L704 HydrophobicContact CG-CD2 3.84Å; I700-L704 HydrophobicContact CG2-CD1 3.84Å; I700-L704 HydrophobicContact CG2-CG 4.32Å; I700-L704 PolarHBondContact O-N 2.91Å; L704-I706 HydrophobicContact CB-CD1 3.51Å; L704-I706 HydrophobicContact CB-CG1 3.66Å; L704-I706 HydrophobicContact CD1-CD1 3.66Å; L704-I706 HydrophobicContact CG-CD1 4.24Å; L704-I706 PolarHBondContact O-N 2.78Å; L704-I706 VanDerWaalsContact O-N 3.1Å |
| 705 | S | 79.6 | Confident | 73.2 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 20% | 0.203 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 30.4 | -176.8 | -60.6 | 0 | 0 | 0 | 0 | 113 | Q701 I703 S707 R720 | Q701-S705 PolarHBondContact O-N 2.95Å; I703-S705 PolarHBondContact O-N 3.04Å; S705-S707 PolarHBondContact O-N 3.22Å; S705-S707 VanDerWaalsContact O-N 3.16Å; S705-R720 PolarHBondContact OG-NH2 2.82Å |
| 706 | I | 67.1 | Low | 71.3 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 19% | 0.19 | 24% | 0.238 | C | C | . | . | trans | -69.3 | 116.9 | -178.8 | -66.7 | 165.7 | 0 | 0 | 0 | 106.4 | P472 F500 Q701 L704 R708 | P472-I706 HydrophobicContact CB-CD1 4.43Å; P472-I706 HydrophobicContact CG-CD1 3.67Å; F500-I706 HydrophobicContact CD1-CD1 3.71Å; F500-I706 HydrophobicContact CE1-CD1 4.47Å; Q701-I706 PolarHBondContact NE2-O 3.02Å; L704-I706 HydrophobicContact CB-CD1 3.51Å; L704-I706 HydrophobicContact CB-CG1 3.66Å; L704-I706 HydrophobicContact CD1-CD1 3.66Å; L704-I706 HydrophobicContact CG-CD1 4.24Å; L704-I706 PolarHBondContact O-N 2.78Å; L704-I706 VanDerWaalsContact O-N 3.1Å; I706-R708 HydrophobicContact CG2-CG 4.25Å | ||
| 707 | S | 58.6 | Low | 69.4 | Low | 54 Ų | 54 | 50 Ų | 50 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | trans | -93.1 | 114.1 | 169.9 | 63.2 | 0 | 0 | 0 | 0 | 107.7 | S705 H709 S711 | S705-S707 PolarHBondContact O-N 3.22Å; S705-S707 VanDerWaalsContact O-N 3.16Å; S707-H709 WeakPolarHBondContact CB-O 3.25Å; S707-S711 WeakPolarHBondContact CB-O 3.21Å | ||
| 708 | R | 56.8 | Low | 67.4 | Low | 58 Ų | 58 | 53.1 Ų | 53.1 | 22% | 0.219 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -84 | -23.7 | 175.7 | -64.4 | -171.7 | -167.9 | 165.6 | 6 | 113 | E65 Y66 K499 F500 Q701 I706 | E65-R708 IonicContact OE1-NH1 3.86Å; Y66-R708 PolarHBondContact OH-NH2 3.22Å; K499-R708 VanDerWaalsContact C-NH2 3.3Å; K499-R708 PolarHBondContact O-NE 2.83Å; K499-R708 PolarHBondContact O-NH2 3.42Å; F500-R708 VanDerWaalsContact CE2-NH2 3.29Å; Q701-R708 VanDerWaalsContact OE1-CZ 3.32Å; I706-R708 HydrophobicContact CG2-CG 4.25Å |
| 709 | H | 44.5 | Very low | 65.5 | Low | 141 Ų | 141 | 54.6 Ų | 54.6 | 65% | 0.653 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -125.5 | 176.9 | 170.5 | -67.5 | -56.4 | 0 | 0 | 0 | 109.5 | S707 S711 | S707-H709 WeakPolarHBondContact CB-O 3.25Å; H709-S711 PolarHBondContact O-N 3.35Å; H709-S711 PolarHBondContact O-OG 3.28Å |
| 710 | K | 41.2 | Very low | 63.7 | Low | 223 Ų | 223 | 55.6 Ų | 55.6 | 97% | 0.97 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -60.4 | 27.8 | 179.7 | -69.2 | -177.5 | 175.6 | 178.1 | 0 | 114.8 | ||
| 711 | S | 42.1 | Very low | 61.9 | Low | 34 Ų | 34 | 62.3 Ų | 62.3 | 24% | 0.238 | 32% | 0.318 | C | S | . | . | trans | -70.1 | 130.4 | 166.3 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | S707 H709 P713 | S707-S711 WeakPolarHBondContact CB-O 3.21Å; H709-S711 PolarHBondContact O-N 3.35Å; H709-S711 PolarHBondContact O-OG 3.28Å; S711-P713 WeakPolarHBondContact O-CD 3.46Å | ||
| 712 | N | 46.5 | Very low | 59.8 | Low | 91 Ų | 91 | 66.2 Ų | 66.2 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | trans | -71.4 | 120.4 | -174.1 | -170.4 | -18.4 | 0 | 0 | 0 | 110 | N714 Q715 | N712-N714 PolarHBondContact O-N 3.46Å; N712-N714 WeakPolarHBondContact OD1-CB 3.43Å; N712-N714 PolarHBondContact OD1-N 3.32Å; N712-Q715 WeakPolarHBondContact O-CB 3.35Å; N712-Q715 PolarHBondContact O-N 2.56Å | ||
| 713 | P | 51.8 | Low | 58 | Low | 56 Ų | 56 | 66.3 Ų | 66.3 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -51.8 | -27.5 | 177.5 | -26.2 | 33.2 | 0 | 0 | 0 | 113.8 | S711 Q715 F716 N717 | S711-P713 WeakPolarHBondContact O-CD 3.46Å; P713-Q715 PolarHBondContact O-N 3.42Å; P713-F716 PolarHBondContact O-N 3.25Å; P713-N717 PolarHBondContact O-N 3.34Å |
| 714 | N | 53.6 | Low | 56.4 | Low | 108 Ų | 108 | 67.5 Ų | 67.5 | 58% | 0.578 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.8 | -27.2 | 177.4 | -69.9 | -21.6 | 0 | 0 | 0 | 113.4 | N712 N717 S718 | N712-N714 PolarHBondContact O-N 3.46Å; N712-N714 WeakPolarHBondContact OD1-CB 3.43Å; N712-N714 PolarHBondContact OD1-N 3.32Å; N714-N717 PolarHBondContact O-N 3.09Å; N714-S718 PolarHBondContact O-N 3.39Å; N714-S718 PolarHBondContact O-OG 3.06Å |
| 715 | Q | 52.7 | Low | 54.8 | Low | 116 Ų | 116 | 72.8 Ų | 72.8 | 54% | 0.542 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67 | -40.7 | 176.3 | -166.9 | 175.4 | 6.3 | 0 | 0 | 111 | N712 P713 S718 L719 | N712-Q715 WeakPolarHBondContact O-CB 3.35Å; N712-Q715 PolarHBondContact O-N 2.56Å; P713-Q715 PolarHBondContact O-N 3.42Å; Q715-S718 PolarHBondContact O-OG 3.36Å; Q715-S718 VanDerWaalsContact O-OG 3.05Å; Q715-L719 HydrophobicContact CG-CD1 4.08Å; Q715-L719 WeakPolarHBondContact O-CB 3.39Å; Q715-L719 VanDerWaalsContact O-CD1 3.31Å; Q715-L719 WeakPolarHBondContact O-CD1 3.3Å; Q715-L719 WeakPolarHBondContact O-CG 2.85Å; Q715-L719 PolarHBondContact O-N 2.64Å; Q715-L719 VanDerWaalsContact O-N 3.17Å |
| 716 | F | 55.7 | Low | 53.5 | Low | 8 Ų | 8 | 73.6 Ų | 73.6 | 4% | 0.035 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 176.1 | -64.3 | -65.9 | 0 | 0 | 0 | 111.8 | M702 P713 L719 R720 | M702-F716 HydrophobicContact CE-CD1 3.73Å; M702-F716 HydrophobicContact CE-CE1 4.28Å; M702-F716 HydrophobicContact SD-CD1 3.43Å; M702-F716 WeakPolarHBondContact SD-CD1 3.42Å; M702-F716 HydrophobicContact SD-CE1 3.45Å; M702-F716 WeakPolarHBondContact SD-CE1 3.44Å; P713-F716 PolarHBondContact O-N 3.25Å; F716-L719 PolarHBondContact O-N 3.37Å; F716-R720 WeakPolarHBondContact O-CG 3.22Å; F716-R720 PolarHBondContact O-N 2.87Å |
| 717 | N | 56.7 | Low | 52.8 | Low | 69 Ų | 69 | 74.5 Ų | 74.5 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 179.6 | -72.8 | -20.2 | 0 | 0 | 0 | 113.1 | P713 N714 K721 | P713-N717 PolarHBondContact O-N 3.34Å; N714-N717 PolarHBondContact O-N 3.09Å; N717-K721 PolarHBondContact O-N 2.84Å |
| 718 | S | 53.9 | Low | 52.5 | Low | 66 Ų | 66 | 75.6 Ų | 75.6 | 46% | 0.462 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 176.5 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | N714 Q715 K721 V722 | N714-S718 PolarHBondContact O-N 3.39Å; N714-S718 PolarHBondContact O-OG 3.06Å; Q715-S718 PolarHBondContact O-OG 3.36Å; Q715-S718 VanDerWaalsContact O-OG 3.05Å; S718-K721 WeakPolarHBondContact O-CB 3.26Å; S718-K721 PolarHBondContact O-N 3.38Å; S718-V722 PolarHBondContact O-N 2.8Å |
| 719 | L | 56.8 | Low | 52.3 | Low | 31 Ų | 31 | 76.5 Ų | 76.5 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.8 | -41 | 178.5 | -70.9 | 169.5 | 0 | 0 | 0 | 112.7 | Y59 Q715 F716 K721 V722 V723 | Y59-L719 HydrophobicContact CD1-CD1 3.86Å; Y59-L719 HydrophobicContact CD1-CD2 3.95Å; Y59-L719 HydrophobicContact CD1-CG 4.49Å; Y59-L719 HydrophobicContact CE1-CD1 4.43Å; Y59-L719 HydrophobicContact CE1-CD2 3.67Å; Y59-L719 HydrophobicContact CG-CD1 4.14Å; Y59-L719 HydrophobicContact CG-CD2 4.48Å; Q715-L719 HydrophobicContact CG-CD1 4.08Å; Q715-L719 WeakPolarHBondContact O-CB 3.39Å; Q715-L719 VanDerWaalsContact O-CD1 3.31Å; Q715-L719 WeakPolarHBondContact O-CD1 3.3Å; Q715-L719 WeakPolarHBondContact O-CG 2.85Å; Q715-L719 PolarHBondContact O-N 2.64Å; Q715-L719 VanDerWaalsContact O-N 3.17Å; F716-L719 PolarHBondContact O-N 3.37Å; L719-K721 VanDerWaalsContact C-N 3.25Å; L719-K721 PolarHBondContact O-N 2.7Å; L719-V722 PolarHBondContact O-N 3.42Å; L719-V722 VanDerWaalsContact O-N 3.08Å; L719-V723 PolarHBondContact O-N 3.41Å |
| 720 | R | 56.4 | Low | 52.7 | Low | 23 Ų | 23 | 72.9 Ų | 72.9 | 9% | 0.087 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -53.2 | -45.8 | 172.1 | -76.6 | -175.2 | -162 | 165.8 | 21.3 | 111.1 | F56 M702 I703 S705 F716 V722 V723 I724 | F56-R720 HydrophobicContact CE2-CG 4.17Å; M702-R720 PolarHBondContact O-NE 3.48Å; M702-R720 PolarHBondContact O-NH2 2.94Å; I703-R720 VanDerWaalsContact O-CZ 3.29Å; I703-R720 PolarHBondContact O-NH1 2.97Å; I703-R720 PolarHBondContact O-NH2 2.91Å; S705-R720 PolarHBondContact OG-NH2 2.82Å; F716-R720 WeakPolarHBondContact O-CG 3.22Å; F716-R720 PolarHBondContact O-N 2.87Å; R720-V722 VanDerWaalsContact C-N 3.28Å; R720-V722 PolarHBondContact O-N 3.06Å; R720-V723 PolarHBondContact O-N 3.11Å; R720-I724 HydrophobicContact CB-CD1 4.09Å; R720-I724 WeakPolarHBondContact O-CB 3.34Å; R720-I724 WeakPolarHBondContact O-CD1 3.49Å; R720-I724 WeakPolarHBondContact O-CG1 3.3Å; R720-I724 PolarHBondContact O-N 2.76Å |
| 721 | K | 57.6 | Low | 53.4 | Low | 142 Ų | 142 | 64.1 Ų | 64.1 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60 | -34.9 | 179.2 | -71 | -178.7 | 178.6 | -177.6 | 0 | 113.1 | N717 S718 L719 N725 | N717-K721 PolarHBondContact O-N 2.84Å; S718-K721 WeakPolarHBondContact O-CB 3.26Å; S718-K721 PolarHBondContact O-N 3.38Å; L719-K721 VanDerWaalsContact C-N 3.25Å; L719-K721 PolarHBondContact O-N 2.7Å; K721-N725 VanDerWaalsContact O-CB 3.27Å; K721-N725 WeakPolarHBondContact O-CB 3.24Å; K721-N725 PolarHBondContact O-N 3.28Å; K721-N725 PolarHBondContact O-ND2 2.86Å |
| 722 | V | 49.9 | Very low | 54.1 | Low | 82 Ų | 82 | 65.9 Ų | 65.9 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 177.4 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | S718 L719 R720 N725 S726 | S718-V722 PolarHBondContact O-N 2.8Å; L719-V722 PolarHBondContact O-N 3.42Å; L719-V722 VanDerWaalsContact O-N 3.08Å; R720-V722 VanDerWaalsContact C-N 3.28Å; R720-V722 PolarHBondContact O-N 3.06Å; V722-N725 PolarHBondContact O-N 3.35Å; V722-S726 PolarHBondContact O-N 3.2Å |
| 723 | V | 54.6 | Low | 54.6 | Low | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.5 | -44.2 | 179 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | F56 I677 L719 R720 N725 S726 Q727 | F56-V723 HydrophobicContact CB-CG1 4.42Å; F56-V723 HydrophobicContact CB-CG2 4.41Å; F56-V723 HydrophobicContact CD2-CB 4.33Å; F56-V723 HydrophobicContact CD2-CG1 4.35Å; F56-V723 HydrophobicContact CD2-CG2 4.07Å; I677-V723 HydrophobicContact CG2-CG1 4.46Å; L719-V723 PolarHBondContact O-N 3.41Å; R720-V723 PolarHBondContact O-N 3.11Å; V723-N725 VanDerWaalsContact C-N 3.28Å; V723-N725 PolarHBondContact O-N 2.87Å; V723-S726 WeakPolarHBondContact O-CA 3.46Å; V723-S726 WeakPolarHBondContact O-CB 3.47Å; V723-S726 PolarHBondContact O-N 3.46Å; V723-S726 PolarHBondContact O-OG 3.44Å; V723-Q727 PolarHBondContact O-N 3.5Å |
| 724 | I | 57.4 | Low | 54.8 | Low | 28 Ų | 28 | 64.9 Ų | 64.9 | 14% | 0.144 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 175.8 | -64.1 | 154.3 | 0 | 0 | 0 | 111.3 | T675 I677 R720 S726 Q727 | T675-I724 WeakPolarHBondContact O-CD1 3.11Å; I677-I724 HydrophobicContact CG2-CD1 4.48Å; I677-I724 HydrophobicContact CG2-CG1 3.75Å; R720-I724 HydrophobicContact CB-CD1 4.09Å; R720-I724 WeakPolarHBondContact O-CB 3.34Å; R720-I724 WeakPolarHBondContact O-CD1 3.49Å; R720-I724 WeakPolarHBondContact O-CG1 3.3Å; R720-I724 PolarHBondContact O-N 2.76Å; I724-S726 PolarHBondContact O-N 3.49Å; I724-Q727 PolarHBondContact O-N 3.49Å |
| 725 | N | 56.4 | Low | 54.9 | Low | 132 Ų | 132 | 61.5 Ų | 61.5 | 71% | 0.706 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -71.6 | -16.7 | 177.1 | -73.2 | -21 | 0 | 0 | 0 | 113.5 | K721 V722 V723 | K721-N725 VanDerWaalsContact O-CB 3.27Å; K721-N725 WeakPolarHBondContact O-CB 3.24Å; K721-N725 PolarHBondContact O-N 3.28Å; K721-N725 PolarHBondContact O-ND2 2.86Å; V722-N725 PolarHBondContact O-N 3.35Å; V723-N725 VanDerWaalsContact C-N 3.28Å; V723-N725 PolarHBondContact O-N 2.87Å |
| 726 | S | 54 | Low | 55.1 | Low | 45 Ų | 45 | 57 Ų | 57 | 32% | 0.315 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -92.5 | -20.1 | 175.8 | 75.9 | 0 | 0 | 0 | 0 | 113.4 | H8 V722 V723 I724 | H8-S726 PolarHBondContact CE1-O 3.38Å; H8-S726 PolarHBondContact ND1-O 3.22Å; V722-S726 PolarHBondContact O-N 3.2Å; V723-S726 WeakPolarHBondContact O-CA 3.46Å; V723-S726 WeakPolarHBondContact O-CB 3.47Å; V723-S726 PolarHBondContact O-N 3.46Å; V723-S726 PolarHBondContact O-OG 3.44Å; I724-S726 PolarHBondContact O-N 3.49Å |
| 727 | Q | 51.3 | Low | 55 | Low | 57 Ų | 57 | 61.5 Ų | 61.5 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | trans | -80.7 | 0 | 165.8 | -61.3 | -168.2 | -48.9 | 0 | 0 | 109.3 | I678 V723 I724 | I678-Q727 PolarHBondContact O-NE2 2.54Å; V723-Q727 PolarHBondContact O-N 3.5Å; I724-Q727 PolarHBondContact O-N 3.49Å |
Retrieved 727 of 727 residues in 316 ms
(Link to these results)