| 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 | 48.2 | Very low | 44.4 | Very low | 247 Ų | 247 | 150.6 Ų | 150.6 | 100% | 1.217 | 83% | 0.83 | S | S | * | * | 0 | 93.3 | 0 | -83.1 | 167.7 | 166.7 | 0 | 0 | 107 | |||||
| 2 | L | 41.4 | Very low | 44.1 | Very low | 178 Ų | 178 | 156.5 Ų | 156.5 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | trans | -133.5 | 122 | 177.5 | -89.2 | 163.8 | 0 | 0 | 0 | 108 | ||||
| 3 | D | 42.5 | Very low | 44.2 | Very low | 148 Ų | 148 | 152.5 Ų | 152.5 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -64.1 | 137.4 | 168.6 | -145.3 | -45.9 | 0 | 0 | 0 | 110 | ||||
| 4 | R | 45.5 | Very low | 43.9 | Very low | 204 Ų | 204 | 149.5 Ų | 149.5 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | 166.4 | 149.1 | 122.4 | -95.2 | 175.8 | 76.3 | 170.1 | 4.9 | 114.9 | |||||
| 5 | D | 41.9 | Very low | 43.6 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | 96.9 | 96.7 | 150.9 | -61.3 | -28 | 0 | 0 | 0 | 118.2 | ||||
| 6 | V | 50 | Low | 43.4 | Very low | 151 Ų | 151 | 152.1 Ų | 152.1 | 92% | 0.915 | 81% | 0.812 | S | S | * | * | trans | -55.7 | 125.1 | 159.4 | 176 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 7 | G | 39.7 | Very low | 43.3 | Very low | 61 Ų | 61 | 152.4 Ų | 152.4 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | trans | -129.4 | 153.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 8 | P | 45 | Very low | 43.1 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -79 | 141.7 | -148.8 | 31.5 | -34.6 | 0 | 0 | 0 | 113.5 | P10 | P8-P10 WeakPolarHBondContact O-CD 3.48Š| ||
| 9 | T | 48.9 | Very low | 43.3 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | trans | -59.7 | 125.4 | 165.8 | 34.3 | 0 | 0 | 0 | 0 | 110.6 | M11 | T9-M11 PolarHBondContact O-N 3.2Š| ||
| 10 | P | 43.9 | Very low | 43.3 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -70 | 114.2 | 165.4 | -11.5 | 26.8 | 0 | 0 | 0 | 108.4 | P8 Y12 | P8-P10 WeakPolarHBondContact O-CD 3.48Å; P10-Y12 PolarHBondContact O-N 3.16Å; P10-Y12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | M | 41.4 | Very low | 43.4 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | trans | -60.3 | 112.2 | 169.8 | -70.4 | -79.9 | -84.4 | 0 | 0 | 108.8 | T9 | T9-M11 PolarHBondContact O-N 3.2Š| ||
| 12 | Y | 41.1 | Very low | 42.9 | Very low | 221 Ų | 221 | 139.4 Ų | 139.4 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -65.1 | 127 | 160.4 | -76.4 | -91 | 0 | 0 | 0 | 108 | P10 | P10-Y12 PolarHBondContact O-N 3.16Å; P10-Y12 VanDerWaalsContact O-N 3.16Å | ||
| 13 | P | 44.6 | Very low | 42.6 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | -68.3 | 134.1 | 164.4 | 28 | -29 | 0 | 0 | 0 | 107.9 | T15 | P13-T15 PolarHBondContact O-N 3.02Š| ||
| 14 | P | 40 | Very low | 42.6 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -69.1 | 106.8 | 173.5 | 20.1 | -17.5 | 0 | 0 | 0 | 107.8 | Y16 | P14-Y16 PolarHBondContact O-N 3.4Š| ||
| 15 | T | 39.3 | Very low | 42.4 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | -65.7 | 89.2 | 162.7 | 48.4 | 0 | 0 | 0 | 0 | 107.1 | P13 L17 | P13-T15 PolarHBondContact O-N 3.02Å; T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 2.94Å | ||
| 16 | Y | 41.5 | Very low | 42.6 | Very low | 215 Ų | 215 | 137.5 Ų | 137.5 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -53.5 | 106.4 | 156.2 | -94.2 | -94.8 | 0 | 0 | 0 | 106.3 | P14 E18 | P14-Y16 PolarHBondContact O-N 3.4Å; Y16-E18 VanDerWaalsContact C-N 3.31Å; Y16-E18 PolarHBondContact O-N 3.46Å | ||
| 17 | L | 41.8 | Very low | 42.5 | Very low | 157 Ų | 157 | 137 Ų | 137 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -63.8 | 98.6 | 167.5 | -76.9 | 159.9 | 0 | 0 | 0 | 106.7 | T15 P19 | T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 2.94Å; L17-P19 WeakPolarHBondContact O-CD 3.46Å | ||
| 18 | E | 39.7 | Very low | 42.8 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | -59.8 | 115.1 | 165.8 | -168.4 | 176.5 | 166.8 | 0 | 0 | 108.3 | Y16 G20 | Y16-E18 VanDerWaalsContact C-N 3.31Å; Y16-E18 PolarHBondContact O-N 3.46Å; E18-G20 VanDerWaalsContact C-N 3.28Å; E18-G20 PolarHBondContact O-N 3.48Å | ||
| 19 | P | 45.9 | Very low | 43.8 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -78.7 | 81.5 | 177 | -5.9 | 24.3 | 0 | 0 | 0 | 108.4 | L17 | L17-P19 WeakPolarHBondContact O-CD 3.46Š|
| 20 | G | 43.4 | Very low | 45.4 | Very low | 59 Ų | 59 | 132.3 Ų | 132.3 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | trans | -157.6 | 0.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | E18 | E18-G20 VanDerWaalsContact C-N 3.28Å; E18-G20 PolarHBondContact O-N 3.48Å | ||
| 21 | I | 45.1 | Very low | 47.5 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -133 | 100.4 | 175.6 | -55.4 | 174.9 | 0 | 0 | 0 | 107.5 | R23 | I21-R23 PolarHBondContact O-N 3.44Š|
| 22 | G | 37.1 | Very low | 49.8 | Very low | 65 Ų | 65 | 120.6 Ų | 120.6 | 67% | 0.67 | 65% | 0.651 | S | S | * | * | trans | -46.5 | 127 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | H24 | G22-H24 PolarHBondContact O-N 3.28Š| ||
| 23 | R | 35.9 | Very low | 52.2 | Low | 240 Ų | 240 | 116.1 Ų | 116.1 | 91% | 0.906 | 63% | 0.633 | S | S | * | * | trans | -54.6 | 106.3 | 169.9 | -68.1 | -179.1 | 175.8 | -164 | -1.4 | 106.9 | I21 T25 | I21-R23 PolarHBondContact O-N 3.44Å; R23-T25 PolarHBondContact O-N 3.18Å | ||
| 24 | H | 43 | Very low | 54.7 | Low | 165 Ų | 165 | 112.5 Ų | 112.5 | 76% | 0.764 | 61% | 0.606 | S | S | * | * | trans | -60.5 | 97.2 | 160.3 | -89.9 | -82.3 | 0 | 0 | 0 | 106.3 | G22 | G22-H24 PolarHBondContact O-N 3.28Š| ||
| 25 | T | 41.7 | Very low | 57.4 | Low | 86 Ų | 86 | 107.5 Ų | 107.5 | 53% | 0.528 | 57% | 0.573 | S | S | . | * | trans | -51.7 | 135.8 | 155.2 | 32.9 | 0 | 0 | 0 | 0 | 107.3 | R23 Y27 | R23-T25 PolarHBondContact O-N 3.18Å; T25-Y27 VanDerWaalsContact C-N 3.34Å; T25-Y27 WeakPolarHBondContact O-CD2 3.5Å; T25-Y27 PolarHBondContact O-N 2.84Å | ||
| 26 | P | 45.7 | Very low | 60.1 | Low | 130 Ų | 130 | 107.1 Ų | 107.1 | 84% | 0.844 | 56% | 0.561 | S | S | * | * | trans | -65.1 | 101.9 | 173.8 | 26.6 | -29.4 | 0 | 0 | 0 | 106.9 | G28 | P26-G28 PolarHBondContact O-N 2.97Š| ||
| 27 | Y | 46.8 | Very low | 62.7 | Low | 139 Ų | 139 | 99.5 Ų | 99.5 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | trans | -70.2 | 60.2 | 176.9 | -74.2 | -78.7 | 0 | 0 | 0 | 110.3 | T25 N29 Q30 | T25-Y27 VanDerWaalsContact C-N 3.34Å; T25-Y27 WeakPolarHBondContact O-CD2 3.5Å; T25-Y27 PolarHBondContact O-N 2.84Å; Y27-N29 PolarHBondContact O-N 3.33Å; Y27-Q30 HydrophobicContact CD1-CG 4.33Å | ||
| 28 | G | 47.3 | Very low | 65.4 | Low | 63 Ų | 63 | 92 Ų | 92 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | trans | -69.9 | 114.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P26 | P26-G28 PolarHBondContact O-N 2.97Š| ||
| 29 | N | 65.3 | Low | 68.2 | Low | 85 Ų | 85 | 85 Ų | 85 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | trans | 50.8 | 57.2 | 165.8 | -60.5 | 11.2 | 0 | 0 | 0 | 116.7 | Y27 T31 D32 Y33 E112 | Y27-N29 PolarHBondContact O-N 3.33Å; N29-T31 VanDerWaalsContact C-N 3.25Å; N29-T31 PolarHBondContact O-N 3.31Å; N29-D32 HydrophobicContact CB-CB 3.9Å; N29-D32 WeakPolarHBondContact CB-OD2 3.45Å; N29-D32 VanDerWaalsContact CG-OD2 3.29Å; N29-D32 PolarHBondContact ND2-OD2 3.5Å; N29-D32 PolarHBondContact O-N 3.2Å; N29-Y33 PolarHBondContact O-N 3.5Å; N29-E112 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 30 | Q | 82.1 | Confident | 70.6 | Confident | 65 Ų | 65 | 84.2 Ų | 84.2 | 30% | 0.304 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.3 | -33.7 | 174.9 | -72 | 177.5 | 77.2 | 0 | 0 | 112.5 | Y27 R34 M156 | Y27-Q30 HydrophobicContact CD1-CG 4.33Å; Q30-R34 PolarHBondContact O-N 2.81Å; Q30-M156 HydrophobicContact CB-CE 4.45Å |
| 31 | T | 88 | Confident | 73.2 | Confident | 1 Ų | 1 | 84.1 Ų | 84.1 | 1% | 0.006 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -77.7 | -32 | -178.4 | 65.6 | 0 | 0 | 0 | 0 | 112.4 | N29 Y33 R34 I35 E112 V119 L121 F150 M156 | N29-T31 VanDerWaalsContact C-N 3.25Å; N29-T31 PolarHBondContact O-N 3.31Å; T31-Y33 VanDerWaalsContact C-N 3.31Å; T31-Y33 PolarHBondContact O-N 3.03Å; T31-R34 WeakPolarHBondContact O-CB 3.47Å; T31-R34 PolarHBondContact O-N 3.46Å; T31-I35 PolarHBondContact O-N 3.01Å; T31-E112 WeakPolarHBondContact CB-OE1 3.11Å; T31-E112 PolarHBondContact N-OE1 2.6Å; T31-E112 WeakPolarHBondContact OG1-CG 3.16Å; T31-E112 PolarHBondContact OG1-OE1 2.91Å; T31-V119 HydrophobicContact CG2-CB 4.03Å; T31-V119 HydrophobicContact CG2-CG1 3.61Å; T31-L121 VanDerWaalsContact OG1-CD1 3.26Å; T31-L121 WeakPolarHBondContact OG1-CD1 3.49Å; T31-F150 HydrophobicContact CG2-CD2 3.63Å; T31-F150 HydrophobicContact CG2-CE2 3.98Å; T31-F150 HydrophobicContact CG2-CG 4.15Å; T31-M156 HydrophobicContact CG2-CE 3.61Å |
| 32 | D | 89.3 | Confident | 75.7 | Confident | 40 Ų | 40 | 77 Ų | 77 | 21% | 0.214 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 172 | -68.2 | -20.2 | 0 | 0 | 0 | 111.9 | N29 R34 I35 F36 P110 L121 | N29-D32 HydrophobicContact CB-CB 3.9Å; N29-D32 WeakPolarHBondContact CB-OD2 3.45Å; N29-D32 VanDerWaalsContact CG-OD2 3.29Å; N29-D32 PolarHBondContact ND2-OD2 3.5Å; N29-D32 PolarHBondContact O-N 3.2Å; D32-R34 VanDerWaalsContact C-N 3.28Å; D32-R34 PolarHBondContact O-N 3.1Å; D32-I35 PolarHBondContact O-N 3.42Å; D32-I35 VanDerWaalsContact O-N 3.13Å; D32-F36 PolarHBondContact O-N 2.92Å; D32-P110 WeakPolarHBondContact OD1-CG 3.33Å; D32-L121 WeakPolarHBondContact OD1-CD1 3.2Å |
| 33 | Y | 93.4 | Very high | 78.4 | Confident | 128 Ų | 128 | 80.7 Ų | 80.7 | 50% | 0.502 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 177.2 | -177.3 | -102.8 | 0 | 0 | 0 | 111.8 | N29 T31 I35 F36 E37 | N29-Y33 PolarHBondContact O-N 3.5Å; T31-Y33 VanDerWaalsContact C-N 3.31Å; T31-Y33 PolarHBondContact O-N 3.03Å; Y33-I35 VanDerWaalsContact C-N 3.3Å; Y33-I35 PolarHBondContact O-N 3.04Å; Y33-F36 HydrophobicContact CD2-CD1 4.1Å; Y33-F36 AromaticContact CE2-CD1 3.89Å; Y33-F36 HydrophobicContact CE2-CD1 3.89Å; Y33-F36 HydrophobicContact CE2-CE1 4.27Å; Y33-F36 WeakPolarHBondContact O-CB 3.36Å; Y33-F36 PolarHBondContact O-N 2.67Å; Y33-E37 HydrophobicContact CD1-CG 4.17Å; Y33-E37 HydrophobicContact CE1-CG 3.65Å; Y33-E37 WeakPolarHBondContact CE1-OE1 3.22Å; Y33-E37 HydrophobicContact CE2-CG 4.44Å; Y33-E37 WeakPolarHBondContact O-CG 3.4Å; Y33-E37 PolarHBondContact O-N 3.23Å; Y33-E37 PolarHBondContact OH-OE1 2.71Å; Y33-E37 VanDerWaalsContact OH-OE1 3.08Å |
| 34 | R | 95.6 | Very high | 81.2 | Confident | 29 Ų | 29 | 74 Ų | 74 | 11% | 0.109 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.6 | -36.5 | 174.2 | -66.8 | -65.6 | -68.7 | 147.1 | -5.9 | 112.6 | Q30 T31 D32 E37 L38 E60 F150 M155 M156 | Q30-R34 PolarHBondContact O-N 2.81Å; T31-R34 WeakPolarHBondContact O-CB 3.47Å; T31-R34 PolarHBondContact O-N 3.46Å; D32-R34 VanDerWaalsContact C-N 3.28Å; D32-R34 PolarHBondContact O-N 3.1Å; R34-E37 IonicContact CZ-OE2 3.78Å; R34-E37 IonicContact NH1-OE2 2.78Å; R34-E37 PolarHBondContact NH1-OE2 3.38Å; R34-E37 PolarHBondContact O-N 3.46Å; R34-L38 WeakPolarHBondContact O-CB 3.34Å; R34-L38 PolarHBondContact O-N 3.31Å; R34-E60 PolarHBondContact NH2-O 2.9Å; R34-F150 HydrophobicContact CB-CE1 3.86Å; R34-F150 HydrophobicContact CB-CZ 4.39Å; R34-F150 HydrophobicContact CG-CE1 4.36Å; R34-M155 PolarHBondContact NE-O 3.22Å; R34-M155 PolarHBondContact NH2-O 3.33Å; R34-M156 HydrophobicContact CG-CB 4.01Å; R34-M156 PolarHBondContact NE-O 3.16Å |
| 35 | I | 96.8 | Very high | 83.6 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.2 | -35.4 | 175.2 | -59.8 | -64.3 | 0 | 0 | 0 | 111.6 | T31 D32 Y33 L38 N39 L107 L148 F150 | T31-I35 PolarHBondContact O-N 3.01Å; D32-I35 PolarHBondContact O-N 3.42Å; D32-I35 VanDerWaalsContact O-N 3.13Å; Y33-I35 VanDerWaalsContact C-N 3.3Å; Y33-I35 PolarHBondContact O-N 3.04Å; I35-L38 PolarHBondContact O-N 3.37Å; I35-N39 WeakPolarHBondContact O-CB 3.35Å; I35-N39 VanDerWaalsContact O-CG 3.26Å; I35-N39 PolarHBondContact O-N 3.11Å; I35-N39 PolarHBondContact O-ND2 3.25Å; I35-L107 HydrophobicContact CB-CD1 4.14Å; I35-L107 HydrophobicContact CG1-CD1 3.86Å; I35-L107 HydrophobicContact CG2-CD1 3.89Å; I35-L107 HydrophobicContact CG2-CG 4.32Å; I35-L148 HydrophobicContact CD1-CD1 3.43Å; I35-L148 VanDerWaalsContact CD1-CD1 3.43Å; I35-L148 HydrophobicContact CG1-CD1 4.04Å; I35-F150 HydrophobicContact CD1-CZ 4.22Å; I35-F150 HydrophobicContact CG1-CZ 4.38Å |
| 36 | F | 96.2 | Very high | 86 | Confident | 116 Ų | 116 | 67.5 Ų | 67.5 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 170 | 169.6 | -95.9 | 0 | 0 | 0 | 112 | D32 Y33 N39 K40 | D32-F36 PolarHBondContact O-N 2.92Å; Y33-F36 HydrophobicContact CD2-CD1 4.1Å; Y33-F36 AromaticContact CE2-CD1 3.89Å; Y33-F36 HydrophobicContact CE2-CD1 3.89Å; Y33-F36 HydrophobicContact CE2-CE1 4.27Å; Y33-F36 WeakPolarHBondContact O-CB 3.36Å; Y33-F36 PolarHBondContact O-N 2.67Å; F36-N39 PolarHBondContact O-N 3.02Å; F36-K40 HydrophobicContact CE1-CD 4.44Å; F36-K40 WeakPolarHBondContact O-CB 3.49Å; F36-K40 PolarHBondContact O-N 3.46Å |
| 37 | E | 97.1 | Very high | 88.1 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.9 | -71.3 | -173 | 136.7 | 0 | 0 | 112.4 | Y33 R34 N39 K40 R41 F61 | Y33-E37 HydrophobicContact CD1-CG 4.17Å; Y33-E37 HydrophobicContact CE1-CG 3.65Å; Y33-E37 WeakPolarHBondContact CE1-OE1 3.22Å; Y33-E37 HydrophobicContact CE2-CG 4.44Å; Y33-E37 WeakPolarHBondContact O-CG 3.4Å; Y33-E37 PolarHBondContact O-N 3.23Å; Y33-E37 PolarHBondContact OH-OE1 2.71Å; Y33-E37 VanDerWaalsContact OH-OE1 3.08Å; R34-E37 IonicContact CZ-OE2 3.78Å; R34-E37 IonicContact NH1-OE2 2.78Å; R34-E37 PolarHBondContact NH1-OE2 3.38Å; R34-E37 PolarHBondContact O-N 3.46Å; E37-N39 PolarHBondContact O-N 3.04Å; E37-K40 WeakPolarHBondContact O-CB 3.1Å; E37-K40 PolarHBondContact O-N 3.09Å; E37-R41 PolarHBondContact O-N 2.88Å; E37-F61 HydrophobicContact CB-CE1 3.97Å; E37-F61 HydrophobicContact CB-CZ 4.31Å |
| 38 | L | 97.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 175.4 | -174.5 | 156.5 | 0 | 0 | 0 | 110.8 | R34 I35 K40 R41 L42 F57 F61 Y105 I158 W161 | R34-L38 WeakPolarHBondContact O-CB 3.34Å; R34-L38 PolarHBondContact O-N 3.31Å; I35-L38 PolarHBondContact O-N 3.37Å; L38-K40 VanDerWaalsContact C-N 3.33Å; L38-K40 PolarHBondContact O-N 3.01Å; L38-R41 PolarHBondContact O-N 2.84Å; L38-L42 HydrophobicContact CD2-CD1 3.58Å; L38-L42 HydrophobicContact CD2-CG 4.25Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 2.53Å; L38-F57 HydrophobicContact CD1-CZ 4.4Å; L38-F57 HydrophobicContact CD2-CZ 4.23Å; L38-F57 HydrophobicContact CG-CE2 4.14Å; L38-F57 HydrophobicContact CG-CZ 3.95Å; L38-F61 HydrophobicContact CB-CD1 3.94Å; L38-F61 HydrophobicContact CB-CE1 3.87Å; L38-F61 HydrophobicContact CB-CG 4.3Å; L38-F61 HydrophobicContact CB-CZ 4.19Å; L38-F61 HydrophobicContact CD1-CB 4.23Å; L38-F61 HydrophobicContact CD1-CD1 4.36Å; L38-F61 HydrophobicContact CD1-CG 4.14Å; L38-F61 HydrophobicContact CG-CD1 4.38Å; L38-F61 HydrophobicContact CG-CD2 4.35Å; L38-F61 HydrophobicContact CG-CG 4.25Å; L38-Y105 HydrophobicContact CD2-CD2 4.08Å; L38-Y105 HydrophobicContact CD2-CE2 4.26Å; L38-I158 HydrophobicContact CD1-CD1 4.09Å; L38-W161 HydrophobicContact CD1-CZ3 3.93Å |
| 39 | N | 97.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 69.6 Ų | 69.6 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 176.4 | -72 | -23.5 | 0 | 0 | 0 | 111.8 | I35 F36 E37 R41 L42 Q43 Y104 Y105 | I35-N39 WeakPolarHBondContact O-CB 3.35Å; I35-N39 VanDerWaalsContact O-CG 3.26Å; I35-N39 PolarHBondContact O-N 3.11Å; I35-N39 PolarHBondContact O-ND2 3.25Å; F36-N39 PolarHBondContact O-N 3.02Å; E37-N39 PolarHBondContact O-N 3.04Å; N39-R41 VanDerWaalsContact C-N 3.31Å; N39-R41 PolarHBondContact O-N 2.8Å; N39-L42 PolarHBondContact O-N 2.72Å; N39-Q43 WeakPolarHBondContact O-CG 3.35Å; N39-Q43 PolarHBondContact O-N 3.25Å; N39-Q43 VanDerWaalsContact O-N 3.12Å; N39-Y104 WeakPolarHBondContact OD1-CA 3.39Å; N39-Y105 PolarHBondContact ND2-O 3.39Å; N39-Y105 PolarHBondContact OD1-N 3.04Å |
| 40 | K | 97.6 | Very high | 93.6 | Very high | 121 Ų | 121 | 69.4 Ų | 69.4 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 177.3 | -172.9 | -179.4 | 179.7 | -175 | 0 | 111.6 | F36 E37 L38 Q43 | F36-K40 HydrophobicContact CE1-CD 4.44Å; F36-K40 WeakPolarHBondContact O-CB 3.49Å; F36-K40 PolarHBondContact O-N 3.46Å; E37-K40 WeakPolarHBondContact O-CB 3.1Å; E37-K40 PolarHBondContact O-N 3.09Å; L38-K40 VanDerWaalsContact C-N 3.33Å; L38-K40 PolarHBondContact O-N 3.01Å; K40-Q43 WeakPolarHBondContact O-CB 3.27Å; K40-Q43 PolarHBondContact O-N 2.96Å |
| 41 | R | 97.6 | Very high | 94.2 | Very high | 58 Ų | 58 | 70.1 Ų | 70.1 | 22% | 0.219 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 176.6 | -168 | 72.1 | 174.4 | 96.7 | 1.6 | 111.8 | E37 L38 N39 Q43 N44 F57 E60 F61 | E37-R41 PolarHBondContact O-N 2.88Å; L38-R41 PolarHBondContact O-N 2.84Å; N39-R41 VanDerWaalsContact C-N 3.31Å; N39-R41 PolarHBondContact O-N 2.8Å; R41-Q43 VanDerWaalsContact C-N 3.29Å; R41-Q43 PolarHBondContact O-N 3.29Å; R41-N44 WeakPolarHBondContact O-CB 3.31Å; R41-N44 PolarHBondContact O-N 2.68Å; R41-N44 VanDerWaalsContact O-N 3.16Å; R41-F57 HydrophobicContact CB-CD2 4.2Å; R41-F57 HydrophobicContact CB-CE2 4.3Å; R41-F57 HydrophobicContact CG-CD2 3.74Å; R41-F57 HydrophobicContact CG-CE2 4.33Å; R41-E60 IonicContact NE-OE2 2.92Å; R41-E60 PolarHBondContact NE-OE2 3.24Å; R41-F61 HydrophobicContact CB-CE2 3.72Å; R41-F61 HydrophobicContact CB-CZ 3.93Å; R41-F61 HydrophobicContact CG-CE2 3.91Å; R41-F61 HydrophobicContact CG-CZ 4.47Å |
| 42 | L | 97 | Very high | 94.5 | Very high | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.9 | -30.4 | 175.8 | -70.9 | 174.2 | 0 | 0 | 0 | 112.9 | L38 N39 N44 W45 W54 F57 F96 L103 Y105 | L38-L42 HydrophobicContact CD2-CD1 3.58Å; L38-L42 HydrophobicContact CD2-CG 4.25Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 2.53Å; N39-L42 PolarHBondContact O-N 2.72Å; L42-N44 PolarHBondContact O-N 3.36Å; L42-W45 WeakPolarHBondContact O-CB 3.29Å; L42-W45 PolarHBondContact O-N 2.87Å; L42-W45 VanDerWaalsContact O-N 3.1Å; L42-W54 HydrophobicContact CD2-CH2 4.24Å; L42-W54 HydrophobicContact CD2-CZ3 4.04Å; L42-F57 HydrophobicContact CD2-CD2 4.38Å; L42-F57 HydrophobicContact CD2-CE1 4.46Å; L42-F57 HydrophobicContact CD2-CE2 3.71Å; L42-F57 HydrophobicContact CD2-CZ 3.76Å; L42-F57 HydrophobicContact CG-CE2 3.86Å; L42-F57 HydrophobicContact CG-CZ 4.1Å; L42-F96 HydrophobicContact CD2-CE2 4.43Å; L42-L103 HydrophobicContact CD1-CB 4.31Å; L42-L103 HydrophobicContact CD1-CD2 3.89Å; L42-L103 HydrophobicContact CD1-CG 3.87Å; L42-Y105 HydrophobicContact CD1-CE2 4.46Å |
| 43 | Q | 94.3 | Very high | 94.9 | Very high | 143 Ų | 143 | 75.8 Ų | 75.8 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.5 | -22 | 173.8 | -70.1 | 172.1 | -1.5 | 0 | 0 | 113.4 | N39 K40 R41 W45 | N39-Q43 WeakPolarHBondContact O-CG 3.35Å; N39-Q43 PolarHBondContact O-N 3.25Å; N39-Q43 VanDerWaalsContact O-N 3.12Å; K40-Q43 WeakPolarHBondContact O-CB 3.27Å; K40-Q43 PolarHBondContact O-N 2.96Å; R41-Q43 VanDerWaalsContact C-N 3.29Å; R41-Q43 PolarHBondContact O-N 3.29Å; Q43-W45 PolarHBondContact O-N 2.87Å |
| 44 | N | 94.1 | Very high | 95.1 | Very high | 99 Ų | 99 | 69.9 Ų | 69.9 | 53% | 0.529 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 1.1 | 175.7 | -62.7 | -11.4 | 0 | 0 | 0 | 112.5 | R41 L42 | R41-N44 WeakPolarHBondContact O-CB 3.31Å; R41-N44 PolarHBondContact O-N 2.68Å; R41-N44 VanDerWaalsContact O-N 3.16Å; L42-N44 PolarHBondContact O-N 3.36Å |
| 45 | W | 94.7 | Very high | 95.2 | Very high | 45 Ų | 45 | 72.2 Ų | 72.2 | 17% | 0.17 | 35% | 0.35 | C | S | . | . | trans | -66 | 141.7 | 175.4 | 176.3 | 82.6 | 0 | 0 | 0 | 110.8 | L42 Q43 E47 W53 W54 F96 | L42-W45 WeakPolarHBondContact O-CB 3.29Å; L42-W45 PolarHBondContact O-N 2.87Å; L42-W45 VanDerWaalsContact O-N 3.1Å; Q43-W45 PolarHBondContact O-N 2.87Å; W45-E47 HydrophobicContact CH2-CG 3.86Å; W45-E47 HydrophobicContact CZ2-CG 4.42Å; W45-W53 HydrophobicContact CB-CH2 3.91Å; W45-W53 HydrophobicContact CB-CZ2 4.27Å; W45-W54 AromaticContact CD1-CZ2 3.39Å; W45-W54 HydrophobicContact CG-CZ2 4.34Å; W45-W54 AromaticContact NE1-CZ2 3.61Å; W45-F96 HydrophobicContact CB-CE1 4.22Å; W45-F96 HydrophobicContact CB-CZ 4.37Å; W45-F96 AromaticContact CD2-CD1 3.35Å; W45-F96 HydrophobicContact CD2-CD1 3.35Å; W45-F96 AromaticContact CD2-CE1 3.51Å; W45-F96 HydrophobicContact CD2-CE1 3.51Å; W45-F96 HydrophobicContact CD2-CG 4.05Å; W45-F96 HydrophobicContact CD2-CZ 4.34Å; W45-F96 AromaticContact CE2-CD1 3.53Å; W45-F96 AromaticContact CE2-CG 3.83Å; W45-F96 AromaticContact CE3-CD1 3.4Å; W45-F96 HydrophobicContact CE3-CD1 3.4Å; W45-F96 AromaticContact CE3-CE1 3.48Å; W45-F96 HydrophobicContact CE3-CE1 3.48Å; W45-F96 VanDerWaalsContact CE3-CE1 3.48Å; W45-F96 HydrophobicContact CE3-CG 4.46Å; W45-F96 HydrophobicContact CG-CD1 4.02Å; W45-F96 AromaticContact CG-CE1 3.85Å; W45-F96 HydrophobicContact CG-CE1 3.85Å; W45-F96 HydrophobicContact CG-CZ 4.23Å; W45-F96 HydrophobicContact CH2-CB 4.27Å; W45-F96 AromaticContact CH2-CD1 3.78Å; W45-F96 HydrophobicContact CH2-CD1 3.78Å; W45-F96 HydrophobicContact CH2-CG 4.44Å; W45-F96 HydrophobicContact CZ2-CB 3.77Å; W45-F96 AromaticContact CZ2-CD1 3.75Å; W45-F96 HydrophobicContact CZ2-CD1 3.75Å; W45-F96 HydrophobicContact CZ2-CG 4.05Å; W45-F96 AromaticContact CZ3-CD1 3.62Å; W45-F96 HydrophobicContact CZ3-CD1 3.62Å; W45-F96 HydrophobicContact CZ3-CE1 4.09Å | ||
| 46 | T | 92.1 | Very high | 95.2 | Very high | 70 Ų | 70 | 74.3 Ų | 74.3 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | trans | -138.1 | 162.9 | 171.9 | 63.9 | 0 | 0 | 0 | 0 | 109 | E48 C49 | T46-E48 PolarHBondContact O-N 2.84Å; T46-C49 PolarHBondContact N-SG 2.78Å; T46-C49 VanDerWaalsContact O-CB 3.25Å; T46-C49 WeakPolarHBondContact O-CB 3.05Å; T46-C49 PolarHBondContact O-N 2.96Å; T46-C49 PolarHBondContact O-SG 3.3Å; T46-C49 PolarHBondContact OG1-SG 2.84Å | ||
| 47 | E | 89.4 | Confident | 95.3 | Very high | 174 Ų | 174 | 68.8 Ų | 68.8 | 81% | 0.813 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.8 | 176.8 | -65.1 | 179.9 | -171.9 | 0 | 0 | 113.4 | W45 C49 | W45-E47 HydrophobicContact CH2-CG 3.86Å; W45-E47 HydrophobicContact CZ2-CG 4.42Å; E47-C49 VanDerWaalsContact C-N 3.35Å |
| 48 | E | 90.6 | Very high | 95.4 | Very high | 181 Ų | 181 | 66.1 Ų | 66.1 | 85% | 0.846 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8.6 | 177.5 | -60.7 | -179.2 | 176.2 | 0 | 0 | 113.4 | T46 D50 | T46-E48 PolarHBondContact O-N 2.84Å; E48-D50 PolarHBondContact O-N 2.8Å |
| 49 | C | 91.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 69.4 Ų | 69.4 | 14% | 0.142 | 35% | 0.351 | C | S | . | . | trans | -66.8 | 115.6 | -178.9 | -72.1 | 0 | 0 | 0 | 0 | 111.2 | T46 E47 W53 | T46-C49 PolarHBondContact N-SG 2.78Å; T46-C49 VanDerWaalsContact O-CB 3.25Å; T46-C49 WeakPolarHBondContact O-CB 3.05Å; T46-C49 PolarHBondContact O-N 2.96Å; T46-C49 PolarHBondContact O-SG 3.3Å; T46-C49 PolarHBondContact OG1-SG 2.84Å; E47-C49 VanDerWaalsContact C-N 3.35Å; C49-W53 HydrophobicContact CB-CB 4.13Å; C49-W53 HydrophobicContact CB-CD2 3.98Å; C49-W53 HydrophobicContact CB-CE3 4.23Å; C49-W53 HydrophobicContact CB-CG 3.94Å | ||
| 50 | D | 92.9 | Very high | 95.3 | Very high | 81 Ų | 81 | 72.4 Ų | 72.4 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | trans | -85.1 | -171.9 | -176.5 | 75 | -9 | 0 | 0 | 0 | 113.2 | E48 L52 W53 W54 | E48-D50 PolarHBondContact O-N 2.8Å; D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 2.83Å; D50-L52 PolarHBondContact OD1-N 2.83Å; D50-L52 VanDerWaalsContact OD2-CD1 3.32Å; D50-L52 WeakPolarHBondContact OD2-CD1 3.48Å; D50-W53 PolarHBondContact O-N 2.93Å; D50-W53 PolarHBondContact OD1-N 2.84Å; D50-W54 VanDerWaalsContact O-CD1 3.27Å | ||
| 51 | N | 93.1 | Very high | 95.3 | Very high | 80 Ų | 80 | 66.7 Ų | 66.7 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.7 | -34 | 177.3 | -71.5 | -42.4 | 0 | 0 | 0 | 112.8 | W53 W54 D55 R93 | N51-W53 VanDerWaalsContact C-N 3.3Å; N51-W53 PolarHBondContact O-N 2.96Å; N51-W54 PolarHBondContact O-N 2.81Å; N51-D55 PolarHBondContact O-N 2.82Å; N51-R93 PolarHBondContact OD1-NH1 2.85Å |
| 52 | L | 95.8 | Very high | 95.4 | Very high | 125 Ų | 125 | 64 Ų | 64 | 65% | 0.654 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.1 | -35.5 | -179.8 | -75.4 | 99 | 0 | 0 | 0 | 111.2 | D50 W54 D55 A56 | D50-L52 VanDerWaalsContact C-N 3.31Å; D50-L52 PolarHBondContact O-N 2.83Å; D50-L52 PolarHBondContact OD1-N 2.83Å; D50-L52 VanDerWaalsContact OD2-CD1 3.32Å; D50-L52 WeakPolarHBondContact OD2-CD1 3.48Å; L52-W54 VanDerWaalsContact C-N 3.34Å; L52-W54 PolarHBondContact O-N 3.33Å; L52-D55 PolarHBondContact O-N 2.92Å; L52-A56 WeakPolarHBondContact O-CB 3.44Å; L52-A56 PolarHBondContact O-N 2.83Å |
| 53 | W | 97.4 | Very high | 95.4 | Very high | 36 Ų | 36 | 65 Ų | 65 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 174.2 | -172 | 100.8 | 0 | 0 | 0 | 111.8 | W45 C49 D50 N51 A56 F57 | W45-W53 HydrophobicContact CB-CH2 3.91Å; W45-W53 HydrophobicContact CB-CZ2 4.27Å; C49-W53 HydrophobicContact CB-CB 4.13Å; C49-W53 HydrophobicContact CB-CD2 3.98Å; C49-W53 HydrophobicContact CB-CE3 4.23Å; C49-W53 HydrophobicContact CB-CG 3.94Å; D50-W53 PolarHBondContact O-N 2.93Å; D50-W53 PolarHBondContact OD1-N 2.84Å; N51-W53 VanDerWaalsContact C-N 3.3Å; N51-W53 PolarHBondContact O-N 2.96Å; W53-A56 PolarHBondContact O-N 2.92Å; W53-F57 HydrophobicContact CE3-CB 4.43Å; W53-F57 HydrophobicContact CZ3-CB 4.28Å; W53-F57 WeakPolarHBondContact O-CB 3.25Å; W53-F57 PolarHBondContact O-N 2.86Å |
| 54 | W | 97.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.5 | -36.5 | 177.5 | -73.4 | 109.3 | 0 | 0 | 0 | 112.8 | L42 W45 D50 N51 L52 F57 T58 P89 F92 R93 F96 | L42-W54 HydrophobicContact CD2-CH2 4.24Å; L42-W54 HydrophobicContact CD2-CZ3 4.04Å; W45-W54 AromaticContact CD1-CZ2 3.39Å; W45-W54 HydrophobicContact CG-CZ2 4.34Å; W45-W54 AromaticContact NE1-CZ2 3.61Å; D50-W54 VanDerWaalsContact O-CD1 3.27Å; N51-W54 PolarHBondContact O-N 2.81Å; L52-W54 VanDerWaalsContact C-N 3.34Å; L52-W54 PolarHBondContact O-N 3.33Å; W54-F57 HydrophobicContact CE3-CD1 4.11Å; W54-F57 HydrophobicContact CE3-CG 4.49Å; W54-F57 HydrophobicContact CZ3-CD1 4.28Å; W54-T58 WeakPolarHBondContact O-CB 3.24Å; W54-T58 PolarHBondContact O-N 3.09Å; W54-T58 PolarHBondContact O-OG1 3.44Å; W54-P89 HydrophobicContact CB-CB 3.9Å; W54-F92 HydrophobicContact CE3-CB 3.72Å; W54-F92 HydrophobicContact CH2-CB 4.07Å; W54-F92 HydrophobicContact CZ3-CB 3.36Å; W54-F92 HydrophobicContact CZ3-CG 4.33Å; W54-R93 HydrophobicContact CD2-CB 4.08Å; W54-R93 HydrophobicContact CG-CB 4.15Å; W54-R93 HydrophobicContact CZ2-CB 4.36Å; W54-F96 AromaticContact CH2-CD2 3.56Å; W54-F96 HydrophobicContact CH2-CD2 3.56Å; W54-F96 AromaticContact CH2-CE2 3.46Å; W54-F96 HydrophobicContact CH2-CE2 3.46Å; W54-F96 VanDerWaalsContact CH2-CE2 3.46Å; W54-F96 HydrophobicContact CH2-CZ 4.32Å; W54-F96 AromaticContact CZ2-CD2 3.72Å; W54-F96 HydrophobicContact CZ2-CD2 3.72Å; W54-F96 HydrophobicContact CZ2-CE2 4.06Å; W54-F96 HydrophobicContact CZ2-CG 4.34Å |
| 55 | D | 96.9 | Very high | 95.7 | Very high | 78 Ų | 78 | 63 Ų | 63 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 174.1 | -73 | -27.2 | 0 | 0 | 0 | 111.3 | N51 L52 T58 T59 P89 | N51-D55 PolarHBondContact O-N 2.82Å; L52-D55 PolarHBondContact O-N 2.92Å; D55-T58 PolarHBondContact O-N 3.09Å; D55-T59 WeakPolarHBondContact O-CB 3.41Å; D55-T59 PolarHBondContact O-N 3.41Å; D55-T59 PolarHBondContact O-OG1 2.86Å; D55-P89 VanDerWaalsContact OD1-CG 3.24Å; D55-P89 WeakPolarHBondContact OD1-CG 3.41Å |
| 56 | A | 97.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 40% | 0.397 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.1 | -48 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L52 W53 T58 T59 E60 | L52-A56 WeakPolarHBondContact O-CB 3.44Å; L52-A56 PolarHBondContact O-N 2.83Å; W53-A56 PolarHBondContact O-N 2.92Å; A56-T58 VanDerWaalsContact C-N 3.3Å; A56-T58 PolarHBondContact O-N 3.22Å; A56-T59 PolarHBondContact O-N 2.86Å; A56-E60 WeakPolarHBondContact O-CB 3.48Å; A56-E60 PolarHBondContact O-N 3.2Å |
| 57 | F | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -52.7 | -49.1 | 172.6 | 167.5 | -94.2 | 0 | 0 | 0 | 111.1 | L38 R41 L42 W53 W54 T59 E60 F61 F62 F92 | L38-F57 HydrophobicContact CD1-CZ 4.4Å; L38-F57 HydrophobicContact CD2-CZ 4.23Å; L38-F57 HydrophobicContact CG-CE2 4.14Å; L38-F57 HydrophobicContact CG-CZ 3.95Å; R41-F57 HydrophobicContact CB-CD2 4.2Å; R41-F57 HydrophobicContact CB-CE2 4.3Å; R41-F57 HydrophobicContact CG-CD2 3.74Å; R41-F57 HydrophobicContact CG-CE2 4.33Å; L42-F57 HydrophobicContact CD2-CD2 4.38Å; L42-F57 HydrophobicContact CD2-CE1 4.46Å; L42-F57 HydrophobicContact CD2-CE2 3.71Å; L42-F57 HydrophobicContact CD2-CZ 3.76Å; L42-F57 HydrophobicContact CG-CE2 3.86Å; L42-F57 HydrophobicContact CG-CZ 4.1Å; W53-F57 HydrophobicContact CE3-CB 4.43Å; W53-F57 HydrophobicContact CZ3-CB 4.28Å; W53-F57 WeakPolarHBondContact O-CB 3.25Å; W53-F57 PolarHBondContact O-N 2.86Å; W54-F57 HydrophobicContact CE3-CD1 4.11Å; W54-F57 HydrophobicContact CE3-CG 4.49Å; W54-F57 HydrophobicContact CZ3-CD1 4.28Å; F57-T59 VanDerWaalsContact C-N 3.32Å; F57-T59 PolarHBondContact O-N 2.78Å; F57-E60 WeakPolarHBondContact O-CB 3.42Å; F57-E60 PolarHBondContact O-N 3.33Å; F57-F61 AromaticContact CD2-CD2 3.78Å; F57-F61 HydrophobicContact CD2-CD2 3.78Å; F57-F61 AromaticContact CD2-CE2 3.81Å; F57-F61 HydrophobicContact CD2-CE2 3.81Å; F57-F61 AromaticContact CE2-CD2 3.61Å; F57-F61 HydrophobicContact CE2-CD2 3.61Å; F57-F61 AromaticContact CE2-CE2 3.74Å; F57-F61 HydrophobicContact CE2-CE2 3.74Å; F57-F61 HydrophobicContact CG-CD2 4.39Å; F57-F61 HydrophobicContact CZ-CD2 4.1Å; F57-F61 VanDerWaalsContact O-CD2 3.26Å; F57-F61 WeakPolarHBondContact O-CD2 3.23Å; F57-F61 PolarHBondContact O-N 3.04Å; F57-F62 HydrophobicContact CE1-CE2 4.46Å; F57-F92 HydrophobicContact CD1-CD2 4.46Å; F57-F92 HydrophobicContact CE1-CD1 4.36Å; F57-F92 AromaticContact CE1-CD2 3.73Å; F57-F92 HydrophobicContact CE1-CD2 3.73Å; F57-F92 HydrophobicContact CE1-CE1 4.49Å; F57-F92 AromaticContact CE1-CE2 3.88Å; F57-F92 HydrophobicContact CE1-CE2 3.88Å; F57-F92 AromaticContact CE1-CG 3.99Å; F57-F92 HydrophobicContact CE1-CG 3.99Å; F57-F92 HydrophobicContact CE1-CZ 4.27Å |
| 58 | T | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.3 | -34.9 | -177.5 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | W54 D55 A56 E60 F61 F62 R85 I88 P89 | W54-T58 WeakPolarHBondContact O-CB 3.24Å; W54-T58 PolarHBondContact O-N 3.09Å; W54-T58 PolarHBondContact O-OG1 3.44Å; D55-T58 PolarHBondContact O-N 3.09Å; A56-T58 VanDerWaalsContact C-N 3.3Å; A56-T58 PolarHBondContact O-N 3.22Å; T58-E60 VanDerWaalsContact C-N 3.31Å; T58-E60 PolarHBondContact O-N 3.35Å; T58-F61 PolarHBondContact O-N 3.37Å; T58-F62 HydrophobicContact CG2-CB 3.98Å; T58-F62 HydrophobicContact CG2-CD2 3.8Å; T58-F62 HydrophobicContact CG2-CG 4.09Å; T58-F62 WeakPolarHBondContact O-CA 3.43Å; T58-F62 VanDerWaalsContact O-CB 3.31Å; T58-F62 WeakPolarHBondContact O-CB 3.3Å; T58-F62 PolarHBondContact O-N 3.14Å; T58-R85 VanDerWaalsContact CG2-CZ 3.44Å; T58-R85 VanDerWaalsContact CG2-NH1 3.29Å; T58-I88 HydrophobicContact CG2-CB 3.86Å; T58-I88 HydrophobicContact CG2-CG2 3.6Å; T58-P89 HydrophobicContact CG2-CG 4.15Å; T58-P89 WeakPolarHBondContact OG1-CA 3.43Å; T58-P89 WeakPolarHBondContact OG1-CG 3.42Å |
| 59 | T | 97.6 | Very high | 96.8 | Very high | 69 Ų | 69 | 45.3 Ų | 45.3 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.9 | -33 | 176.9 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | D55 A56 F57 R85 R157 | D55-T59 WeakPolarHBondContact O-CB 3.41Å; D55-T59 PolarHBondContact O-N 3.41Å; D55-T59 PolarHBondContact O-OG1 2.86Å; A56-T59 PolarHBondContact O-N 2.86Å; F57-T59 VanDerWaalsContact C-N 3.32Å; F57-T59 PolarHBondContact O-N 2.78Å; T59-R85 VanDerWaalsContact CA-NH2 3.33Å; T59-R85 PolarHBondContact OG1-NH2 3.45Å; T59-R157 WeakPolarHBondContact O-CD 3.4Å; T59-R157 PolarHBondContact O-NH1 2.91Å |
| 60 | E | 97.6 | Very high | 97.1 | Very high | 84 Ų | 84 | 44.3 Ų | 44.3 | 39% | 0.393 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.5 | -35.7 | 178.1 | -173 | 179.4 | 170.1 | 0 | 0 | 112.7 | R34 R41 A56 F57 T58 | R34-E60 PolarHBondContact NH2-O 2.9Å; R41-E60 IonicContact NE-OE2 2.92Å; R41-E60 PolarHBondContact NE-OE2 3.24Å; A56-E60 WeakPolarHBondContact O-CB 3.48Å; A56-E60 PolarHBondContact O-N 3.2Å; F57-E60 WeakPolarHBondContact O-CB 3.42Å; F57-E60 PolarHBondContact O-N 3.33Å; T58-E60 VanDerWaalsContact C-N 3.31Å; T58-E60 PolarHBondContact O-N 3.35Å |
| 61 | F | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -110.9 | -18.9 | -173.2 | -64.3 | -70.1 | 0 | 0 | 0 | 115.5 | E37 L38 R41 F57 T58 I158 | E37-F61 HydrophobicContact CB-CE1 3.97Å; E37-F61 HydrophobicContact CB-CZ 4.31Å; L38-F61 HydrophobicContact CB-CD1 3.94Å; L38-F61 HydrophobicContact CB-CE1 3.87Å; L38-F61 HydrophobicContact CB-CG 4.3Å; L38-F61 HydrophobicContact CB-CZ 4.19Å; L38-F61 HydrophobicContact CD1-CB 4.23Å; L38-F61 HydrophobicContact CD1-CD1 4.36Å; L38-F61 HydrophobicContact CD1-CG 4.14Å; L38-F61 HydrophobicContact CG-CD1 4.38Å; L38-F61 HydrophobicContact CG-CD2 4.35Å; L38-F61 HydrophobicContact CG-CG 4.25Å; R41-F61 HydrophobicContact CB-CE2 3.72Å; R41-F61 HydrophobicContact CB-CZ 3.93Å; R41-F61 HydrophobicContact CG-CE2 3.91Å; R41-F61 HydrophobicContact CG-CZ 4.47Å; F57-F61 AromaticContact CD2-CD2 3.78Å; F57-F61 HydrophobicContact CD2-CD2 3.78Å; F57-F61 AromaticContact CD2-CE2 3.81Å; F57-F61 HydrophobicContact CD2-CE2 3.81Å; F57-F61 AromaticContact CE2-CD2 3.61Å; F57-F61 HydrophobicContact CE2-CD2 3.61Å; F57-F61 AromaticContact CE2-CE2 3.74Å; F57-F61 HydrophobicContact CE2-CE2 3.74Å; F57-F61 HydrophobicContact CG-CD2 4.39Å; F57-F61 HydrophobicContact CZ-CD2 4.1Å; F57-F61 VanDerWaalsContact O-CD2 3.26Å; F57-F61 WeakPolarHBondContact O-CD2 3.23Å; F57-F61 PolarHBondContact O-N 3.04Å; T58-F61 PolarHBondContact O-N 3.37Å; F61-I158 WeakPolarHBondContact O-CB 3.34Å; F61-I158 WeakPolarHBondContact O-CG1 3.44Å; F61-I158 PolarHBondContact O-N 3.27Å |
| 62 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143.7 | -175.4 | -65.1 | -97.3 | 0 | 0 | 0 | 112 | F57 T58 A66 I88 F92 I158 W161 | F57-F62 HydrophobicContact CE1-CE2 4.46Å; T58-F62 HydrophobicContact CG2-CB 3.98Å; T58-F62 HydrophobicContact CG2-CD2 3.8Å; T58-F62 HydrophobicContact CG2-CG 4.09Å; T58-F62 WeakPolarHBondContact O-CA 3.43Å; T58-F62 VanDerWaalsContact O-CB 3.31Å; T58-F62 WeakPolarHBondContact O-CB 3.3Å; T58-F62 PolarHBondContact O-N 3.14Å; F62-A66 HydrophobicContact CB-CB 3.91Å; F62-A66 HydrophobicContact CD1-CB 4.06Å; F62-A66 HydrophobicContact CG-CB 4.49Å; F62-I88 HydrophobicContact CD1-CD1 3.82Å; F62-I88 HydrophobicContact CD1-CG2 4.41Å; F62-I88 HydrophobicContact CD2-CG2 4.18Å; F62-I88 HydrophobicContact CE1-CD1 4.23Å; F62-I88 HydrophobicContact CE1-CG2 4.29Å; F62-I88 HydrophobicContact CE2-CG2 4.07Å; F62-I88 HydrophobicContact CG-CD1 4.26Å; F62-I88 HydrophobicContact CG-CG2 4.36Å; F62-I88 HydrophobicContact CZ-CG2 4.13Å; F62-F92 AromaticContact CE2-CE2 3.62Å; F62-F92 HydrophobicContact CE2-CE2 3.62Å; F62-F92 HydrophobicContact CE2-CZ 4.01Å; F62-F92 AromaticContact CZ-CE2 3.63Å; F62-F92 HydrophobicContact CZ-CE2 3.63Å; F62-F92 AromaticContact CZ-CZ 3.78Å; F62-F92 HydrophobicContact CZ-CZ 3.78Å; F62-I158 WeakPolarHBondContact CA-O 3.37Å; F62-I158 HydrophobicContact CD1-CB 3.9Å; F62-I158 HydrophobicContact CD1-CG2 4.01Å; F62-I158 HydrophobicContact CE1-CB 4.1Å; F62-I158 HydrophobicContact CE1-CD1 4.33Å; F62-I158 HydrophobicContact CE1-CG2 3.91Å; F62-I158 HydrophobicContact CG-CB 4.45Å; F62-I158 HydrophobicContact CZ-CD1 4.24Å; F62-W161 HydrophobicContact CE1-CB 4.15Å; F62-W161 HydrophobicContact CE1-CD2 4.49Å; F62-W161 AromaticContact CE1-CE3 3.96Å; F62-W161 HydrophobicContact CE1-CE3 3.96Å; F62-W161 HydrophobicContact CZ-CD2 4.45Å; F62-W161 AromaticContact CZ-CE3 3.74Å; F62-W161 HydrophobicContact CZ-CE3 3.74Å; F62-W161 HydrophobicContact CZ-CZ3 4.22Å |
| 63 | E | 98.1 | Very high | 97.1 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 161.8 | 169.9 | -79.7 | -60.4 | 126.9 | 0 | 0 | 112.5 | D65 A66 R85 M151 R157 I158 K159 | E63-D65 VanDerWaalsContact C-N 3.27Å; E63-D65 PolarHBondContact O-N 2.71Å; E63-A66 HydrophobicContact CB-CB 4.24Å; E63-A66 WeakPolarHBondContact O-CB 3.33Å; E63-A66 PolarHBondContact O-N 2.87Å; E63-R85 WeakPolarHBondContact O-CD 3.37Å; E63-R85 PolarHBondContact O-NE 2.95Å; E63-M151 HydrophobicContact CG-CB 4.47Å; E63-M151 HydrophobicContact CG-CG 3.59Å; E63-R157 HydrophobicContact CG-CB 4.09Å; E63-R157 WeakPolarHBondContact OE1-CB 3.17Å; E63-R157 IonicContact OE1-CZ 3.22Å; E63-R157 IonicContact OE1-NE 2.84Å; E63-R157 PolarHBondContact OE1-NE 3.24Å; E63-R157 IonicContact OE1-NH2 3.96Å; E63-R157 PolarHBondContact OE1-NH2 3.45Å; E63-R157 IonicContact OE2-CZ 3.95Å; E63-R157 IonicContact OE2-NH2 3.9Å; E63-R157 PolarHBondContact OE2-NH2 3.26Å; E63-I158 PolarHBondContact N-O 2.65Å; E63-K159 HydrophobicContact CG-CB 4.45Å |
| 64 | D | 96.8 | Very high | 96.5 | Very high | 113 Ų | 113 | 36.4 Ų | 36.4 | 60% | 0.604 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -24.1 | -179.7 | -65.3 | -33.3 | 0 | 0 | 0 | 112.8 | R85 | D64-R85 VanDerWaalsContact O-CB 3.26Å; D64-R85 WeakPolarHBondContact O-CB 3.46Å; D64-R85 WeakPolarHBondContact O-CG 3.05Å |
| 65 | D | 96.1 | Very high | 95.9 | Very high | 89 Ų | 89 | 46 Ų | 46 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 15.5 | 173.3 | 72.6 | -22.3 | 0 | 0 | 0 | 113 | E63 K159 | E63-D65 VanDerWaalsContact C-N 3.27Å; E63-D65 PolarHBondContact O-N 2.71Å; D65-K159 IonicContact OD1-NZ 2.86Å; D65-K159 WeakPolarHBondContact OD2-CE 3.42Å; D65-K159 IonicContact OD2-NZ 2.71Å; D65-K159 PolarHBondContact OD2-NZ 2.96Å |
| 66 | A | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 146.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F62 E63 G84 R85 I88 I158 K159 | F62-A66 HydrophobicContact CB-CB 3.91Å; F62-A66 HydrophobicContact CD1-CB 4.06Å; F62-A66 HydrophobicContact CG-CB 4.49Å; E63-A66 HydrophobicContact CB-CB 4.24Å; E63-A66 WeakPolarHBondContact O-CB 3.33Å; E63-A66 PolarHBondContact O-N 2.87Å; A66-G84 CarbonylContact O-C 3.51Å; A66-R85 PolarHBondContact O-N 3.22Å; A66-I88 HydrophobicContact CB-CD1 4.08Å; A66-I158 WeakPolarHBondContact CB-O 3.35Å; A66-K159 CarbonylContact C-O 3.59Å; A66-K159 WeakPolarHBondContact CA-O 3.43Å |
| 67 | M | 97.6 | Very high | 95 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 39% | 0.389 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 133.6 | 178.5 | -62 | -61 | -61.7 | 0 | 0 | 110.8 | T82 K159 W161 | M67-T82 HydrophobicContact CE-CG2 3.38Å; M67-K159 PolarHBondContact N-O 2.93Å; M67-W161 PolarHBondContact O-N 2.83Å |
| 68 | L | 98.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.3 | 177 | -174.4 | 154.4 | 0 | 0 | 0 | 110 | I70 T82 I83 I88 Y91 F92 W161 | L68-I70 HydrophobicContact CD2-CD1 3.77Å; L68-I70 HydrophobicContact CD2-CG1 3.67Å; L68-T82 CarbonylContact O-C 3.58Å; L68-T82 WeakPolarHBondContact O-CA 3.45Å; L68-I83 HydrophobicContact CB-CD1 4.47Å; L68-I83 HydrophobicContact CB-CG1 3.91Å; L68-I83 HydrophobicContact CD2-CD1 4.07Å; L68-I83 HydrophobicContact CD2-CG1 4.07Å; L68-I83 PolarHBondContact N-O 3.36Å; L68-I83 PolarHBondContact O-N 3.44Å; L68-I88 HydrophobicContact CB-CD1 4.11Å; L68-I88 HydrophobicContact CB-CG1 4.03Å; L68-I88 HydrophobicContact CD1-CG2 4.24Å; L68-Y91 HydrophobicContact CD1-CD1 3.59Å; L68-Y91 HydrophobicContact CD1-CE1 3.75Å; L68-Y91 HydrophobicContact CD1-CG 4.39Å; L68-Y91 HydrophobicContact CD2-CD1 4.1Å; L68-Y91 HydrophobicContact CD2-CD2 4.43Å; L68-Y91 HydrophobicContact CD2-CE1 4.08Å; L68-Y91 HydrophobicContact CD2-CE2 4.42Å; L68-Y91 HydrophobicContact CD2-CG 4.28Å; L68-F92 HydrophobicContact CD1-CE2 4.25Å; L68-F92 HydrophobicContact CD1-CZ 4.39Å; L68-W161 CarbonylContact C-O 3.46Å; L68-W161 WeakPolarHBondContact CA-O 3.44Å; L68-W161 HydrophobicContact CB-CB 4.31Å; L68-W161 HydrophobicContact CD1-CB 4.44Å; L68-W161 HydrophobicContact CD1-CG 4.11Å; L68-W161 HydrophobicContact CG-CB 4.11Å; L68-W161 HydrophobicContact CG-CG 3.99Å |
| 69 | T | 98.1 | Very high | 94.5 | Very high | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.104 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.1 | -178.5 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | R80 Y81 T82 W161 H162 F163 | T69-R80 HydrophobicContact CG2-CG 3.89Å; T69-Y81 CarbonylContact C-O 3.52Å; T69-Y81 VanDerWaalsContact CA-O 3.24Å; T69-Y81 WeakPolarHBondContact CA-O 3.12Å; T69-T82 WeakPolarHBondContact CG2-OG1 3.5Å; T69-T82 WeakPolarHBondContact OG1-CG2 3.26Å; T69-T82 PolarHBondContact OG1-OG1 3.29Å; T69-W161 PolarHBondContact N-O 3.41Å; T69-H162 WeakPolarHBondContact O-CA 3.47Å; T69-F163 PolarHBondContact O-N 2.88Å |
| 70 | I | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.4 | 172.9 | -51.9 | -61.1 | 0 | 0 | 0 | 108.5 | L68 F72 Y81 Y91 F163 I165 L199 | L68-I70 HydrophobicContact CD2-CD1 3.77Å; L68-I70 HydrophobicContact CD2-CG1 3.67Å; I70-F72 HydrophobicContact CG2-CD1 3.87Å; I70-F72 HydrophobicContact CG2-CE1 4.07Å; I70-Y81 PolarHBondContact N-O 3.41Å; I70-Y81 PolarHBondContact O-N 3.08Å; I70-Y91 HydrophobicContact CD1-CE2 4.37Å; I70-Y91 WeakPolarHBondContact CD1-OH 3.49Å; I70-Y91 HydrophobicContact CG1-CE2 4Å; I70-F163 WeakPolarHBondContact CA-O 3.47Å; I70-F163 HydrophobicContact CD1-CB 3.84Å; I70-I165 HydrophobicContact CG2-CD1 3.98Å; I70-L199 HydrophobicContact CG2-CD1 4.14Å |
| 71 | T | 96.9 | Very high | 94.3 | Very high | 34 Ų | 34 | 56.8 Ų | 56.8 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.3 | 178.3 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | K79 H162 F163 S164 I165 | T71-K79 WeakPolarHBondContact CA-O 3.36Å; T71-H162 PolarHBondContact OG1-NE2 3.32Å; T71-H162 VanDerWaalsContact OG1-NE2 3.1Å; T71-F163 PolarHBondContact N-O 2.88Å; T71-S164 CarbonylContact O-C 3.56Å; T71-I165 PolarHBondContact O-N 3.05Å |
| 72 | F | 94.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 161.9 | 177.7 | 51.8 | -85.3 | 0 | 0 | 0 | 110.5 | I70 L74 K79 Y81 I165 C197 L199 L204 L207 | I70-F72 HydrophobicContact CG2-CD1 3.87Å; I70-F72 HydrophobicContact CG2-CE1 4.07Å; F72-L74 HydrophobicContact CD2-CD2 4.26Å; F72-L74 HydrophobicContact CD2-CG 3.86Å; F72-L74 HydrophobicContact CE2-CD1 3.85Å; F72-L74 HydrophobicContact CE2-CD2 4.15Å; F72-L74 HydrophobicContact CE2-CG 3.7Å; F72-K79 HydrophobicContact CD2-CB 4.34Å; F72-K79 HydrophobicContact CE2-CB 4.07Å; F72-K79 HydrophobicContact CE2-CG 4.33Å; F72-K79 HydrophobicContact CZ-CB 4.26Å; F72-K79 PolarHBondContact N-O 2.88Å; F72-K79 PolarHBondContact O-N 3.39Å; F72-Y81 AromaticContact CE1-CD2 3.64Å; F72-Y81 HydrophobicContact CE1-CD2 3.64Å; F72-Y81 AromaticContact CE1-CE2 3.84Å; F72-Y81 HydrophobicContact CE1-CE2 3.84Å; F72-Y81 HydrophobicContact CE2-CE2 4.34Å; F72-Y81 AromaticContact CZ-CD2 3.75Å; F72-Y81 HydrophobicContact CZ-CD2 3.75Å; F72-Y81 AromaticContact CZ-CE2 3.43Å; F72-Y81 HydrophobicContact CZ-CE2 3.43Å; F72-Y81 VanDerWaalsContact CZ-CE2 3.43Å; F72-I165 HydrophobicContact CB-CB 3.99Å; F72-I165 HydrophobicContact CB-CD1 4.2Å; F72-I165 HydrophobicContact CD1-CD1 4.37Å; F72-C197 HydrophobicContact CB-CB 4.12Å; F72-C197 HydrophobicContact CD2-CB 4.11Å; F72-C197 HydrophobicContact CG-CB 4.34Å; F72-L199 HydrophobicContact CD1-CD1 4.06Å; F72-L199 HydrophobicContact CE1-CD1 3.73Å; F72-L199 HydrophobicContact CZ-CD1 4.18Å; F72-L204 HydrophobicContact CE1-CD2 4.23Å; F72-L204 HydrophobicContact CE2-CD2 3.71Å; F72-L204 HydrophobicContact CZ-CD2 3.33Å; F72-L207 HydrophobicContact CE1-CD1 4.46Å |
| 73 | C | 88.8 | Confident | 94 | Very high | 89 Ų | 89 | 59.7 Ų | 59.7 | 60% | 0.601 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.4 | 176.4 | -64.7 | 0 | 0 | 0 | 0 | 110.1 | C197 | C73-C197 PolarHBondContact O-SG 3.3Å |
| 74 | L | 86.3 | Confident | 93.8 | Very high | 32 Ų | 32 | 59.5 Ų | 59.5 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 174.8 | 167.1 | -73.7 | 177.1 | 0 | 0 | 0 | 109.9 | F72 D76 G77 K79 R196 | F72-L74 HydrophobicContact CD2-CD2 4.26Å; F72-L74 HydrophobicContact CD2-CG 3.86Å; F72-L74 HydrophobicContact CE2-CD1 3.85Å; F72-L74 HydrophobicContact CE2-CD2 4.15Å; F72-L74 HydrophobicContact CE2-CG 3.7Å; L74-D76 WeakPolarHBondContact CB-OD1 3.49Å; L74-D76 PolarHBondContact O-N 3.13Å; L74-G77 PolarHBondContact N-O 2.89Å; L74-G77 PolarHBondContact O-N 3.36Å; L74-K79 HydrophobicContact CD1-CG 4.02Å; L74-K79 HydrophobicContact CG-CG 4.35Å; L74-R196 HydrophobicContact CD2-CB 4.33Å |
| 75 | E | 83.8 | Confident | 93.8 | Very high | 205 Ų | 205 | 55.8 Ų | 55.8 | 96% | 0.958 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -29.5 | 175.1 | -64.2 | 173.1 | -175 | 0 | 0 | 112.9 | G77 | E75-G77 VanDerWaalsContact C-N 3.31Š|
| 76 | D | 85.6 | Confident | 93.7 | Very high | 109 Ų | 109 | 56.8 Ų | 56.8 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 6.1 | 177.9 | 70.1 | -25.9 | 0 | 0 | 0 | 113.7 | L74 K79 | L74-D76 WeakPolarHBondContact CB-OD1 3.49Å; L74-D76 PolarHBondContact O-N 3.13Å; D76-K79 VanDerWaalsContact CG-NZ 3.34Å; D76-K79 WeakPolarHBondContact OD1-CE 3.42Å; D76-K79 IonicContact OD1-NZ 2.68Å; D76-K79 WeakPolarHBondContact OD2-CE 3.27Å; D76-K79 IonicContact OD2-NZ 3.1Å; D76-K79 PolarHBondContact OD2-NZ 3.4Å |
| 77 | G | 89.4 | Confident | 93.5 | Very high | 22 Ų | 22 | 57.8 Ų | 57.8 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 114.8 | -172.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | L74 E75 K79 | L74-G77 PolarHBondContact N-O 2.89Å; L74-G77 PolarHBondContact O-N 3.36Å; E75-G77 VanDerWaalsContact C-N 3.31Å; G77-K79 PolarHBondContact O-N 3.25Å |
| 78 | P | 92.3 | Very high | 93.5 | Very high | 106 Ų | 106 | 54 Ų | 54 | 69% | 0.688 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 128.6 | -179.4 | 27.6 | -33.5 | 0 | 0 | 0 | 111.2 | ||
| 79 | K | 94.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 24% | 0.243 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140 | 173.9 | -59.4 | -58.1 | -177.3 | -171.6 | 0 | 110.3 | T71 F72 L74 D76 G77 Y81 | T71-K79 WeakPolarHBondContact CA-O 3.36Å; F72-K79 HydrophobicContact CD2-CB 4.34Å; F72-K79 HydrophobicContact CE2-CB 4.07Å; F72-K79 HydrophobicContact CE2-CG 4.33Å; F72-K79 HydrophobicContact CZ-CB 4.26Å; F72-K79 PolarHBondContact N-O 2.88Å; F72-K79 PolarHBondContact O-N 3.39Å; L74-K79 HydrophobicContact CD1-CG 4.02Å; L74-K79 HydrophobicContact CG-CG 4.35Å; D76-K79 VanDerWaalsContact CG-NZ 3.34Å; D76-K79 WeakPolarHBondContact OD1-CE 3.42Å; D76-K79 IonicContact OD1-NZ 2.68Å; D76-K79 WeakPolarHBondContact OD2-CE 3.27Å; D76-K79 IonicContact OD2-NZ 3.1Å; D76-K79 PolarHBondContact OD2-NZ 3.4Å; G77-K79 PolarHBondContact O-N 3.25Å; K79-Y81 HydrophobicContact CB-CD2 4.36Å; K79-Y81 HydrophobicContact CB-CE2 3.73Å; K79-Y81 HydrophobicContact CG-CE2 4.4Å |
| 80 | R | 94.9 | Very high | 93.3 | Very high | 188 Ų | 188 | 60.2 Ų | 60.2 | 71% | 0.709 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 120.1 | 175 | -177.7 | 172.9 | 65.2 | -165.2 | 0.6 | 109 | T69 | T69-R80 HydrophobicContact CG2-CG 3.89Å |
| 81 | Y | 95.5 | Very high | 93.3 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 9% | 0.094 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.6 | 177.6 | -65.4 | -80.8 | 0 | 0 | 0 | 108.6 | T69 I70 F72 K79 L207 R208 V211 | T69-Y81 CarbonylContact C-O 3.52Å; T69-Y81 VanDerWaalsContact CA-O 3.24Å; T69-Y81 WeakPolarHBondContact CA-O 3.12Å; I70-Y81 PolarHBondContact N-O 3.41Å; I70-Y81 PolarHBondContact O-N 3.08Å; F72-Y81 AromaticContact CE1-CD2 3.64Å; F72-Y81 HydrophobicContact CE1-CD2 3.64Å; F72-Y81 AromaticContact CE1-CE2 3.84Å; F72-Y81 HydrophobicContact CE1-CE2 3.84Å; F72-Y81 HydrophobicContact CE2-CE2 4.34Å; F72-Y81 AromaticContact CZ-CD2 3.75Å; F72-Y81 HydrophobicContact CZ-CD2 3.75Å; F72-Y81 AromaticContact CZ-CE2 3.43Å; F72-Y81 HydrophobicContact CZ-CE2 3.43Å; F72-Y81 VanDerWaalsContact CZ-CE2 3.43Å; K79-Y81 HydrophobicContact CB-CD2 4.36Å; K79-Y81 HydrophobicContact CB-CE2 3.73Å; K79-Y81 HydrophobicContact CG-CE2 4.4Å; Y81-L207 HydrophobicContact CD1-CB 3.92Å; Y81-L207 WeakPolarHBondContact CD1-O 3.41Å; Y81-L207 HydrophobicContact CD2-CB 4.23Å; Y81-L207 HydrophobicContact CD2-CD1 4.34Å; Y81-L207 HydrophobicContact CE1-CB 4.38Å; Y81-L207 HydrophobicContact CG-CB 3.85Å; Y81-L207 HydrophobicContact CG-CD1 4.47Å; Y81-R208 HydrophobicContact CE1-CG 4.3Å; Y81-V211 HydrophobicContact CD1-CG2 3.41Å; Y81-V211 VanDerWaalsContact CD1-CG2 3.41Å; Y81-V211 HydrophobicContact CE1-CG2 3.67Å |
| 82 | T | 95.3 | Very high | 93.4 | Very high | 59 Ų | 59 | 58.6 Ų | 58.6 | 36% | 0.362 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.6 | 176.5 | -63.2 | 0 | 0 | 0 | 0 | 108.3 | M67 L68 T69 | M67-T82 HydrophobicContact CE-CG2 3.38Å; L68-T82 CarbonylContact O-C 3.58Å; L68-T82 WeakPolarHBondContact O-CA 3.45Å; T69-T82 WeakPolarHBondContact CG2-OG1 3.5Å; T69-T82 WeakPolarHBondContact OG1-CG2 3.26Å; T69-T82 PolarHBondContact OG1-OG1 3.29Å |
| 83 | I | 95.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 62.1 Ų | 62.1 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 145.2 | 179.6 | 65.5 | 176.4 | 0 | 0 | 0 | 109.8 | L68 L87 Y91 Y206 L207 C210 | L68-I83 HydrophobicContact CB-CD1 4.47Å; L68-I83 HydrophobicContact CB-CG1 3.91Å; L68-I83 HydrophobicContact CD2-CD1 4.07Å; L68-I83 HydrophobicContact CD2-CG1 4.07Å; L68-I83 PolarHBondContact N-O 3.36Å; L68-I83 PolarHBondContact O-N 3.44Å; I83-L87 HydrophobicContact CB-CB 4.03Å; I83-L87 HydrophobicContact CB-CD1 4.34Å; I83-L87 HydrophobicContact CD1-CB 4.27Å; I83-L87 HydrophobicContact CG2-CD1 4.47Å; I83-Y91 HydrophobicContact CD1-CD2 4.49Å; I83-Y91 HydrophobicContact CD1-CG 4.11Å; I83-Y206 HydrophobicContact CD1-CE1 4.44Å; I83-L207 HydrophobicContact CG2-CD2 4.45Å; I83-C210 HydrophobicContact CG2-CB 3.55Å |
| 84 | G | 94.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 58 Ų | 58 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 173.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | A66 T86 L87 I88 | A66-G84 CarbonylContact O-C 3.51Å; G84-T86 VanDerWaalsContact C-N 3.27Å; G84-T86 PolarHBondContact O-N 3.45Å; G84-L87 PolarHBondContact O-N 2.95Å; G84-I88 PolarHBondContact O-N 2.89Å |
| 85 | R | 95.3 | Very high | 94.3 | Very high | 35 Ų | 35 | 56.8 Ų | 56.8 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -38.6 | -174.5 | 178.9 | 56.6 | 175.3 | 78.5 | 6.3 | 116.9 | T58 T59 E63 D64 A66 L87 I88 P89 | T58-R85 VanDerWaalsContact CG2-CZ 3.44Å; T58-R85 VanDerWaalsContact CG2-NH1 3.29Å; T59-R85 VanDerWaalsContact CA-NH2 3.33Å; T59-R85 PolarHBondContact OG1-NH2 3.45Å; E63-R85 WeakPolarHBondContact O-CD 3.37Å; E63-R85 PolarHBondContact O-NE 2.95Å; D64-R85 VanDerWaalsContact O-CB 3.26Å; D64-R85 WeakPolarHBondContact O-CB 3.46Å; D64-R85 WeakPolarHBondContact O-CG 3.05Å; A66-R85 PolarHBondContact O-N 3.22Å; R85-L87 PolarHBondContact O-N 3.43Å; R85-I88 PolarHBondContact O-N 3.18Å; R85-P89 WeakPolarHBondContact O-CD 3.28Å |
| 86 | T | 93.9 | Very high | 94.8 | Very high | 110 Ų | 110 | 47.7 Ų | 47.7 | 68% | 0.675 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -15.2 | -178.1 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | G84 | G84-T86 VanDerWaalsContact C-N 3.27Å; G84-T86 PolarHBondContact O-N 3.45Å |
| 87 | L | 95.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 47.6 Ų | 47.6 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -19 | -179.1 | -67.3 | 177.1 | 0 | 0 | 0 | 112.2 | I83 G84 R85 P89 R90 Y91 Y206 C210 | I83-L87 HydrophobicContact CB-CB 4.03Å; I83-L87 HydrophobicContact CB-CD1 4.34Å; I83-L87 HydrophobicContact CD1-CB 4.27Å; I83-L87 HydrophobicContact CG2-CD1 4.47Å; G84-L87 PolarHBondContact O-N 2.95Å; R85-L87 PolarHBondContact O-N 3.43Å; L87-P89 VanDerWaalsContact C-CD 3.46Å; L87-R90 PolarHBondContact O-N 2.92Å; L87-Y91 PolarHBondContact O-N 3.44Å; L87-Y206 WeakPolarHBondContact CA-OH 3.26Å; L87-Y206 VanDerWaalsContact CB-OH 3.27Å; L87-Y206 WeakPolarHBondContact CB-OH 3.34Å; L87-Y206 PolarHBondContact O-OH 3.5Å; L87-C210 HydrophobicContact CD1-CB 4.04Å |
| 88 | I | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.9 | -44.7 | 178.1 | -60.8 | 180 | 0 | 0 | 0 | 113.5 | T58 F62 A66 L68 G84 R85 R90 Y91 F92 | T58-I88 HydrophobicContact CG2-CB 3.86Å; T58-I88 HydrophobicContact CG2-CG2 3.6Å; F62-I88 HydrophobicContact CD1-CD1 3.82Å; F62-I88 HydrophobicContact CD1-CG2 4.41Å; F62-I88 HydrophobicContact CD2-CG2 4.18Å; F62-I88 HydrophobicContact CE1-CD1 4.23Å; F62-I88 HydrophobicContact CE1-CG2 4.29Å; F62-I88 HydrophobicContact CE2-CG2 4.07Å; F62-I88 HydrophobicContact CG-CD1 4.26Å; F62-I88 HydrophobicContact CG-CG2 4.36Å; F62-I88 HydrophobicContact CZ-CG2 4.13Å; A66-I88 HydrophobicContact CB-CD1 4.08Å; L68-I88 HydrophobicContact CB-CD1 4.11Å; L68-I88 HydrophobicContact CB-CG1 4.03Å; L68-I88 HydrophobicContact CD1-CG2 4.24Å; G84-I88 PolarHBondContact O-N 2.89Å; R85-I88 PolarHBondContact O-N 3.18Å; I88-R90 VanDerWaalsContact C-N 3.29Å; I88-R90 PolarHBondContact O-N 3.22Å; I88-Y91 WeakPolarHBondContact O-CB 3.47Å; I88-Y91 PolarHBondContact O-N 3.4Å; I88-Y91 VanDerWaalsContact O-N 3.1Å; I88-F92 HydrophobicContact CG2-CD2 3.85Å; I88-F92 HydrophobicContact CG2-CE2 3.58Å; I88-F92 WeakPolarHBondContact O-CD2 3.37Å; I88-F92 PolarHBondContact O-N 3.37Å |
| 89 | P | 97.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.6 | -43.1 | 179.3 | -21.8 | 29.8 | 0 | 0 | 0 | 112.3 | W54 D55 T58 R85 L87 F92 R93 | W54-P89 HydrophobicContact CB-CB 3.9Å; D55-P89 VanDerWaalsContact OD1-CG 3.24Å; D55-P89 WeakPolarHBondContact OD1-CG 3.41Å; T58-P89 HydrophobicContact CG2-CG 4.15Å; T58-P89 WeakPolarHBondContact OG1-CA 3.43Å; T58-P89 WeakPolarHBondContact OG1-CG 3.42Å; R85-P89 WeakPolarHBondContact O-CD 3.28Å; L87-P89 VanDerWaalsContact C-CD 3.46Å; P89-F92 PolarHBondContact O-N 2.95Å; P89-R93 WeakPolarHBondContact O-CB 3.44Å; P89-R93 PolarHBondContact O-N 3.36Å; P89-R93 VanDerWaalsContact O-N 3.08Å |
| 90 | R | 95.7 | Very high | 95.1 | Very high | 142 Ų | 142 | 41.6 Ų | 41.6 | 54% | 0.536 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.4 | -30.1 | 178.7 | -73.4 | -174.6 | -173.1 | 158.1 | 3.2 | 112.7 | L87 I88 S94 Y206 | L87-R90 PolarHBondContact O-N 2.92Å; I88-R90 VanDerWaalsContact C-N 3.29Å; I88-R90 PolarHBondContact O-N 3.22Å; R90-S94 WeakPolarHBondContact O-CB 3.29Å; R90-S94 PolarHBondContact O-N 2.82Å; R90-Y206 HydrophobicContact CB-CE1 4.35Å; R90-Y206 HydrophobicContact CB-CE2 3.64Å; R90-Y206 WeakPolarHBondContact CB-OH 3.34Å |
| 91 | Y | 97.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -53 | 172.3 | 166.3 | -102.6 | 0 | 0 | 0 | 111 | L68 I70 I83 L87 I88 R93 S94 I95 T203 Y206 L207 | L68-Y91 HydrophobicContact CD1-CD1 3.59Å; L68-Y91 HydrophobicContact CD1-CE1 3.75Å; L68-Y91 HydrophobicContact CD1-CG 4.39Å; L68-Y91 HydrophobicContact CD2-CD1 4.1Å; L68-Y91 HydrophobicContact CD2-CD2 4.43Å; L68-Y91 HydrophobicContact CD2-CE1 4.08Å; L68-Y91 HydrophobicContact CD2-CE2 4.42Å; L68-Y91 HydrophobicContact CD2-CG 4.28Å; I70-Y91 HydrophobicContact CD1-CE2 4.37Å; I70-Y91 WeakPolarHBondContact CD1-OH 3.49Å; I70-Y91 HydrophobicContact CG1-CE2 4Å; I83-Y91 HydrophobicContact CD1-CD2 4.49Å; I83-Y91 HydrophobicContact CD1-CG 4.11Å; L87-Y91 PolarHBondContact O-N 3.44Å; I88-Y91 WeakPolarHBondContact O-CB 3.47Å; I88-Y91 PolarHBondContact O-N 3.4Å; I88-Y91 VanDerWaalsContact O-N 3.1Å; Y91-R93 PolarHBondContact O-N 3.35Å; Y91-S94 WeakPolarHBondContact O-CB 3.31Å; Y91-S94 PolarHBondContact O-N 2.81Å; Y91-S94 PolarHBondContact O-OG 3.07Å; Y91-I95 HydrophobicContact CE1-CD1 4.13Å; Y91-T203 HydrophobicContact CD2-CG2 4.27Å; Y91-T203 HydrophobicContact CE2-CG2 3.94Å; Y91-Y206 VanDerWaalsContact CA-CE1 3.49Å; Y91-L207 HydrophobicContact CD2-CD2 4.07Å; Y91-L207 HydrophobicContact CE2-CD2 4.41Å |
| 92 | F | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 179.3 | -73.8 | -76 | 0 | 0 | 0 | 111.8 | W54 F57 F62 L68 I88 P89 S94 I95 F96 L103 Y105 | W54-F92 HydrophobicContact CE3-CB 3.72Å; W54-F92 HydrophobicContact CH2-CB 4.07Å; W54-F92 HydrophobicContact CZ3-CB 3.36Å; W54-F92 HydrophobicContact CZ3-CG 4.33Å; F57-F92 HydrophobicContact CD1-CD2 4.46Å; F57-F92 HydrophobicContact CE1-CD1 4.36Å; F57-F92 AromaticContact CE1-CD2 3.73Å; F57-F92 HydrophobicContact CE1-CD2 3.73Å; F57-F92 HydrophobicContact CE1-CE1 4.49Å; F57-F92 AromaticContact CE1-CE2 3.88Å; F57-F92 HydrophobicContact CE1-CE2 3.88Å; F57-F92 AromaticContact CE1-CG 3.99Å; F57-F92 HydrophobicContact CE1-CG 3.99Å; F57-F92 HydrophobicContact CE1-CZ 4.27Å; F62-F92 AromaticContact CE2-CE2 3.62Å; F62-F92 HydrophobicContact CE2-CE2 3.62Å; F62-F92 HydrophobicContact CE2-CZ 4.01Å; F62-F92 AromaticContact CZ-CE2 3.63Å; F62-F92 HydrophobicContact CZ-CE2 3.63Å; F62-F92 AromaticContact CZ-CZ 3.78Å; F62-F92 HydrophobicContact CZ-CZ 3.78Å; L68-F92 HydrophobicContact CD1-CE2 4.25Å; L68-F92 HydrophobicContact CD1-CZ 4.39Å; I88-F92 HydrophobicContact CG2-CD2 3.85Å; I88-F92 HydrophobicContact CG2-CE2 3.58Å; I88-F92 WeakPolarHBondContact O-CD2 3.37Å; I88-F92 PolarHBondContact O-N 3.37Å; P89-F92 PolarHBondContact O-N 2.95Å; F92-S94 VanDerWaalsContact C-N 3.27Å; F92-S94 PolarHBondContact O-N 2.83Å; F92-I95 HydrophobicContact CD1-CD1 4.33Å; F92-I95 WeakPolarHBondContact O-CB 3.42Å; F92-I95 PolarHBondContact O-N 3.47Å; F92-I95 VanDerWaalsContact O-N 3.11Å; F92-F96 WeakPolarHBondContact O-CD2 3.47Å; F92-L103 HydrophobicContact CD1-CD2 4.07Å; F92-Y105 HydrophobicContact CE1-CE2 4.32Å |
| 93 | R | 96.3 | Very high | 95.2 | Very high | 75 Ų | 75 | 36.2 Ų | 36.2 | 28% | 0.283 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.3 | -41.7 | 174 | -178.6 | 178.2 | 159.3 | 139.8 | 15.8 | 112.8 | N51 W54 P89 Y91 I95 F96 E97 | N51-R93 PolarHBondContact OD1-NH1 2.85Å; W54-R93 HydrophobicContact CD2-CB 4.08Å; W54-R93 HydrophobicContact CG-CB 4.15Å; W54-R93 HydrophobicContact CZ2-CB 4.36Å; P89-R93 WeakPolarHBondContact O-CB 3.44Å; P89-R93 PolarHBondContact O-N 3.36Å; P89-R93 VanDerWaalsContact O-N 3.08Å; Y91-R93 PolarHBondContact O-N 3.35Å; R93-I95 PolarHBondContact O-N 3.1Å; R93-I95 VanDerWaalsContact O-N 3.15Å; R93-F96 PolarHBondContact O-N 3.16Å; R93-F96 VanDerWaalsContact O-N 3.12Å; R93-E97 HydrophobicContact CG-CG 4.23Å; R93-E97 IonicContact CZ-OE1 2.72Å; R93-E97 IonicContact NE-OE1 2.78Å; R93-E97 PolarHBondContact NE-OE1 2.76Å; R93-E97 IonicContact NH2-OE1 3.25Å; R93-E97 PolarHBondContact NH2-OE1 3.21Å; R93-E97 PolarHBondContact O-N 2.82Å |
| 94 | S | 96 | Very high | 95.3 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -24.5 | -178.7 | 78.9 | 0 | 0 | 0 | 0 | 113.8 | R90 Y91 F92 G98 T203 | R90-S94 WeakPolarHBondContact O-CB 3.29Å; R90-S94 PolarHBondContact O-N 2.82Å; Y91-S94 WeakPolarHBondContact O-CB 3.31Å; Y91-S94 PolarHBondContact O-N 2.81Å; Y91-S94 PolarHBondContact O-OG 3.07Å; F92-S94 VanDerWaalsContact C-N 3.27Å; F92-S94 PolarHBondContact O-N 2.83Å; S94-G98 PolarHBondContact O-N 2.85Å; S94-T203 PolarHBondContact O-OG1 2.84Å; S94-T203 WeakPolarHBondContact OG-CA 3.29Å; S94-T203 PolarHBondContact OG-OG1 2.89Å |
| 95 | I | 96.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.3 | -45.7 | 177.5 | -60.3 | 164.2 | 0 | 0 | 0 | 109.4 | Y91 F92 R93 G98 A100 L103 M128 T130 T203 | Y91-I95 HydrophobicContact CE1-CD1 4.13Å; F92-I95 HydrophobicContact CD1-CD1 4.33Å; F92-I95 WeakPolarHBondContact O-CB 3.42Å; F92-I95 PolarHBondContact O-N 3.47Å; F92-I95 VanDerWaalsContact O-N 3.11Å; R93-I95 PolarHBondContact O-N 3.1Å; R93-I95 VanDerWaalsContact O-N 3.15Å; I95-G98 WeakPolarHBondContact O-CA 3.39Å; I95-G98 PolarHBondContact O-N 3.17Å; I95-G98 VanDerWaalsContact O-N 3.1Å; I95-A100 HydrophobicContact CG2-CB 4.04Å; I95-A100 WeakPolarHBondContact O-CB 3.49Å; I95-L103 HydrophobicContact CD1-CD2 3.81Å; I95-L103 HydrophobicContact CG2-CD2 4.41Å; I95-M128 HydrophobicContact CD1-CE 3.6Å; I95-M128 HydrophobicContact CG1-CE 4.15Å; I95-M128 HydrophobicContact CG2-CE 4.04Å; I95-T130 HydrophobicContact CG2-CG2 3.69Å; I95-T203 HydrophobicContact CG1-CG2 4.48Å |
| 96 | F | 95 | Very high | 95.6 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 6% | 0.057 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.2 | -39.2 | 176.9 | -67.9 | -93.8 | 0 | 0 | 0 | 111.8 | L42 W45 W54 F92 R93 G98 G99 A100 L103 | L42-F96 HydrophobicContact CD2-CE2 4.43Å; W45-F96 HydrophobicContact CB-CE1 4.22Å; W45-F96 HydrophobicContact CB-CZ 4.37Å; W45-F96 AromaticContact CD2-CD1 3.35Å; W45-F96 HydrophobicContact CD2-CD1 3.35Å; W45-F96 AromaticContact CD2-CE1 3.51Å; W45-F96 HydrophobicContact CD2-CE1 3.51Å; W45-F96 HydrophobicContact CD2-CG 4.05Å; W45-F96 HydrophobicContact CD2-CZ 4.34Å; W45-F96 AromaticContact CE2-CD1 3.53Å; W45-F96 AromaticContact CE2-CG 3.83Å; W45-F96 AromaticContact CE3-CD1 3.4Å; W45-F96 HydrophobicContact CE3-CD1 3.4Å; W45-F96 AromaticContact CE3-CE1 3.48Å; W45-F96 HydrophobicContact CE3-CE1 3.48Å; W45-F96 VanDerWaalsContact CE3-CE1 3.48Å; W45-F96 HydrophobicContact CE3-CG 4.46Å; W45-F96 HydrophobicContact CG-CD1 4.02Å; W45-F96 AromaticContact CG-CE1 3.85Å; W45-F96 HydrophobicContact CG-CE1 3.85Å; W45-F96 HydrophobicContact CG-CZ 4.23Å; W45-F96 HydrophobicContact CH2-CB 4.27Å; W45-F96 AromaticContact CH2-CD1 3.78Å; W45-F96 HydrophobicContact CH2-CD1 3.78Å; W45-F96 HydrophobicContact CH2-CG 4.44Å; W45-F96 HydrophobicContact CZ2-CB 3.77Å; W45-F96 AromaticContact CZ2-CD1 3.75Å; W45-F96 HydrophobicContact CZ2-CD1 3.75Å; W45-F96 HydrophobicContact CZ2-CG 4.05Å; W45-F96 AromaticContact CZ3-CD1 3.62Å; W45-F96 HydrophobicContact CZ3-CD1 3.62Å; W45-F96 HydrophobicContact CZ3-CE1 4.09Å; W54-F96 AromaticContact CH2-CD2 3.56Å; W54-F96 HydrophobicContact CH2-CD2 3.56Å; W54-F96 AromaticContact CH2-CE2 3.46Å; W54-F96 HydrophobicContact CH2-CE2 3.46Å; W54-F96 VanDerWaalsContact CH2-CE2 3.46Å; W54-F96 HydrophobicContact CH2-CZ 4.32Å; W54-F96 AromaticContact CZ2-CD2 3.72Å; W54-F96 HydrophobicContact CZ2-CD2 3.72Å; W54-F96 HydrophobicContact CZ2-CE2 4.06Å; W54-F96 HydrophobicContact CZ2-CG 4.34Å; F92-F96 WeakPolarHBondContact O-CD2 3.47Å; R93-F96 PolarHBondContact O-N 3.16Å; R93-F96 VanDerWaalsContact O-N 3.12Å; F96-G98 PolarHBondContact O-N 2.84Å; F96-G98 VanDerWaalsContact O-N 3.14Å; F96-G99 PolarHBondContact O-N 3.45Å; F96-A100 WeakPolarHBondContact CA-O 3.33Å; F96-A100 VanDerWaalsContact CD1-O 3.22Å; F96-A100 WeakPolarHBondContact CD1-O 3.38Å; F96-L103 HydrophobicContact CE2-CB 3.97Å; F96-L103 HydrophobicContact CE2-CD2 4.02Å; F96-L103 HydrophobicContact CZ-CB 3.66Å |
| 97 | E | 92.8 | Very high | 95.7 | Very high | 107 Ų | 107 | 35.8 Ų | 35.8 | 50% | 0.5 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.6 | 169.7 | -67.5 | -178.9 | 161.8 | 0 | 0 | 112.9 | R93 G99 S202 | R93-E97 HydrophobicContact CG-CG 4.23Å; R93-E97 IonicContact CZ-OE1 2.72Å; R93-E97 IonicContact NE-OE1 2.78Å; R93-E97 PolarHBondContact NE-OE1 2.76Å; R93-E97 IonicContact NH2-OE1 3.25Å; R93-E97 PolarHBondContact NH2-OE1 3.21Å; R93-E97 PolarHBondContact O-N 2.82Å; E97-G99 PolarHBondContact O-N 2.8Å; E97-S202 PolarHBondContact O-OG 3.47Å |
| 98 | G | 90.1 | Very high | 95.7 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 2.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S94 I95 F96 | S94-G98 PolarHBondContact O-N 2.85Å; I95-G98 WeakPolarHBondContact O-CA 3.39Å; I95-G98 PolarHBondContact O-N 3.17Å; I95-G98 VanDerWaalsContact O-N 3.1Å; F96-G98 PolarHBondContact O-N 2.84Å; F96-G98 VanDerWaalsContact O-N 3.14Å |
| 99 | G | 91.3 | Very high | 95.5 | Very high | 38 Ų | 38 | 48 Ų | 48 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 8.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F96 E97 H132 G133 | F96-G99 PolarHBondContact O-N 3.45Å; E97-G99 PolarHBondContact O-N 2.8Å; G99-H132 VanDerWaalsContact O-CA 3.31Å; G99-H132 WeakPolarHBondContact O-CA 3.42Å; G99-G133 PolarHBondContact O-N 3.24Å |
| 100 | A | 94.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 135.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I95 F96 T130 Q131 | I95-A100 HydrophobicContact CG2-CB 4.04Å; I95-A100 WeakPolarHBondContact O-CB 3.49Å; F96-A100 WeakPolarHBondContact CA-O 3.33Å; F96-A100 VanDerWaalsContact CD1-O 3.22Å; F96-A100 WeakPolarHBondContact CD1-O 3.38Å; A100-T130 HydrophobicContact CB-CG2 4.21Å; A100-Q131 CarbonylContact C-O 3.5Å; A100-Q131 VanDerWaalsContact CA-O 3.29Å; A100-Q131 WeakPolarHBondContact CA-O 3.36Å |
| 101 | T | 94.3 | Very high | 95.4 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 34% | 0.344 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -25.7 | 173.8 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | Q131 | T101-Q131 PolarHBondContact N-O 2.96Å; T101-Q131 PolarHBondContact OG1-O 3.29Å |
| 102 | E | 95.3 | Very high | 95.3 | Very high | 98 Ų | 98 | 52 Ų | 52 | 46% | 0.458 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 147 | 176.6 | -59.3 | -172.8 | 175.3 | 0 | 0 | 110.2 | T130 Q131 | E102-T130 VanDerWaalsContact O-CA 3.28Å; E102-T130 WeakPolarHBondContact O-CA 3.42Å; E102-Q131 HydrophobicContact CB-CB 4.1Å; E102-Q131 PolarHBondContact N-O 3.14Å; E102-Q131 PolarHBondContact O-N 3.31Å; E102-Q131 VanDerWaalsContact O-N 3.1Å; E102-Q131 PolarHBondContact OE2-OE1 3.48Å |
| 103 | L | 97.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 130.4 | 175 | 171.6 | 63.8 | 0 | 0 | 0 | 109.5 | L42 F92 I95 F96 Y105 M128 V129 T130 | L42-L103 HydrophobicContact CD1-CB 4.31Å; L42-L103 HydrophobicContact CD1-CD2 3.89Å; L42-L103 HydrophobicContact CD1-CG 3.87Å; F92-L103 HydrophobicContact CD1-CD2 4.07Å; I95-L103 HydrophobicContact CD1-CD2 3.81Å; I95-L103 HydrophobicContact CG2-CD2 4.41Å; F96-L103 HydrophobicContact CE2-CB 3.97Å; F96-L103 HydrophobicContact CE2-CD2 4.02Å; F96-L103 HydrophobicContact CZ-CB 3.66Å; L103-Y105 HydrophobicContact CD1-CE2 4.28Å; L103-Y105 HydrophobicContact CD2-CE2 4.37Å; L103-Y105 HydrophobicContact CG-CE2 4.29Å; L103-M128 HydrophobicContact CD1-CE 3.64Å; L103-M128 HydrophobicContact CD1-CG 3.78Å; L103-V129 WeakPolarHBondContact CA-O 3.38Å; L103-T130 HydrophobicContact CB-CG2 4.43Å; L103-T130 HydrophobicContact CD1-CG2 3.58Å |
| 104 | Y | 98.1 | Very high | 95 | Very high | 69 Ų | 69 | 56.2 Ų | 56.2 | 27% | 0.271 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 159.3 | 170.1 | 59.9 | -88.3 | 0 | 0 | 0 | 111.8 | N39 V106 V129 | N39-Y104 WeakPolarHBondContact OD1-CA 3.39Å; Y104-V106 HydrophobicContact CD2-CG2 3.72Å; Y104-V106 HydrophobicContact CE2-CG2 3.61Å; Y104-V129 HydrophobicContact CD1-CB 4.42Å; Y104-V129 HydrophobicContact CD2-CB 4.15Å; Y104-V129 HydrophobicContact CD2-CG2 4.43Å; Y104-V129 HydrophobicContact CE1-CB 3.95Å; Y104-V129 HydrophobicContact CE1-CG1 3.9Å; Y104-V129 HydrophobicContact CE2-CB 3.64Å; Y104-V129 HydrophobicContact CE2-CG1 4.15Å; Y104-V129 HydrophobicContact CE2-CG2 3.79Å; Y104-V129 PolarHBondContact N-O 3.31Å; Y104-V129 PolarHBondContact O-N 3.36Å; Y104-V129 WeakPolarHBondContact OH-CG1 3.22Å |
| 105 | Y | 98.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 60.2 Ų | 60.2 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.4 | 178.5 | -63.2 | -88.4 | 0 | 0 | 0 | 110.7 | L38 N39 L42 F92 L103 S127 M128 W161 | L38-Y105 HydrophobicContact CD2-CD2 4.08Å; L38-Y105 HydrophobicContact CD2-CE2 4.26Å; N39-Y105 PolarHBondContact ND2-O 3.39Å; N39-Y105 PolarHBondContact OD1-N 3.04Å; L42-Y105 HydrophobicContact CD1-CE2 4.46Å; F92-Y105 HydrophobicContact CE1-CE2 4.32Å; L103-Y105 HydrophobicContact CD1-CE2 4.28Å; L103-Y105 HydrophobicContact CD2-CE2 4.37Å; L103-Y105 HydrophobicContact CG-CE2 4.29Å; Y105-S127 CarbonylContact C-O 3.48Å; Y105-S127 WeakPolarHBondContact CA-O 3.33Å; Y105-M128 HydrophobicContact CD1-CB 3.84Å; Y105-M128 HydrophobicContact CD1-CG 4.21Å; Y105-M128 HydrophobicContact CE1-CB 3.59Å; Y105-M128 HydrophobicContact CE1-CG 3.59Å; Y105-M128 HydrophobicContact CE1-SD 4.13Å; Y105-W161 HydrophobicContact CD1-CH2 4.29Å; Y105-W161 HydrophobicContact CD1-CZ2 4.07Å; Y105-W161 HydrophobicContact CD2-CH2 4.01Å; Y105-W161 HydrophobicContact CD2-CZ2 4.47Å; Y105-W161 HydrophobicContact CE1-CH2 4.05Å; Y105-W161 AromaticContact CE1-CZ2 3.55Å; Y105-W161 HydrophobicContact CE1-CZ2 3.55Å; Y105-W161 AromaticContact CE2-CH2 3.76Å; Y105-W161 HydrophobicContact CE2-CH2 3.76Å; Y105-W161 HydrophobicContact CE2-CZ2 4.01Å; Y105-W161 HydrophobicContact CG-CH2 4.26Å; Y105-W161 AromaticContact CZ-CH2 3.78Å; Y105-W161 AromaticContact CZ-CZ2 3.51Å |
| 106 | V | 97.8 | Very high | 94.4 | Very high | 53 Ų | 53 | 64.8 Ų | 64.8 | 32% | 0.321 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | Y104 K108 S127 | Y104-V106 HydrophobicContact CD2-CG2 3.72Å; Y104-V106 HydrophobicContact CE2-CG2 3.61Å; V106-K108 HydrophobicContact CG1-CG 4.48Å; V106-S127 PolarHBondContact N-O 3.45Å; V106-S127 PolarHBondContact O-N 3.3Å |
| 107 | L | 96.3 | Very high | 94.3 | Very high | 33 Ų | 33 | 69.4 Ų | 69.4 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.4 | 179.4 | -54.3 | -178.7 | 0 | 0 | 0 | 109.1 | I35 P110 L121 C123 L146 | I35-L107 HydrophobicContact CB-CD1 4.14Å; I35-L107 HydrophobicContact CG1-CD1 3.86Å; I35-L107 HydrophobicContact CG2-CD1 3.89Å; I35-L107 HydrophobicContact CG2-CG 4.32Å; L107-P110 HydrophobicContact CB-CB 4.47Å; L107-P110 HydrophobicContact CB-CG 4.36Å; L107-L121 HydrophobicContact CD1-CD1 4.02Å; L107-L121 HydrophobicContact CD1-CD2 3.93Å; L107-C123 HydrophobicContact CB-CB 4.43Å; L107-C123 HydrophobicContact CD2-CB 4.08Å; L107-L146 HydrophobicContact CD2-CB 4.32Å; L107-L146 HydrophobicContact CD2-CD2 3.57Å |
| 108 | K | 95.5 | Very high | 94.4 | Very high | 115 Ų | 115 | 67 Ų | 67 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124 | 175.7 | -67 | -177.3 | 180 | 176.4 | 0 | 109.8 | V106 C123 Q125 | V106-K108 HydrophobicContact CG1-CG 4.48Å; K108-C123 PolarHBondContact N-SG 3.42Å; K108-C123 PolarHBondContact O-SG 3.02Å; K108-C123 VanDerWaalsContact O-SG 3.33Å; K108-Q125 HydrophobicContact CB-CB 3.9Å; K108-Q125 PolarHBondContact N-O 3.1Å |
| 109 | H | 93.3 | Very high | 94.7 | Very high | 162 Ų | 162 | 66.1 Ų | 66.1 | 75% | 0.75 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 50 | 52.7 | -179.7 | -51 | -62.3 | 0 | 0 | 0 | 113.6 | ||
| 110 | P | 94.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 64.8 Ų | 64.8 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 141.1 | 174.6 | 27.7 | -31.9 | 0 | 0 | 0 | 110.2 | D32 L107 L121 C123 | D32-P110 WeakPolarHBondContact OD1-CG 3.33Å; L107-P110 HydrophobicContact CB-CB 4.47Å; L107-P110 HydrophobicContact CB-CG 4.36Å; P110-L121 HydrophobicContact CB-CD1 4.07Å; P110-L121 HydrophobicContact CB-CD2 3.98Å; P110-L121 HydrophobicContact CB-CG 3.9Å; P110-C123 HydrophobicContact CB-CB 4.12Å |
| 111 | K | 95.1 | Very high | 95 | Very high | 157 Ų | 157 | 64.7 Ų | 64.7 | 68% | 0.683 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.7 | 175 | -63.3 | 179.1 | -177.1 | 176.3 | 0 | 108.7 | D122 | K111-D122 PolarHBondContact N-O 2.91Å; K111-D122 PolarHBondContact O-N 2.6Å |
| 112 | E | 94.2 | Very high | 95.2 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 22% | 0.22 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 139 | 173.7 | -61.9 | -173 | 161.9 | 0 | 0 | 110.3 | N29 T31 S120 | N29-E112 WeakPolarHBondContact CA-OE1 3.46Å; T31-E112 WeakPolarHBondContact CB-OE1 3.11Å; T31-E112 PolarHBondContact N-OE1 2.6Å; T31-E112 WeakPolarHBondContact OG1-CG 3.16Å; T31-E112 PolarHBondContact OG1-OE1 2.91Å; E112-S120 CarbonylContact C-O 3.58Å; E112-S120 WeakPolarHBondContact CA-O 3.25Å |
| 113 | A | 93.7 | Very high | 95.3 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 132.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S120 | A113-S120 WeakPolarHBondContact CB-OG 3.38Å; A113-S120 PolarHBondContact N-O 3.28Å; A113-S120 PolarHBondContact O-N 2.91Å; A113-S120 PolarHBondContact O-OG 3.2Å |
| 114 | F | 94 | Very high | 95.2 | Very high | 119 Ų | 119 | 62.7 Ų | 62.7 | 52% | 0.522 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124.5 | -178.1 | -65.6 | -92.1 | 0 | 0 | 0 | 109.8 | V119 F152 | F114-V119 HydrophobicContact CD1-CB 4.49Å; F114-V119 HydrophobicContact CD1-CG1 4.05Å; F114-V119 HydrophobicContact CD1-CG2 3.68Å; F114-V119 HydrophobicContact CE1-CG1 3.95Å; F114-V119 HydrophobicContact CE1-CG2 3.85Å; F114-V119 HydrophobicContact CZ-CG1 4.33Å; F114-F152 HydrophobicContact CD1-CE2 4.48Å |
| 115 | H | 92.3 | Very high | 95.2 | Very high | 86 Ų | 86 | 64.5 Ų | 64.5 | 40% | 0.398 | 33% | 0.328 | S | S | . | . | trans | -110.3 | 175.2 | 170.8 | -55.9 | 85.6 | 0 | 0 | 0 | 109.1 | N117 F118 S120 | H115-N117 VanDerWaalsContact C-N 3.28Å; H115-N117 PolarHBondContact O-N 2.97Å; H115-F118 WeakPolarHBondContact CA-O 3.4Å; H115-F118 HydrophobicContact CB-CD1 3.91Å; H115-F118 HydrophobicContact CB-CD2 4.37Å; H115-F118 HydrophobicContact CB-CE1 3.69Å; H115-F118 HydrophobicContact CB-CE2 4.19Å; H115-F118 HydrophobicContact CB-CG 4.24Å; H115-F118 HydrophobicContact CB-CZ 3.84Å; H115-F118 WeakPolarHBondContact CB-O 3.49Å; H115-F118 AromaticContact CD2-CZ 3.93Å; H115-F118 AromaticContact CE1-CE2 3.74Å; H115-F118 AromaticContact CE1-CZ 3.97Å; H115-F118 AromaticContact CG-CE1 3.89Å; H115-F118 AromaticContact CG-CE2 3.72Å; H115-F118 AromaticContact CG-CZ 3.49Å; H115-F118 VanDerWaalsContact CG-CZ 3.49Å; H115-F118 PolarHBondContact N-O 3.29Å; H115-F118 AromaticContact ND1-CD2 3.8Å; H115-F118 AromaticContact ND1-CE2 3.25Å; H115-F118 VanDerWaalsContact ND1-CE2 3.25Å; H115-F118 WeakPolarHBondContact ND1-CE2 3.32Å; H115-F118 AromaticContact ND1-CZ 3.53Å; H115-S120 PolarHBondContact CE1-OG 3.02Å | ||
| 116 | S | 89.3 | Confident | 95.1 | Very high | 105 Ų | 105 | 64.2 Ų | 64.2 | 73% | 0.734 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -61.9 | -34.5 | -175.7 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 117 | N | 92.1 | Very high | 95.1 | Very high | 109 Ų | 109 | 62.7 Ų | 62.7 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -122.2 | -8.3 | -171 | -57.9 | -1.9 | 0 | 0 | 0 | 113.4 | H115 F152 | H115-N117 VanDerWaalsContact C-N 3.28Å; H115-N117 PolarHBondContact O-N 2.97Å; N117-F152 PolarHBondContact O-N 3.17Å; N117-F152 VanDerWaalsContact O-N 3.17Å |
| 118 | F | 95 | Very high | 95.2 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 25% | 0.254 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 158.7 | -174.7 | 70.7 | -88.3 | 0 | 0 | 0 | 111.1 | H115 E149 F150 | H115-F118 WeakPolarHBondContact CA-O 3.4Å; H115-F118 HydrophobicContact CB-CD1 3.91Å; H115-F118 HydrophobicContact CB-CD2 4.37Å; H115-F118 HydrophobicContact CB-CE1 3.69Å; H115-F118 HydrophobicContact CB-CE2 4.19Å; H115-F118 HydrophobicContact CB-CG 4.24Å; H115-F118 HydrophobicContact CB-CZ 3.84Å; H115-F118 WeakPolarHBondContact CB-O 3.49Å; H115-F118 AromaticContact CD2-CZ 3.93Å; H115-F118 AromaticContact CE1-CE2 3.74Å; H115-F118 AromaticContact CE1-CZ 3.97Å; H115-F118 AromaticContact CG-CE1 3.89Å; H115-F118 AromaticContact CG-CE2 3.72Å; H115-F118 AromaticContact CG-CZ 3.49Å; H115-F118 VanDerWaalsContact CG-CZ 3.49Å; H115-F118 PolarHBondContact N-O 3.29Å; H115-F118 AromaticContact ND1-CD2 3.8Å; H115-F118 AromaticContact ND1-CE2 3.25Å; H115-F118 VanDerWaalsContact ND1-CE2 3.25Å; H115-F118 WeakPolarHBondContact ND1-CE2 3.32Å; H115-F118 AromaticContact ND1-CZ 3.53Å; F118-E149 HydrophobicContact CD2-CB 4.13Å; F118-E149 HydrophobicContact CD2-CG 4.08Å; F118-E149 HydrophobicContact CE2-CG 4.1Å; F118-F150 CarbonylContact C-O 3.53Å; F118-F150 WeakPolarHBondContact CA-O 3.26Å; F118-F150 WeakPolarHBondContact CB-O 3.49Å |
| 119 | V | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.9 | 172.6 | -171.6 | 0 | 0 | 0 | 0 | 107.8 | T31 F114 F150 F152 M156 | T31-V119 HydrophobicContact CG2-CB 4.03Å; T31-V119 HydrophobicContact CG2-CG1 3.61Å; F114-V119 HydrophobicContact CD1-CB 4.49Å; F114-V119 HydrophobicContact CD1-CG1 4.05Å; F114-V119 HydrophobicContact CD1-CG2 3.68Å; F114-V119 HydrophobicContact CE1-CG1 3.95Å; F114-V119 HydrophobicContact CE1-CG2 3.85Å; F114-V119 HydrophobicContact CZ-CG1 4.33Å; V119-F150 PolarHBondContact N-O 3.05Å; V119-F150 PolarHBondContact O-N 2.86Å; V119-F152 HydrophobicContact CG2-CB 4.33Å; V119-F152 HydrophobicContact CG2-CD2 3.53Å; V119-F152 HydrophobicContact CG2-CE2 4.24Å; V119-F152 HydrophobicContact CG2-CG 4.27Å; V119-M156 HydrophobicContact CB-CE 4.46Å; V119-M156 HydrophobicContact CG2-CE 4.24Å |
| 120 | S | 96.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.4 | 175 | 62.3 | 0 | 0 | 0 | 0 | 110.4 | E112 A113 H115 L148 | E112-S120 CarbonylContact C-O 3.58Å; E112-S120 WeakPolarHBondContact CA-O 3.25Å; A113-S120 WeakPolarHBondContact CB-OG 3.38Å; A113-S120 PolarHBondContact N-O 3.28Å; A113-S120 PolarHBondContact O-N 2.91Å; A113-S120 PolarHBondContact O-OG 3.2Å; H115-S120 PolarHBondContact CE1-OG 3.02Å; S120-L148 CarbonylContact C-O 3.55Å; S120-L148 VanDerWaalsContact CA-O 3.27Å; S120-L148 WeakPolarHBondContact CA-O 3.5Å |
| 121 | L | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 119.5 | 167.5 | -180 | 159 | 0 | 0 | 0 | 108 | T31 D32 L107 P110 C123 Y147 L148 F150 | T31-L121 VanDerWaalsContact OG1-CD1 3.26Å; T31-L121 WeakPolarHBondContact OG1-CD1 3.49Å; D32-L121 WeakPolarHBondContact OD1-CD1 3.2Å; L107-L121 HydrophobicContact CD1-CD1 4.02Å; L107-L121 HydrophobicContact CD1-CD2 3.93Å; P110-L121 HydrophobicContact CB-CD1 4.07Å; P110-L121 HydrophobicContact CB-CD2 3.98Å; P110-L121 HydrophobicContact CB-CG 3.9Å; L121-C123 HydrophobicContact CD2-CB 3.97Å; L121-Y147 CarbonylContact O-C 3.53Å; L121-Y147 WeakPolarHBondContact O-CA 3.43Å; L121-L148 HydrophobicContact CB-CB 4.3Å; L121-L148 HydrophobicContact CD2-CD1 4.33Å; L121-L148 PolarHBondContact N-O 2.83Å; L121-L148 PolarHBondContact O-N 2.82Å; L121-F150 HydrophobicContact CB-CE2 4.05Å |
| 122 | D | 97.4 | Very high | 95.3 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 109.6 | 176 | -172.4 | 12.2 | 0 | 0 | 0 | 110.3 | K111 R145 Y147 | K111-D122 PolarHBondContact N-O 2.91Å; K111-D122 PolarHBondContact O-N 2.6Å; D122-R145 IonicContact OD1-CZ 2.9Å; D122-R145 IonicContact OD1-NE 2.79Å; D122-R145 PolarHBondContact OD1-NE 2.95Å; D122-R145 IonicContact OD1-NH2 3.36Å; D122-R145 PolarHBondContact OD1-NH2 3.14Å; D122-R145 IonicContact OD2-CZ 3.59Å; D122-R145 IonicContact OD2-NE 3.27Å; D122-R145 IonicContact OD2-NH2 2.68Å; D122-R145 PolarHBondContact OD2-NH2 3.19Å; D122-Y147 HydrophobicContact CB-CD2 3.99Å |
| 123 | C | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 103.7 | 179.1 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | L107 K108 P110 L121 Q125 R145 L146 | L107-C123 HydrophobicContact CB-CB 4.43Å; L107-C123 HydrophobicContact CD2-CB 4.08Å; K108-C123 PolarHBondContact N-SG 3.42Å; K108-C123 PolarHBondContact O-SG 3.02Å; K108-C123 VanDerWaalsContact O-SG 3.33Å; P110-C123 HydrophobicContact CB-CB 4.12Å; L121-C123 HydrophobicContact CD2-CB 3.97Å; C123-Q125 VanDerWaalsContact C-N 3.31Å; C123-Q125 PolarHBondContact O-N 3.21Å; C123-R145 CarbonylContact O-C 3.57Å; C123-R145 VanDerWaalsContact O-CA 3.31Å; C123-R145 WeakPolarHBondContact O-CA 3.41Å; C123-L146 PolarHBondContact N-O 2.83Å; C123-L146 PolarHBondContact O-N 3.43Å |
| 124 | D | 96.8 | Very high | 93.9 | Very high | 77 Ų | 77 | 49 Ų | 49 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | -39.6 | 174.5 | -168.8 | 60.2 | 0 | 0 | 0 | 110.7 | G126 G144 R166 | D124-G126 PolarHBondContact O-N 3.49Å; D124-G144 CarbonylContact O-C 3.54Å; D124-R166 VanDerWaalsContact CG-NH1 3.34Å; D124-R166 PolarHBondContact O-NH2 3.15Å; D124-R166 IonicContact OD1-CZ 3.4Å; D124-R166 IonicContact OD1-NH1 3.03Å; D124-R166 PolarHBondContact OD1-NH1 2.83Å; D124-R166 IonicContact OD1-NH2 3.31Å; D124-R166 PolarHBondContact OD1-NH2 2.65Å; D124-R166 IonicContact OD2-CZ 3.34Å; D124-R166 IonicContact OD2-NH1 2.92Å; D124-R166 PolarHBondContact OD2-NH1 3.11Å; D124-R166 IonicContact OD2-NH2 2.81Å; D124-R166 PolarHBondContact OD2-NH2 3.14Å |
| 125 | Q | 96.5 | Very high | 92.6 | Very high | 107 Ų | 107 | 48.3 Ų | 48.3 | 50% | 0.5 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 55 | -179.9 | -64 | -175.5 | -7.6 | 0 | 0 | 112.1 | K108 C123 | K108-Q125 HydrophobicContact CB-CB 3.9Å; K108-Q125 PolarHBondContact N-O 3.1Å; C123-Q125 VanDerWaalsContact C-N 3.31Å; C123-Q125 PolarHBondContact O-N 3.21Å |
| 126 | G | 97.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 142.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D124 E143 G144 | D124-G126 PolarHBondContact O-N 3.49Å; G126-E143 WeakPolarHBondContact O-CA 3.42Å; G126-G144 CarbonylContact C-O 3.59Å; G126-G144 VanDerWaalsContact CA-O 3.29Å; G126-G144 WeakPolarHBondContact CA-O 3.27Å; G126-G144 PolarHBondContact N-O 3.16Å; G126-G144 PolarHBondContact O-N 2.92Å |
| 127 | S | 97.7 | Very high | 91.5 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 123.5 | 173.8 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | Y105 V106 V142 | Y105-S127 CarbonylContact C-O 3.48Å; Y105-S127 WeakPolarHBondContact CA-O 3.33Å; V106-S127 PolarHBondContact N-O 3.45Å; V106-S127 PolarHBondContact O-N 3.3Å; S127-V142 CarbonylContact C-O 3.45Å; S127-V142 VanDerWaalsContact CA-O 3.27Å; S127-V142 WeakPolarHBondContact CA-O 3.19Å |
| 128 | M | 98 | Very high | 91.5 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 119.7 | 167.3 | 173.1 | -172.6 | 170.4 | 0 | 0 | 107.5 | I95 L103 Y105 T130 V142 F163 | I95-M128 HydrophobicContact CD1-CE 3.6Å; I95-M128 HydrophobicContact CG1-CE 4.15Å; I95-M128 HydrophobicContact CG2-CE 4.04Å; L103-M128 HydrophobicContact CD1-CE 3.64Å; L103-M128 HydrophobicContact CD1-CG 3.78Å; Y105-M128 HydrophobicContact CD1-CB 3.84Å; Y105-M128 HydrophobicContact CD1-CG 4.21Å; Y105-M128 HydrophobicContact CE1-CB 3.59Å; Y105-M128 HydrophobicContact CE1-CG 3.59Å; Y105-M128 HydrophobicContact CE1-SD 4.13Å; M128-T130 HydrophobicContact CE-CG2 3.96Å; M128-V142 HydrophobicContact CB-CB 4.21Å; M128-V142 PolarHBondContact N-O 2.89Å; M128-V142 PolarHBondContact O-N 3.1Å; M128-F163 HydrophobicContact CB-CE1 3.94Å; M128-F163 HydrophobicContact CB-CZ 4.05Å; M128-F163 HydrophobicContact SD-CE1 4.36Å |
| 129 | V | 97.9 | Very high | 91.5 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.1 | -178.1 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | L103 Y104 Q139 V140 | L103-V129 WeakPolarHBondContact CA-O 3.38Å; Y104-V129 HydrophobicContact CD1-CB 4.42Å; Y104-V129 HydrophobicContact CD2-CB 4.15Å; Y104-V129 HydrophobicContact CD2-CG2 4.43Å; Y104-V129 HydrophobicContact CE1-CB 3.95Å; Y104-V129 HydrophobicContact CE1-CG1 3.9Å; Y104-V129 HydrophobicContact CE2-CB 3.64Å; Y104-V129 HydrophobicContact CE2-CG1 4.15Å; Y104-V129 HydrophobicContact CE2-CG2 3.79Å; Y104-V129 PolarHBondContact N-O 3.31Å; Y104-V129 PolarHBondContact O-N 3.36Å; Y104-V129 WeakPolarHBondContact OH-CG1 3.22Å; V129-Q139 HydrophobicContact CG1-CG 3.74Å; V129-V140 WeakPolarHBondContact CA-O 3.4Å |
| 130 | T | 96.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.8 | 172.5 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | I95 A100 E102 L103 M128 H132 Q139 V140 | I95-T130 HydrophobicContact CG2-CG2 3.69Å; A100-T130 HydrophobicContact CB-CG2 4.21Å; E102-T130 VanDerWaalsContact O-CA 3.28Å; E102-T130 WeakPolarHBondContact O-CA 3.42Å; L103-T130 HydrophobicContact CB-CG2 4.43Å; L103-T130 HydrophobicContact CD1-CG2 3.58Å; M128-T130 HydrophobicContact CE-CG2 3.96Å; T130-H132 PolarHBondContact OG1-NE2 2.75Å; T130-Q139 CarbonylContact O-C 3.51Å; T130-Q139 WeakPolarHBondContact O-CA 3.39Å; T130-V140 PolarHBondContact N-O 2.83Å; T130-V140 PolarHBondContact O-N 2.65Å |
| 131 | Q | 94.3 | Very high | 91.6 | Very high | 65 Ų | 65 | 40.8 Ų | 40.8 | 30% | 0.304 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.6 | 169.9 | -166.6 | 171.4 | 37.4 | 0 | 0 | 108.7 | A100 T101 E102 | A100-Q131 CarbonylContact C-O 3.5Å; A100-Q131 VanDerWaalsContact CA-O 3.29Å; A100-Q131 WeakPolarHBondContact CA-O 3.36Å; T101-Q131 PolarHBondContact N-O 2.96Å; T101-Q131 PolarHBondContact OG1-O 3.29Å; E102-Q131 HydrophobicContact CB-CB 4.1Å; E102-Q131 PolarHBondContact N-O 3.14Å; E102-Q131 PolarHBondContact O-N 3.31Å; E102-Q131 VanDerWaalsContact O-N 3.1Å; E102-Q131 PolarHBondContact OE2-OE1 3.48Å |
| 132 | H | 91.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 40.8 Ų | 40.8 | 9% | 0.088 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 146.5 | 176.4 | -68.8 | -106.1 | 0 | 0 | 0 | 110.3 | G99 T130 F137 T138 | G99-H132 VanDerWaalsContact O-CA 3.31Å; G99-H132 WeakPolarHBondContact O-CA 3.42Å; T130-H132 PolarHBondContact OG1-NE2 2.75Å; H132-F137 VanDerWaalsContact O-CA 3.25Å; H132-F137 WeakPolarHBondContact O-CA 3.39Å; H132-T138 WeakPolarHBondContact CB-O 3.36Å; H132-T138 PolarHBondContact N-O 3.42Å |
| 133 | G | 83.9 | Confident | 91.7 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | trans | -75.8 | -159.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G99 F137 | G99-G133 PolarHBondContact O-N 3.24Å; G133-F137 PolarHBondContact O-N 3.03Å; G133-F137 VanDerWaalsContact O-N 3.09Å | ||
| 134 | K | 74.8 | Confident | 91.7 | Very high | 179 Ų | 179 | 41.8 Ų | 41.8 | 78% | 0.778 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 146 | 174.5 | -72.5 | 175.9 | -178 | 175.6 | 0 | 111 | F137 | K134-F137 HydrophobicContact CB-CZ 4.42Å; K134-F137 HydrophobicContact CD-CZ 4.21Å; K134-F137 HydrophobicContact CG-CE1 3.89Å; K134-F137 HydrophobicContact CG-CE2 3.79Å; K134-F137 HydrophobicContact CG-CZ 3.27Å |
| 135 | P | 66.3 | Low | 91.7 | Very high | 104 Ų | 104 | 43.2 Ų | 43.2 | 68% | 0.675 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -91.8 | -16.7 | 7.7 | 32.6 | -31.3 | 0 | 0 | 0 | 114.6 | ||
| 136 | M | 72.1 | Confident | 91.8 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 20% | 0.197 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -18.7 | -164.9 | -68.4 | -52.3 | -51.2 | 0 | 0 | 115.4 | T138 I172 P173 I176 L190 | M136-T138 WeakPolarHBondContact CB-OG1 3.43Å; M136-T138 PolarHBondContact O-N 3.12Å; M136-T138 VanDerWaalsContact O-N 3.09Å; M136-I172 HydrophobicContact CE-CG2 3.93Å; M136-P173 WeakPolarHBondContact O-CD 3.35Å; M136-I176 HydrophobicContact CE-CB 4.45Å; M136-I176 HydrophobicContact CE-CG2 3.43Å; M136-I176 VanDerWaalsContact CE-CG2 3.43Å; M136-I176 HydrophobicContact SD-CG2 4.06Å; M136-L190 HydrophobicContact CE-CD1 3.84Å; M136-L190 HydrophobicContact CE-CD2 3.1Å; M136-L190 HydrophobicContact CE-CG 4.01Å; M136-L190 HydrophobicContact SD-CD2 3.43Å; M136-L190 WeakPolarHBondContact SD-CD2 3.4Å |
| 137 | F | 86 | Confident | 91.9 | Very high | 89 Ų | 89 | 40.9 Ų | 40.9 | 39% | 0.39 | 20% | 0.201 | S | C | . | . | trans | 51 | 32.8 | -178 | -60.9 | -79.4 | 0 | 0 | 0 | 113.5 | H132 G133 K134 P173 | H132-F137 VanDerWaalsContact O-CA 3.25Å; H132-F137 WeakPolarHBondContact O-CA 3.39Å; G133-F137 PolarHBondContact O-N 3.03Å; G133-F137 VanDerWaalsContact O-N 3.09Å; K134-F137 HydrophobicContact CB-CZ 4.42Å; K134-F137 HydrophobicContact CD-CZ 4.21Å; K134-F137 HydrophobicContact CG-CE1 3.89Å; K134-F137 HydrophobicContact CG-CE2 3.79Å; K134-F137 HydrophobicContact CG-CZ 3.27Å; F137-P173 HydrophobicContact CB-CG 3.98Å | ||
| 138 | T | 92.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 133.7 | -175.3 | -56 | 0 | 0 | 0 | 0 | 110.1 | H132 M136 V140 E170 L171 I172 I194 | H132-T138 WeakPolarHBondContact CB-O 3.36Å; H132-T138 PolarHBondContact N-O 3.42Å; M136-T138 WeakPolarHBondContact CB-OG1 3.43Å; M136-T138 PolarHBondContact O-N 3.12Å; M136-T138 VanDerWaalsContact O-N 3.09Å; T138-V140 HydrophobicContact CG2-CG2 4.35Å; T138-E170 HydrophobicContact CG2-CB 3.96Å; T138-L171 WeakPolarHBondContact CA-O 3.35Å; T138-I172 HydrophobicContact CG2-CG1 4.36Å; T138-I194 HydrophobicContact CG2-CD1 4.29Å |
| 139 | Q | 95.6 | Very high | 91.9 | Very high | 59 Ų | 59 | 41.8 Ų | 41.8 | 28% | 0.276 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 122.9 | 169.7 | -176.4 | -179.3 | -57.7 | 0 | 0 | 109.6 | V129 T130 C141 L171 | V129-Q139 HydrophobicContact CG1-CG 3.74Å; T130-Q139 CarbonylContact O-C 3.51Å; T130-Q139 WeakPolarHBondContact O-CA 3.39Å; Q139-C141 PolarHBondContact NE2-SG 2.89Å; Q139-L171 HydrophobicContact CB-CB 4.31Å; Q139-L171 PolarHBondContact N-O 3.1Å; Q139-L171 PolarHBondContact O-N 3.14Å |
| 140 | V | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.2 | 176.7 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | V129 T130 T138 V142 R169 E170 I194 T195 | V129-V140 WeakPolarHBondContact CA-O 3.4Å; T130-V140 PolarHBondContact N-O 2.83Å; T130-V140 PolarHBondContact O-N 2.65Å; T138-V140 HydrophobicContact CG2-CG2 4.35Å; V140-V142 HydrophobicContact CG1-CG2 4.07Å; V140-R169 CarbonylContact C-O 3.58Å; V140-R169 WeakPolarHBondContact CA-O 3.48Å; V140-E170 HydrophobicContact CG1-CG 4.37Å; V140-E170 HydrophobicContact CG2-CG 4.11Å; V140-I194 HydrophobicContact CG2-CD1 4.39Å; V140-T195 HydrophobicContact CG1-CG2 4.17Å; V140-T195 HydrophobicContact CG2-CG2 4.01Å |
| 141 | C | 97.5 | Very high | 91.8 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 12% | 0.122 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 110.7 | 177.6 | -59.6 | 0 | 0 | 0 | 0 | 108.7 | Q139 H168 R169 | Q139-C141 PolarHBondContact NE2-SG 2.89Å; C141-H168 CarbonylContact O-C 3.53Å; C141-H168 VanDerWaalsContact O-CA 3.24Å; C141-H168 WeakPolarHBondContact O-CA 3.24Å; C141-R169 PolarHBondContact N-O 2.73Å; C141-R169 PolarHBondContact O-N 3.5Å |
| 142 | V | 98.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.5 | 179.8 | -168.1 | 0 | 0 | 0 | 0 | 108.6 | S127 M128 V140 F163 I165 H168 G198 | S127-V142 CarbonylContact C-O 3.45Å; S127-V142 VanDerWaalsContact CA-O 3.27Å; S127-V142 WeakPolarHBondContact CA-O 3.19Å; M128-V142 HydrophobicContact CB-CB 4.21Å; M128-V142 PolarHBondContact N-O 2.89Å; M128-V142 PolarHBondContact O-N 3.1Å; V140-V142 HydrophobicContact CG1-CG2 4.07Å; V142-F163 HydrophobicContact CB-CE1 4.42Å; V142-F163 HydrophobicContact CG1-CE1 3.96Å; V142-F163 HydrophobicContact CG1-CZ 4.31Å; V142-I165 HydrophobicContact CG1-CB 4.22Å; V142-I165 HydrophobicContact CG1-CD1 3.9Å; V142-I165 HydrophobicContact CG1-CG1 3.77Å; V142-I165 HydrophobicContact CG1-CG2 3.5Å; V142-H168 HydrophobicContact CG1-CB 4.49Å; V142-H168 HydrophobicContact CG2-CB 4.39Å; V142-G198 WeakPolarHBondContact CG2-O 3.36Å |
| 143 | E | 97.7 | Very high | 91.6 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 27% | 0.271 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.7 | -177.5 | -64.1 | -179.2 | -174.1 | 0 | 0 | 110.5 | G126 R166 Q167 | G126-E143 WeakPolarHBondContact O-CA 3.42Å; E143-R166 PolarHBondContact O-N 2.93Å; E143-Q167 HydrophobicContact CB-CG 3.98Å; E143-Q167 PolarHBondContact N-O 2.86Å; E143-Q167 PolarHBondContact O-N 3.28Å; E143-Q167 PolarHBondContact OE2-NE2 3.1Å |
| 144 | G | 97.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | 172.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D124 G126 S164 | D124-G144 CarbonylContact O-C 3.54Å; G126-G144 CarbonylContact C-O 3.59Å; G126-G144 VanDerWaalsContact CA-O 3.29Å; G126-G144 WeakPolarHBondContact CA-O 3.27Å; G126-G144 PolarHBondContact N-O 3.16Å; G126-G144 PolarHBondContact O-N 2.92Å; G144-S164 CarbonylContact C-O 3.6Å; G144-S164 WeakPolarHBondContact CA-O 2.98Å |
| 145 | R | 98.1 | Very high | 92.5 | Very high | 107 Ų | 107 | 51.5 Ų | 51.5 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 120.9 | 171.2 | 178.4 | 173.8 | 178.7 | -159.7 | 0.8 | 108.8 | D122 C123 S164 | D122-R145 IonicContact OD1-CZ 2.9Å; D122-R145 IonicContact OD1-NE 2.79Å; D122-R145 PolarHBondContact OD1-NE 2.95Å; D122-R145 IonicContact OD1-NH2 3.36Å; D122-R145 PolarHBondContact OD1-NH2 3.14Å; D122-R145 IonicContact OD2-CZ 3.59Å; D122-R145 IonicContact OD2-NE 3.27Å; D122-R145 IonicContact OD2-NH2 2.68Å; D122-R145 PolarHBondContact OD2-NH2 3.19Å; C123-R145 CarbonylContact O-C 3.57Å; C123-R145 VanDerWaalsContact O-CA 3.31Å; C123-R145 WeakPolarHBondContact O-CA 3.41Å; R145-S164 PolarHBondContact N-O 3.02Å; R145-S164 PolarHBondContact O-N 3.08Å |
| 146 | L | 98.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.1 | 171.1 | -174.6 | 67.8 | 0 | 0 | 0 | 109.1 | L107 C123 L148 W161 F163 | L107-L146 HydrophobicContact CD2-CB 4.32Å; L107-L146 HydrophobicContact CD2-CD2 3.57Å; C123-L146 PolarHBondContact N-O 2.83Å; C123-L146 PolarHBondContact O-N 3.43Å; L146-L148 HydrophobicContact CD1-CD2 3.98Å; L146-L148 HydrophobicContact CD2-CD1 4.05Å; L146-L148 HydrophobicContact CD2-CD2 4.25Å; L146-L148 HydrophobicContact CD2-CG 4.17Å; L146-L148 HydrophobicContact CG-CD1 4.46Å; L146-L148 HydrophobicContact CG-CD2 4.03Å; L146-L148 HydrophobicContact CG-CG 4.04Å; L146-W161 HydrophobicContact CD1-CD2 4.31Å; L146-W161 HydrophobicContact CD1-CZ2 3.9Å; L146-W161 HydrophobicContact CD2-CZ2 4.4Å; L146-F163 HydrophobicContact CB-CD2 3.94Å; L146-F163 HydrophobicContact CB-CE2 4.4Å; L146-F163 HydrophobicContact CD1-CB 3.85Å; L146-F163 HydrophobicContact CD1-CD2 3.84Å; L146-F163 HydrophobicContact CD1-CG 4.18Å; L146-F163 HydrophobicContact CG-CD2 4.49Å |
| 147 | Y | 98.3 | Very high | 95 | Very high | 59 Ų | 59 | 46.7 Ų | 46.7 | 23% | 0.231 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.3 | 173.1 | 176.2 | -98 | 0 | 0 | 0 | 109.2 | L121 D122 E149 H162 | L121-Y147 CarbonylContact O-C 3.53Å; L121-Y147 WeakPolarHBondContact O-CA 3.43Å; D122-Y147 HydrophobicContact CB-CD2 3.99Å; Y147-E149 HydrophobicContact CE1-CG 3.55Å; Y147-E149 WeakPolarHBondContact CE1-OE1 3.4Å; Y147-E149 WeakPolarHBondContact OH-CG 3.12Å; Y147-E149 PolarHBondContact OH-OE1 2.98Å; Y147-H162 HydrophobicContact CD1-CB 4.47Å; Y147-H162 PolarHBondContact N-O 3.45Å; Y147-H162 PolarHBondContact O-N 3.45Å |
| 148 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.1 | -179.1 | -55.9 | 176.2 | 0 | 0 | 0 | 110.4 | I35 S120 L121 L146 F150 I158 T160 W161 | I35-L148 HydrophobicContact CD1-CD1 3.43Å; I35-L148 VanDerWaalsContact CD1-CD1 3.43Å; I35-L148 HydrophobicContact CG1-CD1 4.04Å; S120-L148 CarbonylContact C-O 3.55Å; S120-L148 VanDerWaalsContact CA-O 3.27Å; S120-L148 WeakPolarHBondContact CA-O 3.5Å; L121-L148 HydrophobicContact CB-CB 4.3Å; L121-L148 HydrophobicContact CD2-CD1 4.33Å; L121-L148 PolarHBondContact N-O 2.83Å; L121-L148 PolarHBondContact O-N 2.82Å; L146-L148 HydrophobicContact CD1-CD2 3.98Å; L146-L148 HydrophobicContact CD2-CD1 4.05Å; L146-L148 HydrophobicContact CD2-CD2 4.25Å; L146-L148 HydrophobicContact CD2-CG 4.17Å; L146-L148 HydrophobicContact CG-CD1 4.46Å; L146-L148 HydrophobicContact CG-CD2 4.03Å; L146-L148 HydrophobicContact CG-CG 4.04Å; L148-F150 HydrophobicContact CB-CD2 4.26Å; L148-F150 HydrophobicContact CB-CE2 3.64Å; L148-F150 HydrophobicContact CB-CZ 4.21Å; L148-F150 HydrophobicContact CD1-CE2 3.84Å; L148-F150 HydrophobicContact CD1-CZ 3.72Å; L148-F150 HydrophobicContact CG-CE2 4.42Å; L148-I158 HydrophobicContact CD2-CG2 4.42Å; L148-T160 CarbonylContact C-O 3.59Å; L148-T160 VanDerWaalsContact CA-O 3.27Å; L148-T160 WeakPolarHBondContact CA-O 3.07Å; L148-W161 HydrophobicContact CD2-CB 4.13Å; L148-W161 HydrophobicContact CD2-CD2 3.65Å; L148-W161 HydrophobicContact CD2-CE3 3.53Å; L148-W161 HydrophobicContact CD2-CG 3.95Å; L148-W161 HydrophobicContact CD2-CZ3 4.13Å |
| 149 | E | 97.8 | Very high | 95.8 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.5 | 166.6 | -62.8 | 172.7 | 163.8 | 0 | 0 | 108.6 | F118 Y147 I158 K159 T160 | F118-E149 HydrophobicContact CD2-CB 4.13Å; F118-E149 HydrophobicContact CD2-CG 4.08Å; F118-E149 HydrophobicContact CE2-CG 4.1Å; Y147-E149 HydrophobicContact CE1-CG 3.55Å; Y147-E149 WeakPolarHBondContact CE1-OE1 3.4Å; Y147-E149 WeakPolarHBondContact OH-CG 3.12Å; Y147-E149 PolarHBondContact OH-OE1 2.98Å; E149-I158 CarbonylContact O-C 3.4Å; E149-K159 PolarHBondContact O-N 3.42Å; E149-T160 PolarHBondContact N-O 2.77Å; E149-T160 PolarHBondContact O-N 3.31Å; E149-T160 VanDerWaalsContact OE2-CB 3.27Å; E149-T160 WeakPolarHBondContact OE2-CB 3.34Å; E149-T160 PolarHBondContact OE2-OG1 2.66Å |
| 150 | F | 97.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.5 | 175.8 | -64 | -91.7 | 0 | 0 | 0 | 109.6 | T31 R34 I35 F118 V119 L121 L148 F152 M156 R157 I158 | T31-F150 HydrophobicContact CG2-CD2 3.63Å; T31-F150 HydrophobicContact CG2-CE2 3.98Å; T31-F150 HydrophobicContact CG2-CG 4.15Å; R34-F150 HydrophobicContact CB-CE1 3.86Å; R34-F150 HydrophobicContact CB-CZ 4.39Å; R34-F150 HydrophobicContact CG-CE1 4.36Å; I35-F150 HydrophobicContact CD1-CZ 4.22Å; I35-F150 HydrophobicContact CG1-CZ 4.38Å; F118-F150 CarbonylContact C-O 3.53Å; F118-F150 WeakPolarHBondContact CA-O 3.26Å; F118-F150 WeakPolarHBondContact CB-O 3.49Å; V119-F150 PolarHBondContact N-O 3.05Å; V119-F150 PolarHBondContact O-N 2.86Å; L121-F150 HydrophobicContact CB-CE2 4.05Å; L148-F150 HydrophobicContact CB-CD2 4.26Å; L148-F150 HydrophobicContact CB-CE2 3.64Å; L148-F150 HydrophobicContact CB-CZ 4.21Å; L148-F150 HydrophobicContact CD1-CE2 3.84Å; L148-F150 HydrophobicContact CD1-CZ 3.72Å; L148-F150 HydrophobicContact CG-CE2 4.42Å; F150-F152 PolarHBondContact O-N 3.48Å; F150-M156 HydrophobicContact CB-CE 4.13Å; F150-M156 WeakPolarHBondContact CD1-O 3.47Å; F150-R157 VanDerWaalsContact CA-O 3.32Å; F150-R157 WeakPolarHBondContact CA-O 3.37Å; F150-I158 HydrophobicContact CD1-CG1 3.78Å; F150-I158 HydrophobicContact CE1-CD1 4.11Å; F150-I158 HydrophobicContact CE1-CG1 3.36Å; F150-I158 HydrophobicContact CZ-CD1 4.49Å; F150-I158 HydrophobicContact CZ-CG1 4.01Å |
| 151 | M | 95.6 | Very high | 96 | Very high | 50 Ų | 50 | 44.6 Ų | 44.6 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 135.5 | 168.5 | -72.3 | -59.6 | -64.1 | 0 | 0 | 109.8 | E63 D153 R157 K159 | E63-M151 HydrophobicContact CG-CB 4.47Å; E63-M151 HydrophobicContact CG-CG 3.59Å; M151-D153 PolarHBondContact O-N 2.91Å; M151-R157 PolarHBondContact N-O 2.95Å; M151-K159 HydrophobicContact CG-CB 4.35Å; M151-K159 HydrophobicContact SD-CD 3.76Å |
| 152 | F | 91.3 | Very high | 96.1 | Very high | 114 Ų | 114 | 46.5 Ų | 46.5 | 50% | 0.5 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -86.2 | 69.2 | 178.7 | -169.6 | -117.7 | 0 | 0 | 0 | 110.1 | F114 N117 V119 F150 M156 | F114-F152 HydrophobicContact CD1-CE2 4.48Å; N117-F152 PolarHBondContact O-N 3.17Å; N117-F152 VanDerWaalsContact O-N 3.17Å; V119-F152 HydrophobicContact CG2-CB 4.33Å; V119-F152 HydrophobicContact CG2-CD2 3.53Å; V119-F152 HydrophobicContact CG2-CE2 4.24Å; V119-F152 HydrophobicContact CG2-CG 4.27Å; F150-F152 PolarHBondContact O-N 3.48Å; F152-M156 HydrophobicContact CD2-SD 4.37Å |
| 153 | D | 90.2 | Very high | 96.1 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 32% | 0.316 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -132.6 | -177 | 176.4 | 66.2 | 19.2 | 0 | 0 | 0 | 110.9 | M151 M155 M156 | M151-D153 PolarHBondContact O-N 2.91Å; D153-M155 PolarHBondContact O-N 3.44Å; D153-M155 PolarHBondContact OD1-N 2.96Å; D153-M156 WeakPolarHBondContact O-CG 3.27Å; D153-M156 PolarHBondContact O-N 3.25Å; D153-M156 PolarHBondContact OD1-N 2.76Å |
| 154 | D | 87.9 | Confident | 96.1 | Very high | 175 Ų | 175 | 45.4 Ų | 45.4 | 94% | 0.936 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21.1 | -177.5 | -65.3 | -26.6 | 0 | 0 | 0 | 113.5 | ||
| 155 | M | 89.9 | Confident | 96.1 | Very high | 100 Ų | 100 | 46.1 Ų | 46.1 | 49% | 0.493 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -22 | -175.8 | -61.8 | -177.1 | -70.3 | 0 | 0 | 112.7 | R34 D153 R157 | R34-M155 PolarHBondContact NE-O 3.22Å; R34-M155 PolarHBondContact NH2-O 3.33Å; D153-M155 PolarHBondContact O-N 3.44Å; D153-M155 PolarHBondContact OD1-N 2.96Å; M155-R157 VanDerWaalsContact C-N 3.29Å; M155-R157 HydrophobicContact CB-CG 3.88Å; M155-R157 PolarHBondContact O-N 3.47Å |
| 156 | M | 93.5 | Very high | 96 | Very high | 18 Ų | 18 | 47.8 Ų | 47.8 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | trans | 46.3 | 52.9 | 180 | -72 | -73.4 | -72.2 | 0 | 0 | 111.5 | Q30 T31 R34 V119 F150 F152 D153 | Q30-M156 HydrophobicContact CB-CE 4.45Å; T31-M156 HydrophobicContact CG2-CE 3.61Å; R34-M156 HydrophobicContact CG-CB 4.01Å; R34-M156 PolarHBondContact NE-O 3.16Å; V119-M156 HydrophobicContact CB-CE 4.46Å; V119-M156 HydrophobicContact CG2-CE 4.24Å; F150-M156 HydrophobicContact CB-CE 4.13Å; F150-M156 WeakPolarHBondContact CD1-O 3.47Å; F152-M156 HydrophobicContact CD2-SD 4.37Å; D153-M156 WeakPolarHBondContact O-CG 3.27Å; D153-M156 PolarHBondContact O-N 3.25Å; D153-M156 PolarHBondContact OD1-N 2.76Å | ||
| 157 | R | 96.9 | Very high | 95.9 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | trans | -86.7 | 151.9 | 178.3 | -61.8 | -172.8 | -62.2 | 172.7 | 2.2 | 111.1 | T59 E63 F150 M151 M155 K159 | T59-R157 WeakPolarHBondContact O-CD 3.4Å; T59-R157 PolarHBondContact O-NH1 2.91Å; E63-R157 HydrophobicContact CG-CB 4.09Å; E63-R157 WeakPolarHBondContact OE1-CB 3.17Å; E63-R157 IonicContact OE1-CZ 3.22Å; E63-R157 IonicContact OE1-NE 2.84Å; E63-R157 PolarHBondContact OE1-NE 3.24Å; E63-R157 IonicContact OE1-NH2 3.96Å; E63-R157 PolarHBondContact OE1-NH2 3.45Å; E63-R157 IonicContact OE2-CZ 3.95Å; E63-R157 IonicContact OE2-NH2 3.9Å; E63-R157 PolarHBondContact OE2-NH2 3.26Å; F150-R157 VanDerWaalsContact CA-O 3.32Å; F150-R157 WeakPolarHBondContact CA-O 3.37Å; M151-R157 PolarHBondContact N-O 2.95Å; M155-R157 VanDerWaalsContact C-N 3.29Å; M155-R157 HydrophobicContact CB-CG 3.88Å; M155-R157 PolarHBondContact O-N 3.47Å; R157-K159 PolarHBondContact O-N 3.46Å | ||
| 158 | I | 98.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 119.4 | -178.1 | -58.2 | 168.2 | 0 | 0 | 0 | 108.7 | L38 F61 F62 E63 A66 L148 E149 F150 T160 W161 | L38-I158 HydrophobicContact CD1-CD1 4.09Å; F61-I158 WeakPolarHBondContact O-CB 3.34Å; F61-I158 WeakPolarHBondContact O-CG1 3.44Å; F61-I158 PolarHBondContact O-N 3.27Å; F62-I158 WeakPolarHBondContact CA-O 3.37Å; F62-I158 HydrophobicContact CD1-CB 3.9Å; F62-I158 HydrophobicContact CD1-CG2 4.01Å; F62-I158 HydrophobicContact CE1-CB 4.1Å; F62-I158 HydrophobicContact CE1-CD1 4.33Å; F62-I158 HydrophobicContact CE1-CG2 3.91Å; F62-I158 HydrophobicContact CG-CB 4.45Å; F62-I158 HydrophobicContact CZ-CD1 4.24Å; E63-I158 PolarHBondContact N-O 2.65Å; A66-I158 WeakPolarHBondContact CB-O 3.35Å; L148-I158 HydrophobicContact CD2-CG2 4.42Å; E149-I158 CarbonylContact O-C 3.4Å; F150-I158 HydrophobicContact CD1-CG1 3.78Å; F150-I158 HydrophobicContact CE1-CD1 4.11Å; F150-I158 HydrophobicContact CE1-CG1 3.36Å; F150-I158 HydrophobicContact CZ-CD1 4.49Å; F150-I158 HydrophobicContact CZ-CG1 4.01Å; I158-T160 WeakPolarHBondContact CG2-O 3.43Å; I158-W161 HydrophobicContact CD1-CE3 3.82Å; I158-W161 HydrophobicContact CD1-CZ3 3.89Å; I158-W161 HydrophobicContact CG2-CB 4.2Å; I158-W161 HydrophobicContact CG2-CE3 4.43Å |
| 159 | K | 97.9 | Very high | 95.6 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 30% | 0.3 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -44 | 171.4 | -178.3 | 167.2 | -171.9 | 144.1 | 0 | 111.8 | E63 D65 A66 M67 E149 M151 R157 | E63-K159 HydrophobicContact CG-CB 4.45Å; D65-K159 IonicContact OD1-NZ 2.86Å; D65-K159 WeakPolarHBondContact OD2-CE 3.42Å; D65-K159 IonicContact OD2-NZ 2.71Å; D65-K159 PolarHBondContact OD2-NZ 2.96Å; A66-K159 CarbonylContact C-O 3.59Å; A66-K159 WeakPolarHBondContact CA-O 3.43Å; M67-K159 PolarHBondContact N-O 2.93Å; E149-K159 PolarHBondContact O-N 3.42Å; M151-K159 HydrophobicContact CG-CB 4.35Å; M151-K159 HydrophobicContact SD-CD 3.76Å; R157-K159 PolarHBondContact O-N 3.46Å |
| 160 | T | 98.3 | Very high | 95.5 | Very high | 35 Ų | 35 | 58.2 Ų | 58.2 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.7 | -179.4 | -54.9 | 0 | 0 | 0 | 0 | 109 | L148 E149 I158 | L148-T160 CarbonylContact C-O 3.59Å; L148-T160 VanDerWaalsContact CA-O 3.27Å; L148-T160 WeakPolarHBondContact CA-O 3.07Å; E149-T160 PolarHBondContact N-O 2.77Å; E149-T160 PolarHBondContact O-N 3.31Å; E149-T160 VanDerWaalsContact OE2-CB 3.27Å; E149-T160 WeakPolarHBondContact OE2-CB 3.34Å; E149-T160 PolarHBondContact OE2-OG1 2.66Å; I158-T160 WeakPolarHBondContact CG2-O 3.43Å |
| 161 | W | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 114.5 | 169.9 | -179.9 | -64.7 | 0 | 0 | 0 | 109 | L38 F62 M67 L68 T69 Y105 L146 L148 I158 | L38-W161 HydrophobicContact CD1-CZ3 3.93Å; F62-W161 HydrophobicContact CE1-CB 4.15Å; F62-W161 HydrophobicContact CE1-CD2 4.49Å; F62-W161 AromaticContact CE1-CE3 3.96Å; F62-W161 HydrophobicContact CE1-CE3 3.96Å; F62-W161 HydrophobicContact CZ-CD2 4.45Å; F62-W161 AromaticContact CZ-CE3 3.74Å; F62-W161 HydrophobicContact CZ-CE3 3.74Å; F62-W161 HydrophobicContact CZ-CZ3 4.22Å; M67-W161 PolarHBondContact O-N 2.83Å; L68-W161 CarbonylContact C-O 3.46Å; L68-W161 WeakPolarHBondContact CA-O 3.44Å; L68-W161 HydrophobicContact CB-CB 4.31Å; L68-W161 HydrophobicContact CD1-CB 4.44Å; L68-W161 HydrophobicContact CD1-CG 4.11Å; L68-W161 HydrophobicContact CG-CB 4.11Å; L68-W161 HydrophobicContact CG-CG 3.99Å; T69-W161 PolarHBondContact N-O 3.41Å; Y105-W161 HydrophobicContact CD1-CH2 4.29Å; Y105-W161 HydrophobicContact CD1-CZ2 4.07Å; Y105-W161 HydrophobicContact CD2-CH2 4.01Å; Y105-W161 HydrophobicContact CD2-CZ2 4.47Å; Y105-W161 HydrophobicContact CE1-CH2 4.05Å; Y105-W161 AromaticContact CE1-CZ2 3.55Å; Y105-W161 HydrophobicContact CE1-CZ2 3.55Å; Y105-W161 AromaticContact CE2-CH2 3.76Å; Y105-W161 HydrophobicContact CE2-CH2 3.76Å; Y105-W161 HydrophobicContact CE2-CZ2 4.01Å; Y105-W161 HydrophobicContact CG-CH2 4.26Å; Y105-W161 AromaticContact CZ-CH2 3.78Å; Y105-W161 AromaticContact CZ-CZ2 3.51Å; L146-W161 HydrophobicContact CD1-CD2 4.31Å; L146-W161 HydrophobicContact CD1-CZ2 3.9Å; L146-W161 HydrophobicContact CD2-CZ2 4.4Å; L148-W161 HydrophobicContact CD2-CB 4.13Å; L148-W161 HydrophobicContact CD2-CD2 3.65Å; L148-W161 HydrophobicContact CD2-CE3 3.53Å; L148-W161 HydrophobicContact CD2-CG 3.95Å; L148-W161 HydrophobicContact CD2-CZ3 4.13Å; I158-W161 HydrophobicContact CD1-CE3 3.82Å; I158-W161 HydrophobicContact CD1-CZ3 3.89Å; I158-W161 HydrophobicContact CG2-CB 4.2Å; I158-W161 HydrophobicContact CG2-CE3 4.43Å |
| 162 | H | 98.6 | Very high | 95.2 | Very high | 59 Ų | 59 | 62.9 Ų | 62.9 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 109.7 | 175.8 | -172 | -179.2 | 0 | 0 | 0 | 110.8 | T69 T71 Y147 S164 | T69-H162 WeakPolarHBondContact O-CA 3.47Å; T71-H162 PolarHBondContact OG1-NE2 3.32Å; T71-H162 VanDerWaalsContact OG1-NE2 3.1Å; Y147-H162 HydrophobicContact CD1-CB 4.47Å; Y147-H162 PolarHBondContact N-O 3.45Å; Y147-H162 PolarHBondContact O-N 3.45Å; H162-S164 PolarHBondContact NE2-OG 3.49Å; H162-S164 VanDerWaalsContact NE2-OG 3.16Å |
| 163 | F | 98.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.3 | 174.5 | -168.3 | -133.1 | 0 | 0 | 0 | 111.1 | T69 I70 T71 M128 V142 L146 I165 | T69-F163 PolarHBondContact O-N 2.88Å; I70-F163 WeakPolarHBondContact CA-O 3.47Å; I70-F163 HydrophobicContact CD1-CB 3.84Å; T71-F163 PolarHBondContact N-O 2.88Å; M128-F163 HydrophobicContact CB-CE1 3.94Å; M128-F163 HydrophobicContact CB-CZ 4.05Å; M128-F163 HydrophobicContact SD-CE1 4.36Å; V142-F163 HydrophobicContact CB-CE1 4.42Å; V142-F163 HydrophobicContact CG1-CE1 3.96Å; V142-F163 HydrophobicContact CG1-CZ 4.31Å; L146-F163 HydrophobicContact CB-CD2 3.94Å; L146-F163 HydrophobicContact CB-CE2 4.4Å; L146-F163 HydrophobicContact CD1-CB 3.85Å; L146-F163 HydrophobicContact CD1-CD2 3.84Å; L146-F163 HydrophobicContact CD1-CG 4.18Å; L146-F163 HydrophobicContact CG-CD2 4.49Å; F163-I165 HydrophobicContact CD1-CD1 4.32Å; F163-I165 HydrophobicContact CD1-CG1 3.75Å; F163-I165 HydrophobicContact CE1-CD1 4.29Å; F163-I165 HydrophobicContact CE1-CG1 3.63Å; F163-I165 HydrophobicContact CZ-CG1 4.38Å |
| 164 | S | 97.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 67.6 Ų | 67.6 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 99.6 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 110 | T71 G144 R145 H162 | T71-S164 CarbonylContact O-C 3.56Å; G144-S164 CarbonylContact C-O 3.6Å; G144-S164 WeakPolarHBondContact CA-O 2.98Å; R145-S164 PolarHBondContact N-O 3.02Å; R145-S164 PolarHBondContact O-N 3.08Å; H162-S164 PolarHBondContact NE2-OG 3.49Å; H162-S164 VanDerWaalsContact NE2-OG 3.16Å |
| 165 | I | 97.7 | Very high | 95.4 | Very high | 17 Ų | 17 | 63.2 Ų | 63.2 | 9% | 0.087 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 130.7 | -176.9 | -59.1 | 170.3 | 0 | 0 | 0 | 109.4 | I70 T71 F72 V142 F163 L199 | I70-I165 HydrophobicContact CG2-CD1 3.98Å; T71-I165 PolarHBondContact O-N 3.05Å; F72-I165 HydrophobicContact CB-CB 3.99Å; F72-I165 HydrophobicContact CB-CD1 4.2Å; F72-I165 HydrophobicContact CD1-CD1 4.37Å; V142-I165 HydrophobicContact CG1-CB 4.22Å; V142-I165 HydrophobicContact CG1-CD1 3.9Å; V142-I165 HydrophobicContact CG1-CG1 3.77Å; V142-I165 HydrophobicContact CG1-CG2 3.5Å; F163-I165 HydrophobicContact CD1-CD1 4.32Å; F163-I165 HydrophobicContact CD1-CG1 3.75Å; F163-I165 HydrophobicContact CE1-CD1 4.29Å; F163-I165 HydrophobicContact CE1-CG1 3.63Å; F163-I165 HydrophobicContact CZ-CG1 4.38Å; I165-L199 HydrophobicContact CD1-CD1 4.07Å; I165-L199 HydrophobicContact CD1-CD2 4.27Å; I165-L199 HydrophobicContact CD1-CG 4.07Å |
| 166 | R | 95.8 | Very high | 95.3 | Very high | 142 Ų | 142 | 59.4 Ų | 59.4 | 54% | 0.536 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -47 | 177 | -67.4 | -169.3 | -80.4 | -167.2 | 2.3 | 111.7 | D124 E143 | D124-R166 VanDerWaalsContact CG-NH1 3.34Å; D124-R166 PolarHBondContact O-NH2 3.15Å; D124-R166 IonicContact OD1-CZ 3.4Å; D124-R166 IonicContact OD1-NH1 3.03Å; D124-R166 PolarHBondContact OD1-NH1 2.83Å; D124-R166 IonicContact OD1-NH2 3.31Å; D124-R166 PolarHBondContact OD1-NH2 2.65Å; D124-R166 IonicContact OD2-CZ 3.34Å; D124-R166 IonicContact OD2-NH1 2.92Å; D124-R166 PolarHBondContact OD2-NH1 3.11Å; D124-R166 IonicContact OD2-NH2 2.81Å; D124-R166 PolarHBondContact OD2-NH2 3.14Å; E143-R166 PolarHBondContact O-N 2.93Å |
| 167 | Q | 94.9 | Very high | 95.1 | Very high | 94 Ų | 94 | 63.1 Ų | 63.1 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 164 | -179.5 | 64 | -175.3 | 6.8 | 0 | 0 | 110.6 | E143 | E143-Q167 HydrophobicContact CB-CG 3.98Å; E143-Q167 PolarHBondContact N-O 2.86Å; E143-Q167 PolarHBondContact O-N 3.28Å; E143-Q167 PolarHBondContact OE2-NE2 3.1Å |
| 168 | H | 96.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 65.3 Ų | 65.3 | 22% | 0.218 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 155.6 | 172.4 | 72.7 | -72.8 | 0 | 0 | 0 | 110.7 | C141 V142 E170 N193 T195 C197 G198 | C141-H168 CarbonylContact O-C 3.53Å; C141-H168 VanDerWaalsContact O-CA 3.24Å; C141-H168 WeakPolarHBondContact O-CA 3.24Å; V142-H168 HydrophobicContact CG1-CB 4.49Å; V142-H168 HydrophobicContact CG2-CB 4.39Å; H168-E170 IonicContact CD2-OE1 3.53Å; H168-E170 IonicContact NE2-OE1 3.48Å; H168-N193 PolarHBondContact NE2-ND2 3.48Å; H168-T195 PolarHBondContact CD2-OG1 3.2Å; H168-C197 WeakPolarHBondContact ND1-CA 3.36Å; H168-G198 PolarHBondContact CD2-N 3.19Å; H168-G198 PolarHBondContact ND1-N 3.47Å |
| 169 | R | 95.6 | Very high | 94.3 | Very high | 143 Ų | 143 | 71.3 Ų | 71.3 | 54% | 0.54 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.9 | 176.4 | -64.1 | 179.8 | 178.9 | 178.5 | 0.4 | 109.3 | V140 C141 | V140-R169 CarbonylContact C-O 3.58Å; V140-R169 WeakPolarHBondContact CA-O 3.48Å; C141-R169 PolarHBondContact N-O 2.73Å; C141-R169 PolarHBondContact O-N 3.5Å |
| 170 | E | 95.4 | Very high | 93.7 | Very high | 36 Ų | 36 | 70.2 Ų | 70.2 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.7 | 174.7 | -56 | -169.2 | -173.8 | 0 | 0 | 108.5 | T138 V140 H168 N193 I194 T195 | T138-E170 HydrophobicContact CG2-CB 3.96Å; V140-E170 HydrophobicContact CG1-CG 4.37Å; V140-E170 HydrophobicContact CG2-CG 4.11Å; H168-E170 IonicContact CD2-OE1 3.53Å; H168-E170 IonicContact NE2-OE1 3.48Å; E170-N193 WeakPolarHBondContact OE1-CB 3.25Å; E170-N193 WeakPolarHBondContact OE2-CA 3.4Å; E170-I194 PolarHBondContact OE1-N 2.88Å; E170-I194 WeakPolarHBondContact OE2-CG1 3.47Å; E170-I194 PolarHBondContact OE2-N 2.97Å; E170-T195 WeakPolarHBondContact OE1-CB 3.36Å; E170-T195 PolarHBondContact OE1-N 3.27Å; E170-T195 PolarHBondContact OE1-OG1 3.42Å |
| 171 | L | 94.1 | Very high | 93.2 | Very high | 88 Ų | 88 | 71.5 Ų | 71.5 | 46% | 0.461 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117.6 | -176.2 | -55 | 176.8 | 0 | 0 | 0 | 108.7 | T138 Q139 | T138-L171 WeakPolarHBondContact CA-O 3.35Å; Q139-L171 HydrophobicContact CB-CB 4.31Å; Q139-L171 PolarHBondContact N-O 3.1Å; Q139-L171 PolarHBondContact O-N 3.14Å |
| 172 | I | 92.3 | Very high | 92.7 | Very high | 61 Ų | 61 | 80.8 Ų | 80.8 | 31% | 0.313 | 40% | 0.403 | S | S | . | . | trans | -99.5 | 133.9 | 177.9 | -58.3 | 176 | 0 | 0 | 0 | 108.9 | M136 T138 R174 I176 L190 | M136-I172 HydrophobicContact CE-CG2 3.93Å; T138-I172 HydrophobicContact CG2-CG1 4.36Å; I172-R174 PolarHBondContact O-N 3.12Å; I172-I176 HydrophobicContact CG2-CB 4.3Å; I172-L190 HydrophobicContact CD1-CB 4.13Å; I172-L190 VanDerWaalsContact CD1-O 3.23Å; I172-L190 WeakPolarHBondContact CD1-O 3.12Å | ||
| 173 | P | 91.7 | Very high | 92.3 | Very high | 43 Ų | 43 | 80.7 Ų | 80.7 | 28% | 0.279 | 40% | 0.404 | S | S | . | . | trans | -58.9 | 136.5 | 175.1 | -23.9 | 33.9 | 0 | 0 | 0 | 112.2 | M136 F137 S175 I176 L177 | M136-P173 WeakPolarHBondContact O-CD 3.35Å; F137-P173 HydrophobicContact CB-CG 3.98Å; P173-S175 PolarHBondContact O-N 3.22Å; P173-S175 VanDerWaalsContact O-N 3.16Å; P173-I176 HydrophobicContact CB-CG1 4.27Å; P173-I176 HydrophobicContact CG-CG1 4.47Å; P173-I176 PolarHBondContact O-N 3.45Å; P173-I176 VanDerWaalsContact O-N 3.1Å; P173-L177 PolarHBondContact O-N 2.91Å | ||
| 174 | R | 91.5 | Very high | 91.9 | Very high | 230 Ų | 230 | 85.4 Ų | 85.4 | 87% | 0.868 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.3 | -28.3 | 178.2 | -70.5 | -175.5 | 179.7 | 146.6 | -0.3 | 113.3 | I172 L177 A178 | I172-R174 PolarHBondContact O-N 3.12Å; R174-L177 PolarHBondContact O-N 2.93Å; R174-A178 WeakPolarHBondContact O-CB 3.49Å; R174-A178 PolarHBondContact O-N 3.34Å |
| 175 | S | 89.9 | Confident | 91.5 | Very high | 83 Ų | 83 | 91 Ų | 91 | 58% | 0.58 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 176.2 | 49.1 | 0 | 0 | 0 | 0 | 112.5 | P173 A178 M179 | P173-S175 PolarHBondContact O-N 3.22Å; P173-S175 VanDerWaalsContact O-N 3.16Å; S175-A178 PolarHBondContact O-N 3.24Å; S175-M179 WeakPolarHBondContact O-CB 3.36Å; S175-M179 PolarHBondContact O-N 2.96Å |
| 176 | I | 88.6 | Confident | 91 | Very high | 20 Ų | 20 | 93.2 Ų | 93.2 | 10% | 0.103 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -69.3 | -41.1 | 178.2 | -57.5 | -63.5 | 0 | 0 | 0 | 110.4 | M136 I172 P173 A178 M179 H180 L190 | M136-I176 HydrophobicContact CE-CB 4.45Å; M136-I176 HydrophobicContact CE-CG2 3.43Å; M136-I176 VanDerWaalsContact CE-CG2 3.43Å; M136-I176 HydrophobicContact SD-CG2 4.06Å; I172-I176 HydrophobicContact CG2-CB 4.3Å; P173-I176 HydrophobicContact CB-CG1 4.27Å; P173-I176 HydrophobicContact CG-CG1 4.47Å; P173-I176 PolarHBondContact O-N 3.45Å; P173-I176 VanDerWaalsContact O-N 3.1Å; I176-A178 VanDerWaalsContact C-N 3.34Å; I176-A178 PolarHBondContact O-N 3.43Å; I176-M179 PolarHBondContact O-N 3.05Å; I176-H180 PolarHBondContact O-CD2 2.91Å; I176-H180 PolarHBondContact O-N 3.46Å; I176-H180 VanDerWaalsContact O-N 3.11Å; I176-L190 HydrophobicContact CG2-CD1 4.15Å |
| 177 | L | 88.2 | Confident | 90.7 | Very high | 95 Ų | 95 | 89.9 Ų | 89.9 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 175.5 | -171.6 | 142.8 | 0 | 0 | 0 | 111.8 | P173 R174 A181 L187 | P173-L177 PolarHBondContact O-N 2.91Å; R174-L177 PolarHBondContact O-N 2.93Å; L177-A181 WeakPolarHBondContact O-CA 3.4Å; L177-A181 WeakPolarHBondContact O-CB 3.27Å; L177-A181 PolarHBondContact O-N 3.01Å; L177-L187 HydrophobicContact CD1-CD1 4.47Å; L177-L187 HydrophobicContact CG-CD1 4.39Å |
| 178 | A | 89.3 | Confident | 90.4 | Very high | 71 Ų | 71 | 89.4 Ų | 89.4 | 59% | 0.587 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.9 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R174 S175 I176 H180 A181 | R174-A178 WeakPolarHBondContact O-CB 3.49Å; R174-A178 PolarHBondContact O-N 3.34Å; S175-A178 PolarHBondContact O-N 3.24Å; I176-A178 VanDerWaalsContact C-N 3.34Å; I176-A178 PolarHBondContact O-N 3.43Å; A178-H180 VanDerWaalsContact C-N 3.34Å; A178-H180 PolarHBondContact O-N 3.25Å; A178-A181 WeakPolarHBondContact O-CB 3.3Å; A178-A181 PolarHBondContact O-N 3.2Å |
| 179 | M | 88.2 | Confident | 90 | Very high | 130 Ų | 130 | 92.6 Ų | 92.6 | 64% | 0.64 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.8 | -37.2 | 179.1 | -167.3 | 177.7 | 79.3 | 0 | 0 | 112.4 | S175 I176 | S175-M179 WeakPolarHBondContact O-CB 3.36Å; S175-M179 PolarHBondContact O-N 2.96Å; I176-M179 PolarHBondContact O-N 3.05Å |
| 180 | H | 86.8 | Confident | 89.6 | Confident | 46 Ų | 46 | 87 Ų | 87 | 21% | 0.213 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 11.5 | -179.6 | -64.3 | -69.8 | 0 | 0 | 0 | 114 | I176 A178 Q182 D183 M186 | I176-H180 PolarHBondContact O-CD2 2.91Å; I176-H180 PolarHBondContact O-N 3.46Å; I176-H180 VanDerWaalsContact O-N 3.11Å; A178-H180 VanDerWaalsContact C-N 3.34Å; A178-H180 PolarHBondContact O-N 3.25Å; H180-Q182 PolarHBondContact O-N 2.9Å; H180-D183 PolarHBondContact O-N 2.79Å; H180-M186 HydrophobicContact CB-CB 4.07Å |
| 181 | A | 87.1 | Confident | 89.2 | Confident | 61 Ų | 61 | 89.4 Ų | 89.4 | 50% | 0.504 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L177 A178 | L177-A181 WeakPolarHBondContact O-CA 3.4Å; L177-A181 WeakPolarHBondContact O-CB 3.27Å; L177-A181 PolarHBondContact O-N 3.01Å; A178-A181 WeakPolarHBondContact O-CB 3.3Å; A178-A181 PolarHBondContact O-N 3.2Å |
| 182 | Q | 88.6 | Confident | 89.1 | Confident | 195 Ų | 195 | 90.9 Ų | 90.9 | 91% | 0.911 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -2.2 | 178.3 | -61.7 | -167.7 | 0.8 | 0 | 0 | 113.6 | H180 P184 | H180-Q182 PolarHBondContact O-N 2.9Å; Q182-P184 WeakPolarHBondContact O-CD 3.41Å |
| 183 | D | 90.4 | Very high | 89 | Confident | 57 Ų | 57 | 93 Ų | 93 | 31% | 0.305 | 49% | 0.492 | S | S | . | . | trans | -112.4 | 95.8 | 179.3 | -173.9 | -17.4 | 0 | 0 | 0 | 110 | H180 Q185 M186 L187 | H180-D183 PolarHBondContact O-N 2.79Å; D183-Q185 PolarHBondContact O-N 2.68Å; D183-Q185 WeakPolarHBondContact OD1-CB 3.38Å; D183-Q185 PolarHBondContact OD1-N 3.01Å; D183-M186 HydrophobicContact CB-CB 4.06Å; D183-M186 HydrophobicContact CB-CG 4.24Å; D183-M186 PolarHBondContact O-N 3.46Å; D183-M186 PolarHBondContact OD1-N 3.47Å; D183-M186 VanDerWaalsContact OD1-N 3.14Å; D183-M186 WeakPolarHBondContact OD2-CG 3.37Å; D183-L187 PolarHBondContact O-N 3.18Å | ||
| 184 | P | 89.2 | Confident | 88.9 | Confident | 102 Ų | 102 | 94.6 Ų | 94.6 | 66% | 0.662 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.3 | -29.4 | 179.4 | -24.3 | 34.4 | 0 | 0 | 0 | 113.7 | Q182 D188 | Q182-P184 WeakPolarHBondContact O-CD 3.41Å; P184-D188 PolarHBondContact O-N 3.18Å; P184-D188 VanDerWaalsContact O-N 3.09Å |
| 185 | Q | 90.4 | Very high | 89 | Confident | 150 Ų | 150 | 84 Ų | 84 | 70% | 0.701 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -72.1 | -42.8 | -179.6 | -65.8 | -173.8 | -22.4 | 0 | 0 | 110.9 | D183 D188 Q189 | D183-Q185 PolarHBondContact O-N 2.68Å; D183-Q185 WeakPolarHBondContact OD1-CB 3.38Å; D183-Q185 PolarHBondContact OD1-N 3.01Å; Q185-D188 PolarHBondContact O-N 3.4Å; Q185-Q189 PolarHBondContact O-N 3.35Å |
| 186 | M | 87.4 | Confident | 89.1 | Confident | 63 Ų | 63 | 86.9 Ų | 86.9 | 31% | 0.31 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 174.6 | -72.7 | -68 | 146.2 | 0 | 0 | 111 | H180 D183 D188 Q189 L190 | H180-M186 HydrophobicContact CB-CB 4.07Å; D183-M186 HydrophobicContact CB-CB 4.06Å; D183-M186 HydrophobicContact CB-CG 4.24Å; D183-M186 PolarHBondContact O-N 3.46Å; D183-M186 PolarHBondContact OD1-N 3.47Å; D183-M186 VanDerWaalsContact OD1-N 3.14Å; D183-M186 WeakPolarHBondContact OD2-CG 3.37Å; M186-D188 VanDerWaalsContact C-N 3.33Å; M186-D188 PolarHBondContact O-N 3.27Å; M186-Q189 WeakPolarHBondContact O-CA 3.33Å; M186-Q189 WeakPolarHBondContact O-CB 3.16Å; M186-Q189 PolarHBondContact O-N 2.9Å; M186-L190 VanDerWaalsContact O-CG 3.3Å; M186-L190 WeakPolarHBondContact O-CG 3.31Å; M186-L190 PolarHBondContact O-N 2.73Å |
| 187 | L | 88 | Confident | 89.3 | Confident | 73 Ų | 73 | 87 Ų | 87 | 38% | 0.382 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 178.6 | -167 | 66.7 | 0 | 0 | 0 | 112.7 | L177 D183 Q189 L190 S191 | L177-L187 HydrophobicContact CD1-CD1 4.47Å; L177-L187 HydrophobicContact CG-CD1 4.39Å; D183-L187 PolarHBondContact O-N 3.18Å; L187-Q189 VanDerWaalsContact C-N 3.31Å; L187-Q189 PolarHBondContact O-N 3.37Å; L187-L190 PolarHBondContact O-N 2.88Å; L187-S191 PolarHBondContact O-N 2.92Å |
| 188 | D | 89.5 | Confident | 89.5 | Confident | 83 Ų | 83 | 82.7 Ų | 82.7 | 44% | 0.444 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 172.4 | -177.3 | 68.8 | 0 | 0 | 0 | 111.6 | P184 Q185 M186 S191 K192 | P184-D188 PolarHBondContact O-N 3.18Å; P184-D188 VanDerWaalsContact O-N 3.09Å; Q185-D188 PolarHBondContact O-N 3.4Å; M186-D188 VanDerWaalsContact C-N 3.33Å; M186-D188 PolarHBondContact O-N 3.27Å; D188-S191 PolarHBondContact O-N 2.92Å; D188-S191 PolarHBondContact O-OG 2.87Å; D188-K192 WeakPolarHBondContact OD2-CE 3.47Å; D188-K192 IonicContact OD2-NZ 3.5Å; D188-K192 PolarHBondContact OD2-NZ 3Å |
| 189 | Q | 87.7 | Confident | 89.7 | Confident | 115 Ų | 115 | 79.5 Ų | 79.5 | 54% | 0.537 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 174.2 | -66.4 | -178.4 | 7.5 | 0 | 0 | 112.2 | Q185 M186 L187 S191 K192 | Q185-Q189 PolarHBondContact O-N 3.35Å; M186-Q189 WeakPolarHBondContact O-CA 3.33Å; M186-Q189 WeakPolarHBondContact O-CB 3.16Å; M186-Q189 PolarHBondContact O-N 2.9Å; L187-Q189 VanDerWaalsContact C-N 3.31Å; L187-Q189 PolarHBondContact O-N 3.37Å; Q189-S191 PolarHBondContact O-N 3.35Å; Q189-K192 PolarHBondContact O-N 3.33Å |
| 190 | L | 86.8 | Confident | 90 | Very high | 26 Ų | 26 | 73.9 Ų | 73.9 | 14% | 0.136 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.9 | -24.3 | 178 | -58.9 | -162.7 | 0 | 0 | 0 | 113.1 | M136 I172 I176 M186 L187 K192 | M136-L190 HydrophobicContact CE-CD1 3.84Å; M136-L190 HydrophobicContact CE-CD2 3.1Å; M136-L190 HydrophobicContact CE-CG 4.01Å; M136-L190 HydrophobicContact SD-CD2 3.43Å; M136-L190 WeakPolarHBondContact SD-CD2 3.4Å; I172-L190 HydrophobicContact CD1-CB 4.13Å; I172-L190 VanDerWaalsContact CD1-O 3.23Å; I172-L190 WeakPolarHBondContact CD1-O 3.12Å; I176-L190 HydrophobicContact CG2-CD1 4.15Å; M186-L190 VanDerWaalsContact O-CG 3.3Å; M186-L190 WeakPolarHBondContact O-CG 3.31Å; M186-L190 PolarHBondContact O-N 2.73Å; L187-L190 PolarHBondContact O-N 2.88Å; L190-K192 PolarHBondContact O-N 3.37Å |
| 191 | S | 87.7 | Confident | 90.3 | Very high | 85 Ų | 85 | 75.7 Ų | 75.7 | 59% | 0.594 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.1 | 177.3 | 79.3 | 0 | 0 | 0 | 0 | 113.4 | L187 D188 Q189 | L187-S191 PolarHBondContact O-N 2.92Å; D188-S191 PolarHBondContact O-N 2.92Å; D188-S191 PolarHBondContact O-OG 2.87Å; Q189-S191 PolarHBondContact O-N 3.35Å |
| 192 | K | 91.8 | Very high | 90.5 | Very high | 120 Ų | 120 | 75.2 Ų | 75.2 | 52% | 0.522 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -88.9 | 133.3 | -179.2 | -66.1 | 169.1 | -170.3 | 159.7 | 0 | 109.9 | D188 Q189 L190 | D188-K192 WeakPolarHBondContact OD2-CE 3.47Å; D188-K192 IonicContact OD2-NZ 3.5Å; D188-K192 PolarHBondContact OD2-NZ 3Å; Q189-K192 PolarHBondContact O-N 3.33Å; L190-K192 PolarHBondContact O-N 3.37Å |
| 193 | N | 90.8 | Very high | 90.8 | Very high | 104 Ų | 104 | 66 Ų | 66 | 56% | 0.556 | 35% | 0.345 | S | S | * | . | trans | -63.3 | 137.9 | 174.6 | -72.8 | -10.4 | 0 | 0 | 0 | 111.1 | H168 E170 | H168-N193 PolarHBondContact NE2-ND2 3.48Å; E170-N193 WeakPolarHBondContact OE1-CB 3.25Å; E170-N193 WeakPolarHBondContact OE2-CA 3.4Å | ||
| 194 | I | 90 | Very high | 91 | Very high | 78 Ų | 78 | 63.4 Ų | 63.4 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -83.3 | -21.3 | 173.3 | 71 | 179 | 0 | 0 | 0 | 111.7 | T138 V140 E170 | T138-I194 HydrophobicContact CG2-CD1 4.29Å; V140-I194 HydrophobicContact CG2-CD1 4.39Å; E170-I194 PolarHBondContact OE1-N 2.88Å; E170-I194 WeakPolarHBondContact OE2-CG1 3.47Å; E170-I194 PolarHBondContact OE2-N 2.97Å |
| 195 | T | 92.6 | Very high | 91.2 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -112.7 | 160 | -179.6 | 70.9 | 0 | 0 | 0 | 0 | 112.7 | V140 H168 E170 G198 L199 | V140-T195 HydrophobicContact CG1-CG2 4.17Å; V140-T195 HydrophobicContact CG2-CG2 4.01Å; H168-T195 PolarHBondContact CD2-OG1 3.2Å; E170-T195 WeakPolarHBondContact OE1-CB 3.36Å; E170-T195 PolarHBondContact OE1-N 3.27Å; E170-T195 PolarHBondContact OE1-OG1 3.42Å; T195-G198 VanDerWaalsContact OG1-CA 3.29Å; T195-G198 WeakPolarHBondContact OG1-CA 3.43Å; T195-G198 PolarHBondContact OG1-N 2.98Å; T195-L199 WeakPolarHBondContact CB-O 3.37Å |
| 196 | R | 92.5 | Very high | 91.4 | Very high | 145 Ų | 145 | 56.6 Ų | 56.6 | 55% | 0.547 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -114.3 | 118.4 | 167.8 | -62.1 | -177.5 | -176.1 | -155.3 | 1.3 | 108.4 | L74 G198 L199 L204 | L74-R196 HydrophobicContact CD2-CB 4.33Å; R196-G198 PolarHBondContact O-N 2.96Å; R196-L199 PolarHBondContact N-O 3.45Å; R196-L199 PolarHBondContact O-N 2.93Å; R196-L199 VanDerWaalsContact O-N 3.14Å; R196-L204 HydrophobicContact CB-CD1 3.8Å |
| 197 | C | 92.5 | Very high | 91.6 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 33.4 | -171.5 | -53.7 | 0 | 0 | 0 | 0 | 113.3 | F72 C73 H168 L199 | F72-C197 HydrophobicContact CB-CB 4.12Å; F72-C197 HydrophobicContact CD2-CB 4.11Å; F72-C197 HydrophobicContact CG-CB 4.34Å; C73-C197 PolarHBondContact O-SG 3.3Å; H168-C197 WeakPolarHBondContact ND1-CA 3.36Å; C197-L199 PolarHBondContact O-N 3.04Å |
| 198 | G | 91.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -0.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V142 H168 T195 R196 | V142-G198 WeakPolarHBondContact CG2-O 3.36Å; H168-G198 PolarHBondContact CD2-N 3.19Å; H168-G198 PolarHBondContact ND1-N 3.47Å; T195-G198 VanDerWaalsContact OG1-CA 3.29Å; T195-G198 WeakPolarHBondContact OG1-CA 3.43Å; T195-G198 PolarHBondContact OG1-N 2.98Å; R196-G198 PolarHBondContact O-N 2.96Å |
| 199 | L | 94.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -103.5 | 136.6 | 177 | -58.8 | 179.1 | 0 | 0 | 0 | 110.6 | I70 F72 I165 T195 R196 C197 T203 L204 L207 | I70-L199 HydrophobicContact CG2-CD1 4.14Å; F72-L199 HydrophobicContact CD1-CD1 4.06Å; F72-L199 HydrophobicContact CE1-CD1 3.73Å; F72-L199 HydrophobicContact CZ-CD1 4.18Å; I165-L199 HydrophobicContact CD1-CD1 4.07Å; I165-L199 HydrophobicContact CD1-CD2 4.27Å; I165-L199 HydrophobicContact CD1-CG 4.07Å; T195-L199 WeakPolarHBondContact CB-O 3.37Å; R196-L199 PolarHBondContact N-O 3.45Å; R196-L199 PolarHBondContact O-N 2.93Å; R196-L199 VanDerWaalsContact O-N 3.14Å; C197-L199 PolarHBondContact O-N 3.04Å; L199-T203 HydrophobicContact CD2-CG2 4.37Å; L199-L204 HydrophobicContact CB-CD1 4.45Å; L199-L204 HydrophobicContact CB-CD2 4.03Å; L199-L204 HydrophobicContact CB-CG 3.91Å; L199-L204 HydrophobicContact CD1-CD2 3.89Å; L199-L207 HydrophobicContact CD1-CD1 4.2Å |
| 200 | S | 93.6 | Very high | 91.8 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | trans | -66.3 | 158.1 | 174.2 | 75.4 | 0 | 0 | 0 | 0 | 111 | S202 T203 L204 | S200-S202 PolarHBondContact O-N 3.41Å; S200-T203 PolarHBondContact O-N 2.79Å; S200-T203 PolarHBondContact OG-N 3.18Å; S200-T203 PolarHBondContact OG-OG1 3.1Å; S200-L204 PolarHBondContact O-N 3.29Å | ||
| 201 | N | 92.9 | Very high | 91.6 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -35.5 | 174.6 | -75 | -33.4 | 0 | 0 | 0 | 112 | L204 N205 | N201-L204 PolarHBondContact O-N 2.72Å; N201-N205 VanDerWaalsContact O-CB 3.3Å; N201-N205 WeakPolarHBondContact O-CB 3.27Å; N201-N205 PolarHBondContact O-N 3Å; N201-N205 PolarHBondContact O-ND2 3.18Å |
| 202 | S | 93.1 | Very high | 91.2 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.2 | -51.1 | 175.5 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | E97 S200 N205 Y206 | E97-S202 PolarHBondContact O-OG 3.47Å; S200-S202 PolarHBondContact O-N 3.41Å; S202-N205 PolarHBondContact O-N 3.24Å; S202-Y206 WeakPolarHBondContact O-CB 3.34Å; S202-Y206 PolarHBondContact O-N 3.49Å |
| 203 | T | 94.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 178.5 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | Y91 S94 I95 L199 S200 Y206 L207 | Y91-T203 HydrophobicContact CD2-CG2 4.27Å; Y91-T203 HydrophobicContact CE2-CG2 3.94Å; S94-T203 PolarHBondContact O-OG1 2.84Å; S94-T203 WeakPolarHBondContact OG-CA 3.29Å; S94-T203 PolarHBondContact OG-OG1 2.89Å; I95-T203 HydrophobicContact CG1-CG2 4.48Å; L199-T203 HydrophobicContact CD2-CG2 4.37Å; S200-T203 PolarHBondContact O-N 2.79Å; S200-T203 PolarHBondContact OG-N 3.18Å; S200-T203 PolarHBondContact OG-OG1 3.1Å; T203-Y206 WeakPolarHBondContact O-CB 3.43Å; T203-Y206 PolarHBondContact O-N 3.44Å; T203-L207 HydrophobicContact CG2-CD1 4.25Å; T203-L207 WeakPolarHBondContact O-CG 3.24Å; T203-L207 PolarHBondContact O-N 3.02Å |
| 204 | L | 93.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 177.9 | -74.6 | 174.5 | 0 | 0 | 0 | 112.6 | F72 R196 L199 S200 N201 Y206 L207 R208 | F72-L204 HydrophobicContact CE1-CD2 4.23Å; F72-L204 HydrophobicContact CE2-CD2 3.71Å; F72-L204 HydrophobicContact CZ-CD2 3.33Å; R196-L204 HydrophobicContact CB-CD1 3.8Å; L199-L204 HydrophobicContact CB-CD1 4.45Å; L199-L204 HydrophobicContact CB-CD2 4.03Å; L199-L204 HydrophobicContact CB-CG 3.91Å; L199-L204 HydrophobicContact CD1-CD2 3.89Å; S200-L204 PolarHBondContact O-N 3.29Å; N201-L204 PolarHBondContact O-N 2.72Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; L204-L207 PolarHBondContact O-N 3.29Å; L204-R208 VanDerWaalsContact O-CG 3.27Å; L204-R208 WeakPolarHBondContact O-CG 3.32Å; L204-R208 PolarHBondContact O-N 3.28Å |
| 205 | N | 93.4 | Very high | 88.7 | Confident | 80 Ų | 80 | 51.7 Ų | 51.7 | 43% | 0.428 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 176.9 | -71.4 | -23.8 | 0 | 0 | 0 | 111.1 | N201 S202 R208 L209 | N201-N205 VanDerWaalsContact O-CB 3.3Å; N201-N205 WeakPolarHBondContact O-CB 3.27Å; N201-N205 PolarHBondContact O-N 3Å; N201-N205 PolarHBondContact O-ND2 3.18Å; S202-N205 PolarHBondContact O-N 3.24Å; N205-R208 PolarHBondContact O-N 2.98Å; N205-R208 PolarHBondContact OD1-NH1 3.39Å; N205-L209 WeakPolarHBondContact O-CG 3.49Å; N205-L209 PolarHBondContact O-N 3.34Å |
| 206 | Y | 94.4 | Very high | 88 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 11% | 0.114 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -48.6 | 173.5 | 175.4 | -104.6 | 0 | 0 | 0 | 112.3 | I83 L87 R90 Y91 S202 T203 L204 R208 L209 C210 | I83-Y206 HydrophobicContact CD1-CE1 4.44Å; L87-Y206 WeakPolarHBondContact CA-OH 3.26Å; L87-Y206 VanDerWaalsContact CB-OH 3.27Å; L87-Y206 WeakPolarHBondContact CB-OH 3.34Å; L87-Y206 PolarHBondContact O-OH 3.5Å; R90-Y206 HydrophobicContact CB-CE1 4.35Å; R90-Y206 HydrophobicContact CB-CE2 3.64Å; R90-Y206 WeakPolarHBondContact CB-OH 3.34Å; Y91-Y206 VanDerWaalsContact CA-CE1 3.49Å; S202-Y206 WeakPolarHBondContact O-CB 3.34Å; S202-Y206 PolarHBondContact O-N 3.49Å; T203-Y206 WeakPolarHBondContact O-CB 3.43Å; T203-Y206 PolarHBondContact O-N 3.44Å; L204-Y206 VanDerWaalsContact C-N 3.33Å; Y206-R208 VanDerWaalsContact C-N 3.33Å; Y206-R208 PolarHBondContact O-N 3.17Å; Y206-L209 WeakPolarHBondContact O-CB 3.34Å; Y206-L209 PolarHBondContact O-N 3.4Å; Y206-L209 VanDerWaalsContact O-N 3.17Å; Y206-C210 VanDerWaalsContact CE1-SG 3.55Å; Y206-C210 PolarHBondContact O-N 3.31Å; Y206-C210 PolarHBondContact O-SG 2.68Å; Y206-C210 PolarHBondContact OH-SG 3.43Å |
| 207 | L | 92.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 177.6 | -71.3 | 172.5 | 0 | 0 | 0 | 112.2 | F72 Y81 I83 Y91 L199 T203 L204 L209 C210 V211 | F72-L207 HydrophobicContact CE1-CD1 4.46Å; Y81-L207 HydrophobicContact CD1-CB 3.92Å; Y81-L207 WeakPolarHBondContact CD1-O 3.41Å; Y81-L207 HydrophobicContact CD2-CB 4.23Å; Y81-L207 HydrophobicContact CD2-CD1 4.34Å; Y81-L207 HydrophobicContact CE1-CB 4.38Å; Y81-L207 HydrophobicContact CG-CB 3.85Å; Y81-L207 HydrophobicContact CG-CD1 4.47Å; I83-L207 HydrophobicContact CG2-CD2 4.45Å; Y91-L207 HydrophobicContact CD2-CD2 4.07Å; Y91-L207 HydrophobicContact CE2-CD2 4.41Å; L199-L207 HydrophobicContact CD1-CD1 4.2Å; T203-L207 HydrophobicContact CG2-CD1 4.25Å; T203-L207 WeakPolarHBondContact O-CG 3.24Å; T203-L207 PolarHBondContact O-N 3.02Å; L204-L207 PolarHBondContact O-N 3.29Å; L207-L209 PolarHBondContact O-N 3.5Å; L207-C210 PolarHBondContact O-N 3.16Å; L207-V211 PolarHBondContact O-N 2.97Å |
| 208 | R | 91.4 | Very high | 87 | Confident | 100 Ų | 100 | 54.7 Ų | 54.7 | 38% | 0.377 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 174.3 | -72.1 | 166 | 178.3 | 169.3 | -4.6 | 112.3 | Y81 L204 N205 Y206 C210 V211 | Y81-R208 HydrophobicContact CE1-CG 4.3Å; L204-R208 VanDerWaalsContact O-CG 3.27Å; L204-R208 WeakPolarHBondContact O-CG 3.32Å; L204-R208 PolarHBondContact O-N 3.28Å; N205-R208 PolarHBondContact O-N 2.98Å; N205-R208 PolarHBondContact OD1-NH1 3.39Å; Y206-R208 VanDerWaalsContact C-N 3.33Å; Y206-R208 PolarHBondContact O-N 3.17Å; R208-C210 VanDerWaalsContact C-N 3.35Å; R208-V211 PolarHBondContact O-N 3.47Å |
| 209 | L | 89.3 | Confident | 86.7 | Confident | 103 Ų | 103 | 56 Ų | 56 | 54% | 0.539 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 176.4 | -72.1 | 169.3 | 0 | 0 | 0 | 111.6 | N205 Y206 L207 V211 I212 L213 | N205-L209 WeakPolarHBondContact O-CG 3.49Å; N205-L209 PolarHBondContact O-N 3.34Å; Y206-L209 WeakPolarHBondContact O-CB 3.34Å; Y206-L209 PolarHBondContact O-N 3.4Å; Y206-L209 VanDerWaalsContact O-N 3.17Å; L207-L209 PolarHBondContact O-N 3.5Å; L209-V211 VanDerWaalsContact C-N 3.28Å; L209-V211 PolarHBondContact O-N 2.94Å; L209-I212 PolarHBondContact O-N 3.06Å; L209-L213 WeakPolarHBondContact O-CG 3.25Å; L209-L213 PolarHBondContact O-N 2.68Å |
| 210 | C | 88 | Confident | 86.2 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.034 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60 | -36 | -179.4 | -67 | 0 | 0 | 0 | 0 | 113.3 | I83 L87 Y206 L207 R208 I212 L213 | I83-C210 HydrophobicContact CG2-CB 3.55Å; L87-C210 HydrophobicContact CD1-CB 4.04Å; Y206-C210 VanDerWaalsContact CE1-SG 3.55Å; Y206-C210 PolarHBondContact O-N 3.31Å; Y206-C210 PolarHBondContact O-SG 2.68Å; Y206-C210 PolarHBondContact OH-SG 3.43Å; L207-C210 PolarHBondContact O-N 3.16Å; R208-C210 VanDerWaalsContact C-N 3.35Å; C210-I212 PolarHBondContact O-N 3.37Å; C210-L213 PolarHBondContact O-N 3.06Å |
| 211 | V | 82.8 | Confident | 85.8 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 47% | 0.473 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -31.9 | 175.7 | 177.7 | 0 | 0 | 0 | 0 | 112 | Y81 L207 R208 L209 P215 | Y81-V211 HydrophobicContact CD1-CG2 3.41Å; Y81-V211 VanDerWaalsContact CD1-CG2 3.41Å; Y81-V211 HydrophobicContact CE1-CG2 3.67Å; L207-V211 PolarHBondContact O-N 2.97Å; R208-V211 PolarHBondContact O-N 3.47Å; L209-V211 VanDerWaalsContact C-N 3.28Å; L209-V211 PolarHBondContact O-N 2.94Å; V211-P215 WeakPolarHBondContact O-CD 3.39Å |
| 212 | I | 80 | Confident | 85.4 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 49% | 0.492 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -85 | -31.3 | -179.7 | -57.6 | 171.3 | 0 | 0 | 0 | 110.6 | L209 C210 E214 P215 M216 | L209-I212 PolarHBondContact O-N 3.06Å; C210-I212 PolarHBondContact O-N 3.37Å; I212-E214 VanDerWaalsContact C-N 3.33Å; I212-E214 PolarHBondContact O-N 3.27Å; I212-P215 WeakPolarHBondContact O-CD 3.44Å; I212-P215 VanDerWaalsContact O-CG 3.25Å; I212-P215 WeakPolarHBondContact O-CG 3.28Å; I212-M216 HydrophobicContact CG2-CG 4.2Å; I212-M216 HydrophobicContact CG2-SD 3.95Å; I212-M216 VanDerWaalsContact O-CG 3.28Å; I212-M216 WeakPolarHBondContact O-CG 3.38Å; I212-M216 PolarHBondContact O-N 3.31Å |
| 213 | L | 76.2 | Confident | 85.1 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 29% | 0.293 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.2 | -33.2 | -176.2 | -74.4 | 172.2 | 0 | 0 | 0 | 113 | L209 C210 M216 Q217 | L209-L213 WeakPolarHBondContact O-CG 3.25Å; L209-L213 PolarHBondContact O-N 2.68Å; C210-L213 PolarHBondContact O-N 3.06Å; L213-M216 CarbonylContact O-C 3.59Å; L213-M216 WeakPolarHBondContact O-CA 3.32Å; L213-M216 WeakPolarHBondContact O-CB 3.21Å; L213-M216 PolarHBondContact O-N 3.39Å; L213-Q217 WeakPolarHBondContact O-CG 3.45Å; L213-Q217 PolarHBondContact O-N 3.25Å |
| 214 | E | 71.1 | Confident | 84.9 | Confident | 138 Ų | 138 | 70.6 Ų | 70.6 | 65% | 0.645 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59 | -56.2 | 178.6 | -174.9 | 174.4 | -171.3 | 0 | 0 | 113 | I212 M216 Q217 | I212-E214 VanDerWaalsContact C-N 3.33Å; I212-E214 PolarHBondContact O-N 3.27Å; E214-M216 PolarHBondContact O-N 3.32Å; E214-Q217 WeakPolarHBondContact O-CB 3.08Å; E214-Q217 PolarHBondContact O-N 3.01Å |
| 215 | P | 72.3 | Confident | 84.7 | Confident | 68 Ų | 68 | 75.1 Ų | 75.1 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.4 | -26 | 173.7 | 25.3 | -33.7 | 0 | 0 | 0 | 112.7 | V211 I212 Q217 E218 | V211-P215 WeakPolarHBondContact O-CD 3.39Å; I212-P215 WeakPolarHBondContact O-CD 3.44Å; I212-P215 VanDerWaalsContact O-CG 3.25Å; I212-P215 WeakPolarHBondContact O-CG 3.28Å; P215-Q217 VanDerWaalsContact C-N 3.27Å; P215-Q217 PolarHBondContact O-N 3.06Å; P215-E218 PolarHBondContact O-N 2.93Å |
| 216 | M | 78.1 | Confident | 84.4 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 39% | 0.389 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.4 | -23.2 | 173.4 | -72.8 | -169.2 | 76.1 | 0 | 0 | 113.1 | I212 L213 E214 E218 L219 M220 | I212-M216 HydrophobicContact CG2-CG 4.2Å; I212-M216 HydrophobicContact CG2-SD 3.95Å; I212-M216 VanDerWaalsContact O-CG 3.28Å; I212-M216 WeakPolarHBondContact O-CG 3.38Å; I212-M216 PolarHBondContact O-N 3.31Å; L213-M216 CarbonylContact O-C 3.59Å; L213-M216 WeakPolarHBondContact O-CA 3.32Å; L213-M216 WeakPolarHBondContact O-CB 3.21Å; L213-M216 PolarHBondContact O-N 3.39Å; E214-M216 PolarHBondContact O-N 3.32Å; M216-E218 VanDerWaalsContact C-N 3.31Å; M216-E218 PolarHBondContact O-N 3.02Å; M216-L219 CarbonylContact O-C 3.53Å; M216-L219 WeakPolarHBondContact O-CA 3.44Å; M216-L219 WeakPolarHBondContact O-CB 3.49Å; M216-L219 PolarHBondContact O-N 2.99Å; M216-M220 HydrophobicContact CB-CE 4.31Å; M216-M220 WeakPolarHBondContact O-CB 3.34Å; M216-M220 WeakPolarHBondContact O-CG 3.49Å; M216-M220 PolarHBondContact O-N 3.06Å |
| 217 | Q | 80.9 | Confident | 84.1 | Confident | 104 Ų | 104 | 82.3 Ų | 82.3 | 49% | 0.486 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 176.1 | -71.9 | 175.6 | 9.1 | 0 | 0 | 112.3 | L213 E214 P215 L219 M220 S221 | L213-Q217 WeakPolarHBondContact O-CG 3.45Å; L213-Q217 PolarHBondContact O-N 3.25Å; E214-Q217 WeakPolarHBondContact O-CB 3.08Å; E214-Q217 PolarHBondContact O-N 3.01Å; P215-Q217 VanDerWaalsContact C-N 3.27Å; P215-Q217 PolarHBondContact O-N 3.06Å; Q217-L219 VanDerWaalsContact C-N 3.27Å; Q217-L219 PolarHBondContact O-N 2.95Å; Q217-M220 HydrophobicContact CB-CE 4.45Å; Q217-M220 HydrophobicContact CG-CE 3.95Å; Q217-M220 PolarHBondContact O-N 3.25Å; Q217-S221 WeakPolarHBondContact O-CB 3.42Å; Q217-S221 PolarHBondContact O-N 3.43Å; Q217-S221 PolarHBondContact O-OG 3.18Å |
| 218 | E | 83.3 | Confident | 83.9 | Confident | 53 Ų | 53 | 85.6 Ų | 85.6 | 25% | 0.248 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63 | -36.1 | 172.5 | -171.1 | -176.1 | 176.4 | 0 | 0 | 111.3 | P215 M216 S221 R222 K241 | P215-E218 PolarHBondContact O-N 2.93Å; M216-E218 VanDerWaalsContact C-N 3.31Å; M216-E218 PolarHBondContact O-N 3.02Å; E218-S221 PolarHBondContact O-OG 2.78Å; E218-R222 VanDerWaalsContact O-CG 3.31Å; E218-R222 WeakPolarHBondContact O-CG 3.43Å; E218-R222 PolarHBondContact O-N 3.03Å; E218-R222 IonicContact OE1-CZ 3.68Å; E218-R222 IonicContact OE1-NE 3.75Å; E218-R222 IonicContact OE1-NH2 2.86Å; E218-R222 PolarHBondContact OE1-NH2 3.37Å; E218-K241 WeakPolarHBondContact OE2-CE 3.39Å; E218-K241 IonicContact OE2-NZ 2.66Å; E218-K241 PolarHBondContact OE2-NZ 2.84Å |
| 219 | L | 84.6 | Confident | 83.8 | Confident | 32 Ų | 32 | 83.2 Ų | 83.2 | 17% | 0.168 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -72.5 | -43.8 | 177.6 | -60 | 176.2 | 0 | 0 | 0 | 111.6 | M216 Q217 R222 H223 C233 L234 C237 | M216-L219 CarbonylContact O-C 3.53Å; M216-L219 WeakPolarHBondContact O-CA 3.44Å; M216-L219 WeakPolarHBondContact O-CB 3.49Å; M216-L219 PolarHBondContact O-N 2.99Å; Q217-L219 VanDerWaalsContact C-N 3.27Å; Q217-L219 PolarHBondContact O-N 2.95Å; L219-R222 PolarHBondContact O-N 2.85Å; L219-H223 WeakPolarHBondContact O-CB 3.38Å; L219-H223 PolarHBondContact O-N 2.98Å; L219-C233 HydrophobicContact CD2-CB 4.2Å; L219-C233 WeakPolarHBondContact CD2-O 3.31Å; L219-L234 HydrophobicContact CD1-CB 4.42Å; L219-L234 HydrophobicContact CD1-CD1 3.9Å; L219-L234 HydrophobicContact CD2-CB 4.2Å; L219-L234 HydrophobicContact CD2-CD1 4.27Å; L219-C237 HydrophobicContact CD2-CB 3.79Å; L219-C237 VanDerWaalsContact CD2-SG 3.53Å |
| 220 | M | 83.4 | Confident | 83.7 | Confident | 95 Ų | 95 | 82.6 Ų | 82.6 | 47% | 0.468 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 178.6 | -72.1 | -173.2 | -72.4 | 0 | 0 | 111.6 | M216 Q217 R222 H223 K224 | M216-M220 HydrophobicContact CB-CE 4.31Å; M216-M220 WeakPolarHBondContact O-CB 3.34Å; M216-M220 WeakPolarHBondContact O-CG 3.49Å; M216-M220 PolarHBondContact O-N 3.06Å; Q217-M220 HydrophobicContact CB-CE 4.45Å; Q217-M220 HydrophobicContact CG-CE 3.95Å; Q217-M220 PolarHBondContact O-N 3.25Å; M220-R222 PolarHBondContact O-N 2.88Å; M220-H223 PolarHBondContact O-N 3.33Å; M220-K224 WeakPolarHBondContact O-CB 3.32Å; M220-K224 PolarHBondContact O-N 3.42Å |
| 221 | S | 86.4 | Confident | 83.7 | Confident | 61 Ų | 61 | 92.1 Ų | 92.1 | 43% | 0.427 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 176.6 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | Q217 E218 K224 T225 | Q217-S221 WeakPolarHBondContact O-CB 3.42Å; Q217-S221 PolarHBondContact O-N 3.43Å; Q217-S221 PolarHBondContact O-OG 3.18Å; E218-S221 PolarHBondContact O-OG 2.78Å; S221-K224 PolarHBondContact O-N 2.97Å; S221-T225 WeakPolarHBondContact O-CB 3.49Å; S221-T225 PolarHBondContact O-N 3.28Å; S221-T225 PolarHBondContact O-OG1 3.43Å |
| 222 | R | 83.4 | Confident | 84 | Confident | 33 Ų | 33 | 91.5 Ų | 91.5 | 13% | 0.125 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 175.5 | -71.3 | -178.6 | -170.7 | -139.5 | 11.2 | 112.6 | E218 L219 M220 K224 T225 Y226 C233 C237 Q240 | E218-R222 VanDerWaalsContact O-CG 3.31Å; E218-R222 WeakPolarHBondContact O-CG 3.43Å; E218-R222 PolarHBondContact O-N 3.03Å; E218-R222 IonicContact OE1-CZ 3.68Å; E218-R222 IonicContact OE1-NE 3.75Å; E218-R222 IonicContact OE1-NH2 2.86Å; E218-R222 PolarHBondContact OE1-NH2 3.37Å; L219-R222 PolarHBondContact O-N 2.85Å; M220-R222 PolarHBondContact O-N 2.88Å; R222-K224 VanDerWaalsContact C-N 3.27Å; R222-K224 PolarHBondContact O-N 2.82Å; R222-T225 PolarHBondContact O-N 2.94Å; R222-Y226 HydrophobicContact CB-CD2 4.06Å; R222-Y226 HydrophobicContact CB-CE2 4.42Å; R222-Y226 HydrophobicContact CG-CD2 4.33Å; R222-Y226 HydrophobicContact CG-CE2 4.19Å; R222-Y226 WeakPolarHBondContact O-CB 3.36Å; R222-Y226 WeakPolarHBondContact O-CD2 3.41Å; R222-Y226 PolarHBondContact O-N 2.78Å; R222-C233 HydrophobicContact CB-CB 4.47Å; R222-C237 WeakPolarHBondContact CD-SG 3.35Å; R222-C237 PolarHBondContact NE-SG 3.31Å; R222-Q240 VanDerWaalsContact CZ-OE1 3.27Å; R222-Q240 VanDerWaalsContact NH1-CD 3.33Å |
| 223 | H | 87.8 | Confident | 84.5 | Confident | 84 Ų | 84 | 87 Ų | 87 | 39% | 0.389 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -56.2 | -46.2 | 173.8 | 179 | 69.6 | 0 | 0 | 0 | 110.6 | L219 M220 S227 L228 C233 | L219-H223 WeakPolarHBondContact O-CB 3.38Å; L219-H223 PolarHBondContact O-N 2.98Å; M220-H223 PolarHBondContact O-N 3.33Å; H223-S227 WeakPolarHBondContact O-CA 3.5Å; H223-S227 PolarHBondContact O-N 3.41Å; H223-L228 PolarHBondContact CE1-O 3.47Å; H223-L228 PolarHBondContact ND1-O 3.31Å; H223-C233 VanDerWaalsContact CA-SG 3.58Å; H223-C233 PolarHBondContact N-SG 2.91Å |
| 224 | K | 89.4 | Confident | 85.1 | Confident | 185 Ų | 185 | 88.2 Ų | 88.2 | 80% | 0.804 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.5 | -33.3 | 178.9 | -166.9 | 173.4 | -176.4 | 178.5 | 0 | 113.6 | M220 S221 R222 | M220-K224 WeakPolarHBondContact O-CB 3.32Å; M220-K224 PolarHBondContact O-N 3.42Å; S221-K224 PolarHBondContact O-N 2.97Å; R222-K224 VanDerWaalsContact C-N 3.27Å; R222-K224 PolarHBondContact O-N 2.82Å |
| 225 | T | 89.1 | Confident | 86 | Confident | 97 Ų | 97 | 88.3 Ų | 88.3 | 60% | 0.595 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -82.4 | -40.8 | -176.8 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | S221 R222 | S221-T225 WeakPolarHBondContact O-CB 3.49Å; S221-T225 PolarHBondContact O-N 3.28Å; S221-T225 PolarHBondContact O-OG1 3.43Å; R222-T225 PolarHBondContact O-N 2.94Å |
| 226 | Y | 88.3 | Confident | 86.8 | Confident | 154 Ų | 154 | 87.6 Ų | 87.6 | 60% | 0.604 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -110.1 | -3.7 | -170.7 | -56.5 | -66.4 | 0 | 0 | 0 | 113.6 | R222 L228 | R222-Y226 HydrophobicContact CB-CD2 4.06Å; R222-Y226 HydrophobicContact CB-CE2 4.42Å; R222-Y226 HydrophobicContact CG-CD2 4.33Å; R222-Y226 HydrophobicContact CG-CE2 4.19Å; R222-Y226 WeakPolarHBondContact O-CB 3.36Å; R222-Y226 WeakPolarHBondContact O-CD2 3.41Å; R222-Y226 PolarHBondContact O-N 2.78Å; Y226-L228 PolarHBondContact O-N 2.8Å |
| 227 | S | 88.4 | Confident | 87.2 | Confident | 107 Ų | 107 | 84 Ų | 84 | 75% | 0.748 | 42% | 0.423 | S | S | * | . | trans | 53.1 | 27.9 | -177.7 | -57.2 | 0 | 0 | 0 | 0 | 113.9 | H223 | H223-S227 WeakPolarHBondContact O-CA 3.5Å; H223-S227 PolarHBondContact O-N 3.41Å | ||
| 228 | L | 87.8 | Confident | 87.5 | Confident | 70 Ų | 70 | 84 Ų | 84 | 37% | 0.366 | 43% | 0.426 | S | S | . | . | trans | -80 | 154.5 | 179.2 | -67.6 | 173.2 | 0 | 0 | 0 | 110.7 | H223 Y226 D232 | H223-L228 PolarHBondContact CE1-O 3.47Å; H223-L228 PolarHBondContact ND1-O 3.31Å; Y226-L228 PolarHBondContact O-N 2.8Å; L228-D232 HydrophobicContact CB-CB 4.45Å | ||
| 229 | S | 89.4 | Confident | 87.8 | Confident | 50 Ų | 50 | 86.9 Ų | 86.9 | 35% | 0.35 | 44% | 0.437 | S | S | . | . | trans | -59.7 | 148.9 | 173.4 | 85.2 | 0 | 0 | 0 | 0 | 111 | R231 D232 C233 | S229-R231 PolarHBondContact O-N 3.06Å; S229-R231 VanDerWaalsContact O-N 3.16Å; S229-D232 WeakPolarHBondContact CB-OD2 3.44Å; S229-D232 PolarHBondContact O-N 2.92Å; S229-D232 PolarHBondContact OG-N 3.09Å; S229-D232 VanDerWaalsContact OG-N 3.17Å; S229-D232 PolarHBondContact OG-OD2 3.12Å; S229-C233 PolarHBondContact O-N 3.45Å; S229-C233 PolarHBondContact O-SG 2.86Å; S229-C233 VanDerWaalsContact O-SG 3.35Å | ||
| 230 | P | 86.3 | Confident | 87.9 | Confident | 89 Ų | 89 | 88.4 Ų | 88.4 | 58% | 0.578 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -55.8 | -32.5 | 177.2 | -28.3 | 35.8 | 0 | 0 | 0 | 113.5 | L234 | P230-L234 PolarHBondContact O-N 2.9Å; P230-L234 VanDerWaalsContact O-N 3.15Å |
| 231 | R | 88.3 | Confident | 88 | Confident | 206 Ų | 206 | 87.7 Ų | 87.7 | 78% | 0.777 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.8 | -39.7 | 174.8 | -73.2 | -171.9 | 177.6 | -162.1 | 0 | 112.1 | S229 L234 K235 | S229-R231 PolarHBondContact O-N 3.06Å; S229-R231 VanDerWaalsContact O-N 3.16Å; R231-L234 PolarHBondContact O-N 2.9Å; R231-K235 WeakPolarHBondContact O-CG 3.16Å; R231-K235 PolarHBondContact O-N 3.37Å |
| 232 | D | 89.8 | Confident | 88.2 | Confident | 65 Ų | 65 | 91.5 Ų | 91.5 | 35% | 0.348 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -73.2 | -37.1 | 178.9 | -60.5 | -40.3 | 0 | 0 | 0 | 111.5 | L228 S229 L234 K235 T236 | L228-D232 HydrophobicContact CB-CB 4.45Å; S229-D232 WeakPolarHBondContact CB-OD2 3.44Å; S229-D232 PolarHBondContact O-N 2.92Å; S229-D232 PolarHBondContact OG-N 3.09Å; S229-D232 VanDerWaalsContact OG-N 3.17Å; S229-D232 PolarHBondContact OG-OD2 3.12Å; D232-L234 PolarHBondContact O-N 3.03Å; D232-K235 PolarHBondContact O-N 3.06Å; D232-T236 PolarHBondContact O-N 3.46Å; D232-T236 PolarHBondContact O-OG1 2.84Å; D232-T236 VanDerWaalsContact O-OG1 3.07Å |
| 233 | C | 89.4 | Confident | 88.5 | Confident | 1 Ų | 1 | 94.4 Ų | 94.4 | 1% | 0.007 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -55.2 | -44.1 | 170.8 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | L219 R222 H223 S229 C237 | L219-C233 HydrophobicContact CD2-CB 4.2Å; L219-C233 WeakPolarHBondContact CD2-O 3.31Å; R222-C233 HydrophobicContact CB-CB 4.47Å; H223-C233 VanDerWaalsContact CA-SG 3.58Å; H223-C233 PolarHBondContact N-SG 2.91Å; S229-C233 PolarHBondContact O-N 3.45Å; S229-C233 PolarHBondContact O-SG 2.86Å; S229-C233 VanDerWaalsContact O-SG 3.35Å; C233-C237 VanDerWaalsContact O-CB 3.32Å; C233-C237 WeakPolarHBondContact O-CB 3.46Å; C233-C237 PolarHBondContact O-N 3.34Å; C233-C237 PolarHBondContact O-SG 2.94Å |
| 234 | L | 89.6 | Confident | 88.4 | Confident | 82 Ų | 82 | 97.8 Ų | 97.8 | 43% | 0.429 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 177 | -179.5 | 64.8 | 0 | 0 | 0 | 111.6 | L219 P230 R231 D232 T236 C237 L238 | L219-L234 HydrophobicContact CD1-CB 4.42Å; L219-L234 HydrophobicContact CD1-CD1 3.9Å; L219-L234 HydrophobicContact CD2-CB 4.2Å; L219-L234 HydrophobicContact CD2-CD1 4.27Å; P230-L234 PolarHBondContact O-N 2.9Å; P230-L234 VanDerWaalsContact O-N 3.15Å; R231-L234 PolarHBondContact O-N 2.9Å; D232-L234 PolarHBondContact O-N 3.03Å; L234-T236 PolarHBondContact O-N 3.09Å; L234-C237 PolarHBondContact O-N 3.28Å; L234-L238 HydrophobicContact CD1-CD1 3.86Å; L234-L238 HydrophobicContact CD1-CD2 4.49Å; L234-L238 HydrophobicContact CD1-CG 3.95Å; L234-L238 HydrophobicContact CG-CD1 3.84Å; L234-L238 HydrophobicContact CG-CG 4.31Å; L234-L238 WeakPolarHBondContact O-CB 3.48Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.3Å; L234-L238 PolarHBondContact O-N 3.5Å |
| 235 | K | 90.9 | Very high | 88 | Confident | 139 Ų | 139 | 96.1 Ų | 96.1 | 60% | 0.604 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -55.7 | -49.4 | 177.4 | -74.1 | 176.8 | -178.8 | 174 | 0 | 111.5 | R231 D232 L238 F239 | R231-K235 WeakPolarHBondContact O-CG 3.16Å; R231-K235 PolarHBondContact O-N 3.37Å; D232-K235 PolarHBondContact O-N 3.06Å; K235-L238 PolarHBondContact O-N 2.91Å; K235-F239 VanDerWaalsContact O-CB 3.27Å; K235-F239 WeakPolarHBondContact O-CB 3.43Å; K235-F239 PolarHBondContact O-N 2.9Å |
| 236 | T | 87.4 | Confident | 87.7 | Confident | 54 Ų | 54 | 95.6 Ų | 95.6 | 33% | 0.331 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | -179.3 | -52.3 | 0 | 0 | 0 | 0 | 112 | D232 L234 Q240 | D232-T236 PolarHBondContact O-N 3.46Å; D232-T236 PolarHBondContact O-OG1 2.84Å; D232-T236 VanDerWaalsContact O-OG1 3.07Å; L234-T236 PolarHBondContact O-N 3.09Å; T236-Q240 HydrophobicContact CG2-CG 4.49Å; T236-Q240 WeakPolarHBondContact O-CB 3.45Å; T236-Q240 VanDerWaalsContact O-CG 3.3Å; T236-Q240 WeakPolarHBondContact O-CG 3.36Å; T236-Q240 PolarHBondContact O-N 3.41Å |
| 237 | C | 87 | Confident | 87.1 | Confident | 4 Ų | 4 | 90.9 Ų | 90.9 | 3% | 0.027 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 174.7 | -86.2 | 0 | 0 | 0 | 0 | 112.2 | L219 R222 C233 L234 F239 Q240 K241 | L219-C237 HydrophobicContact CD2-CB 3.79Å; L219-C237 VanDerWaalsContact CD2-SG 3.53Å; R222-C237 WeakPolarHBondContact CD-SG 3.35Å; R222-C237 PolarHBondContact NE-SG 3.31Å; C233-C237 VanDerWaalsContact O-CB 3.32Å; C233-C237 WeakPolarHBondContact O-CB 3.46Å; C233-C237 PolarHBondContact O-N 3.34Å; C233-C237 PolarHBondContact O-SG 2.94Å; L234-C237 PolarHBondContact O-N 3.28Å; C237-F239 VanDerWaalsContact C-N 3.35Å; C237-Q240 PolarHBondContact O-N 2.85Å; C237-K241 WeakPolarHBondContact O-CB 3.3Å; C237-K241 WeakPolarHBondContact O-CG 3.41Å; C237-K241 PolarHBondContact O-N 3.3Å |
| 238 | L | 87.8 | Confident | 85.9 | Confident | 104 Ų | 104 | 91.1 Ų | 91.1 | 55% | 0.545 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | -179.9 | -70.2 | 175.9 | 0 | 0 | 0 | 110.9 | L234 K235 Q240 K241 W242 | L234-L238 HydrophobicContact CD1-CD1 3.86Å; L234-L238 HydrophobicContact CD1-CD2 4.49Å; L234-L238 HydrophobicContact CD1-CG 3.95Å; L234-L238 HydrophobicContact CG-CD1 3.84Å; L234-L238 HydrophobicContact CG-CG 4.31Å; L234-L238 WeakPolarHBondContact O-CB 3.48Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.3Å; L234-L238 PolarHBondContact O-N 3.5Å; K235-L238 PolarHBondContact O-N 2.91Å; L238-Q240 PolarHBondContact O-N 3.44Å; L238-K241 PolarHBondContact O-N 3.42Å; L238-W242 VanDerWaalsContact O-CB 3.32Å; L238-W242 WeakPolarHBondContact O-CB 3.32Å; L238-W242 PolarHBondContact O-N 2.71Å |
| 239 | F | 89.8 | Confident | 84.6 | Confident | 113 Ų | 113 | 93.7 Ų | 93.7 | 50% | 0.496 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 178.6 | -172.3 | -109.2 | 0 | 0 | 0 | 112.2 | K235 C237 W242 Q243 | K235-F239 VanDerWaalsContact O-CB 3.27Å; K235-F239 WeakPolarHBondContact O-CB 3.43Å; K235-F239 PolarHBondContact O-N 2.9Å; C237-F239 VanDerWaalsContact C-N 3.35Å; F239-W242 HydrophobicContact CD2-CE3 4.25Å; F239-W242 HydrophobicContact CE2-CE3 4.09Å; F239-W242 HydrophobicContact CE2-CZ3 4.08Å; F239-W242 PolarHBondContact O-N 2.95Å; F239-Q243 HydrophobicContact CD1-CG 4.28Å; F239-Q243 HydrophobicContact CE1-CG 4Å; F239-Q243 HydrophobicContact CZ-CG 4.12Å; F239-Q243 WeakPolarHBondContact O-CB 3.38Å; F239-Q243 WeakPolarHBondContact O-CG 3.35Å; F239-Q243 PolarHBondContact O-N 2.83Å |
| 240 | Q | 86.1 | Confident | 83.1 | Confident | 63 Ų | 63 | 96 Ų | 96 | 29% | 0.294 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 176.3 | -74.3 | 178.7 | 2.1 | 0 | 0 | 112.8 | R222 T236 C237 L238 W242 Q243 R244 | R222-Q240 VanDerWaalsContact CZ-OE1 3.27Å; R222-Q240 VanDerWaalsContact NH1-CD 3.33Å; T236-Q240 HydrophobicContact CG2-CG 4.49Å; T236-Q240 WeakPolarHBondContact O-CB 3.45Å; T236-Q240 VanDerWaalsContact O-CG 3.3Å; T236-Q240 WeakPolarHBondContact O-CG 3.36Å; T236-Q240 PolarHBondContact O-N 3.41Å; C237-Q240 PolarHBondContact O-N 2.85Å; L238-Q240 PolarHBondContact O-N 3.44Å; Q240-W242 VanDerWaalsContact C-N 3.34Å; Q240-Q243 PolarHBondContact O-N 2.85Å; Q240-R244 WeakPolarHBondContact O-CG 3.47Å; Q240-R244 PolarHBondContact O-N 3.24Å |
| 241 | K | 86.6 | Confident | 81.4 | Confident | 80 Ų | 80 | 100.2 Ų | 100.2 | 35% | 0.348 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 175.3 | -76.9 | -177.1 | -178.9 | 177.1 | 0 | 110.9 | E218 C237 L238 R244 M245 | E218-K241 WeakPolarHBondContact OE2-CE 3.39Å; E218-K241 IonicContact OE2-NZ 2.66Å; E218-K241 PolarHBondContact OE2-NZ 2.84Å; C237-K241 WeakPolarHBondContact O-CB 3.3Å; C237-K241 WeakPolarHBondContact O-CG 3.41Å; C237-K241 PolarHBondContact O-N 3.3Å; L238-K241 PolarHBondContact O-N 3.42Å; K241-R244 PolarHBondContact O-N 3.4Å; K241-M245 HydrophobicContact CB-CE 4.34Å; K241-M245 WeakPolarHBondContact O-CE 3.29Å; K241-M245 PolarHBondContact O-N 3.5Å; K241-M245 VanDerWaalsContact O-N 3.09Å |
| 242 | W | 90.4 | Very high | 79.5 | Confident | 141 Ų | 141 | 96.1 Ų | 96.1 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 174.4 | 177.8 | 82.3 | 0 | 0 | 0 | 111.8 | L238 F239 Q240 R244 M245 V246 | L238-W242 VanDerWaalsContact O-CB 3.32Å; L238-W242 WeakPolarHBondContact O-CB 3.32Å; L238-W242 PolarHBondContact O-N 2.71Å; F239-W242 HydrophobicContact CD2-CE3 4.25Å; F239-W242 HydrophobicContact CE2-CE3 4.09Å; F239-W242 HydrophobicContact CE2-CZ3 4.08Å; F239-W242 PolarHBondContact O-N 2.95Å; Q240-W242 VanDerWaalsContact C-N 3.34Å; W242-R244 VanDerWaalsContact C-N 3.27Å; W242-R244 PolarHBondContact O-N 3.36Å; W242-M245 PolarHBondContact O-N 2.92Å; W242-V246 HydrophobicContact CD2-CG2 4.13Å; W242-V246 HydrophobicContact CG-CG2 4.32Å; W242-V246 HydrophobicContact CZ2-CB 4.42Å; W242-V246 HydrophobicContact CZ2-CG1 4.32Å; W242-V246 HydrophobicContact CZ2-CG2 3.98Å; W242-V246 WeakPolarHBondContact O-CG2 3.27Å; W242-V246 PolarHBondContact O-N 3.38Å |
| 243 | Q | 88.3 | Confident | 77.5 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.1 | -40 | 176.5 | -76.7 | -177.9 | -45.8 | 0 | 0 | 112.3 | F239 Q240 A247 | F239-Q243 HydrophobicContact CD1-CG 4.28Å; F239-Q243 HydrophobicContact CE1-CG 4Å; F239-Q243 HydrophobicContact CZ-CG 4.12Å; F239-Q243 WeakPolarHBondContact O-CB 3.38Å; F239-Q243 WeakPolarHBondContact O-CG 3.35Å; F239-Q243 PolarHBondContact O-N 2.83Å; Q240-Q243 PolarHBondContact O-N 2.85Å; Q243-A247 WeakPolarHBondContact O-CB 3.14Å; Q243-A247 PolarHBondContact O-N 2.94Å |
| 244 | R | 86.1 | Confident | 75.6 | Confident | 155 Ų | 155 | 109 Ų | 109 | 59% | 0.585 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.2 | -33.2 | 176.1 | -70.7 | 179.4 | -135.2 | 156.9 | 1.7 | 113.3 | Q240 K241 W242 | Q240-R244 WeakPolarHBondContact O-CG 3.47Å; Q240-R244 PolarHBondContact O-N 3.24Å; K241-R244 PolarHBondContact O-N 3.4Å; W242-R244 VanDerWaalsContact C-N 3.27Å; W242-R244 PolarHBondContact O-N 3.36Å |
| 245 | M | 81.6 | Confident | 73.5 | Confident | 151 Ų | 151 | 113.9 Ų | 113.9 | 74% | 0.744 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -76.8 | -32.8 | 177.7 | -78.3 | -174 | -80.8 | 0 | 0 | 112.8 | K241 W242 | K241-M245 HydrophobicContact CB-CE 4.34Å; K241-M245 WeakPolarHBondContact O-CE 3.29Å; K241-M245 PolarHBondContact O-N 3.5Å; K241-M245 VanDerWaalsContact O-N 3.09Å; W242-M245 PolarHBondContact O-N 2.92Å |
| 246 | V | 83.3 | Confident | 71.2 | Confident | 86 Ų | 86 | 115.9 Ų | 115.9 | 52% | 0.521 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -91.4 | -16.1 | -178.9 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | W242 | W242-V246 HydrophobicContact CD2-CG2 4.13Å; W242-V246 HydrophobicContact CG-CG2 4.32Å; W242-V246 HydrophobicContact CZ2-CB 4.42Å; W242-V246 HydrophobicContact CZ2-CG1 4.32Å; W242-V246 HydrophobicContact CZ2-CG2 3.98Å; W242-V246 WeakPolarHBondContact O-CG2 3.27Å; W242-V246 PolarHBondContact O-N 3.38Å |
| 247 | A | 74.3 | Confident | 68.9 | Low | 55 Ų | 55 | 119 Ų | 119 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -64.6 | 127.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q243 | Q243-A247 WeakPolarHBondContact O-CB 3.14Å; Q243-A247 PolarHBondContact O-N 2.94Å |
| 248 | P | 64.6 | Low | 66.7 | Low | 112 Ų | 112 | 124.1 Ų | 124.1 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 141.7 | 172.4 | -12 | 20.3 | 0 | 0 | 0 | 109.6 | A250 | P248-A250 PolarHBondContact O-N 3.39Å; P248-A250 VanDerWaalsContact O-N 3.09Å |
| 249 | P | 59.5 | Low | 64.6 | Low | 123 Ų | 123 | 128.8 Ų | 128.8 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 123.5 | 171.3 | -16.9 | 28.1 | 0 | 0 | 0 | 107.7 | E251 | P249-E251 PolarHBondContact O-N 3.49Š|
| 250 | A | 58.8 | Low | 62.2 | Low | 98 Ų | 98 | 134.8 Ų | 134.8 | 81% | 0.81 | 70% | 0.696 | S | S | * | * | trans | -55.7 | 112.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | P248 | P248-A250 PolarHBondContact O-N 3.39Å; P248-A250 VanDerWaalsContact O-N 3.09Å | ||
| 251 | E | 49.8 | Very low | 60.4 | Low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | -52.1 | 132 | 168.8 | -76 | -169.9 | 151.3 | 0 | 0 | 107.2 | P249 A253 | P249-E251 PolarHBondContact O-N 3.49Å; E251-A253 PolarHBondContact O-N 3.35Å | ||
| 252 | P | 48 | Very low | 58 | Low | 121 Ų | 121 | 148.2 Ų | 148.2 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | -55.4 | 118.2 | 177.1 | 21.3 | -30.2 | 0 | 0 | 0 | 107.3 | R254 | P252-R254 PolarHBondContact O-N 2.87Š| ||
| 253 | A | 49.1 | Very low | 55.4 | Low | 96 Ų | 96 | 153.3 Ų | 153.3 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | trans | -44.4 | 104 | -177.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | E251 Q255 | E251-A253 PolarHBondContact O-N 3.35Å; A253-Q255 VanDerWaalsContact C-N 3.33Å; A253-Q255 PolarHBondContact O-N 2.64Å | ||
| 254 | R | 48 | Very low | 52.9 | Low | 240 Ų | 240 | 158.3 Ų | 158.3 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -60.4 | 102.9 | 176.3 | -147.6 | 175.8 | -171.2 | -176.2 | 3.5 | 104.6 | P252 Q256 | P252-R254 PolarHBondContact O-N 2.87Å; R254-Q256 PolarHBondContact O-N 3.35Å | ||
| 255 | Q | 47 | Very low | 50.2 | Low | 185 Ų | 185 | 159.4 Ų | 159.4 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -49.5 | 115.7 | 175.4 | -77.8 | 176.9 | -0.5 | 0 | 0 | 106.9 | A253 | A253-Q255 VanDerWaalsContact C-N 3.33Å; A253-Q255 PolarHBondContact O-N 2.64Å | ||
| 256 | Q | 41.6 | Very low | 47.9 | Very low | 181 Ų | 181 | 157.8 Ų | 157.8 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -54 | 125.7 | 174.8 | -69 | -177.3 | 5 | 0 | 0 | 107.2 | R254 S258 | R254-Q256 PolarHBondContact O-N 3.35Å; Q256-S258 PolarHBondContact O-N 2.97Å | ||
| 257 | P | 39.6 | Very low | 45.3 | Very low | 120 Ų | 120 | 157.5 Ų | 157.5 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -63.5 | 109.9 | -178.5 | 22.6 | -29.9 | 0 | 0 | 0 | 108.4 | K259 | P257-K259 PolarHBondContact O-N 2.94Š| ||
| 258 | S | 41.6 | Very low | 43.2 | Very low | 111 Ų | 111 | 158.2 Ų | 158.2 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -41.4 | 113.5 | 166 | 160.8 | 0 | 0 | 0 | 0 | 108.8 | Q256 R260 | Q256-S258 PolarHBondContact O-N 2.97Å; S258-R260 PolarHBondContact O-N 3.07Å | ||
| 259 | K | 42.1 | Very low | 41.5 | Very low | 201 Ų | 201 | 158.1 Ų | 158.1 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -57.3 | 102.3 | 172.8 | -77.3 | -179.7 | 177.4 | 173.9 | 0 | 107.6 | P257 R261 | P257-K259 PolarHBondContact O-N 2.94Å; K259-R261 PolarHBondContact O-N 3.21Å | ||
| 260 | R | 40.3 | Very low | 40 | Very low | 240 Ų | 240 | 157.3 Ų | 157.3 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -55 | 96.3 | 173.1 | -167.5 | 174.6 | 88.5 | 177.6 | 6.8 | 109 | S258 K262 | S258-R260 PolarHBondContact O-N 3.07Å; R260-K262 PolarHBondContact O-N 2.9Å; R260-K262 VanDerWaalsContact O-N 3.09Å | ||
| 261 | R | 47.7 | Very low | 38.6 | Very low | 234 Ų | 234 | 160.6 Ų | 160.6 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -62.9 | 109.5 | 175.8 | -164.5 | 171.6 | 156.7 | -177.6 | -6.5 | 108.3 | K259 R263 | K259-R261 PolarHBondContact O-N 3.21Å; R261-R263 PolarHBondContact O-N 3.04Å | ||
| 262 | K | 36.6 | Very low | 37.7 | Very low | 190 Ų | 190 | 157 Ų | 157 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -54.8 | 110.8 | 178.9 | -172.7 | 170.9 | -179.2 | 173.6 | 0 | 109.9 | R260 K264 | R260-K262 PolarHBondContact O-N 2.9Å; R260-K262 VanDerWaalsContact O-N 3.09Å; K262-K264 PolarHBondContact O-N 3.32Å | ||
| 263 | R | 36.7 | Very low | 36.8 | Very low | 248 Ų | 248 | 156.6 Ų | 156.6 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 120.2 | 167.9 | -74.2 | -177.9 | -171.5 | 172.6 | 2.7 | 108.5 | R261 | R261-R263 PolarHBondContact O-N 3.04Š|
| 264 | K | 34.8 | Very low | 35.8 | Very low | 200 Ų | 200 | 156.1 Ų | 156.1 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 137.6 | 158.9 | -108.8 | -172.3 | 171.8 | -171.5 | 0 | 107.6 | K262 | K262-K264 PolarHBondContact O-N 3.32Š|
| 265 | M | 29 | Very low | 34.8 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 169.3 | 177.1 | -125.9 | -49.8 | -155.6 | 0 | 0 | 111.6 | ||
| 266 | S | 33.2 | Very low | 34 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 87.4 | 135.7 | 175.9 | 69.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 267 | G | 30.1 | Very low | 33.4 | Very low | 79 Ų | 79 | 141.7 Ų | 141.7 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | cis | 159.2 | 142.7 | 1.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 268 | G | 29.8 | Very low | 32.9 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 87.5 | 107.7 | 167 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 269 | S | 29.2 | Very low | 32.3 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | 70.2 | 125.6 | 98.2 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 270 | T | 26.9 | Very low | 31.7 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 64% | 0.644 | 81% | 0.807 | S | S | * | * | cis | 174.1 | 158.6 | 46.5 | 6.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 271 | M | 30.6 | Very low | 31.3 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | trans | 57 | 148.2 | 163.1 | 11.1 | -86.6 | -179.2 | 0 | 0 | 119.8 | ||||
| 272 | S | 29.9 | Very low | 30.5 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | cis | -172.8 | 160.4 | 4.8 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 273 | S | 29 | Very low | 30.4 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 57.4 | 119.3 | 153 | 71 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 274 | G | 27.8 | Very low | 30.3 | Very low | 85 Ų | 85 | 123.3 Ų | 123.3 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | 90.2 | 132.9 | 82.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 275 | G | 28.4 | Very low | 30.2 | Very low | 80 Ų | 80 | 122.4 Ų | 122.4 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | cis | 155 | 146.4 | 13 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 276 | G | 28.4 | Very low | 30.5 | Very low | 76 Ų | 76 | 123.1 Ų | 123.1 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | 87.3 | 105.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 277 | N | 28.8 | Very low | 30.6 | Very low | 148 Ų | 148 | 123 Ų | 123 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | 68.9 | 128.9 | 114.6 | -115.5 | 50.9 | 0 | 0 | 0 | 124.5 | |||||
| 278 | T | 29.6 | Very low | 31.1 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 64% | 0.644 | 78% | 0.778 | S | S | * | * | trans | 76.7 | 124.3 | 133.3 | 38.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 279 | N | 29.1 | Very low | 31.4 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | 63.4 | 120.2 | 128.9 | -76.2 | -0.4 | 0 | 0 | 0 | 122.5 | |||||
| 280 | N | 29.1 | Very low | 31.8 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | 128.7 | 147.2 | 110.4 | -155.5 | 19.7 | 0 | 0 | 0 | 116.3 | |||||
| 281 | S | 32.2 | Very low | 32.1 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | trans | 85.6 | 94.3 | 149.7 | 67.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 282 | N | 31.8 | Very low | 32.4 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | 35.7 | 110.1 | 107.5 | -157.9 | 23.7 | 0 | 0 | 0 | 118.7 | |||||
| 283 | S | 35 | Very low | 32.5 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -158.3 | 126 | 140 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 284 | K | 34.2 | Very low | 32.8 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 81% | 0.809 | 80% | 0.799 | S | S | * | * | trans | -56.9 | 141.2 | 168.5 | -64.8 | 167.9 | 168.3 | 167.6 | 0 | 111.8 | ||||
| 285 | K | 32.1 | Very low | 33.1 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | 146.4 | 136.9 | 119.5 | -85.3 | 179.7 | 178.1 | 173.1 | 0 | 113 | |||||
| 286 | K | 35.1 | Very low | 33.4 | Very low | 193 Ų | 193 | 133.7 Ų | 133.7 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | 82.1 | 113.7 | 147.5 | -72.9 | 173.7 | 175.1 | -168.9 | 0 | 119.1 | ||||
| 287 | S | 36.3 | Very low | 33.8 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -53.2 | 158 | 154.9 | -36.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 288 | P | 39.7 | Very low | 34.3 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | -139.5 | 158.9 | 109.5 | 31.7 | -15.6 | 0 | 0 | 0 | 114.2 | |||||
| 289 | A | 36 | Very low | 35 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -61.4 | 142.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 290 | S | 36.9 | Very low | 35.9 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | trans | -127.4 | 102.9 | 170.5 | 63.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 291 | T | 34.5 | Very low | 37 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -47 | 124.7 | 157.8 | -34.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 292 | F | 36.3 | Very low | 37.3 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 117.5 | 168.3 | -96.8 | -85.5 | 0 | 0 | 0 | 109.7 | ||
| 293 | A | 32.9 | Very low | 37.7 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 138.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 294 | L | 34 | Very low | 38.4 | Very low | 180 Ų | 180 | 141 Ų | 141 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 135.1 | 168.6 | -84.8 | 129.8 | 0 | 0 | 0 | 110.3 | ||
| 295 | S | 34.2 | Very low | 38.9 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -119.2 | 113.9 | 163.6 | 60 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 296 | S | 35.8 | Very low | 39.6 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 13.9 | 138.9 | 139 | -52.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 297 | Q | 35.9 | Very low | 40.5 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | cis | -173.6 | 138.4 | 24.3 | -112.5 | 158.7 | -9.3 | 0 | 0 | 105.5 | ||||
| 298 | D | 39.7 | Very low | 41.1 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -169.6 | 102.6 | 139.4 | -92.8 | -22.4 | 0 | 0 | 0 | 108 | ||||
| 299 | V | 43.2 | Very low | 41.4 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.715 | 81% | 0.813 | S | S | * | * | trans | -94.1 | 114.7 | -179.7 | 174.6 | 0 | 0 | 0 | 0 | 107 | V301 | V299-V301 HydrophobicContact CG1-CG2 3.78Š| ||
| 300 | M | 48.2 | Very low | 41.8 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 93% | 0.931 | 81% | 0.811 | S | S | * | * | trans | -120.9 | 102.7 | 159.3 | -71.9 | -68.7 | -75.1 | 0 | 0 | 107.1 | ||||
| 301 | V | 52.7 | Low | 41.9 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 70% | 0.703 | 82% | 0.823 | S | S | * | * | trans | -109.1 | 153.6 | 172.2 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | V299 | V299-V301 HydrophobicContact CG1-CG2 3.78Š| ||
| 302 | V | 38.8 | Very low | 42.3 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | 94 | 123.5 | 167.3 | -160.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 303 | G | 39.3 | Very low | 42.8 | Very low | 61 Ų | 61 | 135.8 Ų | 135.8 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | cis | -163.9 | 168.1 | 12.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 304 | E | 50 | Low | 43.5 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 134.3 | 170 | -58.6 | 178.8 | 160.2 | 0 | 0 | 110.4 | T306 | E304-T306 PolarHBondContact O-N 3.38Š|
| 305 | P | 45.8 | Very low | 44.4 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 118.5 | 158.4 | -9.4 | 26.6 | 0 | 0 | 0 | 108.5 | L307 | P305-L307 PolarHBondContact O-N 3.15Š|
| 306 | T | 46.3 | Very low | 45.4 | Very low | 122 Ų | 122 | 138 Ų | 138 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 128.4 | 175 | -46 | 0 | 0 | 0 | 0 | 112.9 | E304 M308 | E304-T306 PolarHBondContact O-N 3.38Å; T306-M308 PolarHBondContact O-N 2.97Å; T306-M308 VanDerWaalsContact O-N 3.09Å |
| 307 | L | 54.8 | Low | 46.3 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -54 | 91.4 | 153.3 | -176.5 | 83.9 | 0 | 0 | 0 | 110.4 | P305 | P305-L307 PolarHBondContact O-N 3.15Š| ||
| 308 | M | 48 | Very low | 47.4 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -168 | 124.4 | 157.1 | -137 | 162.8 | 86.3 | 0 | 0 | 111.8 | T306 | T306-M308 PolarHBondContact O-N 2.97Å; T306-M308 VanDerWaalsContact O-N 3.09Å | ||
| 309 | G | 46.8 | Very low | 48 | Very low | 85 Ų | 85 | 141.1 Ų | 141.1 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | 131.8 | 72.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 310 | G | 44.1 | Very low | 48.6 | Very low | 74 Ų | 74 | 143.1 Ų | 143.1 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | -179.8 | 83.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 311 | E | 39.3 | Very low | 49 | Very low | 197 Ų | 197 | 139.9 Ų | 139.9 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -53 | 138 | 179.5 | -74.1 | 172.8 | 138.7 | 0 | 0 | 111.6 | G313 | E311-G313 PolarHBondContact O-N 2.99Š| ||
| 312 | F | 42.7 | Very low | 49.3 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -55 | 102.8 | 164.5 | -130.9 | -106.3 | 0 | 0 | 0 | 108.3 | D314 | F312-D314 WeakPolarHBondContact CD1-OD1 3.2Å; F312-D314 VanDerWaalsContact CE1-OD1 3.29Å; F312-D314 WeakPolarHBondContact CE1-OD1 3.45Å | ||
| 313 | G | 45.7 | Very low | 50.1 | Low | 66 Ų | 66 | 146 Ų | 146 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | -96.2 | 97 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | E311 E315 | E311-G313 PolarHBondContact O-N 2.99Å; G313-E315 PolarHBondContact O-N 3.17Å | ||
| 314 | D | 48.6 | Very low | 50.8 | Low | 120 Ų | 120 | 151 Ų | 151 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | trans | -63.7 | 57.4 | 172.1 | -71.4 | -43.4 | 0 | 0 | 0 | 112.4 | F312 | F312-D314 WeakPolarHBondContact CD1-OD1 3.2Å; F312-D314 VanDerWaalsContact CE1-OD1 3.29Å; F312-D314 WeakPolarHBondContact CE1-OD1 3.45Å | ||
| 315 | E | 52.9 | Low | 50.6 | Low | 182 Ų | 182 | 149.3 Ų | 149.3 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -136.6 | 25.4 | -175.2 | -72.3 | -155.4 | 155.8 | 0 | 0 | 115.9 | G313 | G313-E315 PolarHBondContact O-N 3.17Š| ||
| 316 | D | 55.2 | Low | 50.8 | Low | 128 Ų | 128 | 149.2 Ų | 149.2 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | trans | -133.7 | 41.5 | 163 | -118.9 | -15.4 | 0 | 0 | 0 | 112.3 | R318 | D316-R318 PolarHBondContact O-N 3.16Å; D316-R318 IonicContact OD1-NE 3.9Å; D316-R318 PolarHBondContact OD1-NE 3.03Å | ||
| 317 | E | 55.2 | Low | 50.8 | Low | 156 Ų | 156 | 152.3 Ų | 152.3 | 73% | 0.729 | 80% | 0.799 | S | S | * | * | trans | -67.7 | 69.3 | 155.9 | -67 | -165.7 | 172.6 | 0 | 0 | 110 | L319 | E317-L319 PolarHBondContact O-N 3.19Š| ||
| 318 | R | 58.7 | Low | 50.4 | Low | 210 Ų | 210 | 153.4 Ų | 153.4 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -71.5 | 83.8 | 159.2 | -69.4 | -179.7 | -176 | -114.9 | -0.5 | 107.3 | D316 I320 | D316-R318 PolarHBondContact O-N 3.16Å; D316-R318 IonicContact OD1-NE 3.9Å; D316-R318 PolarHBondContact OD1-NE 3.03Å; R318-I320 PolarHBondContact O-N 3.09Å | ||
| 319 | L | 52.1 | Low | 50.1 | Low | 143 Ų | 143 | 151.3 Ų | 151.3 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -43.8 | 98.3 | 167.9 | -73.5 | 141.6 | 0 | 0 | 0 | 109.2 | E317 T321 | E317-L319 PolarHBondContact O-N 3.19Å; L319-T321 VanDerWaalsContact C-N 3.3Å; L319-T321 PolarHBondContact O-N 2.83Å | ||
| 320 | I | 55.7 | Low | 50.3 | Low | 159 Ų | 159 | 151.5 Ų | 151.5 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -65.2 | 100.5 | 162.6 | -66.3 | 173.2 | 0 | 0 | 0 | 105.1 | R318 R322 | R318-I320 PolarHBondContact O-N 3.09Å; I320-R322 PolarHBondContact O-N 2.84Å | ||
| 321 | T | 56.3 | Low | 50.3 | Low | 122 Ų | 122 | 151.1 Ų | 151.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -62.8 | 107.8 | 174.1 | -19.3 | 0 | 0 | 0 | 0 | 107 | L319 L323 | L319-T321 VanDerWaalsContact C-N 3.3Å; L319-T321 PolarHBondContact O-N 2.83Å; T321-L323 PolarHBondContact O-N 3.03Å | ||
| 322 | R | 58.5 | Low | 50.1 | Low | 230 Ų | 230 | 149.9 Ų | 149.9 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -63.9 | 107.5 | 167.9 | -72.2 | 173.9 | 83 | 170.1 | 2.9 | 106.2 | I320 E324 | I320-R322 PolarHBondContact O-N 2.84Å; R322-E324 PolarHBondContact O-N 2.9Å | ||
| 323 | L | 55.8 | Low | 49.5 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -62.9 | 105.4 | 161.5 | -109.5 | 92.3 | 0 | 0 | 0 | 106.8 | T321 | T321-L323 PolarHBondContact O-N 3.03Š| ||
| 324 | E | 54.1 | Low | 49.1 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -70.1 | 123.9 | 161.6 | 67.7 | -167 | -174.9 | 0 | 0 | 107.7 | R322 T326 | R322-E324 PolarHBondContact O-N 2.9Å; E324-T326 PolarHBondContact O-N 3.07Å; E324-T326 VanDerWaalsContact O-N 3.16Å | ||
| 325 | N | 47 | Very low | 48.6 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -67.7 | 112.4 | 162.6 | -77.1 | -22.6 | 0 | 0 | 0 | 105.7 | Q327 | N325-Q327 PolarHBondContact O-N 2.91Š| ||
| 326 | T | 49.3 | Very low | 47.8 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -49.9 | 111.1 | 168.8 | 43.3 | 0 | 0 | 0 | 0 | 108.4 | E324 F328 | E324-T326 PolarHBondContact O-N 3.07Å; E324-T326 VanDerWaalsContact O-N 3.16Å; T326-F328 PolarHBondContact O-N 2.6Å | ||
| 327 | Q | 47 | Very low | 46.9 | Very low | 187 Ų | 187 | 150.4 Ų | 150.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -55.1 | 125.5 | 160.1 | -90.9 | 173.8 | -29.5 | 0 | 0 | 107 | N325 D329 | N325-Q327 PolarHBondContact O-N 2.91Å; Q327-D329 PolarHBondContact O-N 3.49Å | ||
| 328 | F | 46.2 | Very low | 45.9 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -60.2 | 109.2 | 167.8 | -175.1 | -97.4 | 0 | 0 | 0 | 107.7 | T326 A330 | T326-F328 PolarHBondContact O-N 2.6Å; F328-A330 HydrophobicContact CD1-CB 4.44Å; F328-A330 HydrophobicContact CE1-CB 4.45Å; F328-A330 PolarHBondContact O-N 3.47Å | ||
| 329 | D | 40.9 | Very low | 44.7 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -79.9 | 106.3 | 178.2 | -164.8 | -1.2 | 0 | 0 | 0 | 108.7 | Q327 A331 | Q327-D329 PolarHBondContact O-N 3.49Å; D329-A331 VanDerWaalsContact C-N 3.33Å; D329-A331 PolarHBondContact O-N 3.09Å | ||
| 330 | A | 50.9 | Low | 43.9 | Very low | 88 Ų | 88 | 146.7 Ų | 146.7 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -94 | 61.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | F328 | F328-A330 HydrophobicContact CD1-CB 4.44Å; F328-A330 HydrophobicContact CE1-CB 4.45Å; F328-A330 PolarHBondContact O-N 3.47Å | ||
| 331 | A | 44.4 | Very low | 43 | Very low | 66 Ų | 66 | 145.6 Ų | 145.6 | 55% | 0.545 | 78% | 0.779 | S | S | . | * | trans | -163.2 | 83.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D329 | D329-A331 VanDerWaalsContact C-N 3.33Å; D329-A331 PolarHBondContact O-N 3.09Å | ||
| 332 | N | 34.7 | Very low | 41.9 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | -166.3 | 108.6 | 126.3 | -109.3 | -10.8 | 0 | 0 | 0 | 113.1 | |||||
| 333 | G | 31.1 | Very low | 40.9 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 77.9 | 137.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 334 | I | 36.7 | Very low | 40.2 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | cis | -167.2 | 150.6 | 1.2 | -115.2 | 153.6 | 0 | 0 | 0 | 103.6 | ||||
| 335 | D | 38.3 | Very low | 39.4 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 18.5 | 124.9 | 162.2 | -67.7 | -26.5 | 0 | 0 | 0 | 119.3 | ||||
| 336 | D | 35.9 | Very low | 38.8 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | -170.7 | 146 | 101 | -100.4 | -41.4 | 0 | 0 | 0 | 112 | |||||
| 337 | E | 36.3 | Very low | 37.8 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -65.8 | 158.2 | -178 | -63.2 | -158 | 143.9 | 0 | 0 | 114 | ||||
| 338 | D | 34.5 | Very low | 37.2 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 34.7 | 139.1 | 142.3 | -75.4 | -34.9 | 0 | 0 | 0 | 121.8 | ||||
| 339 | S | 34 | Very low | 36.4 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | 103.7 | 114.4 | 143.6 | -61 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 340 | F | 34.9 | Very low | 36 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | 49.5 | 128.3 | 128.5 | -84.3 | -91.8 | 0 | 0 | 0 | 120.5 | |||||
| 341 | N | 36.8 | Very low | 35.1 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | 78.4 | 136.5 | 147.1 | -92.8 | -2.6 | 0 | 0 | 0 | 119.6 | ||||
| 342 | N | 32.6 | Very low | 34.7 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 90 | 108.7 | 160.9 | -61.1 | -36.5 | 0 | 0 | 0 | 117.8 | ||||
| 343 | S | 36.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -55.6 | 154.5 | 144.5 | -50.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 344 | P | 42.3 | Very low | 34.7 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | -144.6 | 176.7 | 103.6 | 31.2 | -11.6 | 0 | 0 | 0 | 114.9 | |||||
| 345 | A | 35.9 | Very low | 34.7 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -63.2 | -177.4 | -166.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 346 | L | 34.4 | Very low | 34.7 | Very low | 179 Ų | 179 | 140 Ų | 140 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | trans | 98.8 | 130 | 169.6 | -54.4 | 168.7 | 0 | 0 | 0 | 113.1 | ||||
| 347 | G | 29.7 | Very low | 35 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | cis | -177.3 | 162.4 | 10.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 348 | A | 33.1 | Very low | 34.9 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -62.6 | 141.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 349 | N | 30.7 | Very low | 34.9 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -165.6 | 109.4 | 141.7 | -106 | -10.1 | 0 | 0 | 0 | 110.8 | ||||
| 350 | S | 32.9 | Very low | 34.9 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -146.4 | 140.4 | 156.8 | -83.1 | 0 | 0 | 0 | 0 | 110.3 | W352 | S350-W352 PolarHBondContact O-N 3.4Š| ||
| 351 | P | 31.9 | Very low | 34.7 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -102.7 | 51 | -150.3 | 39.2 | -32.1 | 0 | 0 | 0 | 112.9 | ||
| 352 | W | 34.7 | Very low | 34.6 | Very low | 240 Ų | 240 | 135.6 Ų | 135.6 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -137.9 | 78.2 | 176 | -83.5 | 74.4 | 0 | 0 | 0 | 109.9 | S350 | S350-W352 PolarHBondContact O-N 3.4Š| ||
| 353 | N | 31.6 | Very low | 34.6 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | trans | -148.2 | 97.4 | 164.6 | -148.2 | 5.8 | 0 | 0 | 0 | 110.4 | ||||
| 354 | S | 34 | Very low | 34.4 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -95.5 | 105.4 | 171.1 | 38.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 355 | K | 37.5 | Very low | 33.9 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -94 | 145.7 | 164.9 | -82.3 | -175 | 175.5 | 179.5 | 0 | 110.5 | ||
| 356 | P | 38.3 | Very low | 33.8 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 162 | 154.8 | 34 | -27.7 | 0 | 0 | 0 | 111.3 | ||
| 357 | P | 43 | Very low | 34.3 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 149 | -157.1 | 34.7 | -33.1 | 0 | 0 | 0 | 116.7 | ||
| 358 | S | 33.8 | Very low | 34.7 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -8 | 147.8 | 161.8 | 60.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 359 | S | 33.4 | Very low | 34.9 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -151.7 | 122.2 | 131.2 | 15.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 360 | Q | 34.2 | Very low | 35.2 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 46 | 111.3 | 141.2 | -73 | 173.4 | -45.9 | 0 | 0 | 120.5 | ||||
| 361 | E | 32.1 | Very low | 35.5 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | 73.9 | 107.8 | 89.9 | -95.9 | -173.1 | 144 | 0 | 0 | 114.4 | |||||
| 362 | S | 33.4 | Very low | 35.9 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | 173.5 | 117.9 | 113.4 | 32.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 363 | K | 32.7 | Very low | 36.1 | Very low | 197 Ų | 197 | 142.9 Ų | 142.9 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -5.9 | 142.6 | 133.7 | -114.6 | 175.4 | 178.4 | 179.1 | 0 | 115.1 | ||||
| 364 | S | 32.6 | Very low | 36.3 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 61% | 0.608 | 81% | 0.813 | S | S | * | * | cis | -173.7 | 161.5 | 38.1 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 365 | E | 32 | Very low | 36.4 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | 73.2 | 109.5 | 142.9 | -75.9 | 170.3 | -173 | 0 | 0 | 122 | ||||
| 366 | N | 34.5 | Very low | 36.4 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -67.6 | 163 | 145.6 | -130.3 | 1.2 | 0 | 0 | 0 | 108.7 | ||||
| 367 | P | 45 | Very low | 36.3 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | cis | -152.6 | 167.8 | 48.3 | 40.7 | -18.6 | 0 | 0 | 0 | 118.3 | ||||
| 368 | T | 37.4 | Very low | 35.9 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | 41.2 | 124.3 | 146.1 | 48.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 369 | S | 37.7 | Very low | 36 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -167.2 | 107.2 | 138.9 | -73.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 370 | Q | 36.7 | Very low | 36.2 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | 78.9 | 126.1 | 100.2 | -101.7 | -174 | -5.2 | 0 | 0 | 115.2 | |||||
| 371 | A | 39.7 | Very low | 36.3 | Very low | 91 Ų | 91 | 147.5 Ų | 147.5 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | -55.7 | 147.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 372 | S | 40.1 | Very low | 36.7 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | trans | -173.7 | 138.8 | 130.9 | -84.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 373 | Q | 38.5 | Very low | 37 | Very low | 270 Ų | 270 | 148 Ų | 148 | 100% | 1.262 | 83% | 0.825 | S | S | * | * | trans | 78.8 | 0 | 165.6 | -66.2 | -176.2 | 16.6 | 0 | 0 | 118.9 |
Retrieved 373 of 373 residues in 168.1 ms
(Link to these results)