| 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 | 36.9 | Very low | 60.9 | Low | 241 Ų | 241 | 127 Ų | 127 | 100% | 1.187 | 72% | 0.72 | S | S | * | * | 0 | 98.9 | 0 | -83 | 136.2 | 129.2 | 0 | 0 | 107.3 | G3 | M1-G3 PolarHBondContact O-N 2.91Š| |||
| 2 | N | 42.5 | Very low | 63 | Low | 171 Ų | 171 | 128.9 Ų | 128.9 | 91% | 0.914 | 72% | 0.718 | S | S | * | * | trans | -82.2 | 106.2 | 176.8 | -72.4 | -9.9 | 0 | 0 | 0 | 107.5 | S4 | N2-S4 PolarHBondContact O-N 3.4Å; N2-S4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | G | 50.7 | Low | 65.1 | Low | 70 Ų | 70 | 134.5 Ų | 134.5 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | -63.7 | 108.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | M1 T5 | M1-G3 PolarHBondContact O-N 2.91Å; G3-T5 PolarHBondContact O-N 2.75Å | ||
| 4 | S | 50.1 | Low | 66.9 | Low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 71% | 0.705 | S | S | * | * | trans | -55.7 | 110.6 | 166.1 | 48.4 | 0 | 0 | 0 | 0 | 107.9 | N2 N6 | N2-S4 PolarHBondContact O-N 3.4Å; N2-S4 VanDerWaalsContact O-N 3.11Å; S4-N6 PolarHBondContact O-N 3.44Å | ||
| 5 | T | 53.9 | Low | 68.7 | Low | 92 Ų | 92 | 129.1 Ų | 129.1 | 56% | 0.564 | 71% | 0.707 | S | S | * | * | trans | -62.6 | 117.8 | 176.7 | 49.2 | 0 | 0 | 0 | 0 | 107.9 | G3 P7 | G3-T5 PolarHBondContact O-N 2.75Å; T5-P7 VanDerWaalsContact O-CD 3.3Å; T5-P7 WeakPolarHBondContact O-CD 3.43Å | ||
| 6 | N | 61.3 | Low | 70.4 | Confident | 106 Ų | 106 | 126.8 Ų | 126.8 | 57% | 0.567 | 69% | 0.693 | S | S | * | * | trans | -66.5 | 114.5 | 174.2 | -128.5 | -39.1 | 0 | 0 | 0 | 106.7 | S4 L8 L9 | S4-N6 PolarHBondContact O-N 3.44Å; N6-L8 PolarHBondContact O-N 2.93Å; N6-L9 HydrophobicContact CB-CB 4.47Å; N6-L9 HydrophobicContact CB-CD1 4.43Å; N6-L9 HydrophobicContact CB-CG 4.41Å; N6-L9 PolarHBondContact O-N 3.04Å | ||
| 7 | P | 63 | Low | 72 | Confident | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -13.9 | -172.7 | 25.1 | -33.6 | 0 | 0 | 0 | 113.4 | T5 | T5-P7 VanDerWaalsContact O-CD 3.3Å; T5-P7 WeakPolarHBondContact O-CD 3.43Å |
| 8 | L | 66.5 | Low | 73.3 | Confident | 121 Ų | 121 | 124.6 Ų | 124.6 | 63% | 0.634 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -22.4 | 172.8 | -109.1 | 85.9 | 0 | 0 | 0 | 113.9 | N6 H92 | N6-L8 PolarHBondContact O-N 2.93Å; L8-H92 PolarHBondContact O-CE1 2.78Å |
| 9 | L | 77 | Confident | 74.5 | Confident | 79 Ų | 79 | 118.6 Ų | 118.6 | 41% | 0.414 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -109.6 | 121.7 | -178.1 | -58.4 | 179.1 | 0 | 0 | 0 | 107.9 | N6 I90 | N6-L9 HydrophobicContact CB-CB 4.47Å; N6-L9 HydrophobicContact CB-CD1 4.43Å; N6-L9 HydrophobicContact CB-CG 4.41Å; N6-L9 PolarHBondContact O-N 3.04Å; L9-I90 HydrophobicContact CD2-CD1 3.31Å |
| 10 | D | 82.8 | Confident | 75.5 | Confident | 88 Ų | 88 | 116.3 Ų | 116.3 | 47% | 0.471 | 63% | 0.629 | S | S | . | * | trans | -66.5 | 174.4 | 168.8 | 63.1 | 42.1 | 0 | 0 | 0 | 110.4 | E12 H14 | D10-E12 VanDerWaalsContact C-N 3.28Å; D10-E12 WeakPolarHBondContact OD1-CB 3.4Å; D10-E12 PolarHBondContact OD1-N 3.33Å; D10-H14 IonicContact OD1-CD2 3.44Å; D10-H14 PolarHBondContact OD1-CD2 2.94Å; D10-H14 IonicContact OD1-CE1 3.89Å; D10-H14 IonicContact OD1-NE2 2.75Å; D10-H14 PolarHBondContact OD1-NE2 3.02Å; D10-H14 IonicContact OD2-CE1 3.4Å; D10-H14 PolarHBondContact OD2-CE1 3.39Å; D10-H14 IonicContact OD2-NE2 2.91Å; D10-H14 PolarHBondContact OD2-NE2 3.26Å | ||
| 11 | K | 84.9 | Confident | 76.4 | Confident | 185 Ų | 185 | 111.3 Ų | 111.3 | 80% | 0.804 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -94.2 | 11.3 | 177.9 | -64 | 180 | -179.8 | 175.6 | 0 | 111.9 | ||
| 12 | E | 86.8 | Confident | 79.1 | Confident | 150 Ų | 150 | 103.7 Ų | 103.7 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -87.2 | 160.2 | -175.4 | -57.7 | -160.2 | 154.2 | 0 | 0 | 111 | D10 H14 | D10-E12 VanDerWaalsContact C-N 3.28Å; D10-E12 WeakPolarHBondContact OD1-CB 3.4Å; D10-E12 PolarHBondContact OD1-N 3.33Å; E12-H14 PolarHBondContact O-CD2 3.2Å |
| 13 | E | 89.9 | Confident | 81.6 | Confident | 201 Ų | 201 | 99.9 Ų | 99.9 | 94% | 0.939 | 54% | 0.54 | S | S | * | . | trans | -84.3 | 123.2 | 174.8 | -67.6 | -175.2 | 174.8 | 0 | 0 | 109.5 | ||||
| 14 | H | 90.5 | Very high | 83.6 | Confident | 68 Ų | 68 | 106.8 Ų | 106.8 | 32% | 0.315 | 55% | 0.55 | S | S | . | * | trans | -111.6 | 139.3 | 177.6 | -67.4 | -82.5 | 0 | 0 | 0 | 111.2 | D10 E12 L16 F97 | D10-H14 IonicContact OD1-CD2 3.44Å; D10-H14 PolarHBondContact OD1-CD2 2.94Å; D10-H14 IonicContact OD1-CE1 3.89Å; D10-H14 IonicContact OD1-NE2 2.75Å; D10-H14 PolarHBondContact OD1-NE2 3.02Å; D10-H14 IonicContact OD2-CE1 3.4Å; D10-H14 PolarHBondContact OD2-CE1 3.39Å; D10-H14 IonicContact OD2-NE2 2.91Å; D10-H14 PolarHBondContact OD2-NE2 3.26Å; E12-H14 PolarHBondContact O-CD2 3.2Å; H14-L16 PolarHBondContact O-N 3.11Å; H14-F97 HydrophobicContact CB-CB 4.49Å; H14-F97 HydrophobicContact CB-CD1 4.1Å; H14-F97 HydrophobicContact CB-CD2 3.49Å; H14-F97 VanDerWaalsContact CB-CD2 3.49Å; H14-F97 HydrophobicContact CB-CE1 4.17Å; H14-F97 HydrophobicContact CB-CE2 3.6Å; H14-F97 HydrophobicContact CB-CG 3.78Å; H14-F97 HydrophobicContact CB-CZ 3.94Å; H14-F97 AromaticContact CD2-CE2 3.66Å; H14-F97 AromaticContact CD2-CZ 3.43Å; H14-F97 VanDerWaalsContact CD2-CZ 3.43Å; H14-F97 WeakPolarHBondContact CD2-CZ 3.06Å; H14-F97 AromaticContact CE1-CE2 3.72Å; H14-F97 AromaticContact CG-CD2 3.64Å; H14-F97 AromaticContact CG-CE2 3.19Å; H14-F97 AromaticContact CG-CZ 3.46Å; H14-F97 VanDerWaalsContact CG-CZ 3.46Å; H14-F97 AromaticContact ND1-CD2 3.83Å; H14-F97 AromaticContact ND1-CE2 3.26Å; H14-F97 VanDerWaalsContact ND1-CE2 3.26Å; H14-F97 WeakPolarHBondContact ND1-CE2 3.25Å; H14-F97 AromaticContact ND1-CZ 3.89Å; H14-F97 AromaticContact NE2-CE2 3.93Å; H14-F97 AromaticContact NE2-CZ 3.8Å | ||
| 15 | V | 94.2 | Very high | 85.7 | Confident | 120 Ų | 120 | 111.3 Ų | 111.3 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 118.1 | 175.9 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 16 | L | 96.1 | Very high | 87.5 | Confident | 93 Ų | 93 | 110.4 Ų | 110.4 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 118.8 | 175.1 | -173.1 | 65.9 | 0 | 0 | 0 | 110.8 | H14 L88 F97 L99 | H14-L16 PolarHBondContact O-N 3.11Å; L16-L88 HydrophobicContact CD1-CD1 3.51Å; L16-F97 HydrophobicContact CD1-CB 4.39Å; L16-L99 HydrophobicContact CD1-CB 4.06Å; L16-L99 HydrophobicContact CD2-CB 4.4Å; L16-L99 HydrophobicContact CD2-CD2 4.4Å; L16-L99 HydrophobicContact CG-CB 4.35Å |
| 17 | K | 96.7 | Very high | 88.9 | Confident | 97 Ų | 97 | 112.7 Ų | 112.7 | 42% | 0.422 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 140.1 | 173.2 | -61.4 | -177.7 | -175.8 | -179.9 | 0 | 109.9 | E96 F97 V98 L99 | K17-E96 IonicContact NZ-OE1 2.64Å; K17-E96 PolarHBondContact NZ-OE1 3.01Å; K17-F97 PolarHBondContact N-O 3Å; K17-V98 HydrophobicContact CB-CG2 4.39Å; K17-V98 CarbonylContact O-C 3.49Å; K17-V98 WeakPolarHBondContact O-CA 3.33Å; K17-L99 PolarHBondContact O-N 3.09Å |
| 18 | L | 96.4 | Very high | 90.2 | Very high | 116 Ų | 116 | 108.8 Ų | 108.8 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 127.1 | 167.5 | -60 | -177.8 | 0 | 0 | 0 | 108.5 | F22 L99 | L18-F22 HydrophobicContact CB-CB 4.29Å; L18-F22 HydrophobicContact CB-CD2 4.09Å; L18-F22 HydrophobicContact CB-CG 4.24Å; L18-F22 HydrophobicContact CD2-CD2 4.33Å; L18-F22 HydrophobicContact CD2-CE2 4.22Å; L18-F22 HydrophobicContact CD2-CZ 4.37Å; L18-L99 HydrophobicContact CD2-CB 4.15Å; L18-L99 HydrophobicContact CD2-CD2 4.12Å |
| 19 | G | 95.1 | Very high | 91.4 | Very high | 12 Ų | 12 | 105.9 Ų | 105.9 | 12% | 0.124 | 52% | 0.515 | C | S | . | . | trans | -79.6 | -178.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | S21 F22 L99 E100 | G19-S21 PolarHBondContact O-N 3.16Å; G19-S21 VanDerWaalsContact O-N 3.17Å; G19-F22 PolarHBondContact O-N 3.49Å; G19-F22 VanDerWaalsContact O-N 3.13Å; G19-L99 PolarHBondContact N-O 3.4Å; G19-E100 WeakPolarHBondContact CA-OE1 3.37Å | ||
| 20 | E | 95 | Very high | 92.2 | Very high | 71 Ų | 71 | 104.9 Ų | 104.9 | 33% | 0.332 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -65.6 | -21.5 | -172 | -65.3 | -165.7 | 142.8 | 0 | 0 | 112.9 | F22 E23 K27 E100 | E20-F22 PolarHBondContact O-N 2.92Å; E20-E23 WeakPolarHBondContact O-CB 3.23Å; E20-E23 WeakPolarHBondContact O-CG 3.43Å; E20-E23 PolarHBondContact O-N 3.28Å; E20-K27 IonicContact OE1-NZ 2.78Å; E20-K27 PolarHBondContact OE1-NZ 3.42Å; E20-E100 PolarHBondContact N-OE1 3.11Å; E20-E100 PolarHBondContact N-OE2 3.1Å |
| 21 | S | 94.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 105 Ų | 105 | 8% | 0.084 | 51% | 0.505 | C | S | . | . | G | 310 helix | trans | -65.8 | -15.9 | 176.2 | 65.5 | 0 | 0 | 0 | 0 | 114 | G19 E100 K101 | G19-S21 PolarHBondContact O-N 3.16Å; G19-S21 VanDerWaalsContact O-N 3.17Å; S21-E100 WeakPolarHBondContact CB-OE2 3.22Å; S21-E100 PolarHBondContact N-OE2 3.4Å; S21-E100 WeakPolarHBondContact OG-CA 3.26Å; S21-E100 PolarHBondContact OG-OE2 3.18Å; S21-K101 PolarHBondContact OG-N 2.95Å |
| 22 | F | 93.5 | Very high | 93.4 | Very high | 81 Ų | 81 | 98.1 Ų | 98.1 | 36% | 0.355 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -88.8 | -7.4 | 174.3 | -72.9 | -87.7 | 0 | 0 | 0 | 113.4 | L18 G19 E20 L99 K101 | L18-F22 HydrophobicContact CB-CB 4.29Å; L18-F22 HydrophobicContact CB-CD2 4.09Å; L18-F22 HydrophobicContact CB-CG 4.24Å; L18-F22 HydrophobicContact CD2-CD2 4.33Å; L18-F22 HydrophobicContact CD2-CE2 4.22Å; L18-F22 HydrophobicContact CD2-CZ 4.37Å; G19-F22 PolarHBondContact O-N 3.49Å; G19-F22 VanDerWaalsContact O-N 3.13Å; E20-F22 PolarHBondContact O-N 2.92Å; F22-L99 HydrophobicContact CE2-CB 4.4Å; F22-L99 HydrophobicContact CE2-CD2 4.43Å; F22-L99 HydrophobicContact CE2-CG 4.23Å; F22-L99 WeakPolarHBondContact CE2-O 3.3Å; F22-L99 HydrophobicContact CZ-CD2 4.09Å; F22-L99 HydrophobicContact CZ-CG 4.29Å; F22-K101 HydrophobicContact CE1-CB 4.37Å; F22-K101 HydrophobicContact CE2-CB 4.16Å; F22-K101 HydrophobicContact CZ-CB 4.06Å |
| 23 | E | 94.7 | Very high | 93.8 | Very high | 92 Ų | 92 | 94 Ų | 94 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -67.5 | 156.6 | 177.5 | -66.1 | -176.5 | -179.8 | 0 | 0 | 111.8 | E20 R25 | E20-E23 WeakPolarHBondContact O-CB 3.23Å; E20-E23 WeakPolarHBondContact O-CG 3.43Å; E20-E23 PolarHBondContact O-N 3.28Å; E23-R25 PolarHBondContact O-N 3.21Å; E23-R25 VanDerWaalsContact O-N 3.14Å |
| 24 | K | 93.1 | Very high | 94.1 | Very high | 214 Ų | 214 | 90.4 Ų | 90.4 | 93% | 0.93 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -59.7 | -25.7 | 175.3 | -66.8 | -176.7 | -179.5 | 179.7 | 0 | 112.9 | ||
| 25 | R | 93.4 | Very high | 94.3 | Very high | 214 Ų | 214 | 91.6 Ų | 91.6 | 81% | 0.808 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -134.2 | 82.7 | 176.4 | -61.4 | -167 | -145.9 | 102.2 | -1 | 108.5 | E23 K27 | E23-R25 PolarHBondContact O-N 3.21Å; E23-R25 VanDerWaalsContact O-N 3.14Å; R25-K27 PolarHBondContact O-N 2.9Å |
| 26 | P | 91.8 | Very high | 94.2 | Very high | 74 Ų | 74 | 90.4 Ų | 90.4 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | trans | -65 | 134.4 | -174.7 | 27.7 | -34.4 | 0 | 0 | 0 | 110.4 | ||||
| 27 | K | 91.3 | Very high | 93.8 | Very high | 153 Ų | 153 | 90.8 Ų | 90.8 | 67% | 0.665 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -87.2 | -18.4 | 177 | -57.4 | 178.9 | -154.2 | 138.8 | 0 | 112.7 | E20 R25 | E20-K27 IonicContact OE1-NZ 2.78Å; E20-K27 PolarHBondContact OE1-NZ 3.42Å; R25-K27 PolarHBondContact O-N 2.9Å |
| 28 | S | 89.9 | Confident | 93.3 | Very high | 44 Ų | 44 | 94.2 Ų | 94.2 | 31% | 0.308 | 44% | 0.443 | S | S | . | . | trans | -131.2 | 158.8 | -179.7 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 29 | S | 91.7 | Very high | 92.9 | Very high | 60 Ų | 60 | 89.1 Ų | 89.1 | 42% | 0.42 | 42% | 0.417 | S | S | . | . | trans | -140.1 | 136.6 | 178.4 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | H31 S103 | S29-H31 PolarHBondContact OG-CE1 2.81Å; S29-H31 PolarHBondContact OG-NE2 2.64Å; S29-S103 WeakPolarHBondContact OG-CB 2.93Å; S29-S103 PolarHBondContact OG-OG 2.8Å | ||
| 30 | F | 95.3 | Very high | 92.5 | Very high | 57 Ų | 57 | 93.9 Ų | 93.9 | 25% | 0.25 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.1 | -179.2 | -66.3 | -98.5 | 0 | 0 | 0 | 110.2 | V87 I89 E100 L102 S103 | F30-V87 HydrophobicContact CD1-CG1 4.18Å; F30-V87 HydrophobicContact CG-CG1 4.42Å; F30-I89 HydrophobicContact CE1-CD1 3.78Å; F30-I89 HydrophobicContact CZ-CD1 4.06Å; F30-E100 HydrophobicContact CD2-CB 3.71Å; F30-E100 HydrophobicContact CD2-CG 4.12Å; F30-E100 HydrophobicContact CE1-CB 4.42Å; F30-E100 HydrophobicContact CE1-CG 4.28Å; F30-E100 HydrophobicContact CE2-CB 3.61Å; F30-E100 HydrophobicContact CE2-CG 3.46Å; F30-E100 VanDerWaalsContact CE2-CG 3.46Å; F30-E100 HydrophobicContact CG-CB 4.18Å; F30-E100 HydrophobicContact CZ-CB 3.98Å; F30-E100 HydrophobicContact CZ-CG 3.55Å; F30-L102 HydrophobicContact CB-CD2 3.88Å; F30-S103 PolarHBondContact O-N 3.28Å |
| 31 | H | 95.2 | Very high | 92.2 | Very high | 90 Ų | 90 | 92 Ų | 92 | 42% | 0.417 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144.3 | -177 | -50.4 | -64.8 | 0 | 0 | 0 | 110 | S29 S104 I106 | S29-H31 PolarHBondContact OG-CE1 2.81Å; S29-H31 PolarHBondContact OG-NE2 2.64Å; H31-S104 VanDerWaalsContact CA-O 3.28Å; H31-S104 WeakPolarHBondContact CA-O 3.26Å; H31-S104 PolarHBondContact ND1-OG 3.42Å; H31-I106 HydrophobicContact CB-CD1 4.25Å |
| 32 | T | 95.7 | Very high | 92.2 | Very high | 41 Ų | 41 | 92.8 Ų | 92.8 | 25% | 0.252 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135.6 | 169.3 | 66.8 | 0 | 0 | 0 | 0 | 109.4 | Y82 L102 S104 S105 I106 | T32-Y82 HydrophobicContact CG2-CE2 3.87Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.3Å; T32-Y82 PolarHBondContact OG1-OH 2.87Å; T32-L102 HydrophobicContact CG2-CD1 3.83Å; T32-L102 HydrophobicContact CG2-CD2 3.92Å; T32-L102 HydrophobicContact CG2-CG 4.5Å; T32-S104 PolarHBondContact N-O 2.85Å; T32-S105 WeakPolarHBondContact OG1-CA 3.41Å; T32-S105 PolarHBondContact OG1-OG 2.81Å; T32-S105 VanDerWaalsContact OG1-OG 3.12Å; T32-I106 PolarHBondContact O-N 2.84Å |
| 33 | I | 96.1 | Very high | 92.2 | Very high | 64 Ų | 64 | 89.9 Ų | 89.9 | 33% | 0.328 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.9 | 171.3 | -60.3 | 169.5 | 0 | 0 | 0 | 107.9 | Y35 I60 I106 V108 | I33-Y35 HydrophobicContact CB-CE2 4.46Å; I33-Y35 HydrophobicContact CG2-CD2 4.3Å; I33-Y35 HydrophobicContact CG2-CE1 4.34Å; I33-Y35 HydrophobicContact CG2-CE2 3.69Å; I33-I60 HydrophobicContact CD1-CD1 3.96Å; I33-I60 HydrophobicContact CG2-CD1 3.53Å; I33-I106 CarbonylContact C-O 3.55Å; I33-I106 WeakPolarHBondContact CA-O 3.32Å; I33-I106 HydrophobicContact CG1-CB 4.17Å; I33-I106 HydrophobicContact CG1-CD1 3.97Å; I33-V108 HydrophobicContact CG2-CG1 4.36Å; I33-V108 HydrophobicContact CG2-CG2 4.23Å |
| 34 | R | 95.8 | Very high | 92.2 | Very high | 125 Ų | 125 | 91.5 Ų | 91.5 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122 | 175 | -170.9 | 171.5 | 67.5 | -103.3 | 9.5 | 110.4 | I106 Q107 V108 | R34-I106 PolarHBondContact N-O 2.81Å; R34-Q107 VanDerWaalsContact NH2-OE1 3.12Å; R34-V108 PolarHBondContact O-N 2.85Å |
| 35 | Y | 94.8 | Very high | 92.3 | Very high | 94 Ų | 94 | 86.3 Ų | 86.3 | 37% | 0.369 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 143.4 | 174.9 | -57.1 | -93.5 | 0 | 0 | 0 | 109.8 | I33 F37 I60 L62 F75 V108 | I33-Y35 HydrophobicContact CB-CE2 4.46Å; I33-Y35 HydrophobicContact CG2-CD2 4.3Å; I33-Y35 HydrophobicContact CG2-CE1 4.34Å; I33-Y35 HydrophobicContact CG2-CE2 3.69Å; Y35-F37 VanDerWaalsContact C-N 3.34Å; Y35-I60 HydrophobicContact CE1-CD1 4.13Å; Y35-I60 HydrophobicContact CE1-CG2 4.37Å; Y35-L62 HydrophobicContact CE1-CD1 4.2Å; Y35-F75 AromaticContact CD1-CD1 3.88Å; Y35-F75 HydrophobicContact CD1-CD1 3.88Å; Y35-F75 HydrophobicContact CD1-CD2 4.05Å; Y35-F75 AromaticContact CD1-CE1 3.95Å; Y35-F75 HydrophobicContact CD1-CE1 3.95Å; Y35-F75 HydrophobicContact CD1-CE2 4.11Å; Y35-F75 AromaticContact CD1-CG 3.94Å; Y35-F75 HydrophobicContact CD1-CG 3.94Å; Y35-F75 HydrophobicContact CD1-CZ 4.06Å; Y35-F75 HydrophobicContact CE1-CD2 4.06Å; Y35-F75 HydrophobicContact CE1-CE2 4.31Å; Y35-F75 HydrophobicContact CE1-CG 4.21Å; Y35-V108 HydrophobicContact CD1-CG2 3.44Å; Y35-V108 VanDerWaalsContact CD1-CG2 3.44Å; Y35-V108 HydrophobicContact CE1-CG2 3.78Å; Y35-V108 HydrophobicContact CG-CG2 4.01Å |
| 36 | D | 92.3 | Very high | 92.3 | Very high | 94 Ų | 94 | 79.1 Ų | 79.1 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -78.4 | -22.5 | 169.7 | 64.6 | -17.2 | 0 | 0 | 0 | 112.7 | V108 K109 K110 | D36-V108 PolarHBondContact N-O 2.87Å; D36-K109 WeakPolarHBondContact OD2-CA 3.39Å; D36-K109 WeakPolarHBondContact OD2-CB 3.47Å; D36-K110 PolarHBondContact OD1-N 3.24Å; D36-K110 VanDerWaalsContact OD1-N 3.13Å; D36-K110 PolarHBondContact OD2-N 2.84Å |
| 37 | F | 88.3 | Confident | 92.4 | Very high | 102 Ų | 102 | 84.6 Ų | 84.6 | 45% | 0.447 | 45% | 0.449 | S | S | . | . | trans | -152.2 | 137.7 | -174.5 | 178 | -101.8 | 0 | 0 | 0 | 110.5 | Y35 P39 F75 K110 | Y35-F37 VanDerWaalsContact C-N 3.34Å; F37-P39 HydrophobicContact CD1-CG 3.96Å; F37-P39 VanDerWaalsContact CE1-CA 3.45Å; F37-P39 HydrophobicContact CE1-CB 3.88Å; F37-P39 HydrophobicContact CE1-CG 3.76Å; F37-F75 VanDerWaalsContact O-CE1 3.26Å; F37-F75 WeakPolarHBondContact O-CE1 3.11Å; F37-F75 VanDerWaalsContact O-CZ 3.3Å; F37-F75 WeakPolarHBondContact O-CZ 3.33Å; F37-K110 HydrophobicContact CD1-CD 3.96Å; F37-K110 HydrophobicContact CE1-CD 4.33Å | ||
| 38 | K | 86.6 | Confident | 92.6 | Very high | 168 Ų | 168 | 79.3 Ų | 79.3 | 73% | 0.73 | 44% | 0.439 | S | S | * | . | trans | -109.3 | 112.4 | 169.8 | -176 | 179.7 | 177.9 | -179.3 | 0 | 108.8 | ||||
| 39 | P | 86.6 | Confident | 92.9 | Very high | 9 Ų | 9 | 82 Ų | 82 | 6% | 0.058 | 45% | 0.446 | C | S | . | . | trans | -62.9 | 145.2 | 176.4 | -17.9 | 28.7 | 0 | 0 | 0 | 111.4 | F37 S41 I42 T73 F75 | F37-P39 HydrophobicContact CD1-CG 3.96Å; F37-P39 VanDerWaalsContact CE1-CA 3.45Å; F37-P39 HydrophobicContact CE1-CB 3.88Å; F37-P39 HydrophobicContact CE1-CG 3.76Å; P39-S41 PolarHBondContact O-N 2.78Å; P39-I42 HydrophobicContact CB-CD1 4.01Å; P39-I42 HydrophobicContact CB-CG1 3.96Å; P39-I42 HydrophobicContact CG-CD1 3.73Å; P39-I42 HydrophobicContact CG-CG1 3.94Å; P39-T73 HydrophobicContact CG-CG2 4.05Å; P39-F75 HydrophobicContact CG-CZ 4.21Å | ||
| 40 | A | 86.3 | Confident | 93.1 | Very high | 112 Ų | 112 | 83.8 Ų | 83.8 | 93% | 0.926 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 41 | S | 89.8 | Confident | 93.2 | Very high | 32 Ų | 32 | 85.5 Ų | 85.5 | 22% | 0.224 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 13.8 | -171.3 | 51.4 | 0 | 0 | 0 | 0 | 114.6 | P39 D43 H64 I65 | P39-S41 PolarHBondContact O-N 2.78Å; S41-D43 PolarHBondContact O-N 3.42Å; S41-H64 CarbonylContact O-C 3.43Å; S41-H64 WeakPolarHBondContact O-CA 3.35Å; S41-H64 VanDerWaalsContact O-CB 3.25Å; S41-H64 WeakPolarHBondContact O-CB 3.21Å; S41-H64 PolarHBondContact OG-CE1 2.99Å; S41-H64 PolarHBondContact OG-ND1 2.48Å; S41-I65 PolarHBondContact O-N 3.04Å |
| 42 | I | 93.9 | Very high | 93.2 | Very high | 29 Ų | 29 | 86.2 Ų | 86.2 | 15% | 0.149 | 47% | 0.47 | C | S | . | . | B | Isolated β-bridge | trans | -60.3 | 127.5 | 174.6 | -65.2 | -55.1 | 0 | 0 | 0 | 109.4 | P39 T44 L62 | P39-I42 HydrophobicContact CB-CD1 4.01Å; P39-I42 HydrophobicContact CB-CG1 3.96Å; P39-I42 HydrophobicContact CG-CD1 3.73Å; P39-I42 HydrophobicContact CG-CG1 3.94Å; I42-T44 PolarHBondContact O-N 3.19Å; I42-L62 HydrophobicContact CD1-CB 3.64Å; I42-L62 HydrophobicContact CD1-CD1 4.23Å; I42-L62 HydrophobicContact CG2-CB 4.48Å |
| 43 | D | 94.6 | Very high | 93 | Very high | 20 Ų | 20 | 85.8 Ų | 85.8 | 11% | 0.107 | 47% | 0.474 | C | S | . | . | trans | -79.5 | 114.1 | 170.6 | -169.8 | -11.3 | 0 | 0 | 0 | 109.2 | S41 S45 C46 P63 I65 | S41-D43 PolarHBondContact O-N 3.42Å; D43-S45 VanDerWaalsContact C-N 3.35Å; D43-S45 WeakPolarHBondContact OD1-CB 3.06Å; D43-S45 PolarHBondContact OD1-N 3.06Å; D43-S45 PolarHBondContact OD1-OG 3.13Å; D43-S45 PolarHBondContact OD2-OG 2.78Å; D43-C46 HydrophobicContact CB-CB 4.32Å; D43-C46 PolarHBondContact OD2-SG 3.17Å; D43-P63 PolarHBondContact N-O 3.35Å; D43-I65 HydrophobicContact CB-CG2 4.09Å | ||
| 44 | T | 93.8 | Very high | 92.8 | Very high | 126 Ų | 126 | 92.4 Ų | 92.4 | 77% | 0.773 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -87.2 | -7.5 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | I42 | I42-T44 PolarHBondContact O-N 3.19Š|
| 45 | S | 94.8 | Very high | 92.6 | Very high | 105 Ų | 105 | 89.9 Ų | 89.9 | 73% | 0.734 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -86.9 | -16 | 174.2 | 72.9 | 0 | 0 | 0 | 0 | 112.9 | D43 | D43-S45 VanDerWaalsContact C-N 3.35Å; D43-S45 WeakPolarHBondContact OD1-CB 3.06Å; D43-S45 PolarHBondContact OD1-N 3.06Å; D43-S45 PolarHBondContact OD1-OG 3.13Å; D43-S45 PolarHBondContact OD2-OG 2.78Å |
| 46 | C | 93.5 | Very high | 92.6 | Very high | 63 Ų | 63 | 89.3 Ų | 89.3 | 43% | 0.426 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -102.3 | 145.9 | 177.4 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | D43 P63 | D43-C46 HydrophobicContact CB-CB 4.32Å; D43-C46 PolarHBondContact OD2-SG 3.17Å; C46-P63 HydrophobicContact CB-CB 4.33Å; C46-P63 HydrophobicContact CB-CG 3.56Å |
| 47 | E | 95.4 | Very high | 92.8 | Very high | 188 Ų | 188 | 88.9 Ų | 88.9 | 88% | 0.879 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 143.6 | 175 | -63.9 | -175.5 | 166.3 | 0 | 0 | 111.5 | ||
| 48 | G | 94.6 | Very high | 93.3 | Very high | 43 Ų | 43 | 84.1 Ų | 84.1 | 44% | 0.443 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 156.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T61 | G48-T61 CarbonylContact C-O 3.47Å; G48-T61 WeakPolarHBondContact CA-O 3.33Å |
| 49 | E | 96.3 | Very high | 93.8 | Very high | 99 Ų | 99 | 76.8 Ų | 76.8 | 46% | 0.463 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134 | 177.1 | -168.5 | -177.5 | -171.7 | 0 | 0 | 110.9 | Q51 I60 T61 | E49-Q51 VanDerWaalsContact CD-NE2 3.27Å; E49-Q51 HydrophobicContact CG-CG 4.13Å; E49-Q51 PolarHBondContact OE1-NE2 3.27Å; E49-I60 CarbonylContact O-C 3.55Å; E49-I60 VanDerWaalsContact O-CA 3.28Å; E49-I60 WeakPolarHBondContact O-CA 3.32Å; E49-T61 PolarHBondContact N-O 2.75Å; E49-T61 PolarHBondContact O-N 2.96Å |
| 50 | L | 96.4 | Very high | 94.3 | Very high | 98 Ų | 98 | 76.6 Ų | 76.6 | 51% | 0.513 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 114.6 | 173.1 | 174.4 | 69.9 | 0 | 0 | 0 | 109 | V58 I60 | L50-V58 HydrophobicContact CD1-CG1 3.35Å; L50-I60 HydrophobicContact CD1-CD1 4.05Å; L50-I60 HydrophobicContact CD1-CG1 3.6Å |
| 51 | Q | 96.5 | Very high | 94.7 | Very high | 93 Ų | 93 | 72.5 Ų | 72.5 | 44% | 0.435 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.6 | 176.2 | -63.8 | 179.2 | -1.2 | 0 | 0 | 110.1 | E49 V58 T59 | E49-Q51 VanDerWaalsContact CD-NE2 3.27Å; E49-Q51 HydrophobicContact CG-CG 4.13Å; E49-Q51 PolarHBondContact OE1-NE2 3.27Å; Q51-V58 WeakPolarHBondContact O-CA 3.48Å; Q51-T59 PolarHBondContact N-O 2.88Å; Q51-T59 PolarHBondContact O-N 3.48Å |
| 52 | V | 94.3 | Very high | 95 | Very high | 105 Ų | 105 | 72.5 Ų | 72.5 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 113.3 | 169.6 | -175.6 | 0 | 0 | 0 | 0 | 107.7 | ||
| 53 | G | 92.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 72.7 Ų | 72.7 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | trans | -81.2 | -165.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E57 | G53-E57 PolarHBondContact N-O 3.14Š| ||
| 54 | K | 92.3 | Very high | 95.1 | Very high | 202 Ų | 202 | 72.6 Ų | 72.6 | 88% | 0.878 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -68.4 | 141.8 | 174.6 | -67.8 | -177.5 | -179.5 | 179.2 | 0 | 110.4 | D56 E57 | K54-D56 PolarHBondContact O-N 2.96Å; K54-E57 PolarHBondContact O-N 3.46Å |
| 55 | G | 91.9 | Very high | 95.1 | Very high | 72 Ų | 72 | 70.8 Ų | 70.8 | 74% | 0.742 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | -124.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 56 | D | 94.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 71.5 Ų | 71.5 | 44% | 0.444 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 11.5 | -179.5 | -74.2 | -50.4 | 0 | 0 | 0 | 113 | K54 N78 K79 | K54-D56 PolarHBondContact O-N 2.96Å; D56-N78 CarbonylContact O-C 3.55Å; D56-N78 WeakPolarHBondContact O-CA 3.49Å; D56-K79 HydrophobicContact CB-CB 4.05Å; D56-K79 WeakPolarHBondContact CB-O 3.38Å; D56-K79 PolarHBondContact O-N 2.72Å |
| 57 | E | 96.6 | Very high | 95 | Very high | 84 Ų | 84 | 72.4 Ų | 72.4 | 39% | 0.393 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 137 | -179.5 | -172.5 | 177.3 | 98.4 | 0 | 0 | 111.7 | G53 K54 | G53-E57 PolarHBondContact N-O 3.14Å; K54-E57 PolarHBondContact O-N 3.46Å |
| 58 | V | 97.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.018 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 128.1 | 175.6 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | L50 Q51 I60 K76 G77 K79 I106 | L50-V58 HydrophobicContact CD1-CG1 3.35Å; Q51-V58 WeakPolarHBondContact O-CA 3.48Å; V58-I60 HydrophobicContact CG1-CG1 4.24Å; V58-K76 WeakPolarHBondContact O-CA 3.32Å; V58-G77 PolarHBondContact N-O 2.79Å; V58-G77 PolarHBondContact O-N 2.8Å; V58-K79 HydrophobicContact CG2-CB 4.38Å; V58-I106 HydrophobicContact CB-CG2 3.93Å; V58-I106 HydrophobicContact CG1-CG2 4.06Å; V58-I106 HydrophobicContact CG2-CD1 4.24Å; V58-I106 HydrophobicContact CG2-CG1 4.44Å; V58-I106 HydrophobicContact CG2-CG2 4.1Å |
| 59 | T | 97.2 | Very high | 94.5 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 9% | 0.086 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.5 | 173.7 | -61.5 | 0 | 0 | 0 | 0 | 109.6 | Q51 V74 F75 K76 | Q51-T59 PolarHBondContact N-O 2.88Å; Q51-T59 PolarHBondContact O-N 3.48Å; T59-V74 HydrophobicContact CG2-CG1 3.69Å; T59-F75 CarbonylContact C-O 3.6Å; T59-F75 WeakPolarHBondContact CA-O 3.42Å; T59-K76 HydrophobicContact CG2-CG 4.23Å |
| 60 | I | 96.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.026 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.9 | 177.6 | -53.1 | -178.5 | 0 | 0 | 0 | 108.8 | I33 Y35 E49 L50 V58 L62 V74 F75 V108 | I33-I60 HydrophobicContact CD1-CD1 3.96Å; I33-I60 HydrophobicContact CG2-CD1 3.53Å; Y35-I60 HydrophobicContact CE1-CD1 4.13Å; Y35-I60 HydrophobicContact CE1-CG2 4.37Å; E49-I60 CarbonylContact O-C 3.55Å; E49-I60 VanDerWaalsContact O-CA 3.28Å; E49-I60 WeakPolarHBondContact O-CA 3.32Å; L50-I60 HydrophobicContact CD1-CD1 4.05Å; L50-I60 HydrophobicContact CD1-CG1 3.6Å; V58-I60 HydrophobicContact CG1-CG1 4.24Å; I60-L62 HydrophobicContact CG2-CD2 3.91Å; I60-L62 HydrophobicContact CG2-CG 4.05Å; I60-V74 CarbonylContact O-C 3.56Å; I60-V74 WeakPolarHBondContact O-CA 3.15Å; I60-F75 HydrophobicContact CB-CB 4.3Å; I60-F75 PolarHBondContact N-O 3.36Å; I60-F75 PolarHBondContact O-N 3.12Å; I60-V108 HydrophobicContact CD1-CG1 3.94Å; I60-V108 HydrophobicContact CD1-CG2 4.34Å; I60-V108 HydrophobicContact CG1-CG1 4.45Å |
| 61 | T | 96.2 | Very high | 93.9 | Very high | 25 Ų | 25 | 66.9 Ų | 66.9 | 15% | 0.153 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116.5 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 108.9 | G48 E49 M72 V74 | G48-T61 CarbonylContact C-O 3.47Å; G48-T61 WeakPolarHBondContact CA-O 3.33Å; E49-T61 PolarHBondContact N-O 2.75Å; E49-T61 PolarHBondContact O-N 2.96Å; T61-M72 HydrophobicContact CG2-CB 4.22Å; T61-M72 HydrophobicContact CG2-CG 4.21Å; T61-M72 HydrophobicContact CG2-SD 3.47Å; T61-M72 WeakPolarHBondContact CG2-SD 3.4Å; T61-V74 HydrophobicContact CG2-CG2 4.27Å |
| 62 | L | 95.4 | Very high | 93.7 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 17% | 0.173 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.4 | 178.1 | -60.1 | -178 | 0 | 0 | 0 | 110.2 | Y35 I42 I60 M72 T73 F75 | Y35-L62 HydrophobicContact CE1-CD1 4.2Å; I42-L62 HydrophobicContact CD1-CB 3.64Å; I42-L62 HydrophobicContact CD1-CD1 4.23Å; I42-L62 HydrophobicContact CG2-CB 4.48Å; I60-L62 HydrophobicContact CG2-CD2 3.91Å; I60-L62 HydrophobicContact CG2-CG 4.05Å; L62-M72 CarbonylContact O-C 3.51Å; L62-M72 WeakPolarHBondContact O-CA 3.41Å; L62-M72 WeakPolarHBondContact O-CB 3.36Å; L62-T73 PolarHBondContact N-O 3.48Å; L62-T73 PolarHBondContact O-N 3.12Å; L62-F75 HydrophobicContact CD1-CE2 4.09Å |
| 63 | P | 95.8 | Very high | 93.7 | Very high | 32 Ų | 32 | 62.1 Ų | 62.1 | 21% | 0.208 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 154.1 | 177.3 | 29.9 | -34.7 | 0 | 0 | 0 | 111.1 | D43 C46 | D43-P63 PolarHBondContact N-O 3.35Å; C46-P63 HydrophobicContact CB-CB 4.33Å; C46-P63 HydrophobicContact CB-CG 3.56Å |
| 64 | H | 94.9 | Very high | 93.8 | Very high | 18 Ų | 18 | 62.5 Ų | 62.5 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -102.9 | 164.3 | 169 | -73.7 | -162.7 | 0 | 0 | 0 | 110.7 | S41 S68 P70 P71 T73 | S41-H64 CarbonylContact O-C 3.43Å; S41-H64 WeakPolarHBondContact O-CA 3.35Å; S41-H64 VanDerWaalsContact O-CB 3.25Å; S41-H64 WeakPolarHBondContact O-CB 3.21Å; S41-H64 PolarHBondContact OG-CE1 2.99Å; S41-H64 PolarHBondContact OG-ND1 2.48Å; H64-S68 WeakPolarHBondContact CB-OG 3.4Å; H64-P70 PolarHBondContact ND1-O 3.38Å; H64-P71 WeakPolarHBondContact CB-O 3.43Å; H64-P71 PolarHBondContact N-O 3.29Å; H64-T73 PolarHBondContact CE1-OG1 3.36Å; H64-T73 PolarHBondContact NE2-OG1 2.63Å |
| 65 | I | 94.7 | Very high | 94 | Very high | 88 Ų | 88 | 52.9 Ų | 52.9 | 45% | 0.451 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 146.5 | 174 | 59.6 | 173.4 | 0 | 0 | 0 | 111.1 | S41 D43 G67 S68 | S41-I65 PolarHBondContact O-N 3.04Å; D43-I65 HydrophobicContact CB-CG2 4.09Å; I65-G67 PolarHBondContact O-N 2.95Å; I65-S68 WeakPolarHBondContact O-CB 3.47Å; I65-S68 PolarHBondContact O-N 3.44Å; I65-S68 PolarHBondContact O-OG 3.43Å |
| 66 | P | 93.4 | Very high | 94.3 | Very high | 121 Ų | 121 | 54.2 Ų | 54.2 | 79% | 0.786 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 133 | 179.5 | -28 | 35.1 | 0 | 0 | 0 | 113 | ||
| 67 | G | 90.9 | Very high | 94.4 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 85% | 0.845 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -1.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I65 | I65-G67 PolarHBondContact O-N 2.95Š|
| 68 | S | 90.3 | Very high | 94.4 | Very high | 27 Ų | 27 | 51 Ų | 51 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | trans | -69.7 | 156.3 | 171.6 | 75 | 0 | 0 | 0 | 0 | 112.1 | H64 I65 P70 | H64-S68 WeakPolarHBondContact CB-OG 3.4Å; I65-S68 WeakPolarHBondContact O-CB 3.47Å; I65-S68 PolarHBondContact O-N 3.44Å; I65-S68 PolarHBondContact O-OG 3.43Å; S68-P70 CarbonylContact C-O 3.52Å; S68-P70 PolarHBondContact OG-O 3.04Å | ||
| 69 | T | 89.9 | Confident | 94.2 | Very high | 140 Ų | 140 | 54.2 Ų | 54.2 | 86% | 0.859 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -134.6 | 117.8 | 168.4 | -59 | 0 | 0 | 0 | 0 | 108.8 | ||
| 70 | P | 88.7 | Confident | 94.1 | Very high | 59 Ų | 59 | 61 Ų | 61 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | S | Bend | cis | -69.1 | 164.6 | -1.4 | 31.7 | -36.6 | 0 | 0 | 0 | 113.3 | H64 S68 M72 | H64-P70 PolarHBondContact ND1-O 3.38Å; S68-P70 CarbonylContact C-O 3.52Å; S68-P70 PolarHBondContact OG-O 3.04Å; P70-M72 VanDerWaalsContact C-N 3.3Å; P70-M72 PolarHBondContact O-N 3.45Å |
| 71 | P | 91.3 | Very high | 94 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 56% | 0.558 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -78.2 | -10.6 | -178 | 31.4 | -36.8 | 0 | 0 | 0 | 114.2 | H64 | H64-P71 WeakPolarHBondContact CB-O 3.43Å; H64-P71 PolarHBondContact N-O 3.29Å |
| 72 | M | 93.4 | Very high | 93.8 | Very high | 93 Ų | 93 | 67 Ų | 67 | 46% | 0.458 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 165.5 | -179 | 63.6 | -177.3 | 73.7 | 0 | 0 | 110.6 | T61 L62 P70 | T61-M72 HydrophobicContact CG2-CB 4.22Å; T61-M72 HydrophobicContact CG2-CG 4.21Å; T61-M72 HydrophobicContact CG2-SD 3.47Å; T61-M72 WeakPolarHBondContact CG2-SD 3.4Å; L62-M72 CarbonylContact O-C 3.51Å; L62-M72 WeakPolarHBondContact O-CA 3.41Å; L62-M72 WeakPolarHBondContact O-CB 3.36Å; P70-M72 VanDerWaalsContact C-N 3.3Å; P70-M72 PolarHBondContact O-N 3.45Å |
| 73 | T | 94.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.025 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.5 | 168.8 | -66.5 | 0 | 0 | 0 | 0 | 110.5 | P39 L62 H64 F75 K110 | P39-T73 HydrophobicContact CG-CG2 4.05Å; L62-T73 PolarHBondContact N-O 3.48Å; L62-T73 PolarHBondContact O-N 3.12Å; H64-T73 PolarHBondContact CE1-OG1 3.36Å; H64-T73 PolarHBondContact NE2-OG1 2.63Å; T73-F75 HydrophobicContact CG2-CD2 4.01Å; T73-F75 HydrophobicContact CG2-CE1 4.37Å; T73-F75 HydrophobicContact CG2-CE2 3.42Å; T73-F75 VanDerWaalsContact CG2-CE2 3.42Å; T73-F75 HydrophobicContact CG2-CZ 3.62Å; T73-K110 HydrophobicContact CG2-CD 3.98Å; T73-K110 HydrophobicContact CG2-CG 3.75Å |
| 74 | V | 95 | Very high | 92.8 | Very high | 42 Ų | 42 | 80.5 Ų | 80.5 | 26% | 0.255 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.4 | 176.7 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | T59 I60 T61 K76 T111 | T59-V74 HydrophobicContact CG2-CG1 3.69Å; I60-V74 CarbonylContact O-C 3.56Å; I60-V74 WeakPolarHBondContact O-CA 3.15Å; T61-V74 HydrophobicContact CG2-CG2 4.27Å; V74-K76 HydrophobicContact CG1-CG 4.46Å; V74-T111 WeakPolarHBondContact O-CB 3.26Å; V74-T111 PolarHBondContact O-N 2.84Å; V74-T111 PolarHBondContact O-OG1 3.42Å |
| 75 | F | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.6 | 171.6 | -61.2 | -95.4 | 0 | 0 | 0 | 109.9 | Y35 F37 P39 T59 I60 L62 T73 V108 K109 K110 | Y35-F75 AromaticContact CD1-CD1 3.88Å; Y35-F75 HydrophobicContact CD1-CD1 3.88Å; Y35-F75 HydrophobicContact CD1-CD2 4.05Å; Y35-F75 AromaticContact CD1-CE1 3.95Å; Y35-F75 HydrophobicContact CD1-CE1 3.95Å; Y35-F75 HydrophobicContact CD1-CE2 4.11Å; Y35-F75 AromaticContact CD1-CG 3.94Å; Y35-F75 HydrophobicContact CD1-CG 3.94Å; Y35-F75 HydrophobicContact CD1-CZ 4.06Å; Y35-F75 HydrophobicContact CE1-CD2 4.06Å; Y35-F75 HydrophobicContact CE1-CE2 4.31Å; Y35-F75 HydrophobicContact CE1-CG 4.21Å; F37-F75 VanDerWaalsContact O-CE1 3.26Å; F37-F75 WeakPolarHBondContact O-CE1 3.11Å; F37-F75 VanDerWaalsContact O-CZ 3.3Å; F37-F75 WeakPolarHBondContact O-CZ 3.33Å; P39-F75 HydrophobicContact CG-CZ 4.21Å; T59-F75 CarbonylContact C-O 3.6Å; T59-F75 WeakPolarHBondContact CA-O 3.42Å; I60-F75 HydrophobicContact CB-CB 4.3Å; I60-F75 PolarHBondContact N-O 3.36Å; I60-F75 PolarHBondContact O-N 3.12Å; L62-F75 HydrophobicContact CD1-CE2 4.09Å; T73-F75 HydrophobicContact CG2-CD2 4.01Å; T73-F75 HydrophobicContact CG2-CE1 4.37Å; T73-F75 HydrophobicContact CG2-CE2 3.42Å; T73-F75 VanDerWaalsContact CG2-CE2 3.42Å; T73-F75 HydrophobicContact CG2-CZ 3.62Å; F75-V108 HydrophobicContact CB-CB 3.77Å; F75-V108 HydrophobicContact CB-CG2 3.65Å; F75-V108 HydrophobicContact CD1-CG2 4.09Å; F75-V108 HydrophobicContact CG-CG2 4.08Å; F75-K109 CarbonylContact C-O 3.57Å; F75-K109 VanDerWaalsContact CA-O 3.23Å; F75-K109 WeakPolarHBondContact CA-O 3.48Å; F75-K110 HydrophobicContact CD1-CB 4.09Å; F75-K110 HydrophobicContact CE1-CB 3.85Å |
| 76 | K | 96.6 | Very high | 92.8 | Very high | 99 Ų | 99 | 81.8 Ų | 81.8 | 43% | 0.43 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 142.2 | 175.8 | -70.5 | -168.8 | 173.2 | -165.1 | 0 | 110.8 | V58 T59 V74 V108 K109 | V58-K76 WeakPolarHBondContact O-CA 3.32Å; T59-K76 HydrophobicContact CG2-CG 4.23Å; V74-K76 HydrophobicContact CG1-CG 4.46Å; K76-V108 CarbonylContact O-C 3.55Å; K76-V108 WeakPolarHBondContact O-CA 3.28Å; K76-K109 PolarHBondContact N-O 3.36Å; K76-K109 PolarHBondContact O-N 2.8Å |
| 77 | G | 96.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 78.5 Ų | 78.5 | 8% | 0.082 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | -173.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V58 Q107 | V58-G77 PolarHBondContact N-O 2.79Å; V58-G77 PolarHBondContact O-N 2.8Å; G77-Q107 VanDerWaalsContact CA-O 3.22Å; G77-Q107 WeakPolarHBondContact CA-O 3.39Å |
| 78 | N | 96.4 | Very high | 93.2 | Very high | 91 Ų | 91 | 78.8 Ų | 78.8 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.9 | 177.5 | -65.7 | 70.4 | 0 | 0 | 0 | 110.8 | D56 | D56-N78 CarbonylContact O-C 3.55Å; D56-N78 WeakPolarHBondContact O-CA 3.49Å |
| 79 | K | 95.1 | Very high | 93.4 | Very high | 71 Ų | 71 | 81 Ų | 81 | 31% | 0.309 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 135.5 | 170 | -175.7 | 175.3 | 164.2 | -72.9 | 0 | 109.9 | D56 V58 S104 S105 I106 | D56-K79 HydrophobicContact CB-CB 4.05Å; D56-K79 WeakPolarHBondContact CB-O 3.38Å; D56-K79 PolarHBondContact O-N 2.72Å; V58-K79 HydrophobicContact CG2-CB 4.38Å; K79-S104 VanDerWaalsContact CE-OG 3.24Å; K79-S104 WeakPolarHBondContact CE-OG 3.47Å; K79-S104 VanDerWaalsContact CG-OG 3.3Å; K79-S104 WeakPolarHBondContact CG-OG 3.32Å; K79-S105 CarbonylContact C-O 3.55Å; K79-I106 HydrophobicContact CB-CG1 4.31Å; K79-I106 HydrophobicContact CG-CG1 4.46Å |
| 80 | R | 94.9 | Very high | 93.6 | Very high | 156 Ų | 156 | 76.2 Ų | 76.2 | 59% | 0.589 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.8 | 172.6 | -64.1 | -173.1 | -176.8 | -177.5 | 0.8 | 109.7 | S104 S105 | R80-S104 CarbonylContact O-C 3.58Å; R80-S104 WeakPolarHBondContact O-CA 3.45Å; R80-S104 WeakPolarHBondContact O-CB 3.45Å; R80-S105 PolarHBondContact N-O 3.29Å; R80-S105 PolarHBondContact O-N 3.13Å |
| 81 | P | 94.3 | Very high | 93.8 | Very high | 103 Ų | 103 | 76.3 Ų | 76.3 | 67% | 0.669 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 140.9 | -177.9 | 26.1 | -32.6 | 0 | 0 | 0 | 111.9 | S103 | P81-S103 WeakPolarHBondContact CA-O 3.44Å |
| 82 | Y | 90.7 | Very high | 93.7 | Very high | 53 Ų | 53 | 77.7 Ų | 77.7 | 21% | 0.208 | 39% | 0.385 | C | S | . | . | trans | -87.4 | 148.2 | 165 | -83.7 | -62.1 | 0 | 0 | 0 | 110.1 | T32 D85 L102 S103 S104 S105 | T32-Y82 HydrophobicContact CG2-CE2 3.87Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.3Å; T32-Y82 PolarHBondContact OG1-OH 2.87Å; Y82-D85 HydrophobicContact CD1-CB 3.78Å; Y82-D85 VanDerWaalsContact CD1-CG 3.48Å; Y82-D85 WeakPolarHBondContact CD1-OD2 3.3Å; Y82-D85 HydrophobicContact CE1-CB 4.16Å; Y82-D85 WeakPolarHBondContact CE1-OD2 3.24Å; Y82-D85 HydrophobicContact CG-CB 4.08Å; Y82-L102 VanDerWaalsContact CB-O 3.26Å; Y82-L102 WeakPolarHBondContact CB-O 3.49Å; Y82-L102 HydrophobicContact CD2-CB 3.55Å; Y82-L102 HydrophobicContact CD2-CD1 4.49Å; Y82-L102 HydrophobicContact CE2-CB 4.06Å; Y82-L102 HydrophobicContact CE2-CD1 4.22Å; Y82-L102 HydrophobicContact CG-CB 4.12Å; Y82-S103 PolarHBondContact N-O 3.05Å; Y82-S104 WeakPolarHBondContact CE2-O 3.49Å; Y82-S105 VanDerWaalsContact CE2-N 3.35Å; Y82-S105 VanDerWaalsContact CZ-CB 3.4Å; Y82-S105 WeakPolarHBondContact OH-CB 3.37Å; Y82-S105 PolarHBondContact OH-OG 2.99Å | ||
| 83 | Q | 84.2 | Confident | 93.6 | Very high | 167 Ų | 167 | 80.9 Ų | 80.9 | 78% | 0.78 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -99.8 | -45.7 | 180 | -65.9 | -173.5 | 1.1 | 0 | 0 | 112.6 | ||
| 84 | K | 87.4 | Confident | 93.5 | Very high | 182 Ų | 182 | 84.6 Ų | 84.6 | 79% | 0.791 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -138.4 | 5.4 | -171.5 | -62.2 | -172.2 | 178.5 | -179.2 | 0 | 114.5 | ||
| 85 | D | 94.5 | Very high | 93.3 | Very high | 79 Ų | 79 | 84.5 Ų | 84.5 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | trans | -80.8 | 142.6 | -174.1 | -62.2 | 30 | 0 | 0 | 0 | 110 | Y82 L102 | Y82-D85 HydrophobicContact CD1-CB 3.78Å; Y82-D85 VanDerWaalsContact CD1-CG 3.48Å; Y82-D85 WeakPolarHBondContact CD1-OD2 3.3Å; Y82-D85 HydrophobicContact CE1-CB 4.16Å; Y82-D85 WeakPolarHBondContact CE1-OD2 3.24Å; Y82-D85 HydrophobicContact CG-CB 4.08Å; D85-L102 HydrophobicContact CB-CB 4.2Å; D85-L102 HydrophobicContact CB-CD1 3.96Å; D85-L102 WeakPolarHBondContact O-CB 3.35Å; D85-L102 PolarHBondContact O-N 3.29Å | ||
| 86 | C | 95.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 88.2 Ų | 88.2 | 37% | 0.365 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 157.6 | -179.6 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | L99 E100 | C86-L99 HydrophobicContact CB-CD1 3.7Å; C86-L99 HydrophobicContact CB-CD2 4.25Å; C86-L99 HydrophobicContact CB-CG 3.88Å; C86-E100 CarbonylContact C-O 3.58Å; C86-E100 WeakPolarHBondContact CA-O 3.47Å; C86-E100 WeakPolarHBondContact CB-O 3.38Å |
| 87 | V | 95.6 | Very high | 93.1 | Very high | 53 Ų | 53 | 85 Ų | 85 | 32% | 0.321 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.2 | 170.6 | 62.8 | 0 | 0 | 0 | 0 | 109 | F30 I89 E100 L102 | F30-V87 HydrophobicContact CD1-CG1 4.18Å; F30-V87 HydrophobicContact CG-CG1 4.42Å; V87-I89 HydrophobicContact CG1-CG1 4.5Å; V87-E100 HydrophobicContact CG1-CB 3.86Å; V87-E100 PolarHBondContact N-O 3.43Å; V87-E100 PolarHBondContact O-N 3.05Å; V87-L102 HydrophobicContact CB-CD2 4.39Å; V87-L102 HydrophobicContact CB-CG 4.49Å; V87-L102 HydrophobicContact CG1-CD2 4.31Å |
| 88 | L | 95.6 | Very high | 93.1 | Very high | 87 Ų | 87 | 86 Ų | 86 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121 | 172.3 | 178.8 | 62.5 | 0 | 0 | 0 | 108.5 | L16 I90 F97 L99 | L16-L88 HydrophobicContact CD1-CD1 3.51Å; L88-I90 HydrophobicContact CD2-CD1 4.09Å; L88-I90 HydrophobicContact CD2-CG1 4.32Å; L88-I90 HydrophobicContact CG-CD1 4.32Å; L88-I90 HydrophobicContact CG-CG1 4.03Å; L88-F97 HydrophobicContact CD1-CB 4.44Å; L88-L99 HydrophobicContact CB-CD1 4.33Å |
| 89 | I | 94.7 | Very high | 93.1 | Very high | 73 Ų | 73 | 83.7 Ų | 83.7 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.4 | 176.7 | -56.8 | 174.2 | 0 | 0 | 0 | 107.6 | F30 V87 V98 E100 | F30-I89 HydrophobicContact CE1-CD1 3.78Å; F30-I89 HydrophobicContact CZ-CD1 4.06Å; V87-I89 HydrophobicContact CG1-CG1 4.5Å; I89-V98 PolarHBondContact N-O 2.92Å; I89-V98 PolarHBondContact O-N 2.83Å; I89-E100 HydrophobicContact CD1-CG 3.91Å |
| 90 | I | 94.4 | Very high | 93.2 | Very high | 41 Ų | 41 | 81.1 Ų | 81.1 | 21% | 0.21 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 111.7 | -179.2 | -57 | 175.6 | 0 | 0 | 0 | 107.1 | L9 L88 F97 | L9-I90 HydrophobicContact CD2-CD1 3.31Å; L88-I90 HydrophobicContact CD2-CD1 4.09Å; L88-I90 HydrophobicContact CD2-CG1 4.32Å; L88-I90 HydrophobicContact CG-CD1 4.32Å; L88-I90 HydrophobicContact CG-CG1 4.03Å; I90-F97 HydrophobicContact CB-CE1 4.43Å; I90-F97 HydrophobicContact CD1-CD1 3.91Å; I90-F97 HydrophobicContact CD1-CE1 3.6Å; I90-F97 HydrophobicContact CD1-CZ 4.43Å; I90-F97 HydrophobicContact CG1-CD1 3.7Å; I90-F97 HydrophobicContact CG1-CE1 3.79Å; I90-F97 HydrophobicContact CG1-CG 4.37Å; I90-F97 HydrophobicContact CG1-CZ 4.49Å; I90-F97 HydrophobicContact CG2-CD1 4.27Å; I90-F97 HydrophobicContact CG2-CD2 4.43Å; I90-F97 HydrophobicContact CG2-CE1 3.83Å; I90-F97 HydrophobicContact CG2-CE2 3.97Å; I90-F97 HydrophobicContact CG2-CZ 3.65Å |
| 91 | N | 92.8 | Very high | 93.3 | Very high | 60 Ų | 60 | 77.6 Ų | 77.6 | 32% | 0.321 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 108.3 | 174.6 | -174.2 | -24.2 | 0 | 0 | 0 | 108.6 | D93 T94 G95 E96 | N91-D93 VanDerWaalsContact C-N 3.31Å; N91-D93 PolarHBondContact O-N 2.8Å; N91-D93 WeakPolarHBondContact OD1-CB 3.28Å; N91-D93 PolarHBondContact OD1-N 2.76Å; N91-T94 VanDerWaalsContact CB-OG1 3.32Å; N91-T94 WeakPolarHBondContact CB-OG1 3Å; N91-T94 PolarHBondContact ND2-OG1 3.11Å; N91-T94 PolarHBondContact OD1-N 3.05Å; N91-T94 VanDerWaalsContact OD1-N 3.16Å; N91-G95 CarbonylContact O-C 3.41Å; N91-G95 VanDerWaalsContact O-CA 3.23Å; N91-G95 WeakPolarHBondContact O-CA 3.48Å; N91-G95 PolarHBondContact O-N 3.46Å; N91-E96 PolarHBondContact N-O 3.37Å; N91-E96 PolarHBondContact O-N 3.25Å |
| 92 | H | 89.6 | Confident | 93.4 | Very high | 115 Ų | 115 | 73.7 Ų | 73.7 | 53% | 0.532 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -22.3 | 179.9 | -66.8 | -74.1 | 0 | 0 | 0 | 113.5 | L8 | L8-H92 PolarHBondContact O-CE1 2.78Š|
| 93 | D | 91.9 | Very high | 93.5 | Very high | 161 Ų | 161 | 73.1 Ų | 73.1 | 86% | 0.861 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -37.8 | 178.8 | -59.1 | -34.5 | 0 | 0 | 0 | 111.1 | N91 | N91-D93 VanDerWaalsContact C-N 3.31Å; N91-D93 PolarHBondContact O-N 2.8Å; N91-D93 WeakPolarHBondContact OD1-CB 3.28Å; N91-D93 PolarHBondContact OD1-N 2.76Å |
| 94 | T | 92.3 | Very high | 94 | Very high | 82 Ų | 82 | 65.1 Ų | 65.1 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -15.2 | -179.5 | 65.6 | 0 | 0 | 0 | 0 | 114 | N91 E96 | N91-T94 VanDerWaalsContact CB-OG1 3.32Å; N91-T94 WeakPolarHBondContact CB-OG1 3Å; N91-T94 PolarHBondContact ND2-OG1 3.11Å; N91-T94 PolarHBondContact OD1-N 3.05Å; N91-T94 VanDerWaalsContact OD1-N 3.16Å; T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 WeakPolarHBondContact OG1-CB 3.09Å; T94-E96 WeakPolarHBondContact OG1-CG 3.09Å; T94-E96 PolarHBondContact OG1-N 3.19Å |
| 95 | G | 89.1 | Confident | 94.4 | Very high | 40 Ų | 40 | 57 Ų | 57 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 17.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N91 F97 | N91-G95 CarbonylContact O-C 3.41Å; N91-G95 VanDerWaalsContact O-CA 3.23Å; N91-G95 WeakPolarHBondContact O-CA 3.48Å; N91-G95 PolarHBondContact O-N 3.46Å; G95-F97 WeakPolarHBondContact O-CD2 3.27Å |
| 96 | E | 93.9 | Very high | 94.6 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 36% | 0.36 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 135.6 | -176.4 | -68.1 | -172.6 | 131.1 | 0 | 0 | 113.1 | K17 N91 T94 | K17-E96 IonicContact NZ-OE1 2.64Å; K17-E96 PolarHBondContact NZ-OE1 3.01Å; N91-E96 PolarHBondContact N-O 3.37Å; N91-E96 PolarHBondContact O-N 3.25Å; T94-E96 VanDerWaalsContact C-N 3.27Å; T94-E96 WeakPolarHBondContact OG1-CB 3.09Å; T94-E96 WeakPolarHBondContact OG1-CG 3.09Å; T94-E96 PolarHBondContact OG1-N 3.19Å |
| 97 | F | 96.1 | Very high | 94.6 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 108.8 | 177.6 | -71.8 | -116.1 | 0 | 0 | 0 | 108.3 | H14 L16 K17 L88 I90 G95 | H14-F97 HydrophobicContact CB-CB 4.49Å; H14-F97 HydrophobicContact CB-CD1 4.1Å; H14-F97 HydrophobicContact CB-CD2 3.49Å; H14-F97 VanDerWaalsContact CB-CD2 3.49Å; H14-F97 HydrophobicContact CB-CE1 4.17Å; H14-F97 HydrophobicContact CB-CE2 3.6Å; H14-F97 HydrophobicContact CB-CG 3.78Å; H14-F97 HydrophobicContact CB-CZ 3.94Å; H14-F97 AromaticContact CD2-CE2 3.66Å; H14-F97 AromaticContact CD2-CZ 3.43Å; H14-F97 VanDerWaalsContact CD2-CZ 3.43Å; H14-F97 WeakPolarHBondContact CD2-CZ 3.06Å; H14-F97 AromaticContact CE1-CE2 3.72Å; H14-F97 AromaticContact CG-CD2 3.64Å; H14-F97 AromaticContact CG-CE2 3.19Å; H14-F97 AromaticContact CG-CZ 3.46Å; H14-F97 VanDerWaalsContact CG-CZ 3.46Å; H14-F97 AromaticContact ND1-CD2 3.83Å; H14-F97 AromaticContact ND1-CE2 3.26Å; H14-F97 VanDerWaalsContact ND1-CE2 3.26Å; H14-F97 WeakPolarHBondContact ND1-CE2 3.25Å; H14-F97 AromaticContact ND1-CZ 3.89Å; H14-F97 AromaticContact NE2-CE2 3.93Å; H14-F97 AromaticContact NE2-CZ 3.8Å; L16-F97 HydrophobicContact CD1-CB 4.39Å; K17-F97 PolarHBondContact N-O 3Å; L88-F97 HydrophobicContact CD1-CB 4.44Å; I90-F97 HydrophobicContact CB-CE1 4.43Å; I90-F97 HydrophobicContact CD1-CD1 3.91Å; I90-F97 HydrophobicContact CD1-CE1 3.6Å; I90-F97 HydrophobicContact CD1-CZ 4.43Å; I90-F97 HydrophobicContact CG1-CD1 3.7Å; I90-F97 HydrophobicContact CG1-CE1 3.79Å; I90-F97 HydrophobicContact CG1-CG 4.37Å; I90-F97 HydrophobicContact CG1-CZ 4.49Å; I90-F97 HydrophobicContact CG2-CD1 4.27Å; I90-F97 HydrophobicContact CG2-CD2 4.43Å; I90-F97 HydrophobicContact CG2-CE1 3.83Å; I90-F97 HydrophobicContact CG2-CE2 3.97Å; I90-F97 HydrophobicContact CG2-CZ 3.65Å; G95-F97 WeakPolarHBondContact O-CD2 3.27Å |
| 98 | V | 96.6 | Very high | 94.7 | Very high | 31 Ų | 31 | 52.8 Ų | 52.8 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.4 | -175 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | K17 I89 E100 | K17-V98 HydrophobicContact CB-CG2 4.39Å; K17-V98 CarbonylContact O-C 3.49Å; K17-V98 WeakPolarHBondContact O-CA 3.33Å; I89-V98 PolarHBondContact N-O 2.92Å; I89-V98 PolarHBondContact O-N 2.83Å; V98-E100 HydrophobicContact CG1-CG 4.21Å |
| 99 | L | 96.9 | Very high | 94.7 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 127.6 | 170.4 | -164.7 | 69.7 | 0 | 0 | 0 | 109.5 | L16 K17 L18 G19 F22 C86 L88 | L16-L99 HydrophobicContact CD1-CB 4.06Å; L16-L99 HydrophobicContact CD2-CB 4.4Å; L16-L99 HydrophobicContact CD2-CD2 4.4Å; L16-L99 HydrophobicContact CG-CB 4.35Å; K17-L99 PolarHBondContact O-N 3.09Å; L18-L99 HydrophobicContact CD2-CB 4.15Å; L18-L99 HydrophobicContact CD2-CD2 4.12Å; G19-L99 PolarHBondContact N-O 3.4Å; F22-L99 HydrophobicContact CE2-CB 4.4Å; F22-L99 HydrophobicContact CE2-CD2 4.43Å; F22-L99 HydrophobicContact CE2-CG 4.23Å; F22-L99 WeakPolarHBondContact CE2-O 3.3Å; F22-L99 HydrophobicContact CZ-CD2 4.09Å; F22-L99 HydrophobicContact CZ-CG 4.29Å; C86-L99 HydrophobicContact CB-CD1 3.7Å; C86-L99 HydrophobicContact CB-CD2 4.25Å; C86-L99 HydrophobicContact CB-CG 3.88Å; L88-L99 HydrophobicContact CB-CD1 4.33Å |
| 100 | E | 97.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.6 | 175 | -66.8 | -77.1 | -169.4 | 0 | 0 | 110.3 | G19 E20 S21 F30 C86 V87 I89 V98 | G19-E100 WeakPolarHBondContact CA-OE1 3.37Å; E20-E100 PolarHBondContact N-OE1 3.11Å; E20-E100 PolarHBondContact N-OE2 3.1Å; S21-E100 WeakPolarHBondContact CB-OE2 3.22Å; S21-E100 PolarHBondContact N-OE2 3.4Å; S21-E100 WeakPolarHBondContact OG-CA 3.26Å; S21-E100 PolarHBondContact OG-OE2 3.18Å; F30-E100 HydrophobicContact CD2-CB 3.71Å; F30-E100 HydrophobicContact CD2-CG 4.12Å; F30-E100 HydrophobicContact CE1-CB 4.42Å; F30-E100 HydrophobicContact CE1-CG 4.28Å; F30-E100 HydrophobicContact CE2-CB 3.61Å; F30-E100 HydrophobicContact CE2-CG 3.46Å; F30-E100 VanDerWaalsContact CE2-CG 3.46Å; F30-E100 HydrophobicContact CG-CB 4.18Å; F30-E100 HydrophobicContact CZ-CB 3.98Å; F30-E100 HydrophobicContact CZ-CG 3.55Å; C86-E100 CarbonylContact C-O 3.58Å; C86-E100 WeakPolarHBondContact CA-O 3.47Å; C86-E100 WeakPolarHBondContact CB-O 3.38Å; V87-E100 HydrophobicContact CG1-CB 3.86Å; V87-E100 PolarHBondContact N-O 3.43Å; V87-E100 PolarHBondContact O-N 3.05Å; I89-E100 HydrophobicContact CD1-CG 3.91Å; V98-E100 HydrophobicContact CG1-CG 4.21Å |
| 101 | K | 95.8 | Very high | 94.5 | Very high | 83 Ų | 83 | 57.3 Ų | 57.3 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 128.4 | 175.6 | -175 | 179.9 | 179.1 | -177.8 | 0 | 110.6 | S21 F22 S103 | S21-K101 PolarHBondContact OG-N 2.95Å; F22-K101 HydrophobicContact CE1-CB 4.37Å; F22-K101 HydrophobicContact CE2-CB 4.16Å; F22-K101 HydrophobicContact CZ-CB 4.06Å; K101-S103 PolarHBondContact O-N 2.99Å |
| 102 | L | 96.4 | Very high | 94.2 | Very high | 21 Ų | 21 | 65.3 Ų | 65.3 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 127.7 | 168 | -69.9 | 172.2 | 0 | 0 | 0 | 109.3 | F30 T32 Y82 D85 V87 | F30-L102 HydrophobicContact CB-CD2 3.88Å; T32-L102 HydrophobicContact CG2-CD1 3.83Å; T32-L102 HydrophobicContact CG2-CD2 3.92Å; T32-L102 HydrophobicContact CG2-CG 4.5Å; Y82-L102 VanDerWaalsContact CB-O 3.26Å; Y82-L102 WeakPolarHBondContact CB-O 3.49Å; Y82-L102 HydrophobicContact CD2-CB 3.55Å; Y82-L102 HydrophobicContact CD2-CD1 4.49Å; Y82-L102 HydrophobicContact CE2-CB 4.06Å; Y82-L102 HydrophobicContact CE2-CD1 4.22Å; Y82-L102 HydrophobicContact CG-CB 4.12Å; D85-L102 HydrophobicContact CB-CB 4.2Å; D85-L102 HydrophobicContact CB-CD1 3.96Å; D85-L102 WeakPolarHBondContact O-CB 3.35Å; D85-L102 PolarHBondContact O-N 3.29Å; V87-L102 HydrophobicContact CB-CD2 4.39Å; V87-L102 HydrophobicContact CB-CG 4.49Å; V87-L102 HydrophobicContact CG1-CD2 4.31Å |
| 103 | S | 93.9 | Very high | 93.2 | Very high | 40 Ų | 40 | 63.5 Ų | 63.5 | 28% | 0.28 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -36.7 | -177.5 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | S29 F30 P81 Y82 K101 | S29-S103 WeakPolarHBondContact OG-CB 2.93Å; S29-S103 PolarHBondContact OG-OG 2.8Å; F30-S103 PolarHBondContact O-N 3.28Å; P81-S103 WeakPolarHBondContact CA-O 3.44Å; Y82-S103 PolarHBondContact N-O 3.05Å; K101-S103 PolarHBondContact O-N 2.99Å |
| 104 | S | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 155.5 | 176.6 | 62.1 | 0 | 0 | 0 | 0 | 115.7 | H31 T32 K79 R80 Y82 | H31-S104 VanDerWaalsContact CA-O 3.28Å; H31-S104 WeakPolarHBondContact CA-O 3.26Å; H31-S104 PolarHBondContact ND1-OG 3.42Å; T32-S104 PolarHBondContact N-O 2.85Å; K79-S104 VanDerWaalsContact CE-OG 3.24Å; K79-S104 WeakPolarHBondContact CE-OG 3.47Å; K79-S104 VanDerWaalsContact CG-OG 3.3Å; K79-S104 WeakPolarHBondContact CG-OG 3.32Å; R80-S104 CarbonylContact O-C 3.58Å; R80-S104 WeakPolarHBondContact O-CA 3.45Å; R80-S104 WeakPolarHBondContact O-CB 3.45Å; Y82-S104 WeakPolarHBondContact CE2-O 3.49Å |
| 105 | S | 95.6 | Very high | 89.5 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.7 | 169.9 | -156.8 | 0 | 0 | 0 | 0 | 110.7 | T32 K79 R80 Y82 | T32-S105 WeakPolarHBondContact OG1-CA 3.41Å; T32-S105 PolarHBondContact OG1-OG 2.81Å; T32-S105 VanDerWaalsContact OG1-OG 3.12Å; K79-S105 CarbonylContact C-O 3.55Å; R80-S105 PolarHBondContact N-O 3.29Å; R80-S105 PolarHBondContact O-N 3.13Å; Y82-S105 VanDerWaalsContact CE2-N 3.35Å; Y82-S105 VanDerWaalsContact CZ-CB 3.4Å; Y82-S105 WeakPolarHBondContact OH-CB 3.37Å; Y82-S105 PolarHBondContact OH-OG 2.99Å |
| 106 | I | 96.9 | Very high | 87.6 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 5% | 0.051 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 115.8 | 178.3 | -55.2 | 163.2 | 0 | 0 | 0 | 106.4 | H31 T32 I33 R34 V58 K79 V108 | H31-I106 HydrophobicContact CB-CD1 4.25Å; T32-I106 PolarHBondContact O-N 2.84Å; I33-I106 CarbonylContact C-O 3.55Å; I33-I106 WeakPolarHBondContact CA-O 3.32Å; I33-I106 HydrophobicContact CG1-CB 4.17Å; I33-I106 HydrophobicContact CG1-CD1 3.97Å; R34-I106 PolarHBondContact N-O 2.81Å; V58-I106 HydrophobicContact CB-CG2 3.93Å; V58-I106 HydrophobicContact CG1-CG2 4.06Å; V58-I106 HydrophobicContact CG2-CD1 4.24Å; V58-I106 HydrophobicContact CG2-CG1 4.44Å; V58-I106 HydrophobicContact CG2-CG2 4.1Å; K79-I106 HydrophobicContact CB-CG1 4.31Å; K79-I106 HydrophobicContact CG-CG1 4.46Å; I106-V108 HydrophobicContact CG2-CG1 3.62Å |
| 107 | Q | 96.7 | Very high | 85.5 | Confident | 83 Ų | 83 | 67.6 Ų | 67.6 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 114.5 | 175.7 | -58.8 | -179.3 | 18.4 | 0 | 0 | 107.4 | R34 G77 | R34-Q107 VanDerWaalsContact NH2-OE1 3.12Å; G77-Q107 VanDerWaalsContact CA-O 3.22Å; G77-Q107 WeakPolarHBondContact CA-O 3.39Å |
| 108 | V | 96.7 | Very high | 83.4 | Confident | 3 Ų | 3 | 75.4 Ų | 75.4 | 2% | 0.018 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143.5 | -175.9 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | I33 R34 Y35 D36 I60 F75 K76 I106 | I33-V108 HydrophobicContact CG2-CG1 4.36Å; I33-V108 HydrophobicContact CG2-CG2 4.23Å; R34-V108 PolarHBondContact O-N 2.85Å; Y35-V108 HydrophobicContact CD1-CG2 3.44Å; Y35-V108 VanDerWaalsContact CD1-CG2 3.44Å; Y35-V108 HydrophobicContact CE1-CG2 3.78Å; Y35-V108 HydrophobicContact CG-CG2 4.01Å; D36-V108 PolarHBondContact N-O 2.87Å; I60-V108 HydrophobicContact CD1-CG1 3.94Å; I60-V108 HydrophobicContact CD1-CG2 4.34Å; I60-V108 HydrophobicContact CG1-CG1 4.45Å; F75-V108 HydrophobicContact CB-CB 3.77Å; F75-V108 HydrophobicContact CB-CG2 3.65Å; F75-V108 HydrophobicContact CD1-CG2 4.09Å; F75-V108 HydrophobicContact CG-CG2 4.08Å; K76-V108 CarbonylContact O-C 3.55Å; K76-V108 WeakPolarHBondContact O-CA 3.28Å; I106-V108 HydrophobicContact CG2-CG1 3.62Å |
| 109 | K | 96 | Very high | 81.4 | Confident | 148 Ų | 148 | 80.1 Ų | 80.1 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 143.7 | 176 | -67.5 | -173.2 | 177 | 179.7 | 0 | 111 | D36 F75 K76 T111 | D36-K109 WeakPolarHBondContact OD2-CA 3.39Å; D36-K109 WeakPolarHBondContact OD2-CB 3.47Å; F75-K109 CarbonylContact C-O 3.57Å; F75-K109 VanDerWaalsContact CA-O 3.23Å; F75-K109 WeakPolarHBondContact CA-O 3.48Å; K76-K109 PolarHBondContact N-O 3.36Å; K76-K109 PolarHBondContact O-N 2.8Å; K109-T111 PolarHBondContact O-N 3.32Å |
| 110 | K | 94 | Very high | 79.2 | Confident | 92 Ų | 92 | 84.1 Ų | 84.1 | 40% | 0.4 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 123.5 | 174.3 | -177.1 | 176.7 | -178.9 | -170.9 | 0 | 110.2 | D36 F37 T73 F75 | D36-K110 PolarHBondContact OD1-N 3.24Å; D36-K110 VanDerWaalsContact OD1-N 3.13Å; D36-K110 PolarHBondContact OD2-N 2.84Å; F37-K110 HydrophobicContact CD1-CD 3.96Å; F37-K110 HydrophobicContact CE1-CD 4.33Å; T73-K110 HydrophobicContact CG2-CD 3.98Å; T73-K110 HydrophobicContact CG2-CG 3.75Å; F75-K110 HydrophobicContact CD1-CB 4.09Å; F75-K110 HydrophobicContact CE1-CB 3.85Å |
| 111 | T | 92 | Very high | 77 | Confident | 56 Ų | 56 | 86.3 Ų | 86.3 | 34% | 0.344 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 133.7 | 170.2 | -53.6 | 0 | 0 | 0 | 0 | 108.3 | V74 K109 | V74-T111 WeakPolarHBondContact O-CB 3.26Å; V74-T111 PolarHBondContact O-N 2.84Å; V74-T111 PolarHBondContact O-OG1 3.42Å; K109-T111 PolarHBondContact O-N 3.32Å |
| 112 | R | 85 | Confident | 75 | Confident | 228 Ų | 228 | 91.8 Ų | 91.8 | 86% | 0.86 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 137.8 | 171.6 | -66.7 | -178.7 | -179.3 | -178.9 | -0.3 | 107.9 | E114 | R112-E114 PolarHBondContact O-N 2.82Š|
| 113 | A | 69.6 | Low | 73.1 | Confident | 78 Ų | 78 | 96.4 Ų | 96.4 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | trans | -61.2 | 111.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | G115 | A113-G115 PolarHBondContact O-N 3.2Š| ||
| 114 | E | 52.5 | Low | 71.2 | Confident | 199 Ų | 199 | 101.6 Ų | 101.6 | 93% | 0.93 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 122.8 | 167 | -79.9 | -90.5 | 143.4 | 0 | 0 | 107.7 | R112 | R112-E114 PolarHBondContact O-N 2.82Š|
| 115 | G | 53.8 | Low | 69.2 | Low | 44 Ų | 44 | 108.7 Ų | 108.7 | 45% | 0.454 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 130.3 | -1.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | A113 S117 | A113-G115 PolarHBondContact O-N 3.2Å; G115-S117 VanDerWaalsContact C-N 3.27Å; G115-S117 PolarHBondContact O-N 2.9Å |
| 116 | S | 49.8 | Very low | 67 | Low | 116 Ų | 116 | 116 Ų | 116 | 81% | 0.811 | 59% | 0.585 | S | S | * | * | trans | -81.2 | -0.7 | 176.5 | 125 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 117 | S | 49.5 | Very low | 64.7 | Low | 86 Ų | 86 | 119.5 Ų | 119.5 | 60% | 0.601 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -75.3 | 125.8 | 172.7 | -66.4 | 0 | 0 | 0 | 0 | 109.2 | G115 I119 Q120 | G115-S117 VanDerWaalsContact C-N 3.27Å; G115-S117 PolarHBondContact O-N 2.9Å; S117-I119 PolarHBondContact O-N 2.77Å; S117-Q120 PolarHBondContact O-N 2.84Å |
| 118 | K | 50.8 | Low | 62.3 | Low | 196 Ų | 196 | 120.8 Ų | 120.8 | 85% | 0.852 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | 0.6 | 178.2 | -64.6 | -178 | 177.4 | 179.5 | 0 | 115.9 | ||
| 119 | I | 55 | Low | 60 | Low | 129 Ų | 129 | 131.9 Ų | 131.9 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -34 | -177.6 | -59.5 | 173.6 | 0 | 0 | 0 | 110.9 | S117 R122 | S117-I119 PolarHBondContact O-N 2.77Å; I119-R122 PolarHBondContact O-N 2.9Å |
| 120 | Q | 50 | Low | 57.6 | Low | 125 Ų | 125 | 130 Ų | 130 | 58% | 0.584 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -79.3 | -27.1 | -174.6 | -153.7 | 157.4 | 4.2 | 0 | 0 | 113.6 | S117 R122 I123 E124 | S117-Q120 PolarHBondContact O-N 2.84Å; Q120-R122 PolarHBondContact O-N 2.86Å; Q120-I123 PolarHBondContact O-N 3.35Å; Q120-I123 VanDerWaalsContact O-N 3.16Å; Q120-E124 PolarHBondContact O-N 3.45Å |
| 121 | A | 52.1 | Low | 55.3 | Low | 64 Ų | 64 | 130.7 Ų | 130.7 | 53% | 0.529 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -62.9 | -23.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q125 | A121-Q125 PolarHBondContact O-N 3.24Å |
| 122 | R | 52.5 | Low | 53 | Low | 197 Ų | 197 | 136.9 Ų | 136.9 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -79.1 | -31.3 | 175.3 | -88 | -165.8 | 177.7 | -155.1 | 1.6 | 113.6 | I119 Q120 E124 Q126 | I119-R122 PolarHBondContact O-N 2.9Å; Q120-R122 PolarHBondContact O-N 2.86Å; R122-E124 VanDerWaalsContact C-N 3.35Å; R122-Q126 PolarHBondContact O-N 2.82Å |
| 123 | I | 58.2 | Low | 50.9 | Low | 119 Ų | 119 | 132 Ų | 132 | 61% | 0.61 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -69.9 | -37.6 | 179.4 | -70.6 | 161.3 | 0 | 0 | 0 | 109.9 | Q120 | Q120-I123 PolarHBondContact O-N 3.35Å; Q120-I123 VanDerWaalsContact O-N 3.16Å |
| 124 | E | 54.3 | Low | 49.4 | Very low | 148 Ų | 148 | 134 Ų | 134 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -74.6 | -33 | 177.8 | -128.4 | 170.7 | -171.6 | 0 | 0 | 113 | Q120 R122 Q126 S127 | Q120-E124 PolarHBondContact O-N 3.45Å; R122-E124 VanDerWaalsContact C-N 3.35Å; E124-Q126 VanDerWaalsContact C-N 3.28Å; E124-Q126 PolarHBondContact O-N 2.83Å; E124-S127 PolarHBondContact O-N 2.74Å; E124-S127 PolarHBondContact O-OG 2.79Å |
| 125 | Q | 52.3 | Low | 48.8 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -69.9 | -19.5 | 175.3 | -88.4 | -176 | -11 | 0 | 0 | 114.4 | A121 | A121-Q125 PolarHBondContact O-N 3.24Å |
| 126 | Q | 48.6 | Very low | 48.1 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 77% | 0.771 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -83.8 | -18 | 174.8 | -96.3 | 179 | -27.9 | 0 | 0 | 113.7 | R122 E124 | R122-Q126 PolarHBondContact O-N 2.82Å; E124-Q126 VanDerWaalsContact C-N 3.28Å; E124-Q126 PolarHBondContact O-N 2.83Å |
| 127 | S | 49.2 | Very low | 47.6 | Very low | 83 Ų | 83 | 141 Ų | 141 | 58% | 0.58 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -82.8 | -18.7 | 179.7 | 82.4 | 0 | 0 | 0 | 0 | 113.9 | E124 | E124-S127 PolarHBondContact O-N 2.74Å; E124-S127 PolarHBondContact O-OG 2.79Å |
| 128 | V | 46.5 | Very low | 47.3 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 0.6 | -178.8 | -84.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 129 | R | 48.3 | Very low | 46.6 | Very low | 235 Ų | 235 | 143.7 Ų | 143.7 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 6.9 | -176.3 | -132.3 | -178.8 | -174.4 | -163.6 | 1.4 | 116.1 | ||
| 130 | S | 45.3 | Very low | 46.3 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -108.4 | 19.8 | -175.1 | 55.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 131 | S | 46.3 | Very low | 45.6 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -125 | 73.2 | 171.7 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 132 | Q | 43.1 | Very low | 45.3 | Very low | 186 Ų | 186 | 151 Ų | 151 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -115.4 | 122.4 | 157 | -95.5 | -167.9 | -21.9 | 0 | 0 | 109.5 | S134 | Q132-S134 PolarHBondContact O-N 3.49Š| ||
| 133 | P | 40.7 | Very low | 44.9 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -77 | 117.7 | 167.1 | 29.5 | -28 | 0 | 0 | 0 | 108.9 | S135 | P133-S135 PolarHBondContact O-N 2.81Š| ||
| 134 | S | 38.5 | Very low | 43.7 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -73.9 | 107.9 | 173.5 | 46.3 | 0 | 0 | 0 | 0 | 110.2 | Q132 | Q132-S134 PolarHBondContact O-N 3.49Š| ||
| 135 | S | 39.6 | Very low | 42.8 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -68.8 | 129.8 | 170.2 | 53.4 | 0 | 0 | 0 | 0 | 111.1 | P133 | P133-S135 PolarHBondContact O-N 2.81Š| ||
| 136 | Q | 40.4 | Very low | 41.8 | Very low | 193 Ų | 193 | 142 Ų | 142 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -61 | 134.2 | 179.9 | -62.9 | 172.3 | -18.4 | 0 | 0 | 112.7 | ||||
| 137 | F | 39.1 | Very low | 41.2 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | trans | -120.5 | 131.4 | 156.4 | -98.9 | -89 | 0 | 0 | 0 | 109.9 | ||||
| 138 | R | 41.8 | Very low | 40.7 | Very low | 240 Ų | 240 | 147 Ų | 147 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | -100.7 | 140.5 | -170.8 | 178.5 | -171.7 | -169 | -168.8 | 5 | 110.6 | ||||
| 139 | A | 35.8 | Very low | 40.1 | Very low | 98 Ų | 98 | 148.6 Ų | 148.6 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -164 | 157.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 140 | P | 48.8 | Very low | 39.4 | Very low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 83% | 0.833 | S | S | * | * | trans | -123.4 | 153 | -142.2 | 38.8 | -24.9 | 0 | 0 | 0 | 115.7 | ||||
| 141 | T | 36.6 | Very low | 39.7 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 94% | 0.939 | 83% | 0.832 | S | S | * | * | trans | -152.6 | 154.6 | 151.8 | 40.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 142 | K | 45.8 | Very low | 39 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 90% | 0.9 | 83% | 0.832 | S | S | * | * | trans | -96.5 | -173.2 | -153.6 | -116.5 | -172.7 | -179.7 | 176.4 | 0 | 113.4 | ||||
| 143 | P | 43.2 | Very low | 38.7 | Very low | 124 Ų | 124 | 143 Ų | 143 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | trans | -110.8 | 167.8 | -130.8 | 42.8 | -31.7 | 0 | 0 | 0 | 115.6 | ||||
| 144 | G | 33.4 | Very low | 38.4 | Very low | 79 Ų | 79 | 143.7 Ų | 143.7 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | trans | -149.2 | 119.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 145 | T | 34.8 | Very low | 38.7 | Very low | 152 Ų | 152 | 146.4 Ų | 146.4 | 93% | 0.933 | 83% | 0.83 | S | S | * | * | trans | -75.6 | 144.8 | -177.8 | 36.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 146 | G | 32.8 | Very low | 38.6 | Very low | 70 Ų | 70 | 147.4 Ų | 147.4 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | trans | 164.4 | 86.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 147 | I | 34.8 | Very low | 39 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | trans | 57.3 | 109.1 | 137.1 | -49.3 | 175.6 | 0 | 0 | 0 | 121.5 | ||||
| 148 | K | 38.8 | Very low | 39.4 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | 24.5 | 122.1 | 136 | -56.6 | -177.1 | 174.9 | -173.5 | 0 | 120.9 | ||||
| 149 | T | 33.7 | Very low | 39.3 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | -161.7 | 147.7 | 120.2 | 47.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 150 | S | 33.4 | Very low | 40 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -121.6 | 179.5 | 168.5 | -56.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 151 | P | 53.1 | Low | 40.4 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | cis | -125.5 | 172.9 | -30.2 | 29.8 | -11.1 | 0 | 0 | 0 | 111.5 | ||||
| 152 | S | 29.7 | Very low | 41.5 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 171.4 | 129 | 137.1 | -79.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 153 | Q | 37.3 | Very low | 42.1 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | 55.3 | 126.8 | 140 | -58 | -174.5 | 10.9 | 0 | 0 | 121.7 | ||||
| 154 | T | 35.6 | Very low | 43.2 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | 154.5 | 97.1 | 142.2 | 38.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 155 | K | 43.2 | Very low | 45 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | 37.3 | 124 | 74.5 | -136.6 | -164.4 | 170.1 | -154.2 | 0 | 115.6 | |||||
| 156 | D | 38.1 | Very low | 46.8 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | trans | 84.1 | 113.5 | 158.7 | -62.9 | -37.4 | 0 | 0 | 0 | 118.4 | ||||
| 157 | N | 49.8 | Very low | 48.8 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | trans | -88.6 | 114.5 | 165.5 | 175 | 72.8 | 0 | 0 | 0 | 107.9 | ||||
| 158 | P | 46 | Very low | 50.7 | Low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 71% | 0.714 | S | S | * | * | trans | -100.9 | 122.5 | 163.1 | 27 | -12.2 | 0 | 0 | 0 | 110 | ||||
| 159 | S | 41.1 | Very low | 52.9 | Low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | trans | -55.9 | 143.5 | 161 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | E161 | S159-E161 PolarHBondContact O-N 2.85Š| ||
| 160 | P | 50.9 | Low | 54.9 | Low | 121 Ų | 121 | 128.4 Ų | 128.4 | 79% | 0.786 | 69% | 0.693 | S | S | * | * | trans | -75.6 | 111.5 | 172.4 | 30.1 | -28.9 | 0 | 0 | 0 | 109 | ||||
| 161 | E | 57.3 | Low | 57.1 | Low | 174 Ų | 174 | 128 Ų | 128 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | trans | -71.7 | 140.9 | 164.2 | -88.2 | -178.2 | 140.2 | 0 | 0 | 109.7 | S159 Q163 | S159-E161 PolarHBondContact O-N 2.85Å; E161-Q163 PolarHBondContact O-N 2.91Å | ||
| 162 | P | 57.9 | Low | 58.4 | Low | 99 Ų | 99 | 130.7 Ų | 130.7 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | trans | -67.4 | 119.9 | 171.7 | 28.4 | -30.3 | 0 | 0 | 0 | 108.4 | L164 | P162-L164 PolarHBondContact O-N 3.24Š| ||
| 163 | Q | 60 | Low | 60.7 | Low | 128 Ų | 128 | 127.9 Ų | 127.9 | 60% | 0.598 | 66% | 0.659 | S | S | * | * | trans | -66.5 | 107.1 | -178.9 | -62.3 | -138.3 | -96.4 | 0 | 0 | 109.2 | E161 D165 D166 | E161-Q163 PolarHBondContact O-N 2.91Å; Q163-D165 PolarHBondContact O-N 2.82Å; Q163-D166 PolarHBondContact O-N 2.8Å | ||
| 164 | L | 65.6 | Low | 62.5 | Low | 131 Ų | 131 | 125.1 Ų | 125.1 | 69% | 0.686 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -54.4 | -20.9 | 176.8 | -62 | 175 | 0 | 0 | 0 | 112.5 | P162 K168 | P162-L164 PolarHBondContact O-N 3.24Å; L164-K168 VanDerWaalsContact O-CB 3.32Å; L164-K168 WeakPolarHBondContact O-CB 3.37Å; L164-K168 PolarHBondContact O-N 2.71Å |
| 165 | D | 70.8 | Confident | 64.8 | Low | 100 Ų | 100 | 122.7 Ų | 122.7 | 54% | 0.535 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.5 | -32.7 | 175 | -63.6 | -48.6 | 0 | 0 | 0 | 113.4 | Q163 R169 | Q163-D165 PolarHBondContact O-N 2.82Å; D165-R169 VanDerWaalsContact O-CB 3.28Å; D165-R169 WeakPolarHBondContact O-CB 3.43Å; D165-R169 PolarHBondContact O-N 2.94Å |
| 166 | D | 73.9 | Confident | 66.3 | Low | 93 Ų | 93 | 119.8 Ų | 119.8 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -73.4 | -43.2 | 177.7 | -70.7 | -25.2 | 0 | 0 | 0 | 110.4 | Q163 K168 R169 E170 | Q163-D166 PolarHBondContact O-N 2.8Å; D166-K168 VanDerWaalsContact C-N 3.31Å; D166-K168 PolarHBondContact O-N 3.49Å; D166-R169 PolarHBondContact O-N 3.44Å; D166-R169 VanDerWaalsContact O-N 3.16Å; D166-E170 WeakPolarHBondContact O-CB 3.23Å; D166-E170 PolarHBondContact O-N 2.71Å |
| 167 | I | 74.3 | Confident | 68.3 | Low | 92 Ų | 92 | 117.5 Ų | 117.5 | 47% | 0.472 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62 | -42.2 | 175.6 | -62.8 | 169.6 | 0 | 0 | 0 | 110.5 | R169 E170 L171 | I167-R169 VanDerWaalsContact C-N 3.31Å; I167-R169 PolarHBondContact O-N 3.25Å; I167-E170 PolarHBondContact O-N 3.02Å; I167-L171 HydrophobicContact CG2-CD1 3.9Å; I167-L171 WeakPolarHBondContact O-CD1 3.41Å; I167-L171 PolarHBondContact O-N 3.39Å |
| 168 | K | 74.8 | Confident | 69.4 | Low | 123 Ų | 123 | 115.2 Ų | 115.2 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67 | -33.3 | 177.5 | -173.1 | 177 | -179.9 | -178.8 | 0 | 112.3 | L164 D166 R172 | L164-K168 VanDerWaalsContact O-CB 3.32Å; L164-K168 WeakPolarHBondContact O-CB 3.37Å; L164-K168 PolarHBondContact O-N 2.71Å; D166-K168 VanDerWaalsContact C-N 3.31Å; D166-K168 PolarHBondContact O-N 3.49Å; K168-R172 WeakPolarHBondContact O-CG 3.16Å; K168-R172 PolarHBondContact O-N 3.43Å |
| 169 | R | 83.9 | Confident | 70.5 | Confident | 177 Ų | 177 | 116 Ų | 116 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.9 | -42.8 | 176.9 | -168.3 | -179.1 | -57.5 | -166 | 4.1 | 111.2 | D165 D166 I167 R172 A173 | D165-R169 VanDerWaalsContact O-CB 3.28Å; D165-R169 WeakPolarHBondContact O-CB 3.43Å; D165-R169 PolarHBondContact O-N 2.94Å; D166-R169 PolarHBondContact O-N 3.44Å; D166-R169 VanDerWaalsContact O-N 3.16Å; I167-R169 VanDerWaalsContact C-N 3.31Å; I167-R169 PolarHBondContact O-N 3.25Å; R169-R172 PolarHBondContact O-N 3.16Å; R169-A173 PolarHBondContact O-N 3.41Å |
| 170 | E | 76.2 | Confident | 71.6 | Confident | 130 Ų | 130 | 117.9 Ų | 117.9 | 61% | 0.607 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.7 | -48.2 | 175.3 | -161.3 | 76.6 | -133.4 | 0 | 0 | 110.9 | D166 I167 R172 A173 E174 | D166-E170 WeakPolarHBondContact O-CB 3.23Å; D166-E170 PolarHBondContact O-N 2.71Å; I167-E170 PolarHBondContact O-N 3.02Å; E170-R172 VanDerWaalsContact C-N 3.28Å; E170-R172 PolarHBondContact O-N 2.88Å; E170-A173 PolarHBondContact O-N 3.4Å; E170-A173 VanDerWaalsContact O-N 3.11Å; E170-E174 PolarHBondContact O-N 3.2Å |
| 171 | L | 79.9 | Confident | 71.9 | Confident | 107 Ų | 107 | 119 Ų | 119 | 56% | 0.56 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.2 | -36.3 | 177.7 | -104.3 | 102.1 | 0 | 0 | 0 | 112.9 | I167 V175 | I167-L171 HydrophobicContact CG2-CD1 3.9Å; I167-L171 WeakPolarHBondContact O-CD1 3.41Å; I167-L171 PolarHBondContact O-N 3.39Å; L171-V175 VanDerWaalsContact O-CG2 3.3Å; L171-V175 WeakPolarHBondContact O-CG2 3.43Å; L171-V175 PolarHBondContact O-N 3.48Å; L171-V175 VanDerWaalsContact O-N 3.13Å |
| 172 | R | 79.3 | Confident | 72 | Confident | 174 Ų | 174 | 115.1 Ų | 115.1 | 66% | 0.657 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.2 | -39.8 | 176.3 | -78.7 | -173 | -177.3 | -169 | -0.4 | 111.9 | K168 R169 E170 V175 E176 | K168-R172 WeakPolarHBondContact O-CG 3.16Å; K168-R172 PolarHBondContact O-N 3.43Å; R169-R172 PolarHBondContact O-N 3.16Å; E170-R172 VanDerWaalsContact C-N 3.28Å; E170-R172 PolarHBondContact O-N 2.88Å; R172-V175 PolarHBondContact O-N 3.46Å; R172-E176 PolarHBondContact O-N 3.33Å; R172-E176 VanDerWaalsContact O-N 3.12Å |
| 173 | A | 79.6 | Confident | 71.7 | Confident | 46 Ų | 46 | 114.9 Ų | 114.9 | 38% | 0.38 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.4 | -39.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R169 E170 E176 V177 | R169-A173 PolarHBondContact O-N 3.41Å; E170-A173 PolarHBondContact O-N 3.4Å; E170-A173 VanDerWaalsContact O-N 3.11Å; A173-E176 PolarHBondContact O-N 3.13Å; A173-V177 WeakPolarHBondContact O-CG2 3.4Å; A173-V177 PolarHBondContact O-N 3.26Å; A173-V177 VanDerWaalsContact O-N 3.12Å |
| 174 | E | 75.4 | Confident | 71.2 | Confident | 122 Ų | 122 | 114.4 Ų | 114.4 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.8 | -39 | 176 | -74.9 | -159.3 | 133.5 | 0 | 0 | 112.9 | E170 E176 V177 I178 | E170-E174 PolarHBondContact O-N 3.2Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.33Å; E174-V177 PolarHBondContact O-N 3.36Å; E174-I178 WeakPolarHBondContact O-CG1 3.3Å; E174-I178 PolarHBondContact O-N 3.4Å; E174-I178 VanDerWaalsContact O-N 3.13Å |
| 175 | V | 82 | Confident | 70.2 | Confident | 88 Ų | 88 | 111.4 Ų | 111.4 | 53% | 0.533 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.4 | -41.6 | 175.3 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | L171 R172 V177 I178 E179 | L171-V175 VanDerWaalsContact O-CG2 3.3Å; L171-V175 WeakPolarHBondContact O-CG2 3.43Å; L171-V175 PolarHBondContact O-N 3.48Å; L171-V175 VanDerWaalsContact O-N 3.13Å; R172-V175 PolarHBondContact O-N 3.46Å; V175-V177 VanDerWaalsContact C-N 3.34Å; V175-V177 PolarHBondContact O-N 3.02Å; V175-I178 PolarHBondContact O-N 3.3Å; V175-E179 WeakPolarHBondContact O-CB 3.36Å; V175-E179 PolarHBondContact O-N 3.48Å |
| 176 | E | 76.6 | Confident | 68.9 | Low | 118 Ų | 118 | 111.9 Ų | 111.9 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.3 | -36.4 | 178.5 | -167.8 | 172.6 | 176.2 | 0 | 0 | 112.2 | R172 A173 E174 E179 Q180 | R172-E176 PolarHBondContact O-N 3.33Å; R172-E176 VanDerWaalsContact O-N 3.12Å; A173-E176 PolarHBondContact O-N 3.13Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.33Å; E176-E179 PolarHBondContact O-N 3.44Å; E176-Q180 WeakPolarHBondContact O-CG 3.48Å; E176-Q180 PolarHBondContact O-N 3.31Å |
| 177 | V | 78.4 | Confident | 67.8 | Low | 79 Ų | 79 | 112.8 Ų | 112.8 | 48% | 0.479 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.5 | -37.7 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 112.1 | A173 E174 V175 M181 | A173-V177 WeakPolarHBondContact O-CG2 3.4Å; A173-V177 PolarHBondContact O-N 3.26Å; A173-V177 VanDerWaalsContact O-N 3.12Å; E174-V177 PolarHBondContact O-N 3.36Å; V175-V177 VanDerWaalsContact C-N 3.34Å; V175-V177 PolarHBondContact O-N 3.02Å; V177-M181 HydrophobicContact CG1-CE 3.65Å; V177-M181 PolarHBondContact O-N 3.43Å |
| 178 | I | 73.1 | Confident | 66.5 | Low | 106 Ų | 106 | 114 Ų | 114 | 54% | 0.544 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.1 | -36.8 | 177.2 | -65.1 | 166.1 | 0 | 0 | 0 | 111 | E174 V175 M181 S182 | E174-I178 WeakPolarHBondContact O-CG1 3.3Å; E174-I178 PolarHBondContact O-N 3.4Å; E174-I178 VanDerWaalsContact O-N 3.13Å; V175-I178 PolarHBondContact O-N 3.3Å; I178-M181 PolarHBondContact O-N 3.28Å; I178-S182 PolarHBondContact O-N 3.25Å; I178-S182 PolarHBondContact O-OG 3.06Å |
| 179 | E | 70.3 | Confident | 65.6 | Low | 132 Ų | 132 | 113.4 Ų | 113.4 | 62% | 0.617 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.2 | -36.7 | 177.2 | -166.7 | 171.6 | -172.2 | 0 | 0 | 112.2 | V175 E176 M181 S182 S183 | V175-E179 WeakPolarHBondContact O-CB 3.36Å; V175-E179 PolarHBondContact O-N 3.48Å; E176-E179 PolarHBondContact O-N 3.44Å; E179-M181 VanDerWaalsContact C-N 3.31Å; E179-M181 PolarHBondContact O-N 3.43Å; E179-S182 PolarHBondContact O-N 3.39Å; E179-S183 PolarHBondContact O-OG 3.27Å |
| 180 | Q | 63.5 | Low | 63.8 | Low | 136 Ų | 136 | 110.9 Ų | 110.9 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.1 | -31.3 | 172.5 | -76.3 | -174.6 | 7.7 | 0 | 0 | 113 | E176 S182 | E176-Q180 WeakPolarHBondContact O-CG 3.48Å; E176-Q180 PolarHBondContact O-N 3.31Å; Q180-S182 PolarHBondContact O-N 3Å |
| 181 | M | 58.2 | Low | 63 | Low | 144 Ų | 144 | 112.2 Ų | 112.2 | 71% | 0.709 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -9.6 | 172.4 | -73.6 | -167.6 | -94.6 | 0 | 0 | 113.7 | V177 I178 E179 | V177-M181 HydrophobicContact CG1-CE 3.65Å; V177-M181 PolarHBondContact O-N 3.43Å; I178-M181 PolarHBondContact O-N 3.28Å; E179-M181 VanDerWaalsContact C-N 3.31Å; E179-M181 PolarHBondContact O-N 3.43Å |
| 182 | S | 58.6 | Low | 61.3 | Low | 92 Ų | 92 | 113.3 Ų | 113.3 | 64% | 0.643 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -2.2 | -177.5 | -57.9 | 0 | 0 | 0 | 0 | 114 | I178 E179 Q180 | I178-S182 PolarHBondContact O-N 3.25Å; I178-S182 PolarHBondContact O-OG 3.06Å; E179-S182 PolarHBondContact O-N 3.39Å; Q180-S182 PolarHBondContact O-N 3Å |
| 183 | S | 50.5 | Low | 60 | Low | 94 Ų | 94 | 109.3 Ų | 109.3 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | trans | -113.3 | 59 | -176.8 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | E179 | E179-S183 PolarHBondContact O-OG 3.27Š| ||
| 184 | S | 49.8 | Very low | 58.3 | Low | 119 Ų | 119 | 112.9 Ų | 112.9 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | trans | -130.3 | 82.9 | 151.8 | 62.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 185 | G | 45.5 | Very low | 56.9 | Low | 67 Ų | 67 | 111.5 Ų | 111.5 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 177.6 | 80.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 186 | S | 42.4 | Very low | 55.4 | Low | 110 Ų | 110 | 113.6 Ų | 113.6 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | 28.7 | 113.5 | 148.8 | 56.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 187 | S | 50.8 | Low | 53.8 | Low | 112 Ų | 112 | 111.6 Ų | 111.6 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | 38.3 | 121.7 | 128.8 | 63 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 188 | S | 47.3 | Very low | 52.4 | Low | 119 Ų | 119 | 114 Ų | 114 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | 174.8 | 131.2 | 106 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 189 | S | 56.9 | Low | 51 | Low | 110 Ų | 110 | 112.1 Ų | 112.1 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -67.1 | 146 | 172.6 | 46.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 190 | S | 45.4 | Very low | 50.2 | Low | 123 Ų | 123 | 112.7 Ų | 112.7 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -169.9 | 118.3 | 136.8 | -76 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 191 | D | 58.8 | Low | 49.3 | Very low | 159 Ų | 159 | 112.2 Ų | 112.2 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -68.5 | 146.6 | 164.4 | -63.4 | -64.2 | 0 | 0 | 0 | 111.2 | ||||
| 192 | S | 46.1 | Very low | 48.8 | Very low | 129 Ų | 129 | 110.6 Ų | 110.6 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -160.5 | 120.3 | 148.7 | -76.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 193 | A | 50.3 | Low | 48.4 | Very low | 91 Ų | 91 | 111.4 Ų | 111.4 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -87.6 | 177.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 194 | S | 45.5 | Very low | 48.2 | Very low | 121 Ų | 121 | 112.6 Ų | 112.6 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | 88.3 | 145.4 | 165 | -26.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 195 | A | 44.6 | Very low | 48 | Very low | 93 Ų | 93 | 112.3 Ų | 112.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | cis | -167.1 | 156.5 | -11.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 196 | S | 50.8 | Low | 47.9 | Very low | 131 Ų | 131 | 116.9 Ų | 116.9 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -60.2 | 140.2 | 169.5 | -44 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 197 | G | 43.7 | Very low | 47.8 | Very low | 77 Ų | 77 | 115.5 Ų | 115.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -151.2 | 113.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 198 | S | 48.7 | Very low | 47.6 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -74.1 | 154.8 | 172.6 | 45.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 199 | G | 43.9 | Very low | 47.2 | Very low | 68 Ų | 68 | 119.8 Ų | 119.8 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 167.5 | 101.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 200 | D | 52.1 | Low | 46.2 | Very low | 144 Ų | 144 | 122.2 Ų | 122.2 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -47.7 | 169.3 | 147.3 | 58.5 | -46.7 | 0 | 0 | 0 | 111.3 | ||||
| 201 | D | 45.6 | Very low | 45.8 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 67% | 0.668 | 80% | 0.803 | S | S | * | * | cis | -176.7 | 167 | 28.4 | 49.9 | -60.8 | 0 | 0 | 0 | 109.3 | ||||
| 202 | S | 47.9 | Very low | 45.6 | Very low | 111 Ų | 111 | 118 Ų | 118 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 92.3 | 142.5 | 146.3 | -61.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 203 | S | 50.8 | Low | 45.1 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -106.7 | -178.7 | -156.6 | -58.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 204 | S | 46.2 | Very low | 45.1 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 74.4 | 146.7 | 151.4 | 42.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 205 | S | 45.3 | Very low | 44.3 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | cis | -164.1 | 164.5 | 27.6 | 35.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 206 | D | 42.8 | Very low | 43.9 | Very low | 163 Ų | 163 | 126 Ų | 126 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -54.9 | 157.2 | 172.6 | -59.1 | -66.1 | 0 | 0 | 0 | 116.2 | ||||
| 207 | G | 40.7 | Very low | 43.1 | Very low | 81 Ų | 81 | 128 Ų | 128 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -160.4 | 103.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 208 | E | 46.9 | Very low | 42.6 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -86.9 | 163.1 | 175.6 | -56 | -174.8 | 111.7 | 0 | 0 | 112.1 | ||||
| 209 | N | 37.6 | Very low | 41.9 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 102.4 | 119.6 | 150.1 | -70.9 | -25.2 | 0 | 0 | 0 | 121.9 | ||||
| 210 | D | 35.7 | Very low | 42 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 99.6 | 136 | 130.2 | -111.4 | -44.6 | 0 | 0 | 0 | 121.2 | ||||
| 211 | A | 38.5 | Very low | 41.2 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | -104.3 | -154.8 | -164.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 212 | P | 52.9 | Low | 40.6 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | -125.1 | 174.2 | -88 | 37 | -21.5 | 0 | 0 | 0 | 113.5 | |||||
| 213 | R | 37.1 | Very low | 40 | Very low | 232 Ų | 232 | 140.7 Ų | 140.7 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | 151.8 | 168.3 | 145.5 | -87.5 | 175.1 | -174.7 | -101.3 | 1.1 | 112.9 | ||||
| 214 | P | 49.1 | Very low | 39.9 | Very low | 103 Ų | 103 | 141 Ų | 141 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | -134.1 | -153.7 | -76.3 | 37.1 | -13.1 | 0 | 0 | 0 | 111.1 | |||||
| 215 | L | 30.1 | Very low | 39.3 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | 102.2 | 133.7 | 174.2 | -55.3 | 164.3 | 0 | 0 | 0 | 112.4 | ||||
| 216 | S | 35.7 | Very low | 38.8 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | cis | -172.6 | 147.9 | 6.2 | 34.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 217 | Q | 34 | Very low | 38.5 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 10.6 | 134.4 | 148.6 | -63.5 | 167.3 | 0.8 | 0 | 0 | 118 | ||||
| 218 | T | 33.3 | Very low | 38 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | -174.8 | 148.8 | 83.6 | 40 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 219 | S | 33.7 | Very low | 37.2 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -119.1 | 159.2 | 155.5 | -48.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 220 | P | 45.2 | Very low | 37.2 | Very low | 131 Ų | 131 | 136 Ų | 136 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | -155.4 | 177.4 | 84.6 | 37.2 | -14.8 | 0 | 0 | 0 | 117.1 | |||||
| 221 | S | 36.2 | Very low | 37.3 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -69.7 | 161.1 | -172.6 | -38.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 222 | R | 33 | Very low | 37.3 | Very low | 254 Ų | 254 | 142.9 Ų | 142.9 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -168.4 | 147.6 | 136.1 | -108.6 | 177 | -174.8 | -114.3 | 1.5 | 113.8 | ||||
| 223 | L | 34.4 | Very low | 36.9 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | -91.7 | -160.2 | -172.5 | -59.6 | 161.9 | 0 | 0 | 0 | 113.5 | ||||
| 224 | P | 50.6 | Low | 37.6 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | -114.7 | 175 | -115.9 | 31.3 | -7.3 | 0 | 0 | 0 | 114.1 | |||||
| 225 | V | 33.6 | Very low | 37.6 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -137.6 | 138.8 | 168 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 226 | A | 34.8 | Very low | 38.8 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | trans | -100.9 | 168.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 227 | N | 35.1 | Very low | 39.8 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | 86.8 | 114 | 157.5 | -81.5 | 2.6 | 0 | 0 | 0 | 121.6 | ||||
| 228 | G | 30.7 | Very low | 41.2 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | 113.3 | 125.9 | 109.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 229 | G | 30.1 | Very low | 42.8 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 130.5 | 86.5 | 146.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 230 | V | 37.8 | Very low | 44.3 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | 29.4 | 135.1 | 134.8 | -102.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 231 | D | 36.9 | Very low | 45.2 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | trans | 76.5 | 109.4 | 142.4 | -70.1 | -49.4 | 0 | 0 | 0 | 122.7 | ||||
| 232 | R | 39.3 | Very low | 46.8 | Very low | 243 Ų | 243 | 134.4 Ų | 134.4 | 92% | 0.917 | 74% | 0.741 | S | S | * | * | 176 | 88 | 122.3 | -94.3 | 167.4 | 99.6 | -175.5 | 5.8 | 111.2 | |||||
| 233 | Q | 43.6 | Very low | 48.6 | Very low | 171 Ų | 171 | 126.7 Ų | 126.7 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | trans | -114 | 94.1 | 160.9 | -92.3 | -176.1 | -8.6 | 0 | 0 | 109 | ||||
| 234 | Q | 52.4 | Low | 50.3 | Low | 197 Ų | 197 | 127 Ų | 127 | 92% | 0.921 | 71% | 0.708 | S | S | * | * | trans | -128 | 87.5 | 173.8 | -145.2 | 172.5 | 31.2 | 0 | 0 | 106.9 | ||||
| 235 | G | 49.9 | Very low | 51 | Low | 55 Ų | 55 | 127.8 Ų | 127.8 | 57% | 0.567 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 178.6 | -31.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 236 | N | 54.1 | Low | 52.6 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -95.9 | -10 | -170.9 | -73.8 | 10.4 | 0 | 0 | 0 | 115.4 | Q238 | N236-Q238 PolarHBondContact O-N 3.3Š|
| 237 | N | 56.7 | Low | 54.3 | Low | 108 Ų | 108 | 128.3 Ų | 128.3 | 58% | 0.578 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -77 | -21 | -174.3 | -68.7 | -40 | 0 | 0 | 0 | 113.9 | N241 | N237-N241 WeakPolarHBondContact O-CB 3.33Å; N237-N241 PolarHBondContact O-N 3.24Å; N237-N241 PolarHBondContact O-ND2 2.94Å; N237-N241 VanDerWaalsContact O-ND2 3.12Å |
| 238 | Q | 63.9 | Low | 55.5 | Low | 161 Ų | 161 | 128.8 Ų | 128.8 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -72.4 | -39.4 | 178.2 | -71.7 | -176.5 | 1.5 | 0 | 0 | 111.9 | N236 N241 T242 | N236-Q238 PolarHBondContact O-N 3.3Å; Q238-N241 PolarHBondContact O-N 3.13Å; Q238-T242 PolarHBondContact O-N 3.38Å; Q238-T242 VanDerWaalsContact O-N 3.1Å; Q238-T242 PolarHBondContact O-OG1 3.43Å; Q238-T242 VanDerWaalsContact O-OG1 3.11Å |
| 239 | L | 66.9 | Low | 56.4 | Low | 118 Ų | 118 | 131 Ų | 131 | 62% | 0.618 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -65.7 | -41.9 | 179.1 | -67.3 | 168.4 | 0 | 0 | 0 | 111.7 | N241 T242 L243 | L239-N241 VanDerWaalsContact C-N 3.32Å; L239-N241 PolarHBondContact O-N 3.11Å; L239-T242 PolarHBondContact O-N 3.12Å; L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.38Å; L239-L243 PolarHBondContact O-N 3.12Å; L239-L243 VanDerWaalsContact O-N 3.09Å |
| 240 | M | 65.1 | Low | 57.3 | Low | 117 Ų | 117 | 132.2 Ų | 132.2 | 58% | 0.576 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68.7 | -31.5 | 179.5 | -66 | -64.3 | -89.3 | 0 | 0 | 112.5 | L243 R244 | M240-L243 HydrophobicContact SD-CD1 4.37Å; M240-R244 WeakPolarHBondContact O-CG 3.49Å; M240-R244 PolarHBondContact O-N 2.99Å |
| 241 | N | 65.1 | Low | 58.3 | Low | 78 Ų | 78 | 135.1 Ų | 135.1 | 42% | 0.417 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -74.3 | -37.3 | 176.5 | -70 | -17.7 | 0 | 0 | 0 | 112.2 | N237 Q238 L239 R244 N245 | N237-N241 WeakPolarHBondContact O-CB 3.33Å; N237-N241 PolarHBondContact O-N 3.24Å; N237-N241 PolarHBondContact O-ND2 2.94Å; N237-N241 VanDerWaalsContact O-ND2 3.12Å; Q238-N241 PolarHBondContact O-N 3.13Å; L239-N241 VanDerWaalsContact C-N 3.32Å; L239-N241 PolarHBondContact O-N 3.11Å; N241-R244 PolarHBondContact O-N 3.45Å; N241-N245 PolarHBondContact O-N 3.47Å; N241-N245 PolarHBondContact O-ND2 3.42Å |
| 242 | T | 70 | Confident | 58.7 | Low | 90 Ų | 90 | 133.5 Ų | 133.5 | 55% | 0.552 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -63 | -44.9 | 172.8 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | Q238 L239 R244 N245 D246 | Q238-T242 PolarHBondContact O-N 3.38Å; Q238-T242 VanDerWaalsContact O-N 3.1Å; Q238-T242 PolarHBondContact O-OG1 3.43Å; Q238-T242 VanDerWaalsContact O-OG1 3.11Å; L239-T242 PolarHBondContact O-N 3.12Å; T242-R244 PolarHBondContact O-N 2.99Å; T242-N245 PolarHBondContact O-N 2.89Å; T242-D246 PolarHBondContact O-N 3.02Å |
| 243 | L | 70.5 | Confident | 59.4 | Low | 92 Ų | 92 | 125.1 Ų | 125.1 | 48% | 0.482 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -62.7 | -39.6 | 177.6 | -68.5 | 166.7 | 0 | 0 | 0 | 112.4 | L239 M240 N245 D246 L247 | L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.38Å; L239-L243 PolarHBondContact O-N 3.12Å; L239-L243 VanDerWaalsContact O-N 3.09Å; M240-L243 HydrophobicContact SD-CD1 4.37Å; L243-N245 VanDerWaalsContact C-N 3.34Å; L243-N245 PolarHBondContact O-N 3.16Å; L243-D246 PolarHBondContact O-N 3.06Å; L243-L247 HydrophobicContact CB-CD1 4.47Å; L243-L247 WeakPolarHBondContact O-CB 3.32Å; L243-L247 WeakPolarHBondContact O-CD1 3.45Å; L243-L247 PolarHBondContact O-N 3.24Å; L243-L247 VanDerWaalsContact O-N 3.11Å |
| 244 | R | 69.1 | Low | 60 | Low | 177 Ų | 177 | 122.7 Ų | 122.7 | 67% | 0.668 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -61.5 | -39.7 | 175.3 | -86.4 | -178.9 | 174.9 | 153 | -4.2 | 113.3 | M240 N241 T242 | M240-R244 WeakPolarHBondContact O-CG 3.49Å; M240-R244 PolarHBondContact O-N 2.99Å; N241-R244 PolarHBondContact O-N 3.45Å; T242-R244 PolarHBondContact O-N 2.99Å |
| 245 | N | 66.3 | Low | 60.3 | Low | 133 Ų | 133 | 121 Ų | 121 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -71.9 | -37.6 | 177.9 | -71.7 | -47.1 | 0 | 0 | 0 | 112.2 | N241 T242 L243 | N241-N245 PolarHBondContact O-N 3.47Å; N241-N245 PolarHBondContact O-ND2 3.42Å; T242-N245 PolarHBondContact O-N 2.89Å; L243-N245 VanDerWaalsContact C-N 3.34Å; L243-N245 PolarHBondContact O-N 3.16Å |
| 246 | D | 66.5 | Low | 61.1 | Low | 139 Ų | 139 | 122.2 Ų | 122.2 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.1 | -31.5 | -177.5 | -128.6 | 28.3 | 0 | 0 | 0 | 112.8 | T242 L243 | T242-D246 PolarHBondContact O-N 3.02Å; L243-D246 PolarHBondContact O-N 3.06Å |
| 247 | L | 70.3 | Confident | 61.3 | Low | 107 Ų | 107 | 124 Ų | 124 | 56% | 0.56 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 1.5 | -176.1 | -80.1 | 142.5 | 0 | 0 | 0 | 114.5 | L243 L249 | L243-L247 HydrophobicContact CB-CD1 4.47Å; L243-L247 WeakPolarHBondContact O-CB 3.32Å; L243-L247 WeakPolarHBondContact O-CD1 3.45Å; L243-L247 PolarHBondContact O-N 3.24Å; L243-L247 VanDerWaalsContact O-N 3.11Å; L247-L249 HydrophobicContact CB-CD1 4.02Å; L247-L249 HydrophobicContact CB-CG 3.83Å; L247-L249 WeakPolarHBondContact O-CG 3.28Å; L247-L249 PolarHBondContact O-N 3.45Å |
| 248 | Q | 59.6 | Low | 61.5 | Low | 178 Ų | 178 | 125.7 Ų | 125.7 | 83% | 0.832 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 41.6 | 37.1 | -178.2 | -65.9 | -167.8 | -19.7 | 0 | 0 | 114 | S250 | Q248-S250 PolarHBondContact O-N 3.24Š|
| 249 | L | 51.4 | Low | 61 | Low | 131 Ų | 131 | 129.2 Ų | 129.2 | 69% | 0.686 | 71% | 0.712 | S | S | * | * | trans | -79.3 | 92.5 | -179.1 | -61.6 | 175.7 | 0 | 0 | 0 | 107.9 | L247 E251 | L247-L249 HydrophobicContact CB-CD1 4.02Å; L247-L249 HydrophobicContact CB-CG 3.83Å; L247-L249 WeakPolarHBondContact O-CG 3.28Å; L247-L249 PolarHBondContact O-N 3.45Å; L249-E251 PolarHBondContact O-N 2.94Å | ||
| 250 | S | 48.4 | Very low | 60.7 | Low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | trans | -58.5 | 123.9 | 162.7 | 50.8 | 0 | 0 | 0 | 0 | 108.4 | Q248 S252 | Q248-S250 PolarHBondContact O-N 3.24Å; S250-S252 VanDerWaalsContact C-N 3.29Å; S250-S252 PolarHBondContact O-N 2.98Å | ||
| 251 | E | 58.3 | Low | 60.5 | Low | 194 Ų | 194 | 130.4 Ų | 130.4 | 91% | 0.907 | 72% | 0.724 | S | S | * | * | trans | -55.8 | 88.4 | 165.7 | 48.8 | -164.8 | 117.4 | 0 | 0 | 110.1 | L249 G253 | L249-E251 PolarHBondContact O-N 2.94Å; E251-G253 PolarHBondContact O-N 3Å | ||
| 252 | S | 46.1 | Very low | 60.2 | Low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -85.1 | 98.7 | 171.3 | -73.7 | 0 | 0 | 0 | 0 | 109.2 | S250 | S250-S252 VanDerWaalsContact C-N 3.29Å; S250-S252 PolarHBondContact O-N 2.98Å | ||
| 253 | G | 53.9 | Low | 59.7 | Low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | 8.6 | 116.1 | 154 | 0 | 0 | 0 | 0 | 0 | 118 | E251 D255 | E251-G253 PolarHBondContact O-N 3Å; G253-D255 PolarHBondContact O-N 3.24Å | ||
| 254 | S | 55 | Low | 59 | Low | 120 Ų | 120 | 138.6 Ų | 138.6 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -54.3 | 121.3 | 147.4 | -161.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 255 | D | 59.4 | Low | 58.3 | Low | 162 Ų | 162 | 136.1 Ų | 136.1 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -117.9 | 119.2 | 166 | -160.5 | 17.2 | 0 | 0 | 0 | 108 | G253 | G253-D255 PolarHBondContact O-N 3.24Š| ||
| 256 | S | 65.8 | Low | 57.7 | Low | 80 Ų | 80 | 136.3 Ų | 136.3 | 56% | 0.559 | 78% | 0.781 | S | S | * | * | trans | -125.3 | 121.3 | 178.3 | 45.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 257 | D | 60.2 | Low | 57.1 | Low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | 154.8 | 146 | 129.2 | -75.7 | -27.4 | 0 | 0 | 0 | 113.7 | |||||
| 258 | D | 60.3 | Low | 56 | Low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | 62.2 | 107 | 155.1 | -74.1 | -37.9 | 0 | 0 | 0 | 121.8 | ||||
| 259 | D | 53.3 | Low | 55.6 | Low | 235 Ų | 235 | 134.9 Ų | 134.9 | 100% | 1.257 | 80% | 0.799 | S | S | * | * | 178.5 | 0 | 91.6 | -102.5 | -46.3 | 0 | 0 | 0 | 111.3 |
Retrieved 259 of 259 residues in 468.6 ms
(Link to these results)