| 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 | 48.5 | Very low | 63.8 | Low | 244 Ų | 244 | 158.3 Ų | 158.3 | 100% | 1.202 | 88% | 0.879 | S | S | * | * | 0 | 90.4 | 0 | -78.3 | 168.9 | 153.6 | 0 | 0 | 109.4 | |||||
| 2 | V | 59.8 | Low | 63.8 | Low | 153 Ų | 153 | 156.2 Ų | 156.2 | 93% | 0.927 | 87% | 0.873 | S | S | * | * | trans | -151.8 | 109.8 | 158.8 | -175.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3 | A | 65.7 | Low | 63.6 | Low | 101 Ų | 101 | 153.2 Ų | 153.2 | 84% | 0.835 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 130.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 4 | A | 73.5 | Confident | 63 | Low | 91 Ų | 91 | 156.7 Ų | 156.7 | 75% | 0.752 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 146.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 5 | P | 72.4 | Confident | 62.1 | Low | 126 Ų | 126 | 160.7 Ų | 160.7 | 82% | 0.818 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 128.9 | 178.4 | 31.6 | -31.1 | 0 | 0 | 0 | 111.8 | ||
| 6 | K | 71.6 | Confident | 61.3 | Low | 203 Ų | 203 | 157.8 Ų | 157.8 | 88% | 0.883 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 122.4 | 174.7 | -77.7 | 178.7 | 174.1 | 177.9 | 0 | 111.3 | K8 | K6-K8 PolarHBondContact O-N 3.45Š|
| 7 | V | 69.4 | Low | 60.7 | Low | 140 Ų | 140 | 158.9 Ų | 158.9 | 85% | 0.848 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 119.4 | 169.4 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 8 | K | 63.6 | Low | 59.8 | Low | 193 Ų | 193 | 159.4 Ų | 159.4 | 84% | 0.839 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 122.2 | 173.4 | -76.1 | -179 | 177.7 | 176.4 | 0 | 109.9 | K6 | K6-K8 PolarHBondContact O-N 3.45Š|
| 9 | K | 59.8 | Low | 58.7 | Low | 203 Ų | 203 | 160 Ų | 160 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 129.3 | 174.2 | -64 | 178.8 | 178 | 179.7 | 0 | 110.1 | A11 | K9-A11 PolarHBondContact O-N 3.38Š|
| 10 | H | 52.9 | Low | 58 | Low | 191 Ų | 191 | 159.3 Ų | 159.3 | 88% | 0.884 | 84% | 0.84 | S | S | * | * | trans | -73.1 | 114.3 | 167.5 | -81.2 | -76.6 | 0 | 0 | 0 | 109.9 | ||||
| 11 | A | 64.8 | Low | 57.2 | Low | 96 Ų | 96 | 157.8 Ų | 157.8 | 79% | 0.793 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 123.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | K9 | K9-A11 PolarHBondContact O-N 3.38Š|
| 12 | V | 63.7 | Low | 56.9 | Low | 133 Ų | 133 | 149.4 Ų | 149.4 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 127.3 | 174.4 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | K14 | V12-K14 PolarHBondContact O-N 3.3Š|
| 13 | P | 60.9 | Low | 55.7 | Low | 118 Ų | 118 | 152 Ų | 152 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 117.5 | -178.5 | 28.3 | -31.4 | 0 | 0 | 0 | 110.9 | R15 | P13-R15 PolarHBondContact O-N 3.14Š|
| 14 | K | 55.2 | Low | 54.8 | Low | 202 Ų | 202 | 152.9 Ų | 152.9 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | trans | -64.5 | 109.5 | 165.6 | -75.9 | -178.5 | 177.7 | 176.9 | 0 | 108.9 | V12 S16 | V12-K14 PolarHBondContact O-N 3.3Å; K14-S16 PolarHBondContact O-N 3.18Å; K14-S16 VanDerWaalsContact O-N 3.14Å | ||
| 15 | R | 49.2 | Very low | 53.7 | Low | 217 Ų | 217 | 154.4 Ų | 154.4 | 82% | 0.819 | 81% | 0.813 | S | S | * | * | trans | -81 | 85.4 | 177.5 | -177.7 | 171.2 | 159.3 | 176.3 | -6.1 | 110.5 | P13 | P13-R15 PolarHBondContact O-N 3.14Š| ||
| 16 | S | 50.1 | Low | 52.9 | Low | 113 Ų | 113 | 157.5 Ų | 157.5 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -87.7 | 100.3 | 160.5 | 45.4 | 0 | 0 | 0 | 0 | 109.2 | K14 | K14-S16 PolarHBondContact O-N 3.18Å; K14-S16 VanDerWaalsContact O-N 3.14Å | ||
| 17 | K | 51 | Low | 52.3 | Low | 177 Ų | 177 | 157.2 Ų | 157.2 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -100.1 | 97.2 | 168.7 | -102.6 | -174.3 | 178.1 | -178.1 | 0 | 110 | ||||
| 18 | K | 43.7 | Very low | 52 | Low | 168 Ų | 168 | 160.2 Ų | 160.2 | 73% | 0.73 | 81% | 0.814 | S | S | * | * | trans | 34.6 | 111 | 132.4 | -142.3 | 178.7 | -164.4 | -144.8 | 0 | 117.9 | E20 | K18-E20 WeakPolarHBondContact CE-OE2 3.12Å; K18-E20 IonicContact NZ-OE2 3.14Å; K18-E20 PolarHBondContact NZ-OE2 2.68Å | ||
| 19 | L | 39.3 | Very low | 52.2 | Low | 171 Ų | 171 | 160.1 Ų | 160.1 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -61 | 124.2 | 151.5 | -73 | 141.9 | 0 | 0 | 0 | 109.1 | ||||
| 20 | E | 45.9 | Very low | 52.8 | Low | 145 Ų | 145 | 158 Ų | 158 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | -168.6 | 125.6 | 154.6 | -110.1 | 170.6 | 139.9 | 0 | 0 | 111.9 | K18 | K18-E20 WeakPolarHBondContact CE-OE2 3.12Å; K18-E20 IonicContact NZ-OE2 3.14Å; K18-E20 PolarHBondContact NZ-OE2 2.68Å | ||
| 21 | S | 40.8 | Very low | 54.3 | Low | 128 Ų | 128 | 156.5 Ų | 156.5 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 76.7 | 121 | 154.7 | 71.5 | 0 | 0 | 0 | 0 | 121 | ||
| 22 | G | 41.1 | Very low | 55.5 | Low | 69 Ų | 69 | 155.7 Ų | 155.7 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 110 | 39.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119 | T24 | G22-T24 PolarHBondContact O-N 3.23Š| ||
| 23 | K | 36.1 | Very low | 57 | Low | 208 Ų | 208 | 151.6 Ų | 151.6 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | trans | -75.9 | 66.5 | 177.1 | -148.3 | 172.6 | -169.8 | 178 | 0 | 112.1 | ||||
| 24 | T | 46.7 | Very low | 58.6 | Low | 118 Ų | 118 | 152 Ų | 152 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | -90.8 | 104.4 | 157.7 | 48.6 | 0 | 0 | 0 | 0 | 107.6 | G22 K26 | G22-T24 PolarHBondContact O-N 3.23Å; T24-K26 VanDerWaalsContact C-N 3.27Å; T24-K26 PolarHBondContact O-N 2.94Å | ||
| 25 | T | 49.5 | Very low | 60.6 | Low | 123 Ų | 123 | 143.8 Ų | 143.8 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | -63.8 | 87.2 | 173.8 | 44.4 | 0 | 0 | 0 | 0 | 109.5 | K27 | T25-K27 VanDerWaalsContact C-N 3.26Å; T25-K27 PolarHBondContact O-N 3.35Å | ||
| 26 | K | 55.8 | Low | 62.9 | Low | 191 Ų | 191 | 135.6 Ų | 135.6 | 83% | 0.83 | 68% | 0.682 | S | S | * | * | trans | -60.8 | 94.4 | 161.5 | -76.7 | -177.5 | 179.7 | 175.6 | 0 | 106.6 | T24 K28 | T24-K26 VanDerWaalsContact C-N 3.27Å; T24-K26 PolarHBondContact O-N 2.94Å; K26-K28 PolarHBondContact O-N 3.36Å | ||
| 27 | K | 59.3 | Low | 65.1 | Low | 198 Ų | 198 | 130.5 Ų | 130.5 | 86% | 0.861 | 65% | 0.646 | S | S | * | * | trans | -46.7 | 108.9 | 169.2 | -90.3 | 179.9 | 175.6 | 171.7 | 0 | 106.9 | T25 K29 | T25-K27 VanDerWaalsContact C-N 3.26Å; T25-K27 PolarHBondContact O-N 3.35Å; K27-K29 PolarHBondContact O-N 3.24Å | ||
| 28 | K | 63 | Low | 67.3 | Low | 202 Ų | 202 | 124.4 Ų | 124.4 | 88% | 0.878 | 62% | 0.62 | S | S | * | * | trans | -53.4 | 113.9 | 176.3 | -160.2 | 174.1 | -176 | 178 | 0 | 106.1 | K26 K30 | K26-K28 PolarHBondContact O-N 3.36Å; K28-K30 PolarHBondContact O-N 3.33Å | ||
| 29 | K | 67.4 | Low | 69.7 | Low | 192 Ų | 192 | 116.5 Ų | 116.5 | 84% | 0.835 | 59% | 0.586 | S | S | * | * | trans | -51.6 | 119.9 | -178.8 | -75.7 | -175.9 | 177.9 | -178.8 | 0 | 107.3 | K27 Q31 | K27-K29 PolarHBondContact O-N 3.24Å; K29-Q31 PolarHBondContact O-N 3.37Å | ||
| 30 | K | 71.9 | Confident | 72.3 | Confident | 158 Ų | 158 | 113.5 Ų | 113.5 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | trans | -55.7 | 116.2 | 172.4 | -73.7 | -178.9 | 165.4 | -166 | 0 | 107 | K28 T32 E89 | K28-K30 PolarHBondContact O-N 3.33Å; K30-T32 PolarHBondContact O-N 2.83Å; K30-E89 IonicContact NZ-OE2 3.7Å; K30-E89 PolarHBondContact NZ-OE2 3.02Å | ||
| 31 | Q | 84.6 | Confident | 74.5 | Confident | 160 Ų | 160 | 109.7 Ų | 109.7 | 75% | 0.748 | 55% | 0.55 | S | S | * | . | trans | -79.8 | 110.5 | 177.7 | -73.7 | -178.5 | -22.6 | 0 | 0 | 107.9 | K29 | K29-Q31 PolarHBondContact O-N 3.37Š| ||
| 32 | T | 91 | Very high | 77 | Confident | 79 Ų | 79 | 103.6 Ų | 103.6 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | trans | -82.1 | 121.6 | 170.9 | -54.5 | 0 | 0 | 0 | 0 | 108.7 | K30 T87 | K30-T32 PolarHBondContact O-N 2.83Å; T32-T87 HydrophobicContact CG2-CG2 3.4Å | ||
| 33 | I | 93.9 | Very high | 79.6 | Confident | 46 Ų | 46 | 101.9 Ų | 101.9 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 134.5 | 176.9 | -56.1 | 167.5 | 0 | 0 | 0 | 107.6 | Y35 T87 S88 | I33-Y35 HydrophobicContact CG2-CD1 4.49Å; I33-Y35 HydrophobicContact CG2-CD2 4.14Å; I33-Y35 HydrophobicContact CG2-CE1 3.88Å; I33-Y35 HydrophobicContact CG2-CE2 3.51Å; I33-T87 WeakPolarHBondContact O-CA 3.47Å; I33-S88 PolarHBondContact N-O 3.3Å; I33-S88 PolarHBondContact O-N 3.19Å |
| 34 | K | 95.7 | Very high | 82.3 | Confident | 128 Ų | 128 | 97.8 Ų | 97.8 | 56% | 0.557 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.5 | 177.3 | -66.2 | -171.9 | 176.9 | -171.7 | 0 | 109.8 | L86 T87 | K34-L86 CarbonylContact C-O 3.51Å; K34-L86 WeakPolarHBondContact CA-O 3.26Å; K34-T87 HydrophobicContact CG-CG2 4.15Å |
| 35 | Y | 97.1 | Very high | 84.5 | Confident | 28 Ų | 28 | 96.8 Ų | 96.8 | 11% | 0.11 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 143.4 | 174.8 | -65.2 | -50.9 | 0 | 0 | 0 | 110.9 | I33 L86 F92 K94 L97 D122 | I33-Y35 HydrophobicContact CG2-CD1 4.49Å; I33-Y35 HydrophobicContact CG2-CD2 4.14Å; I33-Y35 HydrophobicContact CG2-CE1 3.88Å; I33-Y35 HydrophobicContact CG2-CE2 3.51Å; Y35-L86 HydrophobicContact CD2-CD2 4.48Å; Y35-L86 PolarHBondContact N-O 2.95Å; Y35-L86 PolarHBondContact O-N 2.8Å; Y35-F92 AromaticContact CD2-CD1 3.89Å; Y35-F92 HydrophobicContact CD2-CD1 3.89Å; Y35-F92 HydrophobicContact CD2-CE1 4.36Å; Y35-F92 AromaticContact CE2-CD1 3.88Å; Y35-F92 HydrophobicContact CE2-CD1 3.88Å; Y35-F92 WeakPolarHBondContact CE2-O 3.35Å; Y35-F92 PolarHBondContact OH-O 2.88Å; Y35-K94 HydrophobicContact CD1-CB 4Å; Y35-K94 HydrophobicContact CD1-CD 4.29Å; Y35-K94 HydrophobicContact CD1-CG 4.18Å; Y35-K94 HydrophobicContact CE1-CB 3.62Å; Y35-K94 HydrophobicContact CE1-CD 4.33Å; Y35-K94 HydrophobicContact CE1-CG 4.24Å; Y35-K94 HydrophobicContact CE2-CB 4.15Å; Y35-K94 HydrophobicContact CG-CB 4.44Å; Y35-K94 PolarHBondContact OH-N 2.92Å; Y35-L97 VanDerWaalsContact CB-CD1 3.48Å; Y35-L97 HydrophobicContact CD2-CD1 4Å; Y35-L97 HydrophobicContact CG-CD1 4.04Å; Y35-D122 WeakPolarHBondContact CA-O 3.41Å; Y35-D122 HydrophobicContact CD1-CB 4.09Å; Y35-D122 HydrophobicContact CE1-CB 4.48Å |
| 36 | N | 96.8 | Very high | 86.6 | Confident | 46 Ų | 46 | 93.9 Ų | 93.9 | 25% | 0.246 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.3 | 179.8 | -56.9 | -66.6 | 0 | 0 | 0 | 110.5 | D122 T123 Y124 | N36-D122 PolarHBondContact N-O 3.22Å; N36-T123 HydrophobicContact CB-CG2 4.02Å; N36-T123 CarbonylContact O-C 3.57Å; N36-T123 WeakPolarHBondContact O-CA 3.19Å; N36-Y124 PolarHBondContact O-N 2.71Å |
| 37 | L | 97.1 | Very high | 88.3 | Confident | 6 Ų | 6 | 88.3 Ų | 88.3 | 3% | 0.031 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 108.1 | 171 | -63.3 | 178.7 | 0 | 0 | 0 | 108.5 | F53 L57 K83 I84 L97 T101 Y124 | L37-F53 HydrophobicContact CD1-CE1 3.78Å; L37-F53 HydrophobicContact CD1-CZ 3.88Å; L37-L57 HydrophobicContact CD1-CD1 4.09Å; L37-K83 CarbonylContact O-C 3.58Å; L37-K83 VanDerWaalsContact O-CA 3.29Å; L37-K83 WeakPolarHBondContact O-CA 3.24Å; L37-I84 HydrophobicContact CB-CB 4.28Å; L37-I84 PolarHBondContact N-O 2.86Å; L37-I84 PolarHBondContact O-N 3.36Å; L37-L97 HydrophobicContact CD1-CD2 4.19Å; L37-L97 HydrophobicContact CD2-CB 4.25Å; L37-L97 HydrophobicContact CD2-CD1 4.47Å; L37-L97 HydrophobicContact CG-CD1 4.49Å; L37-T101 HydrophobicContact CD1-CG2 3.72Å; L37-T101 HydrophobicContact CD2-CG2 4Å; L37-T101 HydrophobicContact CG-CG2 4.48Å; L37-Y124 HydrophobicContact CD2-CD2 3.86Å; L37-Y124 HydrophobicContact CD2-CG 4.28Å |
| 38 | E | 96.3 | Very high | 89.9 | Confident | 49 Ų | 49 | 79.3 Ų | 79.3 | 23% | 0.229 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.4 | 177.4 | -61.4 | -169.3 | 158.8 | 0 | 0 | 109.8 | K83 T123 Y124 E125 L126 | E38-K83 HydrophobicContact CG-CD 4.01Å; E38-K83 HydrophobicContact CG-CG 4.2Å; E38-K83 WeakPolarHBondContact OE1-CE 3.42Å; E38-K83 IonicContact OE1-NZ 3.68Å; E38-K83 PolarHBondContact OE1-NZ 3.09Å; E38-T123 HydrophobicContact CG-CG2 3.75Å; E38-Y124 PolarHBondContact N-O 2.93Å; E38-E125 HydrophobicContact CB-CB 4.47Å; E38-E125 HydrophobicContact CB-CG 4.29Å; E38-E125 WeakPolarHBondContact O-CA 3.25Å; E38-L126 PolarHBondContact O-N 2.78Å |
| 39 | C | 95.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.014 | 37% | 0.373 | C | S | . | . | trans | -119.3 | 27.3 | -176.8 | -52.9 | 0 | 0 | 0 | 0 | 110.7 | N41 P42 V43 M48 T82 L126 | C39-N41 PolarHBondContact O-N 2.97Å; C39-P42 HydrophobicContact CB-CG 4.37Å; C39-P42 VanDerWaalsContact O-CD 3.29Å; C39-P42 WeakPolarHBondContact O-CD 3.5Å; C39-P42 WeakPolarHBondContact O-CG 3.49Å; C39-V43 HydrophobicContact CB-CG2 3.89Å; C39-V43 VanDerWaalsContact O-CB 3.29Å; C39-V43 WeakPolarHBondContact O-CB 3.48Å; C39-V43 WeakPolarHBondContact O-CG2 3.49Å; C39-V43 PolarHBondContact O-N 3.12Å; C39-M48 HydrophobicContact CB-SD 4.3Å; C39-T82 CarbonylContact C-O 3.56Å; C39-T82 PolarHBondContact N-O 3.34Å; C39-L126 HydrophobicContact CB-CD1 4.06Å | ||
| 40 | K | 93.6 | Very high | 92.7 | Very high | 108 Ų | 108 | 65.2 Ų | 65.2 | 47% | 0.47 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -53.4 | -61 | -171.2 | -172.8 | -175.2 | 176.1 | -169.6 | 0 | 112.5 | V43 E44 | K40-V43 PolarHBondContact O-N 3.03Å; K40-E44 VanDerWaalsContact CE-CD 3.43Å; K40-E44 WeakPolarHBondContact CE-OE1 3.46Å; K40-E44 VanDerWaalsContact CE-OE2 3.29Å; K40-E44 WeakPolarHBondContact CE-OE2 3.16Å; K40-E44 HydrophobicContact CG-CG 4.35Å; K40-E44 VanDerWaalsContact CG-OE1 3.25Å; K40-E44 WeakPolarHBondContact CG-OE1 3.36Å; K40-E44 WeakPolarHBondContact O-CG 3.19Å; K40-E44 PolarHBondContact O-N 3.35Å |
| 41 | N | 91.5 | Very high | 93.8 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 34% | 0.342 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55 | -55.8 | -175.6 | -54.9 | 53 | 0 | 0 | 0 | 113 | C39 V43 E44 D45 Y128 | C39-N41 PolarHBondContact O-N 2.97Å; N41-V43 PolarHBondContact O-N 3.35Å; N41-E44 PolarHBondContact O-N 2.87Å; N41-D45 VanDerWaalsContact O-CG 3.28Å; N41-D45 PolarHBondContact O-N 3.29Å; N41-D45 VanDerWaalsContact O-N 3.09Å; N41-Y128 HydrophobicContact CB-CD2 4.2Å; N41-Y128 HydrophobicContact CB-CE2 3.84Å |
| 42 | P | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.2 | -18.3 | -177.2 | 29.7 | -38.6 | 0 | 0 | 0 | 114.5 | C39 I47 M48 L114 L126 | C39-P42 HydrophobicContact CB-CG 4.37Å; C39-P42 VanDerWaalsContact O-CD 3.29Å; C39-P42 WeakPolarHBondContact O-CD 3.5Å; C39-P42 WeakPolarHBondContact O-CG 3.49Å; P42-I47 HydrophobicContact CB-CD1 3.78Å; P42-I47 HydrophobicContact CB-CG1 3.63Å; P42-I47 WeakPolarHBondContact O-CG1 3.39Å; P42-I47 PolarHBondContact O-N 3.4Å; P42-I47 VanDerWaalsContact O-N 3.13Å; P42-M48 HydrophobicContact CB-CB 3.89Å; P42-M48 HydrophobicContact CG-CB 4.44Å; P42-M48 HydrophobicContact CG-SD 4.4Å; P42-M48 PolarHBondContact O-N 2.89Å; P42-L114 HydrophobicContact CB-CD1 3.66Å; P42-L114 HydrophobicContact CB-CD2 4.2Å; P42-L114 HydrophobicContact CG-CD1 4.13Å; P42-L114 HydrophobicContact CG-CD2 4.49Å; P42-L126 HydrophobicContact CG-CB 4.09Å; P42-L126 HydrophobicContact CG-CD1 3.88Å |
| 43 | V | 94 | Very high | 94.5 | Very high | 34 Ų | 34 | 54.4 Ų | 54.4 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -84.2 | -40.9 | 177.3 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | C39 K40 N41 D45 G46 V50 T82 | C39-V43 HydrophobicContact CB-CG2 3.89Å; C39-V43 VanDerWaalsContact O-CB 3.29Å; C39-V43 WeakPolarHBondContact O-CB 3.48Å; C39-V43 WeakPolarHBondContact O-CG2 3.49Å; C39-V43 PolarHBondContact O-N 3.12Å; K40-V43 PolarHBondContact O-N 3.03Å; N41-V43 PolarHBondContact O-N 3.35Å; V43-D45 VanDerWaalsContact C-N 3.31Å; V43-G46 PolarHBondContact O-N 3.43Å; V43-V50 HydrophobicContact CB-CG2 4.14Å; V43-V50 HydrophobicContact CG1-CG2 3.76Å; V43-V50 HydrophobicContact CG2-CG2 3.21Å; V43-T82 HydrophobicContact CB-CG2 4.46Å; V43-T82 HydrophobicContact CG1-CG2 4.16Å |
| 44 | E | 93.5 | Very high | 94.6 | Very high | 121 Ų | 121 | 52.2 Ų | 52.2 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.3 | -37.1 | 175.1 | -73.3 | 176.5 | 178.3 | 0 | 0 | 111.4 | K40 N41 G46 | K40-E44 VanDerWaalsContact CE-CD 3.43Å; K40-E44 WeakPolarHBondContact CE-OE1 3.46Å; K40-E44 VanDerWaalsContact CE-OE2 3.29Å; K40-E44 WeakPolarHBondContact CE-OE2 3.16Å; K40-E44 HydrophobicContact CG-CG 4.35Å; K40-E44 VanDerWaalsContact CG-OE1 3.25Å; K40-E44 WeakPolarHBondContact CG-OE1 3.36Å; K40-E44 WeakPolarHBondContact O-CG 3.19Å; K40-E44 PolarHBondContact O-N 3.35Å; N41-E44 PolarHBondContact O-N 2.87Å; E44-G46 PolarHBondContact O-N 3.04Å |
| 45 | D | 93.5 | Very high | 94.5 | Very high | 97 Ų | 97 | 49.3 Ų | 49.3 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -4.3 | 175.9 | -60 | -28.1 | 0 | 0 | 0 | 113.6 | N41 V43 I47 Y128 | N41-D45 VanDerWaalsContact O-CG 3.28Å; N41-D45 PolarHBondContact O-N 3.29Å; N41-D45 VanDerWaalsContact O-N 3.09Å; V43-D45 VanDerWaalsContact C-N 3.31Å; D45-I47 VanDerWaalsContact C-N 3.26Å; D45-I47 PolarHBondContact O-N 3.06Å; D45-Y128 WeakPolarHBondContact OD2-CE2 3.43Å; D45-Y128 VanDerWaalsContact OD2-CZ 3.25Å; D45-Y128 PolarHBondContact OD2-OH 2.94Å |
| 46 | G | 92 | Very high | 94.5 | Very high | 63 Ų | 63 | 48.1 Ų | 48.1 | 65% | 0.649 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 2.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | V43 E44 M48 | V43-G46 PolarHBondContact O-N 3.43Å; E44-G46 PolarHBondContact O-N 3.04Å; G46-M48 VanDerWaalsContact C-N 3.33Å |
| 47 | I | 93.1 | Very high | 94.5 | Very high | 73 Ų | 73 | 46 Ų | 46 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -77.6 | -17.1 | 179.8 | 64.8 | 166.3 | 0 | 0 | 0 | 113.4 | P42 D45 L110 L114 Y128 | P42-I47 HydrophobicContact CB-CD1 3.78Å; P42-I47 HydrophobicContact CB-CG1 3.63Å; P42-I47 WeakPolarHBondContact O-CG1 3.39Å; P42-I47 PolarHBondContact O-N 3.4Å; P42-I47 VanDerWaalsContact O-N 3.13Å; D45-I47 VanDerWaalsContact C-N 3.26Å; D45-I47 PolarHBondContact O-N 3.06Å; I47-L110 HydrophobicContact CB-CD2 4.46Å; I47-L110 HydrophobicContact CD1-CD2 4.39Å; I47-L114 HydrophobicContact CD1-CD1 4.01Å; I47-L114 HydrophobicContact CD1-CD2 4.47Å; I47-L114 HydrophobicContact CD1-CG 4.38Å; I47-Y128 HydrophobicContact CD1-CE1 3.95Å; I47-Y128 WeakPolarHBondContact CD1-OH 3.21Å |
| 48 | M | 92.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | trans | -132.1 | 131.9 | 178.5 | -179.5 | 177.6 | -67 | 0 | 0 | 111.7 | C39 P42 G46 Y104 L105 L110 L114 L126 | C39-M48 HydrophobicContact CB-SD 4.3Å; P42-M48 HydrophobicContact CB-CB 3.89Å; P42-M48 HydrophobicContact CG-CB 4.44Å; P42-M48 HydrophobicContact CG-SD 4.4Å; P42-M48 PolarHBondContact O-N 2.89Å; G46-M48 VanDerWaalsContact C-N 3.33Å; M48-Y104 HydrophobicContact CE-CD1 4.19Å; M48-Y104 HydrophobicContact CE-CE1 3.86Å; M48-Y104 HydrophobicContact CG-CE1 4.16Å; M48-Y104 HydrophobicContact SD-CE1 4.14Å; M48-L105 HydrophobicContact CE-CD2 3.42Å; M48-L105 VanDerWaalsContact CE-CD2 3.42Å; M48-L110 HydrophobicContact CB-CD1 4.5Å; M48-L110 HydrophobicContact CE-CD1 3.87Å; M48-L114 HydrophobicContact CE-CD1 4.21Å; M48-L126 HydrophobicContact CE-CD1 3.52Å; M48-L126 HydrophobicContact SD-CD1 3.73Å | ||
| 49 | N | 93.6 | Very high | 94.3 | Very high | 90 Ų | 90 | 52.8 Ų | 52.8 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | trans | -94.2 | 121.9 | 169.3 | -170.8 | -16.9 | 0 | 0 | 0 | 111 | N51 D52 F53 Y104 | N49-N51 VanDerWaalsContact C-N 3.3Å; N49-N51 PolarHBondContact O-N 2.99Å; N49-N51 WeakPolarHBondContact OD1-CB 3.39Å; N49-N51 PolarHBondContact OD1-N 2.85Å; N49-D52 HydrophobicContact CB-CB 4.14Å; N49-D52 PolarHBondContact O-N 3.08Å; N49-F53 PolarHBondContact O-N 3.28Å; N49-F53 VanDerWaalsContact O-N 3.11Å; N49-Y104 PolarHBondContact O-OH 2.64Å | ||
| 50 | V | 94.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -33.9 | 178.8 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | V43 F53 G54 I79 I84 | V43-V50 HydrophobicContact CB-CG2 4.14Å; V43-V50 HydrophobicContact CG1-CG2 3.76Å; V43-V50 HydrophobicContact CG2-CG2 3.21Å; V50-F53 PolarHBondContact O-N 2.89Å; V50-G54 PolarHBondContact O-N 3.36Å; V50-I79 HydrophobicContact CB-CG2 4.41Å; V50-I79 HydrophobicContact CG1-CG2 3.63Å; V50-I84 HydrophobicContact CG1-CD1 3.99Å; V50-I84 HydrophobicContact CG1-CG1 3.68Å |
| 51 | N | 95 | Very high | 94.5 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | -179.9 | -66 | -62 | 0 | 0 | 0 | 111.2 | N49 F53 G54 T55 | N49-N51 VanDerWaalsContact C-N 3.3Å; N49-N51 PolarHBondContact O-N 2.99Å; N49-N51 WeakPolarHBondContact OD1-CB 3.39Å; N49-N51 PolarHBondContact OD1-N 2.85Å; N51-F53 VanDerWaalsContact C-N 3.29Å; N51-F53 PolarHBondContact O-N 3.28Å; N51-G54 PolarHBondContact O-N 3.26Å; N51-G54 VanDerWaalsContact O-N 3.15Å; N51-T55 WeakPolarHBondContact O-CG2 3.26Å; N51-T55 PolarHBondContact O-N 3.48Å; N51-T55 PolarHBondContact O-OG1 3.34Å |
| 52 | D | 95.3 | Very high | 94.6 | Very high | 71 Ų | 71 | 54.5 Ų | 54.5 | 38% | 0.38 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 174.9 | -175.5 | 55.8 | 0 | 0 | 0 | 111.8 | N49 G54 T55 F56 Y104 | N49-D52 HydrophobicContact CB-CB 4.14Å; N49-D52 PolarHBondContact O-N 3.08Å; D52-G54 VanDerWaalsContact C-N 3.33Å; D52-G54 PolarHBondContact O-N 2.94Å; D52-T55 WeakPolarHBondContact CA-OG1 3.35Å; D52-T55 PolarHBondContact O-N 3.47Å; D52-T55 PolarHBondContact O-OG1 3.01Å; D52-F56 WeakPolarHBondContact O-CB 3.45Å; D52-F56 PolarHBondContact O-N 3.34Å; D52-Y104 VanDerWaalsContact OD2-CE2 3.31Å; D52-Y104 WeakPolarHBondContact OD2-CE2 3.43Å; D52-Y104 PolarHBondContact OD2-OH 2.93Å |
| 53 | F | 96 | Very high | 94.6 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 174.9 | -174.5 | -138.3 | 0 | 0 | 0 | 112 | L37 N49 V50 N51 F56 L57 I84 T101 Y104 | L37-F53 HydrophobicContact CD1-CE1 3.78Å; L37-F53 HydrophobicContact CD1-CZ 3.88Å; N49-F53 PolarHBondContact O-N 3.28Å; N49-F53 VanDerWaalsContact O-N 3.11Å; V50-F53 PolarHBondContact O-N 2.89Å; N51-F53 VanDerWaalsContact C-N 3.29Å; N51-F53 PolarHBondContact O-N 3.28Å; F53-F56 HydrophobicContact CD2-CD1 4.29Å; F53-F56 HydrophobicContact CE2-CD1 4.22Å; F53-F56 PolarHBondContact O-N 3.01Å; F53-L57 HydrophobicContact CD2-CG 4.25Å; F53-L57 HydrophobicContact CE1-CD1 3.96Å; F53-L57 HydrophobicContact CE2-CD1 4.03Å; F53-L57 HydrophobicContact CE2-CD2 3.84Å; F53-L57 HydrophobicContact CE2-CG 3.73Å; F53-L57 HydrophobicContact CZ-CD1 3.63Å; F53-L57 HydrophobicContact CZ-CD2 3.94Å; F53-L57 HydrophobicContact CZ-CG 3.85Å; F53-L57 WeakPolarHBondContact O-CG 3.27Å; F53-L57 PolarHBondContact O-N 2.85Å; F53-I84 HydrophobicContact CB-CD1 4.2Å; F53-I84 HydrophobicContact CD1-CD1 3.26Å; F53-I84 HydrophobicContact CD1-CG1 4.37Å; F53-I84 HydrophobicContact CE1-CD1 3.71Å; F53-I84 HydrophobicContact CG-CD1 3.96Å; F53-T101 HydrophobicContact CE1-CG2 4.07Å; F53-T101 HydrophobicContact CE2-CG2 4.27Å; F53-T101 HydrophobicContact CZ-CG2 3.39Å; F53-Y104 HydrophobicContact CB-CD1 4.34Å; F53-Y104 HydrophobicContact CB-CE1 3.74Å; F53-Y104 HydrophobicContact CB-CE2 4.22Å; F53-Y104 AromaticContact CD2-CD1 3.37Å; F53-Y104 HydrophobicContact CD2-CD1 3.37Å; F53-Y104 AromaticContact CD2-CD2 3.81Å; F53-Y104 HydrophobicContact CD2-CD2 3.81Å; F53-Y104 AromaticContact CD2-CE1 3.69Å; F53-Y104 HydrophobicContact CD2-CE1 3.69Å; F53-Y104 HydrophobicContact CD2-CE2 4.1Å; F53-Y104 AromaticContact CD2-CG 3.42Å; F53-Y104 HydrophobicContact CD2-CG 3.42Å; F53-Y104 VanDerWaalsContact CD2-CG 3.42Å; F53-Y104 AromaticContact CE2-CD1 3.98Å; F53-Y104 HydrophobicContact CE2-CD1 3.98Å; F53-Y104 AromaticContact CE2-CG 3.9Å; F53-Y104 HydrophobicContact CE2-CG 3.9Å; F53-Y104 AromaticContact CG-CD1 3.98Å; F53-Y104 HydrophobicContact CG-CD1 3.98Å; F53-Y104 AromaticContact CG-CE1 3.86Å; F53-Y104 HydrophobicContact CG-CE1 3.86Å; F53-Y104 HydrophobicContact CG-CG 4.4Å; F53-Y104 PolarHBondContact N-OH 2.82Å |
| 54 | G | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | V50 N51 D52 L57 N58 | V50-G54 PolarHBondContact O-N 3.36Å; N51-G54 PolarHBondContact O-N 3.26Å; N51-G54 VanDerWaalsContact O-N 3.15Å; D52-G54 VanDerWaalsContact C-N 3.33Å; D52-G54 PolarHBondContact O-N 2.94Å; G54-L57 PolarHBondContact O-N 2.95Å; G54-N58 PolarHBondContact O-N 2.87Å; G54-N58 PolarHBondContact O-ND2 3.33Å |
| 55 | T | 94.9 | Very high | 94.3 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 174.6 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | N51 D52 L57 N58 E59 | N51-T55 WeakPolarHBondContact O-CG2 3.26Å; N51-T55 PolarHBondContact O-N 3.48Å; N51-T55 PolarHBondContact O-OG1 3.34Å; D52-T55 WeakPolarHBondContact CA-OG1 3.35Å; D52-T55 PolarHBondContact O-N 3.47Å; D52-T55 PolarHBondContact O-OG1 3.01Å; T55-L57 VanDerWaalsContact C-N 3.31Å; T55-L57 PolarHBondContact O-N 2.98Å; T55-N58 WeakPolarHBondContact O-CB 3.44Å; T55-N58 PolarHBondContact O-N 3.14Å; T55-N58 VanDerWaalsContact O-N 3.14Å; T55-E59 WeakPolarHBondContact O-CG 3.4Å; T55-E59 PolarHBondContact O-N 3.07Å |
| 56 | F | 96.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56 | -44.8 | 174.8 | 172.9 | -91 | 0 | 0 | 0 | 112.3 | D52 F53 E59 R60 L100 K103 Y104 | D52-F56 WeakPolarHBondContact O-CB 3.45Å; D52-F56 PolarHBondContact O-N 3.34Å; F53-F56 HydrophobicContact CD2-CD1 4.29Å; F53-F56 HydrophobicContact CE2-CD1 4.22Å; F53-F56 PolarHBondContact O-N 3.01Å; F56-E59 PolarHBondContact O-N 2.81Å; F56-R60 HydrophobicContact CD1-CG 4.46Å; F56-R60 HydrophobicContact CD2-CG 3.95Å; F56-R60 HydrophobicContact CE1-CB 4.35Å; F56-R60 HydrophobicContact CE1-CG 4.2Å; F56-R60 HydrophobicContact CE2-CG 3.7Å; F56-R60 HydrophobicContact CG-CG 4.35Å; F56-R60 HydrophobicContact CZ-CB 4.35Å; F56-R60 HydrophobicContact CZ-CG 3.83Å; F56-R60 VanDerWaalsContact O-CB 3.27Å; F56-R60 WeakPolarHBondContact O-CB 3.41Å; F56-R60 WeakPolarHBondContact O-CG 3.49Å; F56-R60 PolarHBondContact O-N 3.49Å; F56-L100 HydrophobicContact CE1-CB 4.46Å; F56-L100 WeakPolarHBondContact CE1-O 3.38Å; F56-K103 HydrophobicContact CZ-CB 4.19Å; F56-K103 HydrophobicContact CZ-CD 4.31Å; F56-K103 HydrophobicContact CZ-CG 4.12Å; F56-Y104 HydrophobicContact CB-CD2 3.81Å; F56-Y104 HydrophobicContact CB-CE2 4.1Å; F56-Y104 AromaticContact CD1-CD2 3.86Å; F56-Y104 HydrophobicContact CD1-CD2 3.86Å; F56-Y104 HydrophobicContact CD1-CG 4.2Å; F56-Y104 AromaticContact CD2-CD2 3.95Å; F56-Y104 HydrophobicContact CD2-CD2 3.95Å; F56-Y104 HydrophobicContact CE1-CD2 4.43Å; F56-Y104 HydrophobicContact CE1-CG 4.5Å; F56-Y104 HydrophobicContact CE2-CD2 4.48Å; F56-Y104 AromaticContact CG-CD2 3.59Å; F56-Y104 HydrophobicContact CG-CD2 3.59Å; F56-Y104 HydrophobicContact CG-CE2 4.36Å; F56-Y104 HydrophobicContact CG-CG 4.38Å |
| 57 | L | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 177.7 | -71.5 | 177.7 | 0 | 0 | 0 | 111.6 | L37 F53 G54 T55 E59 R60 I61 L77 I84 L100 | L37-L57 HydrophobicContact CD1-CD1 4.09Å; F53-L57 HydrophobicContact CD2-CG 4.25Å; F53-L57 HydrophobicContact CE1-CD1 3.96Å; F53-L57 HydrophobicContact CE2-CD1 4.03Å; F53-L57 HydrophobicContact CE2-CD2 3.84Å; F53-L57 HydrophobicContact CE2-CG 3.73Å; F53-L57 HydrophobicContact CZ-CD1 3.63Å; F53-L57 HydrophobicContact CZ-CD2 3.94Å; F53-L57 HydrophobicContact CZ-CG 3.85Å; F53-L57 WeakPolarHBondContact O-CG 3.27Å; F53-L57 PolarHBondContact O-N 2.85Å; G54-L57 PolarHBondContact O-N 2.95Å; T55-L57 VanDerWaalsContact C-N 3.31Å; T55-L57 PolarHBondContact O-N 2.98Å; L57-E59 VanDerWaalsContact C-N 3.29Å; L57-E59 PolarHBondContact O-N 3.41Å; L57-R60 PolarHBondContact O-N 2.94Å; L57-I61 HydrophobicContact CB-CD1 4.07Å; L57-I61 WeakPolarHBondContact O-CB 3.15Å; L57-I61 WeakPolarHBondContact O-CD1 3.18Å; L57-I61 WeakPolarHBondContact O-CG1 3.4Å; L57-I61 PolarHBondContact O-N 2.89Å; L57-L77 HydrophobicContact CB-CD1 3.47Å; L57-L77 VanDerWaalsContact CB-CD1 3.47Å; L57-L77 HydrophobicContact CD1-CD1 4.44Å; L57-L77 HydrophobicContact CD1-CD2 4.43Å; L57-I84 HydrophobicContact CD1-CD1 4.09Å; L57-I84 HydrophobicContact CD1-CG2 4.09Å; L57-L100 HydrophobicContact CD2-CB 3.72Å; L57-L100 HydrophobicContact CD2-CD1 3.98Å; L57-L100 HydrophobicContact CD2-CG 4.48Å |
| 58 | N | 94.3 | Very high | 94.3 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 43% | 0.428 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.8 | -41.7 | 176.4 | -87.2 | -40.5 | 0 | 0 | 0 | 112.6 | G54 T55 M70 L77 | G54-N58 PolarHBondContact O-N 2.87Å; G54-N58 PolarHBondContact O-ND2 3.33Å; T55-N58 WeakPolarHBondContact O-CB 3.44Å; T55-N58 PolarHBondContact O-N 3.14Å; T55-N58 VanDerWaalsContact O-N 3.14Å; N58-M70 WeakPolarHBondContact OD1-CE 3.49Å; N58-L77 WeakPolarHBondContact OD1-CD1 3.32Å |
| 59 | E | 95.2 | Very high | 94.2 | Very high | 119 Ų | 119 | 61.9 Ų | 61.9 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -75.6 | -33.1 | 179.8 | -68.6 | 175.3 | -177.9 | 0 | 0 | 113.7 | T55 F56 L57 V67 | T55-E59 WeakPolarHBondContact O-CG 3.4Å; T55-E59 PolarHBondContact O-N 3.07Å; F56-E59 PolarHBondContact O-N 2.81Å; L57-E59 VanDerWaalsContact C-N 3.29Å; L57-E59 PolarHBondContact O-N 3.41Å; E59-V67 WeakPolarHBondContact O-CB 3.41Å; E59-V67 WeakPolarHBondContact O-CG1 3.41Å |
| 60 | R | 95.9 | Very high | 94 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 36% | 0.362 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -101.2 | -17.3 | -167.9 | -62.8 | -59.9 | -169.6 | 125.9 | 7.2 | 114.7 | F56 L57 K62 Y96 L100 | F56-R60 HydrophobicContact CD1-CG 4.46Å; F56-R60 HydrophobicContact CD2-CG 3.95Å; F56-R60 HydrophobicContact CE1-CB 4.35Å; F56-R60 HydrophobicContact CE1-CG 4.2Å; F56-R60 HydrophobicContact CE2-CG 3.7Å; F56-R60 HydrophobicContact CG-CG 4.35Å; F56-R60 HydrophobicContact CZ-CB 4.35Å; F56-R60 HydrophobicContact CZ-CG 3.83Å; F56-R60 VanDerWaalsContact O-CB 3.27Å; F56-R60 WeakPolarHBondContact O-CB 3.41Å; F56-R60 WeakPolarHBondContact O-CG 3.49Å; F56-R60 PolarHBondContact O-N 3.49Å; L57-R60 PolarHBondContact O-N 2.94Å; R60-K62 PolarHBondContact O-N 3.41Å; R60-Y96 PolarHBondContact O-OH 2.8Å; R60-Y96 VanDerWaalsContact O-OH 3.12Å; R60-L100 HydrophobicContact CB-CD2 3.92Å |
| 61 | I | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -67.6 | 126.6 | 175.6 | -70.4 | 164.3 | 0 | 0 | 0 | 109.5 | L57 V63 M70 L77 L86 F92 Y96 L100 | L57-I61 HydrophobicContact CB-CD1 4.07Å; L57-I61 WeakPolarHBondContact O-CB 3.15Å; L57-I61 WeakPolarHBondContact O-CD1 3.18Å; L57-I61 WeakPolarHBondContact O-CG1 3.4Å; L57-I61 PolarHBondContact O-N 2.89Å; I61-V63 HydrophobicContact CG2-CG2 4.38Å; I61-M70 HydrophobicContact CB-CE 4.36Å; I61-M70 HydrophobicContact CB-CG 4.14Å; I61-M70 HydrophobicContact CB-SD 3.36Å; I61-M70 WeakPolarHBondContact CB-SD 3.44Å; I61-M70 HydrophobicContact CD1-CE 3.87Å; I61-M70 HydrophobicContact CD1-SD 3.55Å; I61-M70 VanDerWaalsContact CD1-SD 3.55Å; I61-M70 HydrophobicContact CG1-SD 4.05Å; I61-M70 HydrophobicContact CG2-CG 3.95Å; I61-M70 HydrophobicContact CG2-SD 3.19Å; I61-M70 WeakPolarHBondContact CG2-SD 3.32Å; I61-L77 HydrophobicContact CD1-CD1 3.93Å; I61-L77 HydrophobicContact CD1-CD2 4.31Å; I61-L77 HydrophobicContact CD1-CG 4.33Å; I61-L86 HydrophobicContact CD1-CD1 3.76Å; I61-F92 HydrophobicContact CG2-CE2 3.83Å; I61-F92 HydrophobicContact CG2-CZ 4.37Å; I61-Y96 HydrophobicContact CG2-CE1 4.18Å; I61-L100 HydrophobicContact CB-CD1 4.4Å; I61-L100 HydrophobicContact CD1-CD1 4.47Å; I61-L100 HydrophobicContact CG1-CD1 3.4Å; I61-L100 VanDerWaalsContact CG1-CD1 3.4Å | ||
| 62 | K | 94.5 | Very high | 93.2 | Very high | 113 Ų | 113 | 61.8 Ų | 61.8 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 135.7 | 173.2 | -66.3 | -179.2 | 175.6 | -166.5 | 0 | 110.2 | R60 K66 V67 Y96 | R60-K62 PolarHBondContact O-N 3.41Å; K62-K66 CarbonylContact C-O 3.59Å; K62-K66 VanDerWaalsContact CA-O 3.24Å; K62-K66 WeakPolarHBondContact CA-O 3.49Å; K62-V67 HydrophobicContact CD-CG1 4.46Å; K62-V67 HydrophobicContact CG-CG1 3.58Å; K62-Y96 WeakPolarHBondContact CB-OH 3.44Å; K62-Y96 PolarHBondContact N-OH 2.95Å |
| 63 | V | 93.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 5% | 0.048 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.4 | 166.3 | -170.6 | 0 | 0 | 0 | 0 | 107.5 | I61 G65 K66 M70 N73 V75 V90 | I61-V63 HydrophobicContact CG2-CG2 4.38Å; V63-G65 PolarHBondContact O-N 3.04Å; V63-K66 PolarHBondContact N-O 3.36Å; V63-K66 PolarHBondContact O-N 3.06Å; V63-M70 HydrophobicContact CG2-CG 4.31Å; V63-N73 HydrophobicContact CB-CB 4.26Å; V63-N73 HydrophobicContact CG1-CB 3.53Å; V63-N73 WeakPolarHBondContact CG1-ND2 3.48Å; V63-V75 HydrophobicContact CG2-CB 4.48Å; V63-V75 HydrophobicContact CG2-CG2 3.84Å; V63-V90 HydrophobicContact CG1-CG1 4.47Å |
| 64 | N | 90.5 | Very high | 92.6 | Very high | 134 Ų | 134 | 61.1 Ų | 61.1 | 72% | 0.717 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 38.1 | -173.2 | -59.6 | -22.9 | 0 | 0 | 0 | 113.6 | K66 | N64-K66 VanDerWaalsContact C-N 3.31Å; N64-K66 PolarHBondContact O-N 3.46Å |
| 65 | G | 92.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 61.3 Ų | 61.3 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -10.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V63 | V63-G65 PolarHBondContact O-N 3.04Š|
| 66 | K | 94 | Very high | 92.6 | Very high | 146 Ų | 146 | 64.1 Ų | 64.1 | 64% | 0.635 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 142.5 | -178.7 | -63.5 | -175.8 | 179.5 | -178.1 | 0 | 112 | K62 V63 N64 | K62-K66 CarbonylContact C-O 3.59Å; K62-K66 VanDerWaalsContact CA-O 3.24Å; K62-K66 WeakPolarHBondContact CA-O 3.49Å; V63-K66 PolarHBondContact N-O 3.36Å; V63-K66 PolarHBondContact O-N 3.06Å; N64-K66 VanDerWaalsContact C-N 3.31Å; N64-K66 PolarHBondContact O-N 3.46Å |
| 67 | V | 94.3 | Very high | 92.5 | Very high | 74 Ų | 74 | 65.5 Ų | 65.5 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 160 | 169.2 | -65.3 | 0 | 0 | 0 | 0 | 110.1 | E59 K62 N69 | E59-V67 WeakPolarHBondContact O-CB 3.41Å; E59-V67 WeakPolarHBondContact O-CG1 3.41Å; K62-V67 HydrophobicContact CD-CG1 4.46Å; K62-V67 HydrophobicContact CG-CG1 3.58Å; V67-N69 VanDerWaalsContact C-N 3.25Å; V67-N69 PolarHBondContact O-N 3.23Å; V67-N69 PolarHBondContact O-OD1 3.34Å |
| 68 | G | 90.6 | Very high | 92.5 | Very high | 69 Ų | 69 | 70.5 Ų | 70.5 | 71% | 0.711 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 81.3 | -6.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 69 | N | 89 | Confident | 92.5 | Very high | 63 Ų | 63 | 70.4 Ų | 70.4 | 34% | 0.337 | 40% | 0.404 | S | S | . | . | trans | -94.8 | 17.1 | -178.4 | -77.7 | 82.4 | 0 | 0 | 0 | 114.2 | V67 N73 | V67-N69 VanDerWaalsContact C-N 3.25Å; V67-N69 PolarHBondContact O-N 3.23Å; V67-N69 PolarHBondContact O-OD1 3.34Å; N69-N73 WeakPolarHBondContact O-CB 3.22Å; N69-N73 PolarHBondContact O-N 3.16Å; N69-N73 PolarHBondContact O-ND2 2.97Å | ||
| 70 | M | 89.8 | Confident | 92.3 | Very high | 11 Ų | 11 | 66.8 Ų | 66.8 | 5% | 0.054 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -55.3 | -174.6 | -72.4 | -125.7 | -64.6 | 0 | 0 | 113.3 | N58 I61 V63 A72 N73 G74 V75 L77 | N58-M70 WeakPolarHBondContact OD1-CE 3.49Å; I61-M70 HydrophobicContact CB-CE 4.36Å; I61-M70 HydrophobicContact CB-CG 4.14Å; I61-M70 HydrophobicContact CB-SD 3.36Å; I61-M70 WeakPolarHBondContact CB-SD 3.44Å; I61-M70 HydrophobicContact CD1-CE 3.87Å; I61-M70 HydrophobicContact CD1-SD 3.55Å; I61-M70 VanDerWaalsContact CD1-SD 3.55Å; I61-M70 HydrophobicContact CG1-SD 4.05Å; I61-M70 HydrophobicContact CG2-CG 3.95Å; I61-M70 HydrophobicContact CG2-SD 3.19Å; I61-M70 WeakPolarHBondContact CG2-SD 3.32Å; V63-M70 HydrophobicContact CG2-CG 4.31Å; M70-A72 VanDerWaalsContact C-N 3.3Å; M70-A72 PolarHBondContact O-N 3.28Å; M70-N73 CarbonylContact O-C 3.59Å; M70-N73 PolarHBondContact O-N 3.13Å; M70-N73 VanDerWaalsContact O-N 3.09Å; M70-G74 PolarHBondContact O-N 3.46Å; M70-V75 CarbonylContact C-O 3.54Å; M70-V75 HydrophobicContact CB-CB 4.28Å; M70-V75 HydrophobicContact CE-CG1 4.45Å; M70-V75 HydrophobicContact CG-CB 4.49Å; M70-V75 PolarHBondContact O-N 3.39Å; M70-V75 VanDerWaalsContact O-N 3.08Å; M70-V75 HydrophobicContact SD-CB 3.92Å; M70-V75 HydrophobicContact SD-CG1 3.46Å; M70-V75 WeakPolarHBondContact SD-CG1 3.38Å; M70-L77 HydrophobicContact CE-CD1 3.74Å; M70-L77 HydrophobicContact CE-CG 3.9Å |
| 71 | A | 85.2 | Confident | 92.1 | Very high | 95 Ų | 95 | 71.6 Ų | 71.6 | 79% | 0.785 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -59.9 | -41.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N73 | A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 2.93Å |
| 72 | A | 88.7 | Confident | 92 | Very high | 87 Ų | 87 | 73.2 Ų | 73.2 | 72% | 0.719 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -67 | -26.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | M70 | M70-A72 VanDerWaalsContact C-N 3.3Å; M70-A72 PolarHBondContact O-N 3.28Å |
| 73 | N | 88.6 | Confident | 92 | Very high | 44 Ų | 44 | 71.8 Ų | 71.8 | 24% | 0.235 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -106.5 | 16.9 | -175.9 | -68.5 | -54.9 | 0 | 0 | 0 | 113.4 | V63 N69 M70 A71 V75 V90 | V63-N73 HydrophobicContact CB-CB 4.26Å; V63-N73 HydrophobicContact CG1-CB 3.53Å; V63-N73 WeakPolarHBondContact CG1-ND2 3.48Å; N69-N73 WeakPolarHBondContact O-CB 3.22Å; N69-N73 PolarHBondContact O-N 3.16Å; N69-N73 PolarHBondContact O-ND2 2.97Å; M70-N73 CarbonylContact O-C 3.59Å; M70-N73 PolarHBondContact O-N 3.13Å; M70-N73 VanDerWaalsContact O-N 3.09Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 2.93Å; N73-V75 VanDerWaalsContact C-N 3.34Å; N73-V75 PolarHBondContact O-N 2.93Å; N73-V90 HydrophobicContact CB-CG2 4.42Å; N73-V90 WeakPolarHBondContact O-CG2 3.42Å |
| 74 | G | 90.2 | Very high | 92.1 | Very high | 14 Ų | 14 | 71.5 Ų | 71.5 | 14% | 0.144 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 30.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M70 S88 E89 | M70-G74 PolarHBondContact O-N 3.46Å; G74-S88 WeakPolarHBondContact O-CA 3.31Å; G74-E89 PolarHBondContact O-N 3.09Å |
| 75 | V | 93.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.024 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.9 | 166.1 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | V63 M70 N73 L86 T87 | V63-V75 HydrophobicContact CG2-CB 4.48Å; V63-V75 HydrophobicContact CG2-CG2 3.84Å; M70-V75 CarbonylContact C-O 3.54Å; M70-V75 HydrophobicContact CB-CB 4.28Å; M70-V75 HydrophobicContact CE-CG1 4.45Å; M70-V75 HydrophobicContact CG-CB 4.49Å; M70-V75 PolarHBondContact O-N 3.39Å; M70-V75 VanDerWaalsContact O-N 3.08Å; M70-V75 HydrophobicContact SD-CB 3.92Å; M70-V75 HydrophobicContact SD-CG1 3.46Å; M70-V75 WeakPolarHBondContact SD-CG1 3.38Å; N73-V75 VanDerWaalsContact C-N 3.34Å; N73-V75 PolarHBondContact O-N 2.93Å; V75-L86 HydrophobicContact CG1-CD1 4.31Å; V75-L86 HydrophobicContact CG1-CD2 4.15Å; V75-L86 HydrophobicContact CG1-CG 4.21Å; V75-T87 CarbonylContact C-O 3.59Å; V75-T87 WeakPolarHBondContact CA-O 3.42Å |
| 76 | K | 94.3 | Very high | 92.6 | Very high | 128 Ų | 128 | 64.5 Ų | 64.5 | 56% | 0.557 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.8 | -178.6 | -61.5 | -176.3 | -179.3 | -176.2 | 0 | 110 | L86 T87 | K76-L86 WeakPolarHBondContact O-CA 3.3Å; K76-T87 PolarHBondContact N-O 3.46Å; K76-T87 PolarHBondContact O-N 3.12Å |
| 77 | L | 95.1 | Very high | 92.6 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.7 | 170.7 | -74.6 | 179 | 0 | 0 | 0 | 109.2 | L57 N58 I61 M70 I84 I85 L86 | L57-L77 HydrophobicContact CB-CD1 3.47Å; L57-L77 VanDerWaalsContact CB-CD1 3.47Å; L57-L77 HydrophobicContact CD1-CD1 4.44Å; L57-L77 HydrophobicContact CD1-CD2 4.43Å; N58-L77 WeakPolarHBondContact OD1-CD1 3.32Å; I61-L77 HydrophobicContact CD1-CD1 3.93Å; I61-L77 HydrophobicContact CD1-CD2 4.31Å; I61-L77 HydrophobicContact CD1-CG 4.33Å; M70-L77 HydrophobicContact CE-CD1 3.74Å; M70-L77 HydrophobicContact CE-CG 3.9Å; L77-I84 HydrophobicContact CD2-CG2 4.02Å; L77-I85 WeakPolarHBondContact CA-O 3.45Å; L77-L86 HydrophobicContact CD2-CB 3.77Å; L77-L86 HydrophobicContact CD2-CD1 3.8Å; L77-L86 HydrophobicContact CD2-CG 3.85Å |
| 78 | E | 95.6 | Very high | 92.6 | Very high | 106 Ų | 106 | 55.1 Ų | 55.1 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128 | 173.7 | -69 | 170.9 | -169.5 | 0 | 0 | 108.5 | I85 | E78-I85 HydrophobicContact CB-CB 4.28Å; E78-I85 PolarHBondContact N-O 3.06Å; E78-I85 PolarHBondContact O-N 3.18Å |
| 79 | I | 95.3 | Very high | 92.7 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.2 | 177.6 | -61.2 | 172.1 | 0 | 0 | 0 | 107.8 | V50 | V50-I79 HydrophobicContact CB-CG2 4.41Å; V50-I79 HydrophobicContact CG1-CG2 3.63Å |
| 80 | A | 91.7 | Very high | 92.8 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 35% | 0.347 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 165.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | T82 K83 | A80-T82 VanDerWaalsContact C-N 3.26Å; A80-T82 PolarHBondContact O-N 2.99Å; A80-K83 CarbonylContact C-O 3.55Å; A80-K83 WeakPolarHBondContact CA-O 3.29Å; A80-K83 HydrophobicContact CB-CB 4.35Å; A80-K83 WeakPolarHBondContact CB-O 3.34Å; A80-K83 PolarHBondContact N-O 3.19Å; A80-K83 PolarHBondContact O-N 3.35Å |
| 81 | K | 90.2 | Very high | 92.8 | Very high | 198 Ų | 198 | 60.1 Ų | 60.1 | 86% | 0.861 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.6 | -47.9 | -172.4 | -64.1 | -177.2 | 178.5 | -176.6 | 0 | 114.7 | ||
| 82 | T | 93.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | 10 | -177.7 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | C39 V43 A80 | C39-T82 CarbonylContact C-O 3.56Å; C39-T82 PolarHBondContact N-O 3.34Å; V43-T82 HydrophobicContact CB-CG2 4.46Å; V43-T82 HydrophobicContact CG1-CG2 4.16Å; A80-T82 VanDerWaalsContact C-N 3.26Å; A80-T82 PolarHBondContact O-N 2.99Å |
| 83 | K | 94.6 | Very high | 93.4 | Very high | 83 Ų | 83 | 55.4 Ų | 55.4 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 142.8 | -172.6 | -54.7 | -171.8 | -178 | -163.3 | 0 | 110.8 | L37 E38 A80 | L37-K83 CarbonylContact O-C 3.58Å; L37-K83 VanDerWaalsContact O-CA 3.29Å; L37-K83 WeakPolarHBondContact O-CA 3.24Å; E38-K83 HydrophobicContact CG-CD 4.01Å; E38-K83 HydrophobicContact CG-CG 4.2Å; E38-K83 WeakPolarHBondContact OE1-CE 3.42Å; E38-K83 IonicContact OE1-NZ 3.68Å; E38-K83 PolarHBondContact OE1-NZ 3.09Å; A80-K83 CarbonylContact C-O 3.55Å; A80-K83 WeakPolarHBondContact CA-O 3.29Å; A80-K83 HydrophobicContact CB-CB 4.35Å; A80-K83 WeakPolarHBondContact CB-O 3.34Å; A80-K83 PolarHBondContact N-O 3.19Å; A80-K83 PolarHBondContact O-N 3.35Å |
| 84 | I | 96.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.8 | 169.3 | -57.8 | -174.9 | 0 | 0 | 0 | 108.7 | L37 V50 F53 L57 L77 | L37-I84 HydrophobicContact CB-CB 4.28Å; L37-I84 PolarHBondContact N-O 2.86Å; L37-I84 PolarHBondContact O-N 3.36Å; V50-I84 HydrophobicContact CG1-CD1 3.99Å; V50-I84 HydrophobicContact CG1-CG1 3.68Å; F53-I84 HydrophobicContact CB-CD1 4.2Å; F53-I84 HydrophobicContact CD1-CD1 3.26Å; F53-I84 HydrophobicContact CD1-CG1 4.37Å; F53-I84 HydrophobicContact CE1-CD1 3.71Å; F53-I84 HydrophobicContact CG-CD1 3.96Å; L57-I84 HydrophobicContact CD1-CD1 4.09Å; L57-I84 HydrophobicContact CD1-CG2 4.09Å; L77-I84 HydrophobicContact CD2-CG2 4.02Å |
| 85 | I | 96.6 | Very high | 94 | Very high | 45 Ų | 45 | 63.2 Ų | 63.2 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.3 | 179.8 | -52.9 | 175.3 | 0 | 0 | 0 | 107.7 | L77 E78 | L77-I85 WeakPolarHBondContact CA-O 3.45Å; E78-I85 HydrophobicContact CB-CB 4.28Å; E78-I85 PolarHBondContact N-O 3.06Å; E78-I85 PolarHBondContact O-N 3.18Å |
| 86 | L | 96 | Very high | 94.2 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.6 | 172.5 | -172.2 | 154.5 | 0 | 0 | 0 | 109.2 | K34 Y35 I61 V75 K76 L77 F92 L97 | K34-L86 CarbonylContact C-O 3.51Å; K34-L86 WeakPolarHBondContact CA-O 3.26Å; Y35-L86 HydrophobicContact CD2-CD2 4.48Å; Y35-L86 PolarHBondContact N-O 2.95Å; Y35-L86 PolarHBondContact O-N 2.8Å; I61-L86 HydrophobicContact CD1-CD1 3.76Å; V75-L86 HydrophobicContact CG1-CD1 4.31Å; V75-L86 HydrophobicContact CG1-CD2 4.15Å; V75-L86 HydrophobicContact CG1-CG 4.21Å; K76-L86 WeakPolarHBondContact O-CA 3.3Å; L77-L86 HydrophobicContact CD2-CB 3.77Å; L77-L86 HydrophobicContact CD2-CD1 3.8Å; L77-L86 HydrophobicContact CD2-CG 3.85Å; L86-F92 HydrophobicContact CD1-CD1 4.26Å; L86-F92 HydrophobicContact CD1-CE1 3.44Å; L86-F92 VanDerWaalsContact CD1-CE1 3.44Å; L86-F92 HydrophobicContact CD1-CE2 4.34Å; L86-F92 HydrophobicContact CD1-CZ 3.49Å; L86-F92 VanDerWaalsContact CD1-CZ 3.49Å; L86-F92 HydrophobicContact CD2-CD1 3.64Å; L86-F92 HydrophobicContact CD2-CE1 3.67Å; L86-F92 HydrophobicContact CD2-CG 4.23Å; L86-F92 HydrophobicContact CD2-CZ 4.29Å; L86-F92 HydrophobicContact CG-CE1 4.24Å; L86-L97 HydrophobicContact CB-CD1 4.27Å; L86-L97 HydrophobicContact CD1-CD1 4.3Å; L86-L97 HydrophobicContact CD1-CD2 3.59Å; L86-L97 HydrophobicContact CD1-CG 4.28Å |
| 87 | T | 95.5 | Very high | 94.3 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 14% | 0.135 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.1 | 173.7 | -60.8 | 0 | 0 | 0 | 0 | 109.2 | T32 I33 K34 V75 K76 | T32-T87 HydrophobicContact CG2-CG2 3.4Å; I33-T87 WeakPolarHBondContact O-CA 3.47Å; K34-T87 HydrophobicContact CG-CG2 4.15Å; V75-T87 CarbonylContact C-O 3.59Å; V75-T87 WeakPolarHBondContact CA-O 3.42Å; K76-T87 PolarHBondContact N-O 3.46Å; K76-T87 PolarHBondContact O-N 3.12Å |
| 88 | S | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.1 | -179.5 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | I33 G74 V90 F92 | I33-S88 PolarHBondContact N-O 3.3Å; I33-S88 PolarHBondContact O-N 3.19Å; G74-S88 WeakPolarHBondContact O-CA 3.31Å; S88-V90 PolarHBondContact OG-O 3.23Å; S88-F92 VanDerWaalsContact OG-CB 3.26Å; S88-F92 WeakPolarHBondContact OG-CB 3.36Å |
| 89 | E | 91.9 | Very high | 94.5 | Very high | 82 Ų | 82 | 62 Ų | 62 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -86.2 | -18.6 | 170 | -67.7 | -175.5 | -156.5 | 0 | 0 | 113.6 | K30 G74 | K30-E89 IonicContact NZ-OE2 3.7Å; K30-E89 PolarHBondContact NZ-OE2 3.02Å; G74-E89 PolarHBondContact O-N 3.09Å |
| 90 | V | 90.9 | Very high | 94.6 | Very high | 43 Ų | 43 | 58.3 Ų | 58.3 | 26% | 0.261 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -97.5 | 152.6 | 179.2 | 174.5 | 0 | 0 | 0 | 0 | 109 | V63 N73 S88 F92 | V63-V90 HydrophobicContact CG1-CG1 4.47Å; N73-V90 HydrophobicContact CB-CG2 4.42Å; N73-V90 WeakPolarHBondContact O-CG2 3.42Å; S88-V90 PolarHBondContact OG-O 3.23Å; V90-F92 PolarHBondContact O-N 3.09Å |
| 91 | P | 91 | Very high | 94.8 | Very high | 124 Ų | 124 | 56.6 Ų | 56.6 | 81% | 0.805 | 27% | 0.269 | S | S | * | . | trans | -52 | 110.7 | 174.3 | -28.9 | 36.9 | 0 | 0 | 0 | 111.7 | ||||
| 92 | F | 92.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | trans | -129.8 | 135.7 | -179.3 | -167.7 | -95.2 | 0 | 0 | 0 | 107.8 | Y35 I61 L86 S88 V90 Y96 L97 | Y35-F92 AromaticContact CD2-CD1 3.89Å; Y35-F92 HydrophobicContact CD2-CD1 3.89Å; Y35-F92 HydrophobicContact CD2-CE1 4.36Å; Y35-F92 AromaticContact CE2-CD1 3.88Å; Y35-F92 HydrophobicContact CE2-CD1 3.88Å; Y35-F92 WeakPolarHBondContact CE2-O 3.35Å; Y35-F92 PolarHBondContact OH-O 2.88Å; I61-F92 HydrophobicContact CG2-CE2 3.83Å; I61-F92 HydrophobicContact CG2-CZ 4.37Å; L86-F92 HydrophobicContact CD1-CD1 4.26Å; L86-F92 HydrophobicContact CD1-CE1 3.44Å; L86-F92 VanDerWaalsContact CD1-CE1 3.44Å; L86-F92 HydrophobicContact CD1-CE2 4.34Å; L86-F92 HydrophobicContact CD1-CZ 3.49Å; L86-F92 VanDerWaalsContact CD1-CZ 3.49Å; L86-F92 HydrophobicContact CD2-CD1 3.64Å; L86-F92 HydrophobicContact CD2-CE1 3.67Å; L86-F92 HydrophobicContact CD2-CG 4.23Å; L86-F92 HydrophobicContact CD2-CZ 4.29Å; L86-F92 HydrophobicContact CG-CE1 4.24Å; S88-F92 VanDerWaalsContact OG-CB 3.26Å; S88-F92 WeakPolarHBondContact OG-CB 3.36Å; V90-F92 PolarHBondContact O-N 3.09Å; F92-Y96 HydrophobicContact CD2-CD1 4.36Å; F92-Y96 AromaticContact CE2-CD1 3.49Å; F92-Y96 HydrophobicContact CE2-CD1 3.49Å; F92-Y96 VanDerWaalsContact CE2-CD1 3.49Å; F92-Y96 AromaticContact CE2-CE1 3.93Å; F92-Y96 HydrophobicContact CE2-CE1 3.93Å; F92-Y96 AromaticContact CZ-CD1 3.61Å; F92-Y96 HydrophobicContact CZ-CD1 3.61Å; F92-Y96 HydrophobicContact CZ-CE1 4.27Å; F92-Y96 HydrophobicContact CZ-CG 4.45Å; F92-L97 HydrophobicContact CE1-CD1 4.18Å; F92-L97 HydrophobicContact CE1-CD2 4.1Å; F92-L97 HydrophobicContact CE1-CG 3.77Å; F92-L97 HydrophobicContact CZ-CD2 4.25Å; F92-L97 HydrophobicContact CZ-CG 4.33Å | ||
| 93 | S | 93.2 | Very high | 95.3 | Very high | 62 Ų | 62 | 53 Ų | 53 | 43% | 0.434 | 25% | 0.251 | S | S | . | . | trans | -101.4 | 135.3 | -176.3 | 72.6 | 0 | 0 | 0 | 0 | 110.9 | R95 Y96 | S93-R95 PolarHBondContact O-N 2.94Å; S93-Y96 WeakPolarHBondContact O-CB 3.38Å; S93-Y96 PolarHBondContact O-N 3.38Å; S93-Y96 PolarHBondContact OG-N 3.21Å | ||
| 94 | K | 95.1 | Very high | 95.5 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 10% | 0.1 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -51.6 | -42.5 | 170.2 | -175.5 | 172.5 | -179.1 | -164.7 | 0 | 111.7 | Y35 Y96 L97 K98 S120 K121 T123 Y124 | Y35-K94 HydrophobicContact CD1-CB 4Å; Y35-K94 HydrophobicContact CD1-CD 4.29Å; Y35-K94 HydrophobicContact CD1-CG 4.18Å; Y35-K94 HydrophobicContact CE1-CB 3.62Å; Y35-K94 HydrophobicContact CE1-CD 4.33Å; Y35-K94 HydrophobicContact CE1-CG 4.24Å; Y35-K94 HydrophobicContact CE2-CB 4.15Å; Y35-K94 HydrophobicContact CG-CB 4.44Å; Y35-K94 PolarHBondContact OH-N 2.92Å; K94-Y96 PolarHBondContact O-N 3.36Å; K94-Y96 VanDerWaalsContact O-N 3.09Å; K94-L97 WeakPolarHBondContact O-CB 3.01Å; K94-L97 PolarHBondContact O-N 3.46Å; K94-K98 PolarHBondContact O-N 2.83Å; K94-S120 PolarHBondContact NZ-O 2.83Å; K94-K121 WeakPolarHBondContact CD-O 3.35Å; K94-K121 WeakPolarHBondContact CE-O 3.37Å; K94-K121 PolarHBondContact NZ-O 2.71Å; K94-T123 WeakPolarHBondContact CE-O 3.45Å; K94-T123 PolarHBondContact NZ-O 3.09Å; K94-Y124 HydrophobicContact CB-CE2 4.43Å; K94-Y124 HydrophobicContact CD-CD2 4.4Å; K94-Y124 HydrophobicContact CD-CE2 3.94Å; K94-Y124 HydrophobicContact CG-CD2 3.91Å; K94-Y124 HydrophobicContact CG-CE2 3.22Å; K94-Y124 VanDerWaalsContact O-CE2 3.3Å; K94-Y124 WeakPolarHBondContact O-CE2 3.46Å |
| 95 | R | 97 | Very high | 95.5 | Very high | 198 Ų | 198 | 49.2 Ų | 49.2 | 75% | 0.747 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -53.4 | -34.1 | 178.4 | -175.2 | -177.9 | -65.1 | -90.3 | 0.8 | 113 | S93 L97 K98 Y99 | S93-R95 PolarHBondContact O-N 2.94Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-K98 WeakPolarHBondContact O-CB 3.19Å; R95-K98 PolarHBondContact O-N 3.47Å; R95-Y99 PolarHBondContact O-N 3.44Å |
| 96 | Y | 96.5 | Very high | 95.5 | Very high | 50 Ų | 50 | 53.9 Ų | 53.9 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 178.1 | -174 | -148.3 | 0 | 0 | 0 | 112.2 | R60 I61 K62 F92 S93 K94 K98 Y99 L100 | R60-Y96 PolarHBondContact O-OH 2.8Å; R60-Y96 VanDerWaalsContact O-OH 3.12Å; I61-Y96 HydrophobicContact CG2-CE1 4.18Å; K62-Y96 WeakPolarHBondContact CB-OH 3.44Å; K62-Y96 PolarHBondContact N-OH 2.95Å; F92-Y96 HydrophobicContact CD2-CD1 4.36Å; F92-Y96 AromaticContact CE2-CD1 3.49Å; F92-Y96 HydrophobicContact CE2-CD1 3.49Å; F92-Y96 VanDerWaalsContact CE2-CD1 3.49Å; F92-Y96 AromaticContact CE2-CE1 3.93Å; F92-Y96 HydrophobicContact CE2-CE1 3.93Å; F92-Y96 AromaticContact CZ-CD1 3.61Å; F92-Y96 HydrophobicContact CZ-CD1 3.61Å; F92-Y96 HydrophobicContact CZ-CE1 4.27Å; F92-Y96 HydrophobicContact CZ-CG 4.45Å; S93-Y96 WeakPolarHBondContact O-CB 3.38Å; S93-Y96 PolarHBondContact O-N 3.38Å; S93-Y96 PolarHBondContact OG-N 3.21Å; K94-Y96 PolarHBondContact O-N 3.36Å; K94-Y96 VanDerWaalsContact O-N 3.09Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 3.15Å; Y96-Y99 AromaticContact CD2-CD1 3.89Å; Y96-Y99 HydrophobicContact CD2-CD1 3.89Å; Y96-Y99 AromaticContact CE2-CD1 3.79Å; Y96-Y99 HydrophobicContact CE2-CD1 3.79Å; Y96-Y99 HydrophobicContact CE2-CE1 4.2Å; Y96-Y99 WeakPolarHBondContact O-CB 3.45Å; Y96-Y99 PolarHBondContact O-N 3.36Å; Y96-L100 HydrophobicContact CD2-CD1 4.34Å; Y96-L100 HydrophobicContact CD2-CG 4.17Å; Y96-L100 HydrophobicContact CE1-CD1 4.17Å; Y96-L100 HydrophobicContact CE2-CD1 3.97Å; Y96-L100 HydrophobicContact CE2-CD2 4Å; Y96-L100 HydrophobicContact CE2-CG 3.82Å; Y96-L100 WeakPolarHBondContact O-CG 3.43Å; Y96-L100 PolarHBondContact O-N 3.49Å |
| 97 | L | 96.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 170.6 | -71.8 | 172.6 | 0 | 0 | 0 | 111.8 | Y35 L37 L86 F92 K94 R95 Y99 L100 T101 Y124 | Y35-L97 VanDerWaalsContact CB-CD1 3.48Å; Y35-L97 HydrophobicContact CD2-CD1 4Å; Y35-L97 HydrophobicContact CG-CD1 4.04Å; L37-L97 HydrophobicContact CD1-CD2 4.19Å; L37-L97 HydrophobicContact CD2-CB 4.25Å; L37-L97 HydrophobicContact CD2-CD1 4.47Å; L37-L97 HydrophobicContact CG-CD1 4.49Å; L86-L97 HydrophobicContact CB-CD1 4.27Å; L86-L97 HydrophobicContact CD1-CD1 4.3Å; L86-L97 HydrophobicContact CD1-CD2 3.59Å; L86-L97 HydrophobicContact CD1-CG 4.28Å; F92-L97 HydrophobicContact CE1-CD1 4.18Å; F92-L97 HydrophobicContact CE1-CD2 4.1Å; F92-L97 HydrophobicContact CE1-CG 3.77Å; F92-L97 HydrophobicContact CZ-CD2 4.25Å; F92-L97 HydrophobicContact CZ-CG 4.33Å; K94-L97 WeakPolarHBondContact O-CB 3.01Å; K94-L97 PolarHBondContact O-N 3.46Å; R95-L97 VanDerWaalsContact C-N 3.34Å; L97-Y99 VanDerWaalsContact C-N 3.27Å; L97-Y99 PolarHBondContact O-N 3.11Å; L97-L100 PolarHBondContact O-N 3.44Å; L97-T101 VanDerWaalsContact O-CG2 3.29Å; L97-T101 WeakPolarHBondContact O-CG2 3.4Å; L97-T101 PolarHBondContact O-N 2.97Å; L97-T101 PolarHBondContact O-OG1 3.4Å; L97-T101 VanDerWaalsContact O-OG1 3.09Å; L97-Y124 HydrophobicContact CB-CE2 4.49Å |
| 98 | K | 97.2 | Very high | 95.4 | Very high | 70 Ų | 70 | 62.8 Ų | 62.8 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 175.8 | -176.5 | 171.8 | -177.2 | 172.3 | 0 | 112.3 | K94 R95 Y96 T101 K102 V116 Y124 | K94-K98 PolarHBondContact O-N 2.83Å; R95-K98 WeakPolarHBondContact O-CB 3.19Å; R95-K98 PolarHBondContact O-N 3.47Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 3.15Å; K98-T101 WeakPolarHBondContact CA-OG1 3.29Å; K98-T101 PolarHBondContact O-OG1 2.87Å; K98-K102 WeakPolarHBondContact O-CB 3.49Å; K98-K102 WeakPolarHBondContact O-CG 3.35Å; K98-K102 PolarHBondContact O-N 2.87Å; K98-K102 VanDerWaalsContact O-N 3.12Å; K98-V116 HydrophobicContact CG-CB 4.41Å; K98-V116 HydrophobicContact CG-CG1 4.11Å; K98-Y124 HydrophobicContact CB-CD2 4.46Å; K98-Y124 HydrophobicContact CB-CE1 4.32Å; K98-Y124 HydrophobicContact CB-CE2 3.66Å; K98-Y124 HydrophobicContact CD-CE1 4.06Å |
| 99 | Y | 97.8 | Very high | 95.4 | Very high | 122 Ų | 122 | 66.6 Ų | 66.6 | 48% | 0.478 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 175.1 | 163.2 | -95.7 | 0 | 0 | 0 | 111.1 | R95 Y96 L97 K102 K103 | R95-Y99 PolarHBondContact O-N 3.44Å; Y96-Y99 AromaticContact CD2-CD1 3.89Å; Y96-Y99 HydrophobicContact CD2-CD1 3.89Å; Y96-Y99 AromaticContact CE2-CD1 3.79Å; Y96-Y99 HydrophobicContact CE2-CD1 3.79Å; Y96-Y99 HydrophobicContact CE2-CE1 4.2Å; Y96-Y99 WeakPolarHBondContact O-CB 3.45Å; Y96-Y99 PolarHBondContact O-N 3.36Å; L97-Y99 VanDerWaalsContact C-N 3.27Å; L97-Y99 PolarHBondContact O-N 3.11Å; Y99-K102 PolarHBondContact O-N 2.87Å; Y99-K103 HydrophobicContact CE1-CD 4.21Å; Y99-K103 WeakPolarHBondContact O-CB 3.11Å; Y99-K103 PolarHBondContact O-N 3.09Å; Y99-K103 PolarHBondContact OH-NZ 3.28Å |
| 100 | L | 97.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.8 | -43.6 | -178.4 | -69.2 | 175.4 | 0 | 0 | 0 | 112.5 | F56 L57 R60 I61 Y96 L97 K102 K103 Y104 | F56-L100 HydrophobicContact CE1-CB 4.46Å; F56-L100 WeakPolarHBondContact CE1-O 3.38Å; L57-L100 HydrophobicContact CD2-CB 3.72Å; L57-L100 HydrophobicContact CD2-CD1 3.98Å; L57-L100 HydrophobicContact CD2-CG 4.48Å; R60-L100 HydrophobicContact CB-CD2 3.92Å; I61-L100 HydrophobicContact CB-CD1 4.4Å; I61-L100 HydrophobicContact CD1-CD1 4.47Å; I61-L100 HydrophobicContact CG1-CD1 3.4Å; I61-L100 VanDerWaalsContact CG1-CD1 3.4Å; Y96-L100 HydrophobicContact CD2-CD1 4.34Å; Y96-L100 HydrophobicContact CD2-CG 4.17Å; Y96-L100 HydrophobicContact CE1-CD1 4.17Å; Y96-L100 HydrophobicContact CE2-CD1 3.97Å; Y96-L100 HydrophobicContact CE2-CD2 4Å; Y96-L100 HydrophobicContact CE2-CG 3.82Å; Y96-L100 WeakPolarHBondContact O-CG 3.43Å; Y96-L100 PolarHBondContact O-N 3.49Å; L97-L100 PolarHBondContact O-N 3.44Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-K102 PolarHBondContact O-N 3.41Å; L100-K103 WeakPolarHBondContact O-CB 3.4Å; L100-K103 PolarHBondContact O-N 2.79Å; L100-K103 VanDerWaalsContact O-N 3.13Å; L100-Y104 PolarHBondContact O-N 2.86Å |
| 101 | T | 96.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 174 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | L37 F53 L97 K98 K103 Y104 L105 V116 | L37-T101 HydrophobicContact CD1-CG2 3.72Å; L37-T101 HydrophobicContact CD2-CG2 4Å; L37-T101 HydrophobicContact CG-CG2 4.48Å; F53-T101 HydrophobicContact CE1-CG2 4.07Å; F53-T101 HydrophobicContact CE2-CG2 4.27Å; F53-T101 HydrophobicContact CZ-CG2 3.39Å; L97-T101 VanDerWaalsContact O-CG2 3.29Å; L97-T101 WeakPolarHBondContact O-CG2 3.4Å; L97-T101 PolarHBondContact O-N 2.97Å; L97-T101 PolarHBondContact O-OG1 3.4Å; L97-T101 VanDerWaalsContact O-OG1 3.09Å; K98-T101 WeakPolarHBondContact CA-OG1 3.29Å; K98-T101 PolarHBondContact O-OG1 2.87Å; T101-K103 VanDerWaalsContact C-N 3.26Å; T101-K103 PolarHBondContact O-N 3.42Å; T101-Y104 WeakPolarHBondContact O-CB 3.5Å; T101-Y104 PolarHBondContact O-N 2.79Å; T101-L105 VanDerWaalsContact O-CG 3.32Å; T101-L105 WeakPolarHBondContact O-CG 3.43Å; T101-L105 PolarHBondContact O-N 3Å; T101-V116 WeakPolarHBondContact OG1-CG2 3.42Å |
| 102 | K | 97.4 | Very high | 95.7 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 34% | 0.335 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -33.3 | 176.1 | -86.4 | -168.1 | 175.3 | -163 | 0 | 113.5 | K98 Y99 L100 K106 R111 V116 | K98-K102 WeakPolarHBondContact O-CB 3.49Å; K98-K102 WeakPolarHBondContact O-CG 3.35Å; K98-K102 PolarHBondContact O-N 2.87Å; K98-K102 VanDerWaalsContact O-N 3.12Å; Y99-K102 PolarHBondContact O-N 2.87Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-K102 PolarHBondContact O-N 3.41Å; K102-K106 PolarHBondContact O-N 2.83Å; K102-K106 VanDerWaalsContact O-N 3.16Å; K102-R111 PolarHBondContact O-NE 3.18Å; K102-R111 PolarHBondContact O-NH2 3.42Å; K102-V116 HydrophobicContact CG-CG2 4.01Å |
| 103 | K | 97.7 | Very high | 95.6 | Very high | 79 Ų | 79 | 70.6 Ų | 70.6 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.2 | -43.2 | 176.7 | -171.2 | 174.7 | -171.3 | 167.5 | 0 | 111.2 | F56 Y99 L100 T101 K106 R107 | F56-K103 HydrophobicContact CZ-CB 4.19Å; F56-K103 HydrophobicContact CZ-CD 4.31Å; F56-K103 HydrophobicContact CZ-CG 4.12Å; Y99-K103 HydrophobicContact CE1-CD 4.21Å; Y99-K103 WeakPolarHBondContact O-CB 3.11Å; Y99-K103 PolarHBondContact O-N 3.09Å; Y99-K103 PolarHBondContact OH-NZ 3.28Å; L100-K103 WeakPolarHBondContact O-CB 3.4Å; L100-K103 PolarHBondContact O-N 2.79Å; L100-K103 VanDerWaalsContact O-N 3.13Å; T101-K103 VanDerWaalsContact C-N 3.26Å; T101-K103 PolarHBondContact O-N 3.42Å; K103-K106 PolarHBondContact O-N 2.82Å; K103-R107 PolarHBondContact O-N 2.8Å |
| 104 | Y | 97.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 173.1 | 179.7 | -105 | 0 | 0 | 0 | 111.8 | M48 N49 D52 F53 F56 L100 T101 K106 R107 N108 | M48-Y104 HydrophobicContact CE-CD1 4.19Å; M48-Y104 HydrophobicContact CE-CE1 3.86Å; M48-Y104 HydrophobicContact CG-CE1 4.16Å; M48-Y104 HydrophobicContact SD-CE1 4.14Å; N49-Y104 PolarHBondContact O-OH 2.64Å; D52-Y104 VanDerWaalsContact OD2-CE2 3.31Å; D52-Y104 WeakPolarHBondContact OD2-CE2 3.43Å; D52-Y104 PolarHBondContact OD2-OH 2.93Å; F53-Y104 HydrophobicContact CB-CD1 4.34Å; F53-Y104 HydrophobicContact CB-CE1 3.74Å; F53-Y104 HydrophobicContact CB-CE2 4.22Å; F53-Y104 AromaticContact CD2-CD1 3.37Å; F53-Y104 HydrophobicContact CD2-CD1 3.37Å; F53-Y104 AromaticContact CD2-CD2 3.81Å; F53-Y104 HydrophobicContact CD2-CD2 3.81Å; F53-Y104 AromaticContact CD2-CE1 3.69Å; F53-Y104 HydrophobicContact CD2-CE1 3.69Å; F53-Y104 HydrophobicContact CD2-CE2 4.1Å; F53-Y104 AromaticContact CD2-CG 3.42Å; F53-Y104 HydrophobicContact CD2-CG 3.42Å; F53-Y104 VanDerWaalsContact CD2-CG 3.42Å; F53-Y104 AromaticContact CE2-CD1 3.98Å; F53-Y104 HydrophobicContact CE2-CD1 3.98Å; F53-Y104 AromaticContact CE2-CG 3.9Å; F53-Y104 HydrophobicContact CE2-CG 3.9Å; F53-Y104 AromaticContact CG-CD1 3.98Å; F53-Y104 HydrophobicContact CG-CD1 3.98Å; F53-Y104 AromaticContact CG-CE1 3.86Å; F53-Y104 HydrophobicContact CG-CE1 3.86Å; F53-Y104 HydrophobicContact CG-CG 4.4Å; F53-Y104 PolarHBondContact N-OH 2.82Å; F56-Y104 HydrophobicContact CB-CD2 3.81Å; F56-Y104 HydrophobicContact CB-CE2 4.1Å; F56-Y104 AromaticContact CD1-CD2 3.86Å; F56-Y104 HydrophobicContact CD1-CD2 3.86Å; F56-Y104 HydrophobicContact CD1-CG 4.2Å; F56-Y104 AromaticContact CD2-CD2 3.95Å; F56-Y104 HydrophobicContact CD2-CD2 3.95Å; F56-Y104 HydrophobicContact CE1-CD2 4.43Å; F56-Y104 HydrophobicContact CE1-CG 4.5Å; F56-Y104 HydrophobicContact CE2-CD2 4.48Å; F56-Y104 AromaticContact CG-CD2 3.59Å; F56-Y104 HydrophobicContact CG-CD2 3.59Å; F56-Y104 HydrophobicContact CG-CE2 4.36Å; F56-Y104 HydrophobicContact CG-CG 4.38Å; L100-Y104 PolarHBondContact O-N 2.86Å; T101-Y104 WeakPolarHBondContact O-CB 3.5Å; T101-Y104 PolarHBondContact O-N 2.79Å; Y104-K106 VanDerWaalsContact C-N 3.25Å; Y104-K106 PolarHBondContact O-N 3Å; Y104-R107 WeakPolarHBondContact O-CB 3.32Å; Y104-R107 PolarHBondContact O-N 2.88Å; Y104-N108 VanDerWaalsContact CE2-ND2 3.26Å; Y104-N108 WeakPolarHBondContact CE2-ND2 3.32Å; Y104-N108 PolarHBondContact O-N 2.97Å; Y104-N108 VanDerWaalsContact O-N 3.09Å; Y104-N108 PolarHBondContact OH-ND2 2.82Å |
| 105 | L | 96.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.8 | -36.9 | 176.9 | -68 | 176.2 | 0 | 0 | 0 | 112.4 | M48 T101 S109 L110 R111 L114 V116 L126 | M48-L105 HydrophobicContact CE-CD2 3.42Å; M48-L105 VanDerWaalsContact CE-CD2 3.42Å; T101-L105 VanDerWaalsContact O-CG 3.32Å; T101-L105 WeakPolarHBondContact O-CG 3.43Å; T101-L105 PolarHBondContact O-N 3Å; L105-S109 CarbonylContact O-C 3.55Å; L105-S109 PolarHBondContact O-N 2.89Å; L105-L110 HydrophobicContact CB-CB 4.36Å; L105-L110 HydrophobicContact CD2-CB 3.66Å; L105-L110 HydrophobicContact CD2-CD1 3.96Å; L105-L110 HydrophobicContact CD2-CG 4.48Å; L105-L110 PolarHBondContact O-N 3.13Å; L105-R111 HydrophobicContact CB-CG 4.21Å; L105-L114 HydrophobicContact CD1-CB 4.35Å; L105-L114 HydrophobicContact CD2-CB 4.32Å; L105-L114 HydrophobicContact CD2-CD1 3.89Å; L105-V116 HydrophobicContact CD1-CG2 3.81Å; L105-L126 HydrophobicContact CD1-CD2 4.18Å |
| 106 | K | 96.4 | Very high | 95.7 | Very high | 144 Ų | 144 | 61.1 Ų | 61.1 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -72.1 | -35.8 | 176.7 | -176.4 | 58.5 | 177.9 | 175.6 | 0 | 112.3 | K102 K103 Y104 N108 S109 R111 | K102-K106 PolarHBondContact O-N 2.83Å; K102-K106 VanDerWaalsContact O-N 3.16Å; K103-K106 PolarHBondContact O-N 2.82Å; Y104-K106 VanDerWaalsContact C-N 3.25Å; Y104-K106 PolarHBondContact O-N 3Å; K106-N108 VanDerWaalsContact C-N 3.27Å; K106-N108 PolarHBondContact O-N 3.11Å; K106-S109 PolarHBondContact O-N 3.44Å; K106-R111 HydrophobicContact CB-CG 4.09Å; K106-R111 HydrophobicContact CD-CG 4.27Å |
| 107 | R | 95.7 | Very high | 95.7 | Very high | 152 Ų | 152 | 60.6 Ų | 60.6 | 57% | 0.574 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.3 | -37.4 | 176.1 | -177.3 | -175.8 | -179.2 | -177.5 | 0 | 111.6 | K103 Y104 | K103-R107 PolarHBondContact O-N 2.8Å; Y104-R107 WeakPolarHBondContact O-CB 3.32Å; Y104-R107 PolarHBondContact O-N 2.88Å |
| 108 | N | 95.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 63.4 Ų | 63.4 | 31% | 0.31 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 13.3 | -177.7 | -60.9 | -10.1 | 0 | 0 | 0 | 112.8 | Y104 K106 L110 | Y104-N108 VanDerWaalsContact CE2-ND2 3.26Å; Y104-N108 WeakPolarHBondContact CE2-ND2 3.32Å; Y104-N108 PolarHBondContact O-N 2.97Å; Y104-N108 VanDerWaalsContact O-N 3.09Å; Y104-N108 PolarHBondContact OH-ND2 2.82Å; K106-N108 VanDerWaalsContact C-N 3.27Å; K106-N108 PolarHBondContact O-N 3.11Å; N108-L110 HydrophobicContact CB-CD1 4.15Å; N108-L110 HydrophobicContact CB-CG 4.09Å; N108-L110 PolarHBondContact O-N 2.91Å; N108-L110 VanDerWaalsContact O-N 3.09Å |
| 109 | S | 94.4 | Very high | 95.6 | Very high | 80 Ų | 80 | 63.1 Ų | 63.1 | 56% | 0.559 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 25.3 | -178.5 | -57.1 | 0 | 0 | 0 | 0 | 115.5 | L105 K106 R111 W113 | L105-S109 CarbonylContact O-C 3.55Å; L105-S109 PolarHBondContact O-N 2.89Å; K106-S109 PolarHBondContact O-N 3.44Å; S109-R111 VanDerWaalsContact C-N 3.31Å; S109-R111 PolarHBondContact O-N 3.43Å; S109-W113 WeakPolarHBondContact O-CZ3 3.16Å |
| 110 | L | 94.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 9 | -178.4 | -64.2 | 176.2 | 0 | 0 | 0 | 114.1 | I47 M48 L105 N108 D112 W113 L114 | I47-L110 HydrophobicContact CB-CD2 4.46Å; I47-L110 HydrophobicContact CD1-CD2 4.39Å; M48-L110 HydrophobicContact CB-CD1 4.5Å; M48-L110 HydrophobicContact CE-CD1 3.87Å; L105-L110 HydrophobicContact CB-CB 4.36Å; L105-L110 HydrophobicContact CD2-CB 3.66Å; L105-L110 HydrophobicContact CD2-CD1 3.96Å; L105-L110 HydrophobicContact CD2-CG 4.48Å; L105-L110 PolarHBondContact O-N 3.13Å; N108-L110 HydrophobicContact CB-CD1 4.15Å; N108-L110 HydrophobicContact CB-CG 4.09Å; N108-L110 PolarHBondContact O-N 2.91Å; N108-L110 VanDerWaalsContact O-N 3.09Å; L110-D112 VanDerWaalsContact C-N 3.29Å; L110-D112 PolarHBondContact O-N 3.08Å; L110-W113 HydrophobicContact CD2-CE3 3.86Å; L110-W113 HydrophobicContact CD2-CZ3 3.96Å; L110-L114 HydrophobicContact CB-CD1 4.26Å; L110-L114 HydrophobicContact CD1-CD1 4.4Å; L110-L114 PolarHBondContact O-N 2.98Å; L110-L114 VanDerWaalsContact O-N 3.11Å |
| 111 | R | 93 | Very high | 95.4 | Very high | 93 Ų | 93 | 68.8 Ų | 68.8 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -22.2 | -173.4 | -82.1 | -65.6 | -160.2 | 99.7 | 18.8 | 113.9 | K102 L105 K106 S109 F129 | K102-R111 PolarHBondContact O-NE 3.18Å; K102-R111 PolarHBondContact O-NH2 3.42Å; L105-R111 HydrophobicContact CB-CG 4.21Å; K106-R111 HydrophobicContact CB-CG 4.09Å; K106-R111 HydrophobicContact CD-CG 4.27Å; S109-R111 VanDerWaalsContact C-N 3.31Å; S109-R111 PolarHBondContact O-N 3.43Å; R111-F129 WeakPolarHBondContact O-CE2 3.17Å |
| 112 | D | 91 | Very high | 95.3 | Very high | 116 Ų | 116 | 71.8 Ų | 71.8 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -26 | -174.3 | -54.1 | -22.9 | 0 | 0 | 0 | 110.5 | L110 F129 | L110-D112 VanDerWaalsContact C-N 3.29Å; L110-D112 PolarHBondContact O-N 3.08Å; D112-F129 WeakPolarHBondContact O-CD2 3.22Å |
| 113 | W | 92.2 | Very high | 95.3 | Very high | 134 Ų | 134 | 68.8 Ų | 68.8 | 51% | 0.508 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -35.7 | 177.4 | -53.2 | -65.3 | 0 | 0 | 0 | 112.9 | S109 L110 Y128 F129 | S109-W113 WeakPolarHBondContact O-CZ3 3.16Å; L110-W113 HydrophobicContact CD2-CE3 3.86Å; L110-W113 HydrophobicContact CD2-CZ3 3.96Å; W113-Y128 HydrophobicContact CB-CD1 4.09Å; W113-Y128 HydrophobicContact CB-CE1 4.09Å; W113-Y128 CarbonylContact O-C 3.6Å; W113-Y128 VanDerWaalsContact O-CA 3.22Å; W113-Y128 WeakPolarHBondContact O-CA 3.29Å; W113-Y128 WeakPolarHBondContact O-CD1 3.39Å; W113-F129 WeakPolarHBondContact O-CD2 2.99Å; W113-F129 PolarHBondContact O-N 3.06Å |
| 114 | L | 94.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.7 | -168 | -60 | 173.5 | 0 | 0 | 0 | 113.8 | P42 I47 M48 L105 L110 R127 Y128 | P42-L114 HydrophobicContact CB-CD1 3.66Å; P42-L114 HydrophobicContact CB-CD2 4.2Å; P42-L114 HydrophobicContact CG-CD1 4.13Å; P42-L114 HydrophobicContact CG-CD2 4.49Å; I47-L114 HydrophobicContact CD1-CD1 4.01Å; I47-L114 HydrophobicContact CD1-CD2 4.47Å; I47-L114 HydrophobicContact CD1-CG 4.38Å; M48-L114 HydrophobicContact CE-CD1 4.21Å; L105-L114 HydrophobicContact CD1-CB 4.35Å; L105-L114 HydrophobicContact CD2-CB 4.32Å; L105-L114 HydrophobicContact CD2-CD1 3.89Å; L110-L114 HydrophobicContact CB-CD1 4.26Å; L110-L114 HydrophobicContact CD1-CD1 4.4Å; L110-L114 PolarHBondContact O-N 2.98Å; L110-L114 VanDerWaalsContact O-N 3.11Å; L114-R127 WeakPolarHBondContact CA-O 3.29Å; L114-Y128 HydrophobicContact CD2-CD1 3.66Å; L114-Y128 HydrophobicContact CD2-CD2 4.48Å; L114-Y128 HydrophobicContact CD2-CE1 3.57Å; L114-Y128 HydrophobicContact CD2-CE2 4.43Å; L114-Y128 HydrophobicContact CD2-CG 4.12Å; L114-Y128 HydrophobicContact CG-CE1 4.4Å |
| 115 | R | 94.8 | Very high | 95.3 | Very high | 74 Ų | 74 | 67.6 Ų | 67.6 | 28% | 0.279 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 141.5 | 167.6 | 61.4 | 170.9 | -169.8 | -78.7 | 2.5 | 112.6 | V117 R127 Y128 F129 | R115-V117 HydrophobicContact CG-CG2 3.78Å; R115-R127 HydrophobicContact CG-CB 4.26Å; R115-R127 WeakPolarHBondContact CG-O 3.4Å; R115-R127 PolarHBondContact N-O 3.13Å; R115-R127 PolarHBondContact O-N 3.25Å; R115-Y128 PolarHBondContact NH1-O 3.09Å; R115-F129 HydrophobicContact CB-CE1 4.09Å; R115-F129 HydrophobicContact CB-CE2 4.22Å; R115-F129 HydrophobicContact CB-CZ 3.78Å; R115-F129 HydrophobicContact CG-CE1 4.33Å; R115-F129 HydrophobicContact CG-CZ 4.43Å |
| 116 | V | 96.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 67.9 Ų | 67.9 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 109.5 | 174.6 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | K98 T101 K102 L105 Y124 L126 | K98-V116 HydrophobicContact CG-CB 4.41Å; K98-V116 HydrophobicContact CG-CG1 4.11Å; T101-V116 WeakPolarHBondContact OG1-CG2 3.42Å; K102-V116 HydrophobicContact CG-CG2 4.01Å; L105-V116 HydrophobicContact CD1-CG2 3.81Å; V116-Y124 HydrophobicContact CG1-CD1 4.02Å; V116-Y124 HydrophobicContact CG1-CG 3.98Å; V116-L126 HydrophobicContact CB-CD2 4.32Å; V116-L126 HydrophobicContact CG1-CD2 4.5Å; V116-L126 HydrophobicContact CG2-CD2 3.66Å |
| 117 | V | 96.2 | Very high | 95.1 | Very high | 39 Ų | 39 | 65.7 Ų | 65.7 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.5 | -176 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | R115 S119 Y124 E125 R127 | R115-V117 HydrophobicContact CG-CG2 3.78Å; V117-S119 PolarHBondContact O-N 3.22Å; V117-Y124 CarbonylContact O-C 3.57Å; V117-Y124 VanDerWaalsContact O-CA 3.32Å; V117-Y124 WeakPolarHBondContact O-CA 3.29Å; V117-Y124 WeakPolarHBondContact O-CD1 2.83Å; V117-E125 PolarHBondContact N-O 3.5Å; V117-E125 PolarHBondContact O-N 3.14Å; V117-R127 HydrophobicContact CG2-CB 4.37Å; V117-R127 HydrophobicContact CG2-CG 4.41Å |
| 118 | A | 97.2 | Very high | 95.1 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 116.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109 | Y124 | A118-Y124 HydrophobicContact CB-CD1 3.97Å; A118-Y124 HydrophobicContact CB-CE1 3.84Å |
| 119 | S | 95.5 | Very high | 94.8 | Very high | 64 Ų | 64 | 63.5 Ų | 63.5 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -84.9 | -42.2 | 175.8 | 178 | 0 | 0 | 0 | 0 | 111.1 | V117 T123 | V117-S119 PolarHBondContact O-N 3.22Å; S119-T123 PolarHBondContact N-O 2.92Å; S119-T123 VanDerWaalsContact N-O 3.13Å |
| 120 | S | 95.7 | Very high | 94.3 | Very high | 58 Ų | 58 | 67.4 Ų | 67.4 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -135.6 | -178.1 | 175 | 76.6 | 0 | 0 | 0 | 0 | 110.8 | K94 D122 T123 | K94-S120 PolarHBondContact NZ-O 2.83Å; S120-D122 PolarHBondContact O-N 3.18Å; S120-D122 PolarHBondContact OG-N 3.37Å; S120-T123 PolarHBondContact N-O 3Å; S120-T123 WeakPolarHBondContact OG-CB 3.22Å; S120-T123 PolarHBondContact OG-N 3.24Å; S120-T123 VanDerWaalsContact OG-N 3.08Å; S120-T123 PolarHBondContact OG-OG1 2.82Å; S120-T123 VanDerWaalsContact OG-OG1 3.06Å |
| 121 | K | 94.9 | Very high | 93.2 | Very high | 184 Ų | 184 | 73.2 Ų | 73.2 | 80% | 0.8 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -54.7 | -41.5 | 175.6 | -173.2 | 178.1 | 178 | -178.2 | 0 | 112 | K94 | K94-K121 WeakPolarHBondContact CD-O 3.35Å; K94-K121 WeakPolarHBondContact CE-O 3.37Å; K94-K121 PolarHBondContact NZ-O 2.71Å |
| 122 | D | 95.3 | Very high | 92.1 | Very high | 69 Ų | 69 | 73.9 Ų | 73.9 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -109 | -2.2 | -172.8 | -57.9 | -42.4 | 0 | 0 | 0 | 114 | Y35 N36 S120 | Y35-D122 WeakPolarHBondContact CA-O 3.41Å; Y35-D122 HydrophobicContact CD1-CB 4.09Å; Y35-D122 HydrophobicContact CE1-CB 4.48Å; N36-D122 PolarHBondContact N-O 3.22Å; S120-D122 PolarHBondContact O-N 3.18Å; S120-D122 PolarHBondContact OG-N 3.37Å |
| 123 | T | 97.2 | Very high | 90.7 | Very high | 14 Ų | 14 | 77 Ų | 77 | 9% | 0.086 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134 | -177.5 | -54 | 0 | 0 | 0 | 0 | 112.5 | N36 E38 K94 S119 S120 | N36-T123 HydrophobicContact CB-CG2 4.02Å; N36-T123 CarbonylContact O-C 3.57Å; N36-T123 WeakPolarHBondContact O-CA 3.19Å; E38-T123 HydrophobicContact CG-CG2 3.75Å; K94-T123 WeakPolarHBondContact CE-O 3.45Å; K94-T123 PolarHBondContact NZ-O 3.09Å; S119-T123 PolarHBondContact N-O 2.92Å; S119-T123 VanDerWaalsContact N-O 3.13Å; S120-T123 PolarHBondContact N-O 3Å; S120-T123 WeakPolarHBondContact OG-CB 3.22Å; S120-T123 PolarHBondContact OG-N 3.24Å; S120-T123 VanDerWaalsContact OG-N 3.08Å; S120-T123 PolarHBondContact OG-OG1 2.82Å; S120-T123 VanDerWaalsContact OG-OG1 3.06Å |
| 124 | Y | 97.9 | Very high | 89.3 | Confident | 23 Ų | 23 | 77.3 Ų | 77.3 | 9% | 0.09 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 154.6 | 158.1 | -70.7 | -65 | 0 | 0 | 0 | 110.5 | N36 L37 E38 K94 L97 K98 V116 V117 A118 | N36-Y124 PolarHBondContact O-N 2.71Å; L37-Y124 HydrophobicContact CD2-CD2 3.86Å; L37-Y124 HydrophobicContact CD2-CG 4.28Å; E38-Y124 PolarHBondContact N-O 2.93Å; K94-Y124 HydrophobicContact CB-CE2 4.43Å; K94-Y124 HydrophobicContact CD-CD2 4.4Å; K94-Y124 HydrophobicContact CD-CE2 3.94Å; K94-Y124 HydrophobicContact CG-CD2 3.91Å; K94-Y124 HydrophobicContact CG-CE2 3.22Å; K94-Y124 VanDerWaalsContact O-CE2 3.3Å; K94-Y124 WeakPolarHBondContact O-CE2 3.46Å; L97-Y124 HydrophobicContact CB-CE2 4.49Å; K98-Y124 HydrophobicContact CB-CD2 4.46Å; K98-Y124 HydrophobicContact CB-CE1 4.32Å; K98-Y124 HydrophobicContact CB-CE2 3.66Å; K98-Y124 HydrophobicContact CD-CE1 4.06Å; V116-Y124 HydrophobicContact CG1-CD1 4.02Å; V116-Y124 HydrophobicContact CG1-CG 3.98Å; V117-Y124 CarbonylContact O-C 3.57Å; V117-Y124 VanDerWaalsContact O-CA 3.32Å; V117-Y124 WeakPolarHBondContact O-CA 3.29Å; V117-Y124 WeakPolarHBondContact O-CD1 2.83Å; A118-Y124 HydrophobicContact CB-CD1 3.97Å; A118-Y124 HydrophobicContact CB-CE1 3.84Å |
| 125 | E | 96.2 | Very high | 87.6 | Confident | 35 Ų | 35 | 84.2 Ų | 84.2 | 16% | 0.164 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140.3 | 177.7 | -169.6 | -168.5 | 142.2 | 0 | 0 | 108.6 | E38 V117 R127 | E38-E125 HydrophobicContact CB-CB 4.47Å; E38-E125 HydrophobicContact CB-CG 4.29Å; E38-E125 WeakPolarHBondContact O-CA 3.25Å; V117-E125 PolarHBondContact N-O 3.5Å; V117-E125 PolarHBondContact O-N 3.14Å; E125-R127 HydrophobicContact CG-CG 4.21Å; E125-R127 WeakPolarHBondContact OE1-CG 3.43Å; E125-R127 IonicContact OE1-CZ 3.41Å; E125-R127 IonicContact OE1-NE 2.68Å; E125-R127 PolarHBondContact OE1-NE 2.57Å; E125-R127 IonicContact OE1-NH2 2.78Å; E125-R127 IonicContact OE2-CZ 2.71Å; E125-R127 IonicContact OE2-NE 2.89Å; E125-R127 PolarHBondContact OE2-NE 3.35Å; E125-R127 VanDerWaalsContact OE2-NE 3.14Å; E125-R127 IonicContact OE2-NH2 2.93Å; E125-R127 PolarHBondContact OE2-NH2 3.21Å |
| 126 | L | 95.9 | Very high | 85.8 | Confident | 6 Ų | 6 | 89.4 Ų | 89.4 | 3% | 0.031 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 118 | 169.2 | -62.3 | -176.5 | 0 | 0 | 0 | 109.1 | E38 C39 P42 M48 L105 V116 | E38-L126 PolarHBondContact O-N 2.78Å; C39-L126 HydrophobicContact CB-CD1 4.06Å; P42-L126 HydrophobicContact CG-CB 4.09Å; P42-L126 HydrophobicContact CG-CD1 3.88Å; M48-L126 HydrophobicContact CE-CD1 3.52Å; M48-L126 HydrophobicContact SD-CD1 3.73Å; L105-L126 HydrophobicContact CD1-CD2 4.18Å; V116-L126 HydrophobicContact CB-CD2 4.32Å; V116-L126 HydrophobicContact CG1-CD2 4.5Å; V116-L126 HydrophobicContact CG2-CD2 3.66Å |
| 127 | R | 94 | Very high | 83.9 | Confident | 98 Ų | 98 | 96.7 Ų | 96.7 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 143.3 | -180 | -65.8 | -168.6 | 177.2 | -179.1 | 6 | 111.2 | L114 R115 V117 E125 | L114-R127 WeakPolarHBondContact CA-O 3.29Å; R115-R127 HydrophobicContact CG-CB 4.26Å; R115-R127 WeakPolarHBondContact CG-O 3.4Å; R115-R127 PolarHBondContact N-O 3.13Å; R115-R127 PolarHBondContact O-N 3.25Å; V117-R127 HydrophobicContact CG2-CB 4.37Å; V117-R127 HydrophobicContact CG2-CG 4.41Å; E125-R127 HydrophobicContact CG-CG 4.21Å; E125-R127 WeakPolarHBondContact OE1-CG 3.43Å; E125-R127 IonicContact OE1-CZ 3.41Å; E125-R127 IonicContact OE1-NE 2.68Å; E125-R127 PolarHBondContact OE1-NE 2.57Å; E125-R127 IonicContact OE1-NH2 2.78Å; E125-R127 IonicContact OE2-CZ 2.71Å; E125-R127 IonicContact OE2-NE 2.89Å; E125-R127 PolarHBondContact OE2-NE 3.35Å; E125-R127 VanDerWaalsContact OE2-NE 3.14Å; E125-R127 IonicContact OE2-NH2 2.93Å; E125-R127 PolarHBondContact OE2-NH2 3.21Å |
| 128 | Y | 94 | Very high | 81.8 | Confident | 71 Ų | 71 | 99.8 Ų | 99.8 | 28% | 0.278 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 148.5 | 170.1 | -74.4 | -73 | 0 | 0 | 0 | 112 | N41 D45 I47 W113 L114 R115 | N41-Y128 HydrophobicContact CB-CD2 4.2Å; N41-Y128 HydrophobicContact CB-CE2 3.84Å; D45-Y128 WeakPolarHBondContact OD2-CE2 3.43Å; D45-Y128 VanDerWaalsContact OD2-CZ 3.25Å; D45-Y128 PolarHBondContact OD2-OH 2.94Å; I47-Y128 HydrophobicContact CD1-CE1 3.95Å; I47-Y128 WeakPolarHBondContact CD1-OH 3.21Å; W113-Y128 HydrophobicContact CB-CD1 4.09Å; W113-Y128 HydrophobicContact CB-CE1 4.09Å; W113-Y128 CarbonylContact O-C 3.6Å; W113-Y128 VanDerWaalsContact O-CA 3.22Å; W113-Y128 WeakPolarHBondContact O-CA 3.29Å; W113-Y128 WeakPolarHBondContact O-CD1 3.39Å; L114-Y128 HydrophobicContact CD2-CD1 3.66Å; L114-Y128 HydrophobicContact CD2-CD2 4.48Å; L114-Y128 HydrophobicContact CD2-CE1 3.57Å; L114-Y128 HydrophobicContact CD2-CE2 4.43Å; L114-Y128 HydrophobicContact CD2-CG 4.12Å; L114-Y128 HydrophobicContact CG-CE1 4.4Å; R115-Y128 PolarHBondContact NH1-O 3.09Å |
| 129 | F | 90.4 | Very high | 79.7 | Confident | 93 Ų | 93 | 102.5 Ų | 102.5 | 41% | 0.408 | 54% | 0.535 | S | S | . | . | trans | -61.6 | 134.2 | 160.3 | -67.7 | -79.8 | 0 | 0 | 0 | 109.9 | R111 D112 W113 R115 I131 | R111-F129 WeakPolarHBondContact O-CE2 3.17Å; D112-F129 WeakPolarHBondContact O-CD2 3.22Å; W113-F129 WeakPolarHBondContact O-CD2 2.99Å; W113-F129 PolarHBondContact O-N 3.06Å; R115-F129 HydrophobicContact CB-CE1 4.09Å; R115-F129 HydrophobicContact CB-CE2 4.22Å; R115-F129 HydrophobicContact CB-CZ 3.78Å; R115-F129 HydrophobicContact CG-CE1 4.33Å; R115-F129 HydrophobicContact CG-CZ 4.43Å; F129-I131 HydrophobicContact CB-CG1 4.26Å; F129-I131 PolarHBondContact O-N 2.85Å | ||
| 130 | Q | 82.2 | Confident | 77.8 | Confident | 163 Ų | 163 | 107 Ų | 107 | 76% | 0.762 | 56% | 0.555 | S | S | * | * | trans | -84.3 | 95.5 | 166.3 | -70.6 | 166.6 | -56.3 | 0 | 0 | 104 | N132 | Q130-N132 PolarHBondContact O-N 3.21Š| ||
| 131 | I | 73.3 | Confident | 75.9 | Confident | 133 Ų | 133 | 111.4 Ų | 111.4 | 68% | 0.682 | 57% | 0.573 | S | S | * | * | trans | -80.7 | 97.1 | 172.9 | -56.7 | 173.2 | 0 | 0 | 0 | 104.5 | F129 | F129-I131 HydrophobicContact CB-CG1 4.26Å; F129-I131 PolarHBondContact O-N 2.85Å | ||
| 132 | N | 69.7 | Low | 74.1 | Confident | 107 Ų | 107 | 112.2 Ų | 112.2 | 57% | 0.572 | 58% | 0.58 | S | S | * | * | trans | -68.5 | 132.2 | 158.4 | -66.4 | -0.1 | 0 | 0 | 0 | 104.9 | Q130 D134 | Q130-N132 PolarHBondContact O-N 3.21Å; N132-D134 PolarHBondContact O-N 3.29Å | ||
| 133 | Q | 61.3 | Low | 72.4 | Confident | 180 Ų | 180 | 117.7 Ų | 117.7 | 84% | 0.841 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 7.1 | -177.3 | -82.1 | 175.1 | -17 | 0 | 0 | 114.1 | ||
| 134 | D | 62.8 | Low | 71.2 | Confident | 141 Ų | 141 | 122.9 Ų | 122.9 | 75% | 0.754 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 0.5 | -170.6 | -59 | -39.8 | 0 | 0 | 0 | 114.6 | N132 | N132-D134 PolarHBondContact O-N 3.29Š|
| 135 | D | 58.9 | Low | 69.8 | Low | 148 Ų | 148 | 128.1 Ų | 128.1 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | trans | -96.4 | 11 | -178.4 | -82.1 | -39.6 | 0 | 0 | 0 | 114.1 | ||||
| 136 | E | 56.6 | Low | 68.3 | Low | 182 Ų | 182 | 133.3 Ų | 133.3 | 85% | 0.85 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 1.9 | -176.3 | -141.8 | 167.4 | -171.7 | 0 | 0 | 114.6 | ||
| 137 | D | 56.3 | Low | 66.7 | Low | 163 Ų | 163 | 140.8 Ų | 140.8 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 18.9 | -170.6 | -79.8 | -37.1 | 0 | 0 | 0 | 117 | ||
| 138 | A | 53.6 | Low | 65 | Low | 103 Ų | 103 | 143.4 Ų | 143.4 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -112.6 | 22.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 139 | S | 51.7 | Low | 63 | Low | 117 Ų | 117 | 148.3 Ų | 148.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -127.5 | 56.6 | 179.1 | -174.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 140 | D | 55.3 | Low | 61.1 | Low | 160 Ų | 160 | 152.2 Ų | 152.2 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | -165.3 | 78.8 | 158.9 | -155.9 | 44.8 | 0 | 0 | 0 | 112.7 | ||||
| 141 | N | 55.7 | Low | 59.5 | Low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | -174 | 91.2 | 146.8 | -130.4 | -18.1 | 0 | 0 | 0 | 112.4 | ||||
| 142 | E | 57.2 | Low | 58.3 | Low | 201 Ų | 201 | 152.9 Ų | 152.9 | 94% | 0.939 | 85% | 0.852 | S | S | * | * | trans | -125.3 | 96.8 | 153 | -161.9 | 167.3 | 126 | 0 | 0 | 106.5 | ||||
| 143 | S | 60.6 | Low | 57.3 | Low | 184 Ų | 184 | 157.1 Ų | 157.1 | 100% | 1.287 | 88% | 0.878 | S | S | * | * | trans | -152.6 | 0 | 168.8 | -69.7 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 143 of 143 residues in 418.6 ms
(Link to these results)