| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.9 | Very low | 33.2 | Very low | 242 Ų | 242 | 158.6 Ų | 158.6 | 100% | 1.192 | 86% | 0.857 | S | S | * | * | 0 | 154 | 0 | -74.2 | -174.2 | -85 | 0 | 0 | 108.7 | |||||
| 2 | A | 35.6 | Very low | 33 | Very low | 110 Ų | 110 | 154.5 Ų | 154.5 | 91% | 0.909 | 85% | 0.847 | S | S | * | * | trans | 33.8 | 112.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | G | 36.4 | Very low | 32.9 | Very low | 77 Ų | 77 | 154.1 Ų | 154.1 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | S | Bend | trans | 171.7 | -27.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 4 | I | 35.6 | Very low | 33.1 | Very low | 164 Ų | 164 | 157.2 Ų | 157.2 | 84% | 0.841 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -114.9 | 1.7 | -165.6 | -53.6 | -179.2 | 0 | 0 | 0 | 113.2 | Y6 | I4-Y6 PolarHBondContact O-N 3.06Š|
| 5 | F | 31.9 | Very low | 33 | Very low | 191 Ų | 191 | 152 Ų | 152 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 8.2 | -170.5 | -101.7 | -82.5 | 0 | 0 | 0 | 116.7 | ||
| 6 | Y | 33.1 | Very low | 33 | Very low | 221 Ų | 221 | 150.4 Ų | 150.4 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 7.2 | -168.5 | -109.1 | -80.9 | 0 | 0 | 0 | 116.8 | I4 | I4-Y6 PolarHBondContact O-N 3.06Š|
| 7 | F | 32.6 | Very low | 32.9 | Very low | 202 Ų | 202 | 148.9 Ų | 148.9 | 89% | 0.886 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -116.1 | 0.4 | -179.8 | -103.7 | -84.6 | 0 | 0 | 0 | 115.5 | ||
| 8 | A | 31.4 | Very low | 32.7 | Very low | 86 Ų | 86 | 148.1 Ų | 148.1 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -107.2 | 13.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 9 | L | 32.3 | Very low | 32.5 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 73% | 0.728 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -129.9 | 6.9 | -166.4 | -110.6 | 161.7 | 0 | 0 | 0 | 115.5 | ||
| 10 | F | 29.5 | Very low | 32.5 | Very low | 201 Ų | 201 | 144.4 Ų | 144.4 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -107.5 | -10 | 178.9 | -127.2 | -93.5 | 0 | 0 | 0 | 114.6 | ||
| 11 | S | 30.2 | Very low | 32.6 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 8.1 | -175.7 | -48.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 12 | C | 30.2 | Very low | 32.6 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 14.4 | -170.4 | -60.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 13 | L | 32 | Very low | 33.2 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -119.3 | -1.4 | -174.5 | -88.8 | 165.7 | 0 | 0 | 0 | 115.9 | ||
| 14 | F | 35.3 | Very low | 34.4 | Very low | 198 Ų | 198 | 134.5 Ų | 134.5 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | -119.3 | 77.8 | 165.5 | -80.7 | -81 | 0 | 0 | 0 | 109.9 | I16 | F14-I16 VanDerWaalsContact C-N 3.35Å; F14-I16 PolarHBondContact O-N 3.03Å | ||
| 15 | G | 32.8 | Very low | 36 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | trans | -74.2 | 85.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 16 | I | 33 | Very low | 38.3 | Very low | 127 Ų | 127 | 128 Ų | 128 | 65% | 0.651 | 73% | 0.733 | S | S | * | * | trans | -85.8 | 117.8 | 156.6 | -61.1 | 180 | 0 | 0 | 0 | 106.4 | F14 D18 | F14-I16 VanDerWaalsContact C-N 3.35Å; F14-I16 PolarHBondContact O-N 3.03Å; I16-D18 PolarHBondContact O-N 3.24Å | ||
| 17 | C | 31.1 | Very low | 40.9 | Very low | 125 Ų | 125 | 120.5 Ų | 120.5 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | trans | -79.7 | 66.9 | 176.5 | -70 | 0 | 0 | 0 | 0 | 110.8 | A19 | C17-A19 PolarHBondContact O-N 3.14Š| ||
| 18 | D | 28.1 | Very low | 43.5 | Very low | 133 Ų | 133 | 114.4 Ų | 114.4 | 71% | 0.711 | 70% | 0.698 | S | S | * | * | trans | -70.1 | 77.7 | 165.2 | -73.1 | -30 | 0 | 0 | 0 | 109 | I16 V20 | I16-D18 PolarHBondContact O-N 3.24Å; D18-V20 PolarHBondContact O-N 2.74Å | ||
| 19 | A | 29 | Very low | 46.4 | Very low | 80 Ų | 80 | 111.7 Ų | 111.7 | 66% | 0.661 | 67% | 0.672 | S | S | * | * | trans | -58.6 | 117 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | C17 T21 | C17-A19 PolarHBondContact O-N 3.14Å; A19-T21 PolarHBondContact O-N 2.89Å | ||
| 20 | V | 33.1 | Very low | 49.3 | Very low | 143 Ų | 143 | 106.8 Ų | 106.8 | 87% | 0.867 | 65% | 0.645 | S | S | * | * | trans | -73.5 | 75.9 | -171.2 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | D18 G22 | D18-V20 PolarHBondContact O-N 2.74Å; V20-G22 PolarHBondContact O-N 2.64Å | ||
| 21 | T | 35.3 | Very low | 52.4 | Low | 106 Ų | 106 | 99 Ų | 99 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | trans | -63.6 | 122.5 | 152.8 | 51.2 | 0 | 0 | 0 | 0 | 107.3 | A19 S23 | A19-T21 PolarHBondContact O-N 2.89Å; T21-S23 PolarHBondContact O-N 3Å | ||
| 22 | G | 36.5 | Very low | 55.4 | Low | 72 Ų | 72 | 96.1 Ų | 96.1 | 74% | 0.742 | 59% | 0.592 | S | S | * | * | trans | -69.6 | 74.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V20 R24 | V20-G22 PolarHBondContact O-N 2.64Å; G22-R24 PolarHBondContact O-N 2.92Å | ||
| 23 | S | 47.5 | Very low | 58.5 | Low | 103 Ų | 103 | 92.5 Ų | 92.5 | 72% | 0.72 | 57% | 0.565 | S | S | * | * | trans | -57.5 | 126.7 | 179 | -172 | 0 | 0 | 0 | 0 | 110.4 | T21 V25 | T21-S23 PolarHBondContact O-N 3Å; S23-V25 PolarHBondContact O-N 3Å | ||
| 24 | R | 62.2 | Low | 61.4 | Low | 84 Ų | 84 | 87.1 Ų | 87.1 | 32% | 0.317 | 54% | 0.537 | S | S | . | . | trans | -75.2 | 118.2 | 179.8 | -68.3 | 175.4 | 172.3 | -168.2 | -5.9 | 108.4 | G22 Y26 D35 D61 | G22-R24 PolarHBondContact O-N 2.92Å; R24-Y26 HydrophobicContact CB-CE2 3.8Å; R24-Y26 VanDerWaalsContact O-CD2 3.23Å; R24-Y26 WeakPolarHBondContact O-CD2 3.24Å; R24-Y26 WeakPolarHBondContact O-CE2 3.5Å; R24-Y26 PolarHBondContact O-N 3.38Å; R24-D35 IonicContact NH1-OD2 3.59Å; R24-D61 IonicContact NH2-OD2 2.76Å; R24-D61 PolarHBondContact NH2-OD2 2.95Å | ||
| 25 | V | 68 | Low | 64 | Low | 145 Ų | 145 | 77.9 Ų | 77.9 | 88% | 0.879 | 50% | 0.497 | S | S | * | . | trans | -77.2 | 108.8 | -178.8 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | S23 | S23-V25 PolarHBondContact O-N 3Š| ||
| 26 | Y | 81.9 | Confident | 66.7 | Low | 73 Ų | 73 | 74.3 Ų | 74.3 | 29% | 0.286 | 46% | 0.459 | S | S | . | . | trans | -92.7 | 161.6 | 171.9 | -64.9 | -71.2 | 0 | 0 | 0 | 111.2 | R24 D35 R198 | R24-Y26 HydrophobicContact CB-CE2 3.8Å; R24-Y26 VanDerWaalsContact O-CD2 3.23Å; R24-Y26 WeakPolarHBondContact O-CD2 3.24Å; R24-Y26 WeakPolarHBondContact O-CE2 3.5Å; R24-Y26 PolarHBondContact O-N 3.38Å; Y26-D35 PolarHBondContact OH-OD2 2.85Å; Y26-D35 VanDerWaalsContact OH-OD2 3.06Å; Y26-R198 VanDerWaalsContact CD1-NH1 3.28Å; Y26-R198 VanDerWaalsContact CE1-CD 3.43Å | ||
| 27 | P | 86.7 | Confident | 69 | Low | 64 Ų | 64 | 71.1 Ų | 71.1 | 42% | 0.416 | 44% | 0.439 | S | S | . | . | trans | -56.3 | 143.6 | 174.9 | -25.7 | 36 | 0 | 0 | 0 | 113 | N29 E30 | P27-N29 WeakPolarHBondContact CB-OD1 3.42Å; P27-N29 PolarHBondContact O-N 3.21Å; P27-N29 VanDerWaalsContact O-N 3.15Å; P27-E30 HydrophobicContact CB-CG 4.2Å; P27-E30 HydrophobicContact CG-CG 4.41Å; P27-E30 PolarHBondContact O-N 3.43Å | ||
| 28 | A | 87.3 | Confident | 71.2 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 62% | 0.62 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -16.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K203 | A28-K203 VanDerWaalsContact O-CE 3.26Å; A28-K203 WeakPolarHBondContact O-CE 3.33Å |
| 29 | N | 92.1 | Very high | 73.3 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 15% | 0.15 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -1.8 | 172.8 | 62.6 | -35.8 | 0 | 0 | 0 | 113.5 | P27 K202 K203 D250 | P27-N29 WeakPolarHBondContact CB-OD1 3.42Å; P27-N29 PolarHBondContact O-N 3.21Å; P27-N29 VanDerWaalsContact O-N 3.15Å; N29-K202 CarbonylContact O-C 3.6Å; N29-K202 VanDerWaalsContact O-CA 3.27Å; N29-K202 WeakPolarHBondContact O-CA 3.41Å; N29-K203 WeakPolarHBondContact CA-O 3.35Å; N29-K203 WeakPolarHBondContact CB-O 3.27Å; N29-K203 PolarHBondContact O-N 3.05Å; N29-D250 PolarHBondContact ND2-O 2.96Å |
| 30 | E | 93.8 | Very high | 74.7 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 17% | 0.168 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 141.8 | 177.4 | -64.4 | -173.4 | 171.4 | 0 | 0 | 111.6 | P27 R198 F200 | P27-E30 HydrophobicContact CB-CG 4.2Å; P27-E30 HydrophobicContact CG-CG 4.41Å; P27-E30 PolarHBondContact O-N 3.43Å; E30-R198 IonicContact OE1-NH2 2.81Å; E30-R198 IonicContact OE2-CZ 2.59Å; E30-R198 VanDerWaalsContact OE2-CZ 3.24Å; E30-R198 IonicContact OE2-NH1 2.62Å; E30-R198 PolarHBondContact OE2-NH1 2.91Å; E30-R198 IonicContact OE2-NH2 2.74Å; E30-R198 PolarHBondContact OE2-NH2 2.61Å; E30-F200 HydrophobicContact CB-CD2 3.93Å; E30-F200 HydrophobicContact CB-CE2 4.39Å; E30-F200 HydrophobicContact CG-CD2 3.75Å; E30-F200 HydrophobicContact CG-CE2 3.71Å; E30-F200 WeakPolarHBondContact OE1-CE2 3.44Å |
| 31 | V | 93.9 | Very high | 76.2 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 109.6 | 174 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | F200 Y201 K203 | V31-F200 CarbonylContact O-C 3.56Å; V31-F200 WeakPolarHBondContact O-CA 3.41Å; V31-F200 WeakPolarHBondContact O-CB 3.37Å; V31-Y201 HydrophobicContact CB-CD1 3.97Å; V31-Y201 HydrophobicContact CB-CD2 4.46Å; V31-Y201 HydrophobicContact CB-CE1 3.55Å; V31-Y201 HydrophobicContact CB-CE2 4.06Å; V31-Y201 HydrophobicContact CB-CG 4.42Å; V31-Y201 HydrophobicContact CG1-CD1 4.27Å; V31-Y201 HydrophobicContact CG1-CE1 3.5Å; V31-Y201 VanDerWaalsContact CG1-CE1 3.5Å; V31-Y201 HydrophobicContact CG2-CE1 4.38Å; V31-Y201 HydrophobicContact CG2-CE2 4.12Å; V31-Y201 PolarHBondContact N-O 3.4Å; V31-Y201 PolarHBondContact O-N 3.22Å; V31-K203 HydrophobicContact CG2-CD 3.83Å; V31-K203 HydrophobicContact CG2-CG 4.17Å |
| 32 | T | 94.1 | Very high | 77.5 | Confident | 51 Ų | 51 | 67.5 Ų | 67.5 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 126.7 | -179.5 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | L34 D35 R198 | T32-L34 VanDerWaalsContact CG2-C 3.5Å; T32-L34 VanDerWaalsContact CG2-O 3.32Å; T32-L34 WeakPolarHBondContact CG2-O 3.49Å; T32-D35 HydrophobicContact CG2-CB 4.15Å; T32-R198 HydrophobicContact CG2-CG 4.08Å |
| 33 | L | 93.9 | Very high | 79 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 17% | 0.173 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -29 | 171.3 | -59.3 | 175 | 0 | 0 | 0 | 111.7 | I89 E92 V97 F181 V199 Y201 | L33-I89 HydrophobicContact CB-CG2 3.68Å; L33-I89 HydrophobicContact CD1-CG2 4.38Å; L33-E92 HydrophobicContact CD2-CG 4.09Å; L33-V97 HydrophobicContact CD1-CG1 4Å; L33-V97 HydrophobicContact CD1-CG2 4.05Å; L33-F181 HydrophobicContact CD1-CE1 4.49Å; L33-V199 PolarHBondContact N-O 3.26Å; L33-Y201 HydrophobicContact CD1-CD1 4.13Å; L33-Y201 HydrophobicContact CD2-CD1 3.75Å; L33-Y201 HydrophobicContact CD2-CE1 3.84Å; L33-Y201 HydrophobicContact CG-CD1 3.96Å |
| 34 | L | 93 | Very high | 80.5 | Confident | 35 Ų | 35 | 61.7 Ų | 61.7 | 18% | 0.183 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 138.2 | 175.4 | 177.7 | 63.5 | 0 | 0 | 0 | 109.9 | T32 W45 T86 I89 R198 V199 | T32-L34 VanDerWaalsContact CG2-C 3.5Å; T32-L34 VanDerWaalsContact CG2-O 3.32Å; T32-L34 WeakPolarHBondContact CG2-O 3.49Å; L34-W45 HydrophobicContact CD2-CZ2 4.12Å; L34-T86 HydrophobicContact CD2-CG2 4.4Å; L34-I89 HydrophobicContact CB-CD1 4.3Å; L34-I89 HydrophobicContact CD2-CD1 3.63Å; L34-I89 HydrophobicContact CD2-CG1 4.19Å; L34-R198 CarbonylContact O-C 3.59Å; L34-R198 VanDerWaalsContact O-CA 3.26Å; L34-R198 WeakPolarHBondContact O-CA 3.49Å; L34-R198 WeakPolarHBondContact O-CG 3.4Å; L34-V199 HydrophobicContact CB-CB 4.05Å; L34-V199 HydrophobicContact CB-CG2 4.13Å; L34-V199 HydrophobicContact CD2-CG2 4.22Å; L34-V199 PolarHBondContact N-O 2.81Å; L34-V199 VanDerWaalsContact N-O 3.08Å; L34-V199 PolarHBondContact O-N 3.45Å |
| 35 | D | 91.5 | Very high | 81.9 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.027 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 114.3 | 160.3 | 170.3 | 22.8 | 0 | 0 | 0 | 108 | R24 Y26 T32 R37 S38 R198 | R24-D35 IonicContact NH1-OD2 3.59Å; Y26-D35 PolarHBondContact OH-OD2 2.85Å; Y26-D35 VanDerWaalsContact OH-OD2 3.06Å; T32-D35 HydrophobicContact CG2-CB 4.15Å; D35-R37 PolarHBondContact O-N 2.92Å; D35-R37 VanDerWaalsContact O-N 3.15Å; D35-R37 PolarHBondContact OD1-N 2.83Å; D35-S38 WeakPolarHBondContact O-CB 3.47Å; D35-S38 PolarHBondContact O-N 3.47Å; D35-S38 PolarHBondContact O-OG 2.95Å; D35-S38 PolarHBondContact OD2-N 2.83Å; D35-R198 HydrophobicContact CB-CG 4.26Å |
| 36 | S | 88.9 | Confident | 83 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.028 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -57.6 | -29.8 | 179.3 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | S38 L43 S196 V197 | S36-S38 VanDerWaalsContact C-N 3.3Å; S36-S38 PolarHBondContact O-N 3.41Å; S36-L43 WeakPolarHBondContact O-CD1 3.44Å; S36-S196 VanDerWaalsContact OG-CA 3.27Å; S36-S196 WeakPolarHBondContact OG-CA 3.34Å; S36-V197 PolarHBondContact N-O 2.81Å; S36-V197 PolarHBondContact OG-N 2.94Å |
| 37 | R | 82.2 | Confident | 83.6 | Confident | 60 Ų | 60 | 51.3 Ų | 51.3 | 23% | 0.226 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -87.2 | 4.9 | 179.6 | -65.7 | -177.9 | -67.3 | -175.1 | -16.5 | 113.9 | D35 I67 S196 | D35-R37 PolarHBondContact O-N 2.92Å; D35-R37 VanDerWaalsContact O-N 3.15Å; D35-R37 PolarHBondContact OD1-N 2.83Å; R37-I67 HydrophobicContact CB-CG2 4.27Å; R37-I67 HydrophobicContact CG-CB 4.25Å; R37-I67 HydrophobicContact CG-CD1 4.36Å; R37-I67 HydrophobicContact CG-CG2 3.97Å; R37-S196 PolarHBondContact NE-OG 3.35Å; R37-S196 PolarHBondContact NH2-OG 3.29Å |
| 38 | S | 76.3 | Confident | 83.9 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 54% | 0.538 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -95.1 | -17.9 | 168.6 | 74.8 | 0 | 0 | 0 | 0 | 113.2 | D35 S36 Q40 | D35-S38 WeakPolarHBondContact O-CB 3.47Å; D35-S38 PolarHBondContact O-N 3.47Å; D35-S38 PolarHBondContact O-OG 2.95Å; D35-S38 PolarHBondContact OD2-N 2.83Å; S36-S38 VanDerWaalsContact C-N 3.3Å; S36-S38 PolarHBondContact O-N 3.41Å; S38-Q40 PolarHBondContact O-N 2.79Å |
| 39 | V | 72.4 | Confident | 84.1 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | trans | -79.2 | 118.9 | 179.5 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | L43 | V39-L43 HydrophobicContact CB-CD1 3.88Å; V39-L43 HydrophobicContact CG1-CD1 4.16Å; V39-L43 HydrophobicContact CG2-CD1 4.32Å | ||
| 40 | Q | 58.4 | Low | 83.9 | Confident | 184 Ų | 184 | 55.2 Ų | 55.2 | 86% | 0.86 | 32% | 0.316 | S | S | * | . | trans | -90.6 | 1 | -177.6 | -63 | -176.7 | -7.3 | 0 | 0 | 114.1 | S38 | S38-Q40 PolarHBondContact O-N 2.79Š| ||
| 41 | G | 63.3 | Low | 83.6 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -103.8 | -155.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R68 | G41-R68 WeakPolarHBondContact O-CG 3.28Š|
| 42 | E | 64.4 | Low | 83.2 | Confident | 149 Ų | 149 | 62.2 Ų | 62.2 | 70% | 0.696 | 36% | 0.357 | S | S | * | . | trans | -67.5 | 149.3 | 158 | -67.3 | 169.5 | 175.4 | 0 | 0 | 109 | G44 | E42-G44 VanDerWaalsContact C-N 3.32Š| ||
| 43 | L | 68.1 | Low | 83.1 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | trans | -78.6 | -19.8 | -179.3 | -134.2 | 77.5 | 0 | 0 | 0 | 113.1 | S36 V39 W45 E56 R68 Y70 | S36-L43 WeakPolarHBondContact O-CD1 3.44Å; V39-L43 HydrophobicContact CB-CD1 3.88Å; V39-L43 HydrophobicContact CG1-CD1 4.16Å; V39-L43 HydrophobicContact CG2-CD1 4.32Å; L43-W45 HydrophobicContact CD2-CD2 3.78Å; L43-W45 VanDerWaalsContact CD2-CE2 3.43Å; L43-W45 HydrophobicContact CD2-CE3 4.08Å; L43-W45 HydrophobicContact CD2-CG 4.4Å; L43-W45 HydrophobicContact CD2-CH2 3.71Å; L43-W45 HydrophobicContact CD2-CZ2 3.4Å; L43-W45 VanDerWaalsContact CD2-CZ2 3.4Å; L43-W45 HydrophobicContact CD2-CZ3 4.05Å; L43-W45 HydrophobicContact CG-CZ2 4.33Å; L43-W45 PolarHBondContact O-N 2.76Å; L43-E56 PolarHBondContact N-OE1 3.18Å; L43-E56 PolarHBondContact N-OE2 3.35Å; L43-R68 HydrophobicContact CD1-CB 4.13Å; L43-Y70 HydrophobicContact CB-CE2 3.84Å; L43-Y70 HydrophobicContact CD2-CD2 4.34Å; L43-Y70 HydrophobicContact CD2-CE2 3.75Å; L43-Y70 HydrophobicContact CG-CE2 4.43Å | ||
| 44 | G | 77.3 | Confident | 83.2 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 43% | 0.433 | 34% | 0.337 | S | S | . | . | trans | 72.6 | 3.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | E42 | E42-G44 VanDerWaalsContact C-N 3.32Š| ||
| 45 | W | 91.6 | Very high | 83.2 | Confident | 21 Ų | 21 | 62 Ų | 62 | 8% | 0.08 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 146.5 | -174.2 | -67.5 | 3.6 | 0 | 0 | 0 | 112 | L34 L43 Y70 L84 R85 T86 F185 V197 | L34-W45 HydrophobicContact CD2-CZ2 4.12Å; L43-W45 HydrophobicContact CD2-CD2 3.78Å; L43-W45 VanDerWaalsContact CD2-CE2 3.43Å; L43-W45 HydrophobicContact CD2-CE3 4.08Å; L43-W45 HydrophobicContact CD2-CG 4.4Å; L43-W45 HydrophobicContact CD2-CH2 3.71Å; L43-W45 HydrophobicContact CD2-CZ2 3.4Å; L43-W45 VanDerWaalsContact CD2-CZ2 3.4Å; L43-W45 HydrophobicContact CD2-CZ3 4.05Å; L43-W45 HydrophobicContact CG-CZ2 4.33Å; L43-W45 PolarHBondContact O-N 2.76Å; W45-Y70 HydrophobicContact CB-CE2 3.95Å; W45-Y70 AromaticContact CD2-CE2 3.96Å; W45-Y70 HydrophobicContact CD2-CE2 3.96Å; W45-Y70 AromaticContact CE3-CD2 3.83Å; W45-Y70 HydrophobicContact CE3-CD2 3.83Å; W45-Y70 AromaticContact CE3-CE2 3.66Å; W45-Y70 HydrophobicContact CE3-CE2 3.66Å; W45-Y70 HydrophobicContact CG-CE2 4.13Å; W45-Y70 HydrophobicContact CZ3-CD2 4.2Å; W45-Y70 HydrophobicContact CZ3-CE2 4.36Å; W45-Y70 PolarHBondContact N-OH 3.42Å; W45-L84 HydrophobicContact CB-CD1 3.78Å; W45-L84 HydrophobicContact CE3-CD1 4.28Å; W45-L84 HydrophobicContact CE3-CD2 3.99Å; W45-L84 HydrophobicContact CE3-CG 4.05Å; W45-L84 HydrophobicContact CZ3-CD2 4.39Å; W45-R85 WeakPolarHBondContact CA-O 3.49Å; W45-R85 VanDerWaalsContact CB-O 3.31Å; W45-R85 WeakPolarHBondContact CB-O 3.34Å; W45-T86 HydrophobicContact CD2-CG2 4.02Å; W45-T86 HydrophobicContact CE3-CG2 4.2Å; W45-T86 HydrophobicContact CH2-CG2 4.03Å; W45-T86 HydrophobicContact CZ2-CG2 3.8Å; W45-T86 HydrophobicContact CZ3-CG2 4.21Å; W45-F185 HydrophobicContact CH2-CE2 4.5Å; W45-F185 AromaticContact CZ3-CE2 3.91Å; W45-F185 HydrophobicContact CZ3-CE2 3.91Å; W45-V197 HydrophobicContact CH2-CB 3.89Å; W45-V197 HydrophobicContact CH2-CG2 3.69Å; W45-V197 HydrophobicContact CZ3-CG2 4.09Å |
| 46 | I | 92.6 | Very high | 83.1 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120.1 | -173.7 | -53.3 | -57.2 | 0 | 0 | 0 | 109.2 | L84 R85 I137 | I46-L84 CarbonylContact O-C 3.58Å; I46-L84 WeakPolarHBondContact O-CA 3.48Å; I46-R85 PolarHBondContact N-O 2.73Å; I46-R85 PolarHBondContact O-N 3.37Å; I46-I137 HydrophobicContact CG2-CD1 4.46Å; I46-I137 HydrophobicContact CG2-CG1 4.16Å |
| 47 | A | 93 | Very high | 83 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 11% | 0.107 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 149.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P49 L50 W83 | A47-P49 CarbonylContact C-O 3.56Å; A47-P49 WeakPolarHBondContact CB-O 3.31Å; A47-L50 WeakPolarHBondContact O-CD2 3.44Å; A47-W83 CarbonylContact C-O 3.53Å; A47-W83 WeakPolarHBondContact CA-O 3.46Å |
| 48 | S | 93.1 | Very high | 83.1 | Confident | 47 Ų | 47 | 67 Ų | 67 | 33% | 0.329 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 110.7 | 170 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | W83 | S48-W83 PolarHBondContact N-O 2.82Å; S48-W83 PolarHBondContact O-N 3.5Å |
| 49 | P | 92.1 | Very high | 83.2 | Confident | 59 Ų | 59 | 65.4 Ų | 65.4 | 38% | 0.383 | 37% | 0.373 | S | S | . | . | S | Bend | cis | -63.6 | 159 | -0.1 | 30.2 | -37 | 0 | 0 | 0 | 113 | A47 E51 | A47-P49 CarbonylContact C-O 3.56Å; A47-P49 WeakPolarHBondContact CB-O 3.31Å; P49-E51 VanDerWaalsContact C-N 3.33Å |
| 50 | L | 87.8 | Confident | 83.3 | Confident | 143 Ų | 143 | 68.3 Ų | 68.3 | 75% | 0.749 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -72.8 | -23.8 | -179.2 | -74.9 | 168 | 0 | 0 | 0 | 113.6 | A47 | A47-L50 WeakPolarHBondContact O-CD2 3.44Š|
| 51 | E | 86.9 | Confident | 83.7 | Confident | 176 Ų | 176 | 60.7 Ų | 60.7 | 82% | 0.822 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -135 | 149.8 | 176.8 | -67.9 | -179.4 | 179.3 | 0 | 0 | 108.3 | P49 G53 | P49-E51 VanDerWaalsContact C-N 3.33Å; E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 2.82Å |
| 52 | G | 86.3 | Confident | 83.8 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 46% | 0.464 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 69.5 | 20.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N74 | G52-N74 PolarHBondContact O-ND2 3.08Š|
| 53 | G | 92.4 | Very high | 83.9 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -126.1 | -118.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | E51 V72 | E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 2.82Å; G53-V72 WeakPolarHBondContact O-CB 3.26Å; G53-V72 VanDerWaalsContact O-CG2 3.31Å; G53-V72 WeakPolarHBondContact O-CG2 3.21Å |
| 54 | W | 94.8 | Very high | 83.9 | Confident | 8 Ų | 8 | 74.1 Ų | 74.1 | 3% | 0.03 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -80.3 | 124.1 | 171.1 | -71.1 | 95.5 | 0 | 0 | 0 | 111.3 | Q71 V72 N82 L84 F185 D187 I192 L194 | W54-Q71 WeakPolarHBondContact CA-O 3.37Å; W54-V72 HydrophobicContact CD2-CB 4.19Å; W54-V72 HydrophobicContact CD2-CG1 3.77Å; W54-V72 HydrophobicContact CE3-CB 4.19Å; W54-V72 HydrophobicContact CE3-CG1 3.76Å; W54-V72 HydrophobicContact CG-CG1 4.49Å; W54-V72 HydrophobicContact CH2-CG1 3.9Å; W54-V72 HydrophobicContact CZ2-CG1 3.89Å; W54-V72 HydrophobicContact CZ3-CG1 3.83Å; W54-N82 PolarHBondContact NE1-O 3.06Å; W54-L84 HydrophobicContact CB-CB 4.08Å; W54-L84 HydrophobicContact CB-CD1 4.36Å; W54-L84 HydrophobicContact CB-CD2 4.4Å; W54-L84 HydrophobicContact CD2-CB 4.05Å; W54-L84 HydrophobicContact CD2-CD2 4.02Å; W54-L84 HydrophobicContact CE3-CD2 4.12Å; W54-L84 HydrophobicContact CG-CB 3.65Å; W54-L84 HydrophobicContact CG-CD2 4.2Å; W54-L84 HydrophobicContact CG-CG 4.42Å; W54-F185 HydrophobicContact CZ2-CB 4.16Å; W54-D187 HydrophobicContact CZ2-CB 3.87Å; W54-I192 HydrophobicContact CH2-CD1 4.4Å; W54-I192 HydrophobicContact CH2-CG1 4.43Å; W54-I192 HydrophobicContact CH2-CG2 3.69Å; W54-I192 HydrophobicContact CZ2-CG2 4.47Å; W54-I192 HydrophobicContact CZ3-CG2 4.08Å; W54-L194 HydrophobicContact CE3-CD1 4.32Å; W54-L194 HydrophobicContact CH2-CD1 3.6Å; W54-L194 HydrophobicContact CH2-CG 3.78Å; W54-L194 HydrophobicContact CZ2-CD1 4.32Å; W54-L194 HydrophobicContact CZ3-CD1 3.61Å; W54-L194 HydrophobicContact CZ3-CG 3.69Å |
| 55 | E | 92.9 | Very high | 83.7 | Confident | 105 Ų | 105 | 75.2 Ų | 75.2 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.9 | 179.8 | -62 | -173.8 | 160 | 0 | 0 | 111.7 | Y70 Q71 | E55-Y70 WeakPolarHBondContact O-CA 3.42Å; E55-Q71 PolarHBondContact N-O 3.48Å; E55-Q71 PolarHBondContact O-N 3.48Å |
| 56 | E | 90.3 | Very high | 82.9 | Confident | 57 Ų | 57 | 78.5 Ų | 78.5 | 27% | 0.266 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 119.2 | 176.2 | -163.8 | 179.7 | 136.3 | 0 | 0 | 111.1 | L43 R68 T69 Y70 | L43-E56 PolarHBondContact N-OE1 3.18Å; L43-E56 PolarHBondContact N-OE2 3.35Å; E56-R68 WeakPolarHBondContact OE1-CD 3.36Å; E56-R68 WeakPolarHBondContact OE1-CG 3.47Å; E56-R68 IonicContact OE1-CZ 2.75Å; E56-R68 IonicContact OE1-NE 3.84Å; E56-R68 PolarHBondContact OE1-NE 2.9Å; E56-R68 IonicContact OE1-NH1 2.8Å; E56-R68 PolarHBondContact OE1-NH1 3.19Å; E56-R68 VanDerWaalsContact OE1-NH1 3.08Å; E56-T69 CarbonylContact C-O 3.54Å; E56-T69 WeakPolarHBondContact CA-O 3.19Å; E56-Y70 HydrophobicContact CB-CD1 3.99Å; E56-Y70 HydrophobicContact CB-CE1 3.49Å; E56-Y70 VanDerWaalsContact CB-CE1 3.49Å; E56-Y70 HydrophobicContact CG-CD1 4.41Å; E56-Y70 HydrophobicContact CG-CE1 3.87Å; E56-Y70 HydrophobicContact CG-CE2 4.48Å; E56-Y70 PolarHBondContact OE2-OH 2.86Å |
| 57 | V | 86.8 | Confident | 82.4 | Confident | 45 Ų | 45 | 76.5 Ų | 76.5 | 27% | 0.273 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.6 | -177.2 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | I59 T69 Q71 | V57-I59 HydrophobicContact CG1-CG1 4.41Å; V57-T69 PolarHBondContact N-O 2.81Å; V57-T69 PolarHBondContact O-N 3.14Å; V57-T69 PolarHBondContact O-OG1 2.7Å; V57-Q71 HydrophobicContact CB-CG 4.41Å; V57-Q71 HydrophobicContact CG2-CG 3.77Å |
| 58 | S | 84.3 | Confident | 82 | Confident | 70 Ų | 70 | 79.6 Ų | 79.6 | 49% | 0.49 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.4 | 173.9 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | I67 | S58-I67 WeakPolarHBondContact CA-O 3.21Å |
| 59 | I | 79.1 | Confident | 81.8 | Confident | 44 Ų | 44 | 77.4 Ų | 77.4 | 23% | 0.226 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 149.9 | 175.2 | -63.7 | -178.2 | 0 | 0 | 0 | 108.5 | V57 I67 T69 | V57-I59 HydrophobicContact CG1-CG1 4.41Å; I59-I67 HydrophobicContact CB-CG1 4.46Å; I59-I67 PolarHBondContact N-O 2.91Å; I59-I67 VanDerWaalsContact O-CG1 3.23Å; I59-I67 WeakPolarHBondContact O-CG1 3.39Å; I59-I67 PolarHBondContact O-N 2.95Å; I59-T69 HydrophobicContact CB-CG2 4.09Å; I59-T69 HydrophobicContact CD1-CG2 4.07Å; I59-T69 WeakPolarHBondContact CD1-OG1 3.16Å; I59-T69 HydrophobicContact CG1-CG2 4.21Å |
| 60 | M | 72.8 | Confident | 81.8 | Confident | 122 Ų | 122 | 75.1 Ų | 75.1 | 60% | 0.601 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129.7 | 171.6 | -70.2 | -65.1 | -170.5 | 0 | 0 | 110.2 | P66 | M60-P66 HydrophobicContact SD-CB 4.13Å |
| 61 | D | 66.9 | Low | 82.1 | Confident | 25 Ų | 25 | 71.8 Ų | 71.8 | 13% | 0.134 | 37% | 0.372 | C | S | . | . | trans | -76.3 | 172.8 | 170.7 | 85.5 | -3.9 | 0 | 0 | 0 | 112.4 | R24 K63 N64 T65 I67 | R24-D61 IonicContact NH2-OD2 2.76Å; R24-D61 PolarHBondContact NH2-OD2 2.95Å; D61-K63 PolarHBondContact O-N 2.9Å; D61-K63 WeakPolarHBondContact OD1-CA 3.29Å; D61-K63 WeakPolarHBondContact OD1-CB 3.2Å; D61-K63 PolarHBondContact OD1-N 2.85Å; D61-N64 WeakPolarHBondContact O-CA 3.03Å; D61-N64 PolarHBondContact O-N 2.79Å; D61-N64 PolarHBondContact OD1-N 2.6Å; D61-T65 PolarHBondContact N-O 2.91Å; D61-T65 WeakPolarHBondContact OD1-CB 3.14Å; D61-T65 PolarHBondContact OD1-N 3.13Å; D61-T65 PolarHBondContact OD1-OG1 3.39Å; D61-T65 PolarHBondContact OD2-OG1 2.96Å; D61-I67 HydrophobicContact CB-CD1 4.07Å; D61-I67 HydrophobicContact CB-CG1 4.28Å; D61-I67 HydrophobicContact CB-CG2 4.13Å | ||
| 62 | E | 67.1 | Low | 82.6 | Confident | 182 Ų | 182 | 63.8 Ų | 63.8 | 85% | 0.85 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -16.5 | 179.9 | -63.9 | 168.3 | -169.6 | 0 | 0 | 114.4 | ||
| 63 | K | 65.4 | Low | 82.9 | Confident | 168 Ų | 168 | 64.4 Ų | 64.4 | 73% | 0.73 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 9.7 | 179.5 | -61.7 | 176.9 | -177.6 | 177.9 | 0 | 112.3 | D61 T65 | D61-K63 PolarHBondContact O-N 2.9Å; D61-K63 WeakPolarHBondContact OD1-CA 3.29Å; D61-K63 WeakPolarHBondContact OD1-CB 3.2Å; D61-K63 PolarHBondContact OD1-N 2.85Å; K63-T65 PolarHBondContact O-N 2.83Å |
| 64 | N | 68.3 | Low | 83 | Confident | 131 Ų | 131 | 66.4 Ų | 66.4 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 59.7 | 29.4 | -171.3 | -54.9 | -82.7 | 0 | 0 | 0 | 113.3 | D61 | D61-N64 WeakPolarHBondContact O-CA 3.03Å; D61-N64 PolarHBondContact O-N 2.79Å; D61-N64 PolarHBondContact OD1-N 2.6Å |
| 65 | T | 72.9 | Confident | 82.9 | Confident | 64 Ų | 64 | 66.3 Ų | 66.3 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | trans | -83.6 | 127 | 170 | -33.2 | 0 | 0 | 0 | 0 | 108.3 | D61 K63 I67 | D61-T65 PolarHBondContact N-O 2.91Å; D61-T65 WeakPolarHBondContact OD1-CB 3.14Å; D61-T65 PolarHBondContact OD1-N 3.13Å; D61-T65 PolarHBondContact OD1-OG1 3.39Å; D61-T65 PolarHBondContact OD2-OG1 2.96Å; K63-T65 PolarHBondContact O-N 2.83Å; T65-I67 PolarHBondContact O-N 3.05Å | ||
| 66 | P | 75.9 | Confident | 82.7 | Confident | 90 Ų | 90 | 67 Ų | 67 | 58% | 0.584 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 118.5 | 171.2 | 27.6 | -32.8 | 0 | 0 | 0 | 109.3 | M60 | M60-P66 HydrophobicContact SD-CB 4.13Å |
| 67 | I | 81.1 | Confident | 82.7 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.046 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.5 | 174.1 | 55.3 | 166.4 | 0 | 0 | 0 | 110 | R37 S58 I59 D61 T65 T69 V195 | R37-I67 HydrophobicContact CB-CG2 4.27Å; R37-I67 HydrophobicContact CG-CB 4.25Å; R37-I67 HydrophobicContact CG-CD1 4.36Å; R37-I67 HydrophobicContact CG-CG2 3.97Å; S58-I67 WeakPolarHBondContact CA-O 3.21Å; I59-I67 HydrophobicContact CB-CG1 4.46Å; I59-I67 PolarHBondContact N-O 2.91Å; I59-I67 VanDerWaalsContact O-CG1 3.23Å; I59-I67 WeakPolarHBondContact O-CG1 3.39Å; I59-I67 PolarHBondContact O-N 2.95Å; D61-I67 HydrophobicContact CB-CD1 4.07Å; D61-I67 HydrophobicContact CB-CG1 4.28Å; D61-I67 HydrophobicContact CB-CG2 4.13Å; T65-I67 PolarHBondContact O-N 3.05Å; I67-T69 HydrophobicContact CD1-CG2 4.1Å; I67-T69 HydrophobicContact CG1-CG2 4.16Å; I67-V195 HydrophobicContact CD1-CG1 3.84Å |
| 68 | R | 84.5 | Confident | 82.5 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 136.6 | 170 | -64.9 | -56.8 | -168.1 | 134.6 | -1.9 | 110 | G41 L43 E56 | G41-R68 WeakPolarHBondContact O-CG 3.28Å; L43-R68 HydrophobicContact CD1-CB 4.13Å; E56-R68 WeakPolarHBondContact OE1-CD 3.36Å; E56-R68 WeakPolarHBondContact OE1-CG 3.47Å; E56-R68 IonicContact OE1-CZ 2.75Å; E56-R68 IonicContact OE1-NE 3.84Å; E56-R68 PolarHBondContact OE1-NE 2.9Å; E56-R68 IonicContact OE1-NH1 2.8Å; E56-R68 PolarHBondContact OE1-NH1 3.19Å; E56-R68 VanDerWaalsContact OE1-NH1 3.08Å |
| 69 | T | 88.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 157.5 | -176.4 | 64.9 | 0 | 0 | 0 | 0 | 109 | E56 V57 I59 I67 L194 | E56-T69 CarbonylContact C-O 3.54Å; E56-T69 WeakPolarHBondContact CA-O 3.19Å; V57-T69 PolarHBondContact N-O 2.81Å; V57-T69 PolarHBondContact O-N 3.14Å; V57-T69 PolarHBondContact O-OG1 2.7Å; I59-T69 HydrophobicContact CB-CG2 4.09Å; I59-T69 HydrophobicContact CD1-CG2 4.07Å; I59-T69 WeakPolarHBondContact CD1-OG1 3.16Å; I59-T69 HydrophobicContact CG1-CG2 4.21Å; I67-T69 HydrophobicContact CD1-CG2 4.1Å; I67-T69 HydrophobicContact CG1-CG2 4.16Å; T69-L194 WeakPolarHBondContact CA-O 3.26Å; T69-L194 VanDerWaalsContact CB-O 3.28Å; T69-L194 WeakPolarHBondContact CB-O 3.35Å |
| 70 | Y | 93.7 | Very high | 83.3 | Confident | 11 Ų | 11 | 73.2 Ų | 73.2 | 4% | 0.043 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.5 | 172.8 | -75 | -82.1 | 0 | 0 | 0 | 110.5 | L43 W45 E55 E56 L84 A193 L194 | L43-Y70 HydrophobicContact CB-CE2 3.84Å; L43-Y70 HydrophobicContact CD2-CD2 4.34Å; L43-Y70 HydrophobicContact CD2-CE2 3.75Å; L43-Y70 HydrophobicContact CG-CE2 4.43Å; W45-Y70 HydrophobicContact CB-CE2 3.95Å; W45-Y70 AromaticContact CD2-CE2 3.96Å; W45-Y70 HydrophobicContact CD2-CE2 3.96Å; W45-Y70 AromaticContact CE3-CD2 3.83Å; W45-Y70 HydrophobicContact CE3-CD2 3.83Å; W45-Y70 AromaticContact CE3-CE2 3.66Å; W45-Y70 HydrophobicContact CE3-CE2 3.66Å; W45-Y70 HydrophobicContact CG-CE2 4.13Å; W45-Y70 HydrophobicContact CZ3-CD2 4.2Å; W45-Y70 HydrophobicContact CZ3-CE2 4.36Å; W45-Y70 PolarHBondContact N-OH 3.42Å; E55-Y70 WeakPolarHBondContact O-CA 3.42Å; E56-Y70 HydrophobicContact CB-CD1 3.99Å; E56-Y70 HydrophobicContact CB-CE1 3.49Å; E56-Y70 VanDerWaalsContact CB-CE1 3.49Å; E56-Y70 HydrophobicContact CG-CD1 4.41Å; E56-Y70 HydrophobicContact CG-CE1 3.87Å; E56-Y70 HydrophobicContact CG-CE2 4.48Å; E56-Y70 PolarHBondContact OE2-OH 2.86Å; Y70-L84 HydrophobicContact CD1-CD1 3.84Å; Y70-L84 HydrophobicContact CD1-CD2 4.12Å; Y70-L84 HydrophobicContact CD2-CD1 4.2Å; Y70-L84 HydrophobicContact CD2-CD2 3.72Å; Y70-L84 HydrophobicContact CE1-CD1 3.89Å; Y70-L84 HydrophobicContact CE2-CD1 4.21Å; Y70-L84 HydrophobicContact CE2-CD2 4.47Å; Y70-L84 HydrophobicContact CG-CD1 4.03Å; Y70-L84 HydrophobicContact CG-CD2 3.52Å; Y70-L84 HydrophobicContact CG-CG 4.43Å; Y70-A193 CarbonylContact O-C 3.59Å; Y70-A193 WeakPolarHBondContact O-CA 3.33Å; Y70-L194 PolarHBondContact N-O 3.29Å; Y70-L194 PolarHBondContact O-N 2.81Å |
| 71 | Q | 94 | Very high | 84.3 | Confident | 74 Ų | 74 | 70.4 Ų | 70.4 | 35% | 0.346 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 154.8 | 179.2 | 62.6 | 169.7 | 37.8 | 0 | 0 | 112.8 | W54 E55 V57 I192 A193 | W54-Q71 WeakPolarHBondContact CA-O 3.37Å; E55-Q71 PolarHBondContact N-O 3.48Å; E55-Q71 PolarHBondContact O-N 3.48Å; V57-Q71 HydrophobicContact CB-CG 4.41Å; V57-Q71 HydrophobicContact CG2-CG 3.77Å; Q71-I192 VanDerWaalsContact CA-O 3.26Å; Q71-I192 WeakPolarHBondContact CA-O 3.47Å; Q71-A193 HydrophobicContact CB-CB 3.97Å |
| 72 | V | 95.7 | Very high | 85.7 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 143.7 | 170.4 | 59.6 | 0 | 0 | 0 | 0 | 109.1 | G53 W54 N74 D187 C191 I192 | G53-V72 WeakPolarHBondContact O-CB 3.26Å; G53-V72 VanDerWaalsContact O-CG2 3.31Å; G53-V72 WeakPolarHBondContact O-CG2 3.21Å; W54-V72 HydrophobicContact CD2-CB 4.19Å; W54-V72 HydrophobicContact CD2-CG1 3.77Å; W54-V72 HydrophobicContact CE3-CB 4.19Å; W54-V72 HydrophobicContact CE3-CG1 3.76Å; W54-V72 HydrophobicContact CG-CG1 4.49Å; W54-V72 HydrophobicContact CH2-CG1 3.9Å; W54-V72 HydrophobicContact CZ2-CG1 3.89Å; W54-V72 HydrophobicContact CZ3-CG1 3.83Å; V72-N74 HydrophobicContact CG2-CB 4.46Å; V72-D187 HydrophobicContact CG1-CB 3.67Å; V72-D187 WeakPolarHBondContact CG2-OD2 3.36Å; V72-C191 WeakPolarHBondContact O-CA 3.37Å; V72-I192 HydrophobicContact CG1-CG2 3.65Å; V72-I192 PolarHBondContact N-O 3.46Å; V72-I192 PolarHBondContact O-N 2.92Å |
| 73 | C | 94.4 | Very high | 87.1 | Confident | 58 Ų | 58 | 61.1 Ų | 61.1 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | trans | -149.8 | 42.5 | -177.6 | -167.8 | 0 | 0 | 0 | 0 | 112.4 | V75 A190 C191 | C73-V75 PolarHBondContact O-N 3.24Å; C73-A190 WeakPolarHBondContact CA-O 3.45Å; C73-C191 HydrophobicContact CB-CB 3.93Å; C73-C191 WeakPolarHBondContact CB-SG 3.34Å; C73-C191 WeakPolarHBondContact SG-CB 3.46Å; C73-C191 CovalentContact SG-SG 2.05Å; C73-C191 PolarHBondContact SG-SG 2.86Å | ||
| 74 | N | 93.3 | Very high | 88.5 | Confident | 45 Ų | 45 | 53.1 Ų | 53.1 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | trans | -81.3 | 40.5 | -174.1 | -66 | 1.1 | 0 | 0 | 0 | 113.1 | G52 V72 M76 E77 Q80 | G52-N74 PolarHBondContact O-ND2 3.08Å; V72-N74 HydrophobicContact CG2-CB 4.46Å; N74-M76 PolarHBondContact O-N 2.83Å; N74-E77 PolarHBondContact O-N 2.79Å; N74-Q80 HydrophobicContact CB-CG 4.09Å; N74-Q80 PolarHBondContact ND2-OE1 2.81Å | ||
| 75 | V | 92.1 | Very high | 89.8 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.2 | -170.6 | -66.1 | 0 | 0 | 0 | 0 | 115.4 | C73 L111 V114 T117 C118 C191 | C73-V75 PolarHBondContact O-N 3.24Å; V75-L111 HydrophobicContact CG1-CD1 4.18Å; V75-L111 HydrophobicContact CG2-CD1 4.23Å; V75-V114 HydrophobicContact CB-CB 4.34Å; V75-V114 HydrophobicContact CB-CG1 4.1Å; V75-V114 HydrophobicContact CG2-CB 4.46Å; V75-V114 HydrophobicContact CG2-CG1 3.7Å; V75-T117 VanDerWaalsContact O-CB 3.32Å; V75-T117 WeakPolarHBondContact O-CB 3.13Å; V75-T117 PolarHBondContact O-OG1 2.05Å; V75-C118 HydrophobicContact CB-CB 4.2Å; V75-C118 HydrophobicContact CG1-CB 4.37Å; V75-C191 HydrophobicContact CG1-CB 3.79Å |
| 76 | M | 89.4 | Confident | 90.8 | Very high | 118 Ų | 118 | 44.1 Ų | 44.1 | 58% | 0.581 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -19.6 | 179.5 | -67.8 | -72.4 | 177.1 | 0 | 0 | 113.2 | N74 P112 V114 | N74-M76 PolarHBondContact O-N 2.83Å; M76-P112 WeakPolarHBondContact CE-O 3.5Å; M76-V114 HydrophobicContact CE-CG1 3.66Å; M76-V114 HydrophobicContact CG-CG1 4.47Å; M76-V114 HydrophobicContact SD-CG1 3.78Å |
| 77 | E | 89.8 | Confident | 91.6 | Very high | 102 Ų | 102 | 44 Ų | 44 | 48% | 0.477 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -80.6 | 140.7 | -172.2 | -67.8 | -58.5 | 140.5 | 0 | 0 | 112.1 | N74 S79 Q80 T117 | N74-E77 PolarHBondContact O-N 2.79Å; E77-S79 PolarHBondContact O-N 2.82Å; E77-Q80 HydrophobicContact CB-CG 3.99Å; E77-T117 WeakPolarHBondContact O-CB 3.42Å; E77-T117 WeakPolarHBondContact O-CG2 3.31Å |
| 78 | P | 83.3 | Confident | 92.3 | Very high | 109 Ų | 109 | 46.8 Ų | 46.8 | 71% | 0.708 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -70.3 | -17.5 | -175.1 | 28.6 | -35.3 | 0 | 0 | 0 | 113.9 | ||
| 79 | S | 88.3 | Confident | 92.8 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 66% | 0.664 | 23% | 0.234 | S | C | * | . | trans | -155.9 | 140.4 | 173.3 | 57.2 | 0 | 0 | 0 | 0 | 110 | E77 | E77-S79 PolarHBondContact O-N 2.82Š| ||
| 80 | Q | 92 | Very high | 93.1 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 19% | 0.192 | 25% | 0.246 | C | C | . | . | trans | -135.6 | 152.6 | 177.2 | -69.6 | -66.8 | -82.5 | 0 | 0 | 110.5 | N74 E77 N82 | N74-Q80 HydrophobicContact CB-CG 4.09Å; N74-Q80 PolarHBondContact ND2-OE1 2.81Å; E77-Q80 HydrophobicContact CB-CG 3.99Å; Q80-N82 PolarHBondContact OE1-ND2 2.83Å | ||
| 81 | N | 94.4 | Very high | 93.1 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | trans | -151.6 | 59.4 | 178.6 | -174.3 | 42.3 | 0 | 0 | 0 | 108.9 | W83 E139 Q186 | N81-W83 PolarHBondContact ND2-NE1 3.19Å; N81-W83 PolarHBondContact O-N 2.9Å; N81-W83 PolarHBondContact OD1-NE1 3.24Å; N81-E139 PolarHBondContact ND2-OE2 2.78Å; N81-Q186 PolarHBondContact OD1-NE2 2.87Å | ||
| 82 | N | 95.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.032 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 106.7 | -169.8 | -61.8 | -41 | 0 | 0 | 0 | 109.5 | W54 Q80 Q186 D187 | W54-N82 PolarHBondContact NE1-O 3.06Å; Q80-N82 PolarHBondContact OE1-ND2 2.83Å; N82-Q186 CarbonylContact O-C 3.5Å; N82-Q186 WeakPolarHBondContact O-CA 3.32Å; N82-D187 HydrophobicContact CB-CB 4.07Å; N82-D187 PolarHBondContact N-O 3.06Å; N82-D187 PolarHBondContact ND2-OD2 2.75Å; N82-D187 PolarHBondContact O-N 2.9Å |
| 83 | W | 96.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 2% | 0.023 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 141.8 | 179.4 | -69 | 81.2 | 0 | 0 | 0 | 111.9 | A47 S48 N81 Y125 I137 E139 F142 A184 F185 Q186 | A47-W83 CarbonylContact C-O 3.53Å; A47-W83 WeakPolarHBondContact CA-O 3.46Å; S48-W83 PolarHBondContact N-O 2.82Å; S48-W83 PolarHBondContact O-N 3.5Å; N81-W83 PolarHBondContact ND2-NE1 3.19Å; N81-W83 PolarHBondContact O-N 2.9Å; N81-W83 PolarHBondContact OD1-NE1 3.24Å; W83-Y125 HydrophobicContact CH2-CD1 4.01Å; W83-Y125 AromaticContact CH2-CD2 3.84Å; W83-Y125 HydrophobicContact CH2-CD2 3.84Å; W83-Y125 AromaticContact CH2-CE1 3.91Å; W83-Y125 HydrophobicContact CH2-CE1 3.91Å; W83-Y125 AromaticContact CH2-CE2 3.71Å; W83-Y125 HydrophobicContact CH2-CE2 3.71Å; W83-Y125 HydrophobicContact CH2-CG 4Å; W83-Y125 AromaticContact CH2-CZ 3.76Å; W83-Y125 HydrophobicContact CZ2-CE2 4.43Å; W83-Y125 HydrophobicContact CZ3-CD1 4.28Å; W83-Y125 AromaticContact CZ3-CD2 3.69Å; W83-Y125 HydrophobicContact CZ3-CD2 3.69Å; W83-Y125 HydrophobicContact CZ3-CE2 4.01Å; W83-Y125 AromaticContact CZ3-CG 3.85Å; W83-Y125 HydrophobicContact CZ3-CG 3.85Å; W83-I137 HydrophobicContact CB-CD1 3.7Å; W83-I137 HydrophobicContact CB-CG2 4.49Å; W83-I137 HydrophobicContact CD2-CG2 4.46Å; W83-I137 HydrophobicContact CE3-CG2 4.34Å; W83-E139 HydrophobicContact CD2-CG 4.29Å; W83-E139 HydrophobicContact CZ2-CB 4.08Å; W83-E139 HydrophobicContact CZ2-CG 3.95Å; W83-E139 VanDerWaalsContact NE1-CD 3.34Å; W83-E139 PolarHBondContact NE1-OE2 3.03Å; W83-F142 HydrophobicContact CH2-CB 4.32Å; W83-F142 HydrophobicContact CZ3-CB 4.22Å; W83-F142 HydrophobicContact CZ3-CD2 4.32Å; W83-F142 HydrophobicContact CZ3-CG 4.17Å; W83-A184 HydrophobicContact CE3-CB 3.9Å; W83-A184 HydrophobicContact CZ3-CB 4.05Å; W83-F185 CarbonylContact C-O 3.51Å; W83-F185 WeakPolarHBondContact CA-O 3.45Å; W83-Q186 HydrophobicContact CD2-CB 4.08Å; W83-Q186 HydrophobicContact CD2-CG 4.22Å; W83-Q186 HydrophobicContact CE3-CB 4.22Å; W83-Q186 HydrophobicContact CZ2-CB 4.37Å; W83-Q186 HydrophobicContact CZ2-CG 4.17Å; W83-Q186 HydrophobicContact CZ3-CB 4.43Å |
| 84 | L | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 123.2 | 169.5 | 172.6 | 69.3 | 0 | 0 | 0 | 108 | W45 I46 W54 Y70 A184 F185 L194 | W45-L84 HydrophobicContact CB-CD1 3.78Å; W45-L84 HydrophobicContact CE3-CD1 4.28Å; W45-L84 HydrophobicContact CE3-CD2 3.99Å; W45-L84 HydrophobicContact CE3-CG 4.05Å; W45-L84 HydrophobicContact CZ3-CD2 4.39Å; I46-L84 CarbonylContact O-C 3.58Å; I46-L84 WeakPolarHBondContact O-CA 3.48Å; W54-L84 HydrophobicContact CB-CB 4.08Å; W54-L84 HydrophobicContact CB-CD1 4.36Å; W54-L84 HydrophobicContact CB-CD2 4.4Å; W54-L84 HydrophobicContact CD2-CB 4.05Å; W54-L84 HydrophobicContact CD2-CD2 4.02Å; W54-L84 HydrophobicContact CE3-CD2 4.12Å; W54-L84 HydrophobicContact CG-CB 3.65Å; W54-L84 HydrophobicContact CG-CD2 4.2Å; W54-L84 HydrophobicContact CG-CG 4.42Å; Y70-L84 HydrophobicContact CD1-CD1 3.84Å; Y70-L84 HydrophobicContact CD1-CD2 4.12Å; Y70-L84 HydrophobicContact CD2-CD1 4.2Å; Y70-L84 HydrophobicContact CD2-CD2 3.72Å; Y70-L84 HydrophobicContact CE1-CD1 3.89Å; Y70-L84 HydrophobicContact CE2-CD1 4.21Å; Y70-L84 HydrophobicContact CE2-CD2 4.47Å; Y70-L84 HydrophobicContact CG-CD1 4.03Å; Y70-L84 HydrophobicContact CG-CD2 3.52Å; Y70-L84 HydrophobicContact CG-CG 4.43Å; L84-A184 CarbonylContact O-C 3.46Å; L84-A184 WeakPolarHBondContact O-CA 3.46Å; L84-F185 HydrophobicContact CB-CB 4.44Å; L84-F185 HydrophobicContact CD2-CD2 4.25Å; L84-F185 HydrophobicContact CG-CD2 4.38Å; L84-F185 PolarHBondContact N-O 2.91Å; L84-F185 PolarHBondContact O-N 3.2Å; L84-L194 HydrophobicContact CD2-CD1 3.9Å |
| 85 | R | 95.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 2% | 0.023 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.6 | -177.8 | -169.3 | -147.2 | 73.5 | -169.9 | 2.2 | 111.3 | W45 I46 E134 I137 F142 Y182 L183 A184 | W45-R85 WeakPolarHBondContact CA-O 3.49Å; W45-R85 VanDerWaalsContact CB-O 3.31Å; W45-R85 WeakPolarHBondContact CB-O 3.34Å; I46-R85 PolarHBondContact N-O 2.73Å; I46-R85 PolarHBondContact O-N 3.37Å; R85-E134 PolarHBondContact NH1-O 2.78Å; R85-E134 PolarHBondContact NH2-O 2.93Å; R85-E134 VanDerWaalsContact NH2-O 3.14Å; R85-I137 HydrophobicContact CB-CD1 3.74Å; R85-I137 HydrophobicContact CB-CG1 3.86Å; R85-F142 HydrophobicContact CG-CE1 4.29Å; R85-F142 HydrophobicContact CG-CZ 3.88Å; R85-Y182 HydrophobicContact CG-CD1 4.49Å; R85-L183 WeakPolarHBondContact CA-O 3.47Å; R85-L183 VanDerWaalsContact CG-O 3.26Å; R85-L183 WeakPolarHBondContact CG-O 3.4Å; R85-A184 HydrophobicContact CB-CB 4.23Å; R85-A184 HydrophobicContact CG-CB 4.2Å |
| 86 | T | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -61.3 | 170.2 | 173.4 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | L34 W45 Y182 L183 F185 | L34-T86 HydrophobicContact CD2-CG2 4.4Å; W45-T86 HydrophobicContact CD2-CG2 4.02Å; W45-T86 HydrophobicContact CE3-CG2 4.2Å; W45-T86 HydrophobicContact CH2-CG2 4.03Å; W45-T86 HydrophobicContact CZ2-CG2 3.8Å; W45-T86 HydrophobicContact CZ3-CG2 4.21Å; T86-Y182 WeakPolarHBondContact O-CD1 3.21Å; T86-L183 HydrophobicContact CG2-CB 3.85Å; T86-L183 PolarHBondContact N-O 2.86Å; T86-L183 PolarHBondContact OG1-N 2.86Å; T86-L183 PolarHBondContact OG1-O 2.86Å; T86-F185 HydrophobicContact CG2-CE2 4.13Å | ||
| 87 | D | 92.9 | Very high | 93.1 | Very high | 86 Ų | 86 | 45.5 Ų | 45.5 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | trans | -66.6 | 174.6 | 155.8 | -82.3 | -32.9 | 0 | 0 | 0 | 112.2 | ||||
| 88 | W | 94.6 | Very high | 93.4 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 26% | 0.258 | 23% | 0.226 | S | C | . | . | trans | -72.9 | 126.1 | -179.9 | -176.6 | 87.1 | 0 | 0 | 0 | 111 | S129 N131 D132 K179 Y182 | W88-S129 PolarHBondContact NE1-O 2.94Å; W88-N131 VanDerWaalsContact CD1-O 3.24Å; W88-D132 HydrophobicContact CB-CB 4.33Å; W88-D132 HydrophobicContact CD2-CB 3.9Å; W88-D132 HydrophobicContact CE3-CB 4.02Å; W88-D132 HydrophobicContact CG-CB 4.07Å; W88-K179 HydrophobicContact CH2-CB 4.24Å; W88-K179 HydrophobicContact CZ2-CB 3.77Å; W88-Y182 VanDerWaalsContact CA-CE1 3.5Å; W88-Y182 HydrophobicContact CB-CD1 4.25Å; W88-Y182 HydrophobicContact CB-CE1 3.56Å; W88-Y182 AromaticContact CD1-CE2 3.84Å; W88-Y182 AromaticContact CD1-CZ 3.84Å; W88-Y182 HydrophobicContact CG-CE1 4.41Å; W88-Y182 VanDerWaalsContact N-CE1 3.32Å | ||
| 89 | I | 95.2 | Very high | 94 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.9 | -179.1 | -50.2 | 179.3 | 0 | 0 | 0 | 107.9 | L33 L34 G180 F181 L183 V199 | L33-I89 HydrophobicContact CB-CG2 3.68Å; L33-I89 HydrophobicContact CD1-CG2 4.38Å; L34-I89 HydrophobicContact CB-CD1 4.3Å; L34-I89 HydrophobicContact CD2-CD1 3.63Å; L34-I89 HydrophobicContact CD2-CG1 4.19Å; I89-G180 CarbonylContact O-C 3.55Å; I89-G180 WeakPolarHBondContact O-CA 3.43Å; I89-F181 HydrophobicContact CB-CD1 4.46Å; I89-F181 HydrophobicContact CB-CE1 4.06Å; I89-F181 HydrophobicContact CB-CE2 4.12Å; I89-F181 HydrophobicContact CB-CZ 3.86Å; I89-F181 HydrophobicContact CD1-CE2 3.9Å; I89-F181 HydrophobicContact CD1-CZ 4.23Å; I89-F181 HydrophobicContact CG2-CE1 3.94Å; I89-F181 HydrophobicContact CG2-CE2 4.35Å; I89-F181 HydrophobicContact CG2-CZ 3.68Å; I89-F181 PolarHBondContact N-O 2.96Å; I89-F181 PolarHBondContact O-N 2.79Å; I89-L183 HydrophobicContact CD1-CD1 4.23Å; I89-L183 HydrophobicContact CD1-CG 4.16Å; I89-V199 HydrophobicContact CD1-CB 4.37Å; I89-V199 HydrophobicContact CD1-CG1 4.37Å; I89-V199 HydrophobicContact CD1-CG2 3.94Å |
| 90 | T | 95.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 33 Ų | 33 | 26% | 0.264 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 138.2 | 167.6 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | E92 | T90-E92 WeakPolarHBondContact CB-OE1 3.47Å; T90-E92 HydrophobicContact CG2-CG 4.2Å; T90-E92 WeakPolarHBondContact CG2-OE1 3.31Å; T90-E92 PolarHBondContact OG1-N 2.85Å; T90-E92 VanDerWaalsContact OG1-N 3.13Å; T90-E92 PolarHBondContact OG1-OE1 2.95Å |
| 91 | R | 93.5 | Very high | 94.5 | Very high | 48 Ų | 48 | 31.1 Ų | 31.1 | 18% | 0.181 | 16% | 0.157 | C | C | . | . | trans | -87.8 | -6.7 | 171.5 | 78.4 | 173.8 | 178.9 | 77.6 | 3.8 | 113.4 | G93 A94 L176 S177 K178 K179 F181 | R91-G93 PolarHBondContact O-N 3.49Å; R91-A94 VanDerWaalsContact CD-O 3.31Å; R91-A94 WeakPolarHBondContact CD-O 3.44Å; R91-A94 PolarHBondContact NH1-O 2.77Å; R91-A94 WeakPolarHBondContact O-CB 3.44Å; R91-A94 PolarHBondContact O-N 2.83Å; R91-L176 HydrophobicContact CB-CD1 4.25Å; R91-S177 PolarHBondContact NE-O 2.84Å; R91-S177 PolarHBondContact NH2-O 3.07Å; R91-K178 WeakPolarHBondContact CD-O 3.48Å; R91-K178 PolarHBondContact NE-O 3.26Å; R91-K179 PolarHBondContact N-O 2.72Å; R91-K179 VanDerWaalsContact N-O 3.14Å; R91-F181 HydrophobicContact CB-CD1 4.39Å; R91-F181 HydrophobicContact CB-CE1 4.24Å | ||
| 92 | E | 93.4 | Very high | 94.4 | Very high | 119 Ų | 119 | 29.7 Ų | 29.7 | 56% | 0.556 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48 | -124 | -168.5 | -62.9 | -56 | 119.7 | 0 | 0 | 111.3 | L33 T90 Y201 | L33-E92 HydrophobicContact CD2-CG 4.09Å; T90-E92 WeakPolarHBondContact CB-OE1 3.47Å; T90-E92 HydrophobicContact CG2-CG 4.2Å; T90-E92 WeakPolarHBondContact CG2-OE1 3.31Å; T90-E92 PolarHBondContact OG1-N 2.85Å; T90-E92 VanDerWaalsContact OG1-N 3.13Å; T90-E92 PolarHBondContact OG1-OE1 2.95Å; E92-Y201 HydrophobicContact CB-CE1 4.4Å |
| 93 | G | 90.5 | Very high | 94.2 | Very high | 39 Ų | 39 | 29.4 Ų | 29.4 | 40% | 0.402 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -2.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R91 | R91-G93 PolarHBondContact O-N 3.49Š|
| 94 | A | 93.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -66.3 | 141.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R91 V97 Y201 | R91-A94 VanDerWaalsContact CD-O 3.31Å; R91-A94 WeakPolarHBondContact CD-O 3.44Å; R91-A94 PolarHBondContact NH1-O 2.77Å; R91-A94 WeakPolarHBondContact O-CB 3.44Å; R91-A94 PolarHBondContact O-N 2.83Å; A94-V97 HydrophobicContact CB-CG2 3.81Å; A94-Y201 VanDerWaalsContact CB-CB 3.48Å; A94-Y201 HydrophobicContact CB-CD1 3.88Å; A94-Y201 HydrophobicContact CB-CD2 4.03Å; A94-Y201 HydrophobicContact CB-CG 3.55Å | ||
| 95 | Q | 92 | Very high | 93.7 | Very high | 88 Ų | 88 | 29.5 Ų | 29.5 | 41% | 0.411 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -105.6 | -39.5 | 168.4 | -64.8 | 177.7 | 46.6 | 0 | 0 | 111 | G174 P175 L176 | Q95-G174 WeakPolarHBondContact O-CA 3.35Å; Q95-P175 CarbonylContact O-C 3.44Å; Q95-P175 WeakPolarHBondContact O-CA 3.15Å; Q95-L176 PolarHBondContact O-N 2.94Å |
| 96 | R | 93.2 | Very high | 93.4 | Very high | 28 Ų | 28 | 31.9 Ų | 31.9 | 11% | 0.106 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -106.6 | 129.6 | 172.9 | -176.1 | 62.6 | 53.9 | 176.9 | -6.6 | 109 | Y98 D172 V173 G174 A221 D222 | R96-Y98 HydrophobicContact CG-CE2 4.17Å; R96-D172 WeakPolarHBondContact CD-OD2 3.2Å; R96-D172 IonicContact CZ-OD2 3.5Å; R96-D172 IonicContact NE-OD2 2.65Å; R96-D172 IonicContact NH1-OD2 3.47Å; R96-D172 PolarHBondContact NH1-OD2 3.45Å; R96-V173 WeakPolarHBondContact CA-O 3.24Å; R96-G174 VanDerWaalsContact NH2-C 3.27Å; R96-G174 PolarHBondContact NH2-O 3.22Å; R96-A221 VanDerWaalsContact CZ-O 3.22Å; R96-A221 PolarHBondContact NE-O 3.42Å; R96-A221 PolarHBondContact NH2-O 2.91Å; R96-D222 IonicContact NH2-OD1 3.93Å |
| 97 | V | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 139 | 179.9 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | L33 A94 D172 V173 L176 F181 V199 | L33-V97 HydrophobicContact CD1-CG1 4Å; L33-V97 HydrophobicContact CD1-CG2 4.05Å; A94-V97 HydrophobicContact CB-CG2 3.81Å; V97-D172 CarbonylContact O-C 3.6Å; V97-D172 WeakPolarHBondContact O-CA 3.19Å; V97-D172 WeakPolarHBondContact O-CB 3.45Å; V97-V173 HydrophobicContact CB-CG2 4.3Å; V97-V173 PolarHBondContact N-O 3.13Å; V97-V173 PolarHBondContact O-N 2.69Å; V97-L176 HydrophobicContact CB-CD1 4.13Å; V97-L176 HydrophobicContact CG2-CD1 3.59Å; V97-F181 HydrophobicContact CG1-CZ 3.92Å; V97-F181 HydrophobicContact CG2-CE1 4.45Å; V97-V199 HydrophobicContact CG1-CG1 3.43Å; V97-V199 VanDerWaalsContact CG1-CG1 3.43Å |
| 98 | Y | 95.6 | Very high | 92.7 | Very high | 22 Ų | 22 | 29.9 Ų | 29.9 | 9% | 0.086 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145 | 179.3 | -60.4 | -86.7 | 0 | 0 | 0 | 110.7 | R96 R171 D172 V199 F200 K202 A249 | R96-Y98 HydrophobicContact CG-CE2 4.17Å; Y98-R171 CarbonylContact C-O 3.6Å; Y98-R171 WeakPolarHBondContact CA-O 3.32Å; Y98-D172 HydrophobicContact CD1-CB 3.64Å; Y98-D172 HydrophobicContact CE1-CB 3.73Å; Y98-D172 HydrophobicContact CG-CB 4.37Å; Y98-V199 CarbonylContact O-C 3.59Å; Y98-V199 WeakPolarHBondContact O-CA 3.15Å; Y98-F200 HydrophobicContact CD2-CD2 4.5Å; Y98-F200 HydrophobicContact CD2-CE2 4.21Å; Y98-F200 HydrophobicContact CG-CE2 4.16Å; Y98-F200 HydrophobicContact CG-CZ 4.21Å; Y98-F200 PolarHBondContact N-O 2.89Å; Y98-F200 PolarHBondContact O-N 2.78Å; Y98-K202 HydrophobicContact CD2-CD 4.08Å; Y98-K202 HydrophobicContact CD2-CG 3.85Å; Y98-K202 HydrophobicContact CE2-CB 4.18Å; Y98-K202 HydrophobicContact CE2-CD 3.54Å; Y98-K202 HydrophobicContact CE2-CG 3.59Å; Y98-A249 PolarHBondContact OH-O 2.88Å |
| 99 | I | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 102.7 | -174.6 | -53.7 | 164.7 | 0 | 0 | 0 | 106.7 | I101 L124 I145 I170 R171 V173 L183 V197 V199 | I99-I101 HydrophobicContact CG2-CD1 4.31Å; I99-I101 HydrophobicContact CG2-CG1 4.03Å; I99-L124 HydrophobicContact CD1-CD2 4.48Å; I99-L124 HydrophobicContact CG2-CD2 4.42Å; I99-I145 HydrophobicContact CD1-CD1 3.57Å; I99-I170 WeakPolarHBondContact O-CA 3.46Å; I99-R171 PolarHBondContact N-O 2.85Å; I99-R171 PolarHBondContact O-N 3.43Å; I99-V173 HydrophobicContact CD1-CG1 4.34Å; I99-V173 HydrophobicContact CD1-CG2 4.2Å; I99-L183 HydrophobicContact CD1-CD1 3.98Å; I99-L183 HydrophobicContact CD1-CD2 3.6Å; I99-L183 HydrophobicContact CD1-CG 4.47Å; I99-L183 HydrophobicContact CG1-CD1 4.01Å; I99-L183 HydrophobicContact CG1-CD2 4.43Å; I99-L183 HydrophobicContact CG2-CD1 3.77Å; I99-V197 HydrophobicContact CG2-CG1 4.3Å; I99-V199 HydrophobicContact CG1-CG1 4.38Å |
| 100 | E | 95.7 | Very high | 91.8 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.9 | 174.1 | 176.1 | -174.1 | 6.6 | 0 | 0 | 109.2 | K102 T168 E169 I170 V197 R198 F200 | E100-K102 WeakPolarHBondContact OE2-CE 3.5Å; E100-K102 IonicContact OE2-NZ 3.26Å; E100-K102 PolarHBondContact OE2-NZ 2.91Å; E100-T168 HydrophobicContact CG-CG2 4.25Å; E100-E169 CarbonylContact C-O 3.58Å; E100-E169 WeakPolarHBondContact CA-O 3.44Å; E100-I170 HydrophobicContact CB-CG1 4.15Å; E100-I170 HydrophobicContact CG-CG1 4.21Å; E100-V197 CarbonylContact O-C 3.55Å; E100-V197 WeakPolarHBondContact O-CA 3.48Å; E100-R198 HydrophobicContact CB-CB 4.33Å; E100-R198 PolarHBondContact N-O 3.26Å; E100-R198 PolarHBondContact O-N 3.26Å; E100-R198 IonicContact OE1-CZ 3.54Å; E100-R198 VanDerWaalsContact OE1-CZ 3.28Å; E100-R198 IonicContact OE1-NE 3.7Å; E100-R198 PolarHBondContact OE1-NE 3.41Å; E100-R198 IonicContact OE1-NH2 2.69Å; E100-R198 PolarHBondContact OE1-NH2 2.85Å; E100-F200 HydrophobicContact CB-CE1 4.15Å |
| 101 | I | 94.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.8 | 178.9 | -52.7 | 166.1 | 0 | 0 | 0 | 107.8 | I99 F103 F122 L124 T168 E169 F185 L194 S196 | I99-I101 HydrophobicContact CG2-CD1 4.31Å; I99-I101 HydrophobicContact CG2-CG1 4.03Å; I101-F103 HydrophobicContact CG2-CD1 4.06Å; I101-F122 HydrophobicContact CD1-CE2 4.45Å; I101-F122 HydrophobicContact CG2-CZ 4.28Å; I101-L124 HydrophobicContact CD1-CD1 3.88Å; I101-L124 HydrophobicContact CD1-CD2 3.79Å; I101-L124 HydrophobicContact CD1-CG 4.35Å; I101-T168 CarbonylContact O-C 3.56Å; I101-T168 WeakPolarHBondContact O-CA 3.4Å; I101-E169 PolarHBondContact N-O 2.89Å; I101-E169 PolarHBondContact O-N 3Å; I101-F185 HydrophobicContact CD1-CE1 3.87Å; I101-F185 HydrophobicContact CG1-CE1 4.27Å; I101-L194 HydrophobicContact CG2-CD2 3.74Å; I101-S196 CarbonylContact C-O 3.52Å; I101-S196 WeakPolarHBondContact CA-O 3.32Å |
| 102 | K | 91.4 | Very high | 90.7 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 15% | 0.148 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.8 | 168.7 | -52.5 | -166.3 | -171 | -72.7 | 0 | 109.7 | E100 L166 N167 T168 V195 S196 | E100-K102 WeakPolarHBondContact OE2-CE 3.5Å; E100-K102 IonicContact OE2-NZ 3.26Å; E100-K102 PolarHBondContact OE2-NZ 2.91Å; K102-L166 HydrophobicContact CB-CD1 3.98Å; K102-L166 HydrophobicContact CB-CD2 4.44Å; K102-L166 HydrophobicContact CB-CG 4.25Å; K102-L166 HydrophobicContact CD-CD2 4.21Å; K102-N167 VanDerWaalsContact CA-O 3.22Å; K102-N167 WeakPolarHBondContact CA-O 3.43Å; K102-T168 WeakPolarHBondContact CD-OG1 3.46Å; K102-T168 HydrophobicContact CG-CG2 4.25Å; K102-T168 WeakPolarHBondContact CG-OG1 3.42Å; K102-T168 PolarHBondContact NZ-OG1 2.88Å; K102-V195 WeakPolarHBondContact O-CA 3.31Å; K102-V195 PolarHBondContact O-N 3.36Å; K102-S196 PolarHBondContact N-O 3.41Å; K102-S196 PolarHBondContact O-N 3.45Å |
| 103 | F | 92.5 | Very high | 90 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157.6 | -171.8 | 67.6 | -80.1 | 0 | 0 | 0 | 111.8 | I101 L105 F122 I148 A149 A150 N167 E169 I192 A193 L194 | I101-F103 HydrophobicContact CG2-CD1 4.06Å; F103-L105 HydrophobicContact CD2-CB 4.16Å; F103-L105 HydrophobicContact CE2-CB 4.01Å; F103-L105 HydrophobicContact CE2-CD1 4.35Å; F103-F122 HydrophobicContact CD1-CE1 4.24Å; F103-F122 HydrophobicContact CD1-CZ 4.27Å; F103-F122 AromaticContact CD2-CE1 3.97Å; F103-F122 HydrophobicContact CD2-CE1 3.97Å; F103-F122 HydrophobicContact CE1-CE1 4.12Å; F103-F122 HydrophobicContact CE1-CZ 4.34Å; F103-F122 AromaticContact CE2-CE1 3.83Å; F103-F122 HydrophobicContact CE2-CE1 3.83Å; F103-F122 HydrophobicContact CG-CE1 4.18Å; F103-F122 HydrophobicContact CG-CZ 4.46Å; F103-F122 AromaticContact CZ-CE1 3.91Å; F103-F122 HydrophobicContact CZ-CE1 3.91Å; F103-I148 HydrophobicContact CE1-CG2 3.92Å; F103-I148 HydrophobicContact CZ-CG2 3.97Å; F103-A149 WeakPolarHBondContact CZ-O 3.07Å; F103-A150 HydrophobicContact CE2-CB 4.09Å; F103-A150 HydrophobicContact CZ-CB 4.37Å; F103-N167 HydrophobicContact CD1-CB 4.06Å; F103-N167 HydrophobicContact CD2-CB 4.4Å; F103-N167 HydrophobicContact CE1-CB 3.66Å; F103-N167 HydrophobicContact CE2-CB 4.04Å; F103-N167 HydrophobicContact CG-CB 4.4Å; F103-N167 HydrophobicContact CZ-CB 3.65Å; F103-N167 PolarHBondContact N-O 2.83Å; F103-N167 VanDerWaalsContact N-O 3.16Å; F103-N167 WeakPolarHBondContact O-CB 3.23Å; F103-N167 PolarHBondContact O-N 3.42Å; F103-E169 HydrophobicContact CE1-CB 4.18Å; F103-E169 HydrophobicContact CE1-CG 3.89Å; F103-E169 HydrophobicContact CZ-CG 4.38Å; F103-I192 HydrophobicContact CB-CD1 4.27Å; F103-I192 HydrophobicContact CB-CG1 4.38Å; F103-I192 HydrophobicContact CD2-CD1 3.73Å; F103-I192 HydrophobicContact CD2-CG1 4.16Å; F103-I192 HydrophobicContact CE2-CD1 4.42Å; F103-I192 HydrophobicContact CG-CD1 4.19Å; F103-A193 CarbonylContact C-O 3.55Å; F103-A193 WeakPolarHBondContact CA-O 3.48Å; F103-A193 VanDerWaalsContact CB-O 3.29Å; F103-A193 WeakPolarHBondContact CB-O 3.07Å; F103-L194 HydrophobicContact CB-CD2 4.1Å |
| 104 | T | 89.7 | Confident | 89.8 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.7 | 167.2 | 68.9 | 0 | 0 | 0 | 0 | 108.6 | M164 K165 L166 I192 A193 V195 | T104-M164 HydrophobicContact CG2-CE 4.37Å; T104-K165 WeakPolarHBondContact CG2-O 3.15Å; T104-L166 HydrophobicContact CG2-CD1 4.23Å; T104-I192 WeakPolarHBondContact O-CA 3.22Å; T104-A193 PolarHBondContact N-O 3.37Å; T104-A193 PolarHBondContact O-N 3.02Å; T104-V195 HydrophobicContact CG2-CG2 4.15Å |
| 105 | L | 91.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.1 | 178 | -173.7 | 143.3 | 0 | 0 | 0 | 109.7 | F103 E120 A150 S153 F154 | F103-L105 HydrophobicContact CD2-CB 4.16Å; F103-L105 HydrophobicContact CE2-CB 4.01Å; F103-L105 HydrophobicContact CE2-CD1 4.35Å; L105-E120 WeakPolarHBondContact CD1-O 3.28Å; L105-E120 HydrophobicContact CD2-CB 3.9Å; L105-E120 HydrophobicContact CD2-CG 4.28Å; L105-A150 HydrophobicContact CB-CB 4.04Å; L105-A150 HydrophobicContact CD2-CB 4.3Å; L105-S153 WeakPolarHBondContact O-CA 3.26Å; L105-F154 VanDerWaalsContact C-CE1 3.44Å; L105-F154 WeakPolarHBondContact O-CD1 3.32Å; L105-F154 WeakPolarHBondContact O-CE1 3.27Å; L105-F154 PolarHBondContact O-N 2.95Å |
| 106 | R | 88.4 | Confident | 88.1 | Confident | 55 Ų | 55 | 37.6 Ų | 37.6 | 21% | 0.208 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -91.6 | 134.8 | -177.3 | -174.9 | 172.1 | 174.5 | 172.3 | -3.9 | 111 | C108 S110 L111 F154 C191 | R106-C108 PolarHBondContact O-N 2.76Å; R106-S110 VanDerWaalsContact CG-OG 3.25Å; R106-S110 WeakPolarHBondContact CG-OG 3.37Å; R106-S110 PolarHBondContact NE-OG 3.15Å; R106-S110 PolarHBondContact NH2-O 2.99Å; R106-L111 HydrophobicContact CG-CD1 4.31Å; R106-F154 HydrophobicContact CB-CD2 4.42Å; R106-F154 HydrophobicContact CB-CE1 3.99Å; R106-F154 HydrophobicContact CB-CE2 3.86Å; R106-F154 HydrophobicContact CB-CZ 3.62Å; R106-F154 HydrophobicContact CG-CD2 4.28Å; R106-F154 HydrophobicContact CG-CE2 3.88Å; R106-F154 HydrophobicContact CG-CZ 4.17Å; R106-C191 HydrophobicContact CB-CB 4.09Å; R106-C191 PolarHBondContact N-O 2.92Å |
| 107 | D | 85.7 | Confident | 87.8 | Confident | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | trans | -57.3 | 126.1 | 174.3 | 164.1 | 26.6 | 0 | 0 | 0 | 111 | N109 S110 E120 F154 T155 | D107-N109 PolarHBondContact O-N 2.76Å; D107-N109 VanDerWaalsContact OD1-CB 3.26Å; D107-N109 WeakPolarHBondContact OD1-CB 3.43Å; D107-N109 PolarHBondContact OD1-N 2.91Å; D107-N109 PolarHBondContact OD1-ND2 2.67Å; D107-S110 WeakPolarHBondContact O-CB 3.41Å; D107-S110 PolarHBondContact O-N 3.09Å; D107-S110 PolarHBondContact O-OG 2.94Å; D107-S110 PolarHBondContact OD2-N 2.91Å; D107-E120 WeakPolarHBondContact CA-OE1 3.19Å; D107-F154 PolarHBondContact N-O 3.08Å; D107-T155 HydrophobicContact CB-CG2 4.32Å | ||
| 108 | C | 87.8 | Confident | 87.6 | Confident | 21 Ų | 21 | 38.6 Ų | 38.6 | 14% | 0.142 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -62.6 | -27.1 | 178.1 | -76.3 | 0 | 0 | 0 | 0 | 112.7 | R106 S110 L111 V114 C118 K119 E120 | R106-C108 PolarHBondContact O-N 2.76Å; C108-S110 VanDerWaalsContact C-N 3.26Å; C108-S110 PolarHBondContact O-N 2.7Å; C108-L111 PolarHBondContact O-N 3.03Å; C108-V114 WeakPolarHBondContact O-CG2 3.06Å; C108-C118 VanDerWaalsContact CA-SG 3.56Å; C108-C118 HydrophobicContact CB-CB 3.81Å; C108-C118 WeakPolarHBondContact CB-SG 3.23Å; C108-C118 VanDerWaalsContact SG-C 3.57Å; C108-C118 WeakPolarHBondContact SG-CB 3.43Å; C108-C118 CovalentContact SG-SG 2.04Å; C108-C118 PolarHBondContact SG-SG 3.48Å; C108-K119 PolarHBondContact SG-N 2.94Å; C108-E120 HydrophobicContact CB-CG 4.15Å; C108-E120 PolarHBondContact N-OE1 2.81Å; C108-E120 WeakPolarHBondContact SG-CG 3.26Å |
| 109 | N | 85.3 | Confident | 87.4 | Confident | 121 Ų | 121 | 41.2 Ų | 41.2 | 65% | 0.647 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -73.2 | -20.1 | 175.5 | -53 | -83.8 | 0 | 0 | 0 | 112.1 | D107 L111 | D107-N109 PolarHBondContact O-N 2.76Å; D107-N109 VanDerWaalsContact OD1-CB 3.26Å; D107-N109 WeakPolarHBondContact OD1-CB 3.43Å; D107-N109 PolarHBondContact OD1-N 2.91Å; D107-N109 PolarHBondContact OD1-ND2 2.67Å; N109-L111 PolarHBondContact O-N 3.24Å |
| 110 | S | 84.6 | Confident | 87.1 | Confident | 10 Ų | 10 | 44.7 Ų | 44.7 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -80.2 | 4.4 | 174.2 | 82.5 | 0 | 0 | 0 | 0 | 114 | R106 D107 C108 | R106-S110 VanDerWaalsContact CG-OG 3.25Å; R106-S110 WeakPolarHBondContact CG-OG 3.37Å; R106-S110 PolarHBondContact NE-OG 3.15Å; R106-S110 PolarHBondContact NH2-O 2.99Å; D107-S110 WeakPolarHBondContact O-CB 3.41Å; D107-S110 PolarHBondContact O-N 3.09Å; D107-S110 PolarHBondContact O-OG 2.94Å; D107-S110 PolarHBondContact OD2-N 2.91Å; C108-S110 VanDerWaalsContact C-N 3.26Å; C108-S110 PolarHBondContact O-N 2.7Å |
| 111 | L | 84.4 | Confident | 87 | Confident | 22 Ų | 22 | 45.7 Ų | 45.7 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -120.8 | 119 | -175.9 | -73.7 | 159.8 | 0 | 0 | 0 | 109.7 | V75 R106 C108 N109 G113 V114 C191 | V75-L111 HydrophobicContact CG1-CD1 4.18Å; V75-L111 HydrophobicContact CG2-CD1 4.23Å; R106-L111 HydrophobicContact CG-CD1 4.31Å; C108-L111 PolarHBondContact O-N 3.03Å; N109-L111 PolarHBondContact O-N 3.24Å; L111-G113 PolarHBondContact O-N 2.75Å; L111-V114 HydrophobicContact CB-CG1 4.11Å; L111-V114 HydrophobicContact CB-CG2 3.59Å; L111-C191 HydrophobicContact CD1-CB 4.24Å |
| 112 | P | 81.4 | Confident | 87 | Confident | 111 Ų | 111 | 45.6 Ų | 45.6 | 72% | 0.721 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 127 | -175.4 | 28.5 | -34 | 0 | 0 | 0 | 111.5 | M76 | M76-P112 WeakPolarHBondContact CE-O 3.5Š|
| 113 | G | 79.7 | Confident | 87.3 | Confident | 75 Ų | 75 | 44.9 Ų | 44.9 | 77% | 0.773 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | 3.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | L111 | L111-G113 PolarHBondContact O-N 2.75Š|
| 114 | V | 86.4 | Confident | 87.5 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | trans | -96.4 | 13.9 | -170.8 | -52.7 | 0 | 0 | 0 | 0 | 115.2 | V75 M76 C108 L111 G116 T117 C118 | V75-V114 HydrophobicContact CB-CB 4.34Å; V75-V114 HydrophobicContact CB-CG1 4.1Å; V75-V114 HydrophobicContact CG2-CB 4.46Å; V75-V114 HydrophobicContact CG2-CG1 3.7Å; M76-V114 HydrophobicContact CE-CG1 3.66Å; M76-V114 HydrophobicContact CG-CG1 4.47Å; M76-V114 HydrophobicContact SD-CG1 3.78Å; C108-V114 WeakPolarHBondContact O-CG2 3.06Å; L111-V114 HydrophobicContact CB-CG1 4.11Å; L111-V114 HydrophobicContact CB-CG2 3.59Å; V114-G116 PolarHBondContact O-N 2.97Å; V114-T117 PolarHBondContact O-N 3.01Å; V114-T117 PolarHBondContact O-OG1 3.49Å; V114-T117 VanDerWaalsContact O-OG1 3.09Å; V114-C118 HydrophobicContact CB-CB 3.81Å; V114-C118 HydrophobicContact CG2-CB 3.46Å; V114-C118 VanDerWaalsContact CG2-CB 3.46Å; V114-C118 WeakPolarHBondContact O-CB 3.36Å; V114-C118 PolarHBondContact O-N 3.47Å | ||
| 115 | M | 72.4 | Confident | 87.9 | Confident | 168 Ų | 168 | 46.1 Ų | 46.1 | 83% | 0.828 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 117.4 | -174.4 | -63.1 | -167.7 | 94.3 | 0 | 0 | 111.4 | ||
| 116 | G | 76.9 | Confident | 88.1 | Confident | 67 Ų | 67 | 48.1 Ų | 48.1 | 69% | 0.691 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.7 | -41 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | V114 K119 | V114-G116 PolarHBondContact O-N 2.97Å; G116-K119 PolarHBondContact O-NZ 2.94Å |
| 117 | T | 87.6 | Confident | 88.4 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 23% | 0.233 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -50.9 | 176.1 | 52 | 0 | 0 | 0 | 0 | 111.4 | V75 E77 V114 K119 | V75-T117 VanDerWaalsContact O-CB 3.32Å; V75-T117 WeakPolarHBondContact O-CB 3.13Å; V75-T117 PolarHBondContact O-OG1 2.05Å; E77-T117 WeakPolarHBondContact O-CB 3.42Å; E77-T117 WeakPolarHBondContact O-CG2 3.31Å; V114-T117 PolarHBondContact O-N 3.01Å; V114-T117 PolarHBondContact O-OG1 3.49Å; V114-T117 VanDerWaalsContact O-OG1 3.09Å; T117-K119 PolarHBondContact O-NZ 2.92Å |
| 118 | C | 91.3 | Very high | 88.9 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 8% | 0.081 | 28% | 0.284 | C | S | . | . | trans | -57.8 | 148 | -177 | -169.7 | 0 | 0 | 0 | 0 | 113.6 | V75 C108 V114 G189 | V75-C118 HydrophobicContact CB-CB 4.2Å; V75-C118 HydrophobicContact CG1-CB 4.37Å; C108-C118 VanDerWaalsContact CA-SG 3.56Å; C108-C118 HydrophobicContact CB-CB 3.81Å; C108-C118 WeakPolarHBondContact CB-SG 3.23Å; C108-C118 VanDerWaalsContact SG-C 3.57Å; C108-C118 WeakPolarHBondContact SG-CB 3.43Å; C108-C118 CovalentContact SG-SG 2.04Å; C108-C118 PolarHBondContact SG-SG 3.48Å; V114-C118 HydrophobicContact CB-CB 3.81Å; V114-C118 HydrophobicContact CG2-CB 3.46Å; V114-C118 VanDerWaalsContact CG2-CB 3.46Å; V114-C118 WeakPolarHBondContact O-CB 3.36Å; V114-C118 PolarHBondContact O-N 3.47Å; C118-G189 CarbonylContact C-O 3.43Å; C118-G189 VanDerWaalsContact CA-O 3.31Å; C118-G189 WeakPolarHBondContact CA-O 3.36Å | ||
| 119 | K | 91.3 | Very high | 89.2 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 33% | 0.33 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -134.7 | 149.8 | 178.5 | -56.3 | -70.6 | 162.2 | -88.3 | 0 | 110.3 | C108 G116 T117 V188 G189 A190 | C108-K119 PolarHBondContact SG-N 2.94Å; G116-K119 PolarHBondContact O-NZ 2.94Å; T117-K119 PolarHBondContact O-NZ 2.92Å; K119-V188 HydrophobicContact CG-CG2 4.34Å; K119-G189 PolarHBondContact N-O 2.64Å; K119-A190 HydrophobicContact CB-CB 4.47Å; K119-A190 WeakPolarHBondContact O-CA 3.01Å; K119-A190 VanDerWaalsContact O-CB 3.28Å; K119-A190 WeakPolarHBondContact O-CB 3.48Å |
| 120 | E | 90.8 | Very high | 89.6 | Confident | 73 Ų | 73 | 45.3 Ų | 45.3 | 34% | 0.341 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -110.2 | 24.1 | 178.3 | -57.6 | -173.1 | 133.6 | 0 | 0 | 111.7 | L105 D107 C108 | L105-E120 WeakPolarHBondContact CD1-O 3.28Å; L105-E120 HydrophobicContact CD2-CB 3.9Å; L105-E120 HydrophobicContact CD2-CG 4.28Å; D107-E120 WeakPolarHBondContact CA-OE1 3.19Å; C108-E120 HydrophobicContact CB-CG 4.15Å; C108-E120 PolarHBondContact N-OE1 2.81Å; C108-E120 WeakPolarHBondContact SG-CG 3.26Å |
| 121 | T | 92.9 | Very high | 90 | Very high | 43 Ų | 43 | 48.3 Ų | 48.3 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 154.8 | -176.4 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | T147 I148 A149 | T121-T147 HydrophobicContact CG2-CG2 4.23Å; T121-I148 WeakPolarHBondContact CA-O 3.35Å; T121-I148 WeakPolarHBondContact CB-O 3.36Å; T121-A149 HydrophobicContact CG2-CB 3.83Å |
| 122 | F | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 160.7 | 170.2 | 66.8 | -79.4 | 0 | 0 | 0 | 109.8 | I101 F103 I148 F185 I192 L194 | I101-F122 HydrophobicContact CD1-CE2 4.45Å; I101-F122 HydrophobicContact CG2-CZ 4.28Å; F103-F122 HydrophobicContact CD1-CE1 4.24Å; F103-F122 HydrophobicContact CD1-CZ 4.27Å; F103-F122 AromaticContact CD2-CE1 3.97Å; F103-F122 HydrophobicContact CD2-CE1 3.97Å; F103-F122 HydrophobicContact CE1-CE1 4.12Å; F103-F122 HydrophobicContact CE1-CZ 4.34Å; F103-F122 AromaticContact CE2-CE1 3.83Å; F103-F122 HydrophobicContact CE2-CE1 3.83Å; F103-F122 HydrophobicContact CG-CE1 4.18Å; F103-F122 HydrophobicContact CG-CZ 4.46Å; F103-F122 AromaticContact CZ-CE1 3.91Å; F103-F122 HydrophobicContact CZ-CE1 3.91Å; F122-I148 HydrophobicContact CD1-CB 3.98Å; F122-I148 HydrophobicContact CD1-CG2 4.36Å; F122-I148 HydrophobicContact CD2-CB 4.31Å; F122-I148 HydrophobicContact CD2-CG1 4.42Å; F122-I148 HydrophobicContact CE1-CB 3.54Å; F122-I148 HydrophobicContact CE1-CG1 4.42Å; F122-I148 HydrophobicContact CE1-CG2 3.49Å; F122-I148 VanDerWaalsContact CE1-CG2 3.49Å; F122-I148 HydrophobicContact CE2-CB 3.88Å; F122-I148 HydrophobicContact CE2-CG1 3.86Å; F122-I148 HydrophobicContact CE2-CG2 4.31Å; F122-I148 HydrophobicContact CG-CB 4.36Å; F122-I148 HydrophobicContact CZ-CB 3.5Å; F122-I148 VanDerWaalsContact CZ-CB 3.5Å; F122-I148 HydrophobicContact CZ-CG1 3.88Å; F122-I148 HydrophobicContact CZ-CG2 3.47Å; F122-I148 VanDerWaalsContact CZ-CG2 3.47Å; F122-I148 PolarHBondContact N-O 3.22Å; F122-I148 PolarHBondContact O-N 3.43Å; F122-F185 HydrophobicContact CD2-CD1 4.44Å; F122-F185 HydrophobicContact CE2-CD1 4Å; F122-I192 HydrophobicContact CB-CD1 4.45Å; F122-I192 HydrophobicContact CD1-CD1 3.18Å; F122-I192 HydrophobicContact CD2-CD1 4.43Å; F122-I192 HydrophobicContact CE1-CD1 3.29Å; F122-I192 HydrophobicContact CG-CD1 3.8Å; F122-I192 HydrophobicContact CZ-CD1 3.99Å; F122-L194 HydrophobicContact CE2-CD2 4.21Å; F122-L194 HydrophobicContact CZ-CD2 4.14Å |
| 123 | N | 96.8 | Very high | 90.8 | Very high | 18 Ų | 18 | 53 Ų | 53 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137.7 | -178.6 | -61.1 | -47.4 | 0 | 0 | 0 | 110.9 | Y125 K144 F185 Q186 | N123-Y125 HydrophobicContact CB-CD2 4.18Å; N123-Y125 HydrophobicContact CB-CE2 3.45Å; N123-Y125 VanDerWaalsContact CB-CE2 3.45Å; N123-K144 WeakPolarHBondContact OD1-CE 3.28Å; N123-K144 PolarHBondContact OD1-NZ 2.82Å; N123-F185 WeakPolarHBondContact O-CA 3.48Å; N123-Q186 HydrophobicContact CB-CB 4.21Å; N123-Q186 PolarHBondContact N-O 2.69Å; N123-Q186 PolarHBondContact ND2-OE1 2.86Å; N123-Q186 PolarHBondContact O-N 2.8Å |
| 124 | L | 97.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136 | 174.9 | -179.5 | 66.3 | 0 | 0 | 0 | 110.1 | I99 I101 I145 D146 I148 R171 F185 | I99-L124 HydrophobicContact CD1-CD2 4.48Å; I99-L124 HydrophobicContact CG2-CD2 4.42Å; I101-L124 HydrophobicContact CD1-CD1 3.88Å; I101-L124 HydrophobicContact CD1-CD2 3.79Å; I101-L124 HydrophobicContact CD1-CG 4.35Å; L124-I145 HydrophobicContact CB-CB 4.36Å; L124-I145 HydrophobicContact CD1-CD1 4.49Å; L124-I145 HydrophobicContact CD2-CB 4.09Å; L124-I145 HydrophobicContact CD2-CD1 3.89Å; L124-I145 HydrophobicContact CD2-CG2 4.06Å; L124-I145 HydrophobicContact CG-CB 4.06Å; L124-I145 HydrophobicContact CG-CD1 3.72Å; L124-I145 HydrophobicContact CG-CG1 4.35Å; L124-I145 PolarHBondContact O-N 2.95Å; L124-D146 PolarHBondContact N-O 3.47Å; L124-D146 PolarHBondContact O-N 3.04Å; L124-I148 HydrophobicContact CB-CD1 4.21Å; L124-I148 HydrophobicContact CB-CG1 3.93Å; L124-I148 HydrophobicContact CD2-CD1 4.27Å; L124-R171 HydrophobicContact CD2-CB 4.17Å; L124-R171 HydrophobicContact CD2-CG 4.29Å; L124-F185 HydrophobicContact CD1-CD1 3.8Å; L124-F185 HydrophobicContact CD1-CE1 3.48Å; L124-F185 VanDerWaalsContact CD1-CE1 3.48Å; L124-F185 HydrophobicContact CD1-CZ 4.17Å |
| 125 | Y | 96.3 | Very high | 90.9 | Very high | 33 Ų | 33 | 60.2 Ų | 60.2 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 159.6 | -177.3 | -69.1 | -98.2 | 0 | 0 | 0 | 112.5 | W83 N123 F142 V143 K144 L183 A184 Q186 | W83-Y125 HydrophobicContact CH2-CD1 4.01Å; W83-Y125 AromaticContact CH2-CD2 3.84Å; W83-Y125 HydrophobicContact CH2-CD2 3.84Å; W83-Y125 AromaticContact CH2-CE1 3.91Å; W83-Y125 HydrophobicContact CH2-CE1 3.91Å; W83-Y125 AromaticContact CH2-CE2 3.71Å; W83-Y125 HydrophobicContact CH2-CE2 3.71Å; W83-Y125 HydrophobicContact CH2-CG 4Å; W83-Y125 AromaticContact CH2-CZ 3.76Å; W83-Y125 HydrophobicContact CZ2-CE2 4.43Å; W83-Y125 HydrophobicContact CZ3-CD1 4.28Å; W83-Y125 AromaticContact CZ3-CD2 3.69Å; W83-Y125 HydrophobicContact CZ3-CD2 3.69Å; W83-Y125 HydrophobicContact CZ3-CE2 4.01Å; W83-Y125 AromaticContact CZ3-CG 3.85Å; W83-Y125 HydrophobicContact CZ3-CG 3.85Å; N123-Y125 HydrophobicContact CB-CD2 4.18Å; N123-Y125 HydrophobicContact CB-CE2 3.45Å; N123-Y125 VanDerWaalsContact CB-CE2 3.45Å; Y125-F142 HydrophobicContact CD1-CB 3.83Å; Y125-F142 HydrophobicContact CG-CB 4.24Å; Y125-V143 WeakPolarHBondContact CA-O 3.46Å; Y125-K144 VanDerWaalsContact CD1-CA 3.41Å; Y125-K144 HydrophobicContact CD1-CB 3.82Å; Y125-K144 HydrophobicContact CD1-CG 4.43Å; Y125-K144 HydrophobicContact CE1-CB 3.54Å; Y125-K144 HydrophobicContact CE1-CG 4.1Å; Y125-L183 WeakPolarHBondContact O-CA 3.34Å; Y125-A184 PolarHBondContact N-O 3.17Å; Y125-A184 PolarHBondContact O-N 2.72Å; Y125-Q186 HydrophobicContact CD2-CB 4.22Å; Y125-Q186 HydrophobicContact CE2-CB 3.74Å; Y125-Q186 HydrophobicContact CE2-CG 4.49Å; Y125-Q186 VanDerWaalsContact CE2-OE1 3.31Å; Y125-Q186 PolarHBondContact OH-OE1 2.85Å |
| 126 | Y | 96.9 | Very high | 91.4 | Very high | 44 Ų | 44 | 59.2 Ų | 59.2 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 160.3 | 166.3 | 78.2 | -61.2 | 0 | 0 | 0 | 112.6 | E128 V143 I145 V173 L176 Y182 | Y126-E128 HydrophobicContact CD2-CG 4.49Å; Y126-E128 HydrophobicContact CE2-CG 4.23Å; Y126-V143 HydrophobicContact CD1-CB 4.14Å; Y126-V143 HydrophobicContact CE1-CB 3.81Å; Y126-V143 HydrophobicContact CE1-CG1 3.9Å; Y126-V143 PolarHBondContact N-O 2.74Å; Y126-V143 PolarHBondContact O-N 2.79Å; Y126-I145 HydrophobicContact CD1-CD1 3.98Å; Y126-I145 HydrophobicContact CD1-CG1 3.54Å; Y126-I145 HydrophobicContact CE1-CG1 4.22Å; Y126-I145 HydrophobicContact CG-CD1 4.26Å; Y126-I145 HydrophobicContact CG-CG1 4.32Å; Y126-V173 HydrophobicContact CD1-CG1 3.88Å; Y126-V173 HydrophobicContact CD2-CB 4.41Å; Y126-V173 HydrophobicContact CD2-CG1 4.4Å; Y126-V173 HydrophobicContact CD2-CG2 4.48Å; Y126-V173 HydrophobicContact CE1-CB 4.5Å; Y126-V173 HydrophobicContact CE1-CG1 3.91Å; Y126-V173 HydrophobicContact CE2-CB 4.26Å; Y126-V173 HydrophobicContact CE2-CG1 4.45Å; Y126-V173 HydrophobicContact CG-CG1 4.12Å; Y126-L176 HydrophobicContact CD2-CD2 4.16Å; Y126-L176 HydrophobicContact CE2-CD2 3.71Å; Y126-Y182 CarbonylContact C-O 3.55Å; Y126-Y182 VanDerWaalsContact CA-O 3.24Å; Y126-Y182 WeakPolarHBondContact CA-O 3.45Å |
| 127 | Y | 94.6 | Very high | 91.7 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 122.3 | 170.5 | 168.9 | -124.2 | 0 | 0 | 0 | 109.9 | Q141 F181 Y182 | Y127-Q141 HydrophobicContact CD1-CB 4.5Å; Y127-Q141 HydrophobicContact CD2-CB 3.98Å; Y127-Q141 WeakPolarHBondContact CD2-O 3.42Å; Y127-Q141 HydrophobicContact CE2-CB 4.04Å; Y127-Q141 HydrophobicContact CG-CB 4.25Å; Y127-Q141 VanDerWaalsContact CZ-NE2 3.26Å; Y127-Q141 PolarHBondContact OH-NE2 2.79Å; Y127-F181 CarbonylContact O-C 3.43Å; Y127-F181 WeakPolarHBondContact O-CA 3.34Å; Y127-F181 WeakPolarHBondContact O-CB 3.26Å; Y127-Y182 HydrophobicContact CD1-CD2 4.24Å; Y127-Y182 PolarHBondContact N-O 3.43Å; Y127-Y182 PolarHBondContact O-N 2.82Å |
| 128 | E | 95.6 | Very high | 91.4 | Very high | 34 Ų | 34 | 61.7 Ų | 61.7 | 16% | 0.159 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 128.9 | 174.4 | -69.7 | -160.6 | -102.9 | 0 | 0 | 112 | Y126 L176 S177 K178 | Y126-E128 HydrophobicContact CD2-CG 4.49Å; Y126-E128 HydrophobicContact CE2-CG 4.23Å; E128-L176 HydrophobicContact CG-CD2 3.92Å; E128-S177 PolarHBondContact OE1-OG 2.79Å; E128-S177 PolarHBondContact OE2-N 2.72Å; E128-S177 PolarHBondContact OE2-OG 2.96Å; E128-K178 HydrophobicContact CB-CB 4.1Å; E128-K178 HydrophobicContact CB-CD 3.73Å; E128-K178 HydrophobicContact CB-CG 4.12Å; E128-K178 VanDerWaalsContact O-CD 3.29Å; E128-K178 WeakPolarHBondContact O-CD 3.27Å; E128-K178 PolarHBondContact OE2-N 2.86Å |
| 129 | S | 94.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 143.6 | 176.1 | -165.8 | 0 | 0 | 0 | 0 | 112.9 | W88 N131 E134 G180 | W88-S129 PolarHBondContact NE1-O 2.94Å; S129-N131 VanDerWaalsContact C-N 3.3Å; S129-N131 PolarHBondContact OG-N 2.88Å; S129-E134 WeakPolarHBondContact CB-OE1 3.35Å; S129-E134 PolarHBondContact OG-OE1 2.78Å; S129-G180 PolarHBondContact N-O 2.66Å; S129-G180 CarbonylContact O-C 3.47Å; S129-G180 PolarHBondContact O-N 2.87Å |
| 130 | D | 94.1 | Very high | 90.6 | Very high | 75 Ų | 75 | 68.9 Ų | 68.9 | 40% | 0.401 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -88.6 | -1.2 | 170.7 | -58.4 | -70 | 0 | 0 | 0 | 112.5 | K178 K179 | D130-K178 WeakPolarHBondContact OD1-CA 3.47Å; D130-K178 WeakPolarHBondContact OD1-CB 3.16Å; D130-K178 WeakPolarHBondContact OD2-CD 3.33Å; D130-K178 WeakPolarHBondContact OD2-CG 3.39Å; D130-K178 IonicContact OD2-NZ 2.64Å; D130-K178 PolarHBondContact OD2-NZ 3Å; D130-K179 PolarHBondContact OD1-N 2.92Å |
| 131 | N | 93.5 | Very high | 90.5 | Very high | 73 Ų | 73 | 68.2 Ų | 68.2 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | trans | -102.1 | 125.8 | 175.4 | 179.3 | 17.9 | 0 | 0 | 0 | 109.5 | W88 S129 K133 E134 Y182 | W88-N131 VanDerWaalsContact CD1-O 3.24Å; S129-N131 VanDerWaalsContact C-N 3.3Å; S129-N131 PolarHBondContact OG-N 2.88Å; N131-K133 PolarHBondContact OD1-N 2.96Å; N131-E134 HydrophobicContact CB-CG 4.23Å; N131-E134 WeakPolarHBondContact ND2-CG 3.33Å; N131-Y182 PolarHBondContact O-OH 2.79Å | ||
| 132 | D | 90.9 | Very high | 90.5 | Very high | 79 Ų | 79 | 67.1 Ų | 67.1 | 42% | 0.422 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -85 | -16.1 | -179.9 | 61.9 | -29.7 | 0 | 0 | 0 | 113.3 | W88 Y182 | W88-D132 HydrophobicContact CB-CB 4.33Å; W88-D132 HydrophobicContact CD2-CB 3.9Å; W88-D132 HydrophobicContact CE3-CB 4.02Å; W88-D132 HydrophobicContact CG-CB 4.07Å; D132-Y182 PolarHBondContact O-OH 2.89Å |
| 133 | K | 90.6 | Very high | 90.4 | Very high | 152 Ų | 152 | 71.1 Ų | 71.1 | 66% | 0.661 | 33% | 0.328 | S | S | * | . | trans | -116.2 | 37.1 | -166.2 | -66.2 | 170.4 | -170.1 | 85.5 | 0 | 114.1 | N131 R135 | N131-K133 PolarHBondContact OD1-N 2.96Å; K133-R135 PolarHBondContact O-N 2.7Å | ||
| 134 | E | 87.6 | Confident | 90.4 | Very high | 24 Ų | 24 | 74.3 Ų | 74.3 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | trans | -70.8 | 114 | 174.4 | -64.5 | -166.7 | -145.7 | 0 | 0 | 111.3 | R85 S129 N131 Y182 | R85-E134 PolarHBondContact NH1-O 2.78Å; R85-E134 PolarHBondContact NH2-O 2.93Å; R85-E134 VanDerWaalsContact NH2-O 3.14Å; S129-E134 WeakPolarHBondContact CB-OE1 3.35Å; S129-E134 PolarHBondContact OG-OE1 2.78Å; N131-E134 HydrophobicContact CB-CG 4.23Å; N131-E134 WeakPolarHBondContact ND2-CG 3.33Å; E134-Y182 HydrophobicContact CB-CE2 3.93Å; E134-Y182 WeakPolarHBondContact CB-OH 3.19Å; E134-Y182 HydrophobicContact CG-CE2 4.03Å; E134-Y182 PolarHBondContact N-OH 2.95Å | ||
| 135 | R | 81.3 | Confident | 90.2 | Very high | 204 Ų | 204 | 76 Ų | 76 | 77% | 0.77 | 35% | 0.35 | S | S | * | . | trans | -82.8 | -14.1 | -170.5 | -167.3 | 172.5 | -175.1 | -178.2 | 2.3 | 115.2 | K133 | K133-R135 PolarHBondContact O-N 2.7Š| ||
| 136 | F | 83.3 | Confident | 90.2 | Very high | 147 Ų | 147 | 77.2 Ų | 77.2 | 65% | 0.645 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -136.1 | 153.2 | -174.4 | -59.5 | -73.8 | 0 | 0 | 0 | 110.9 | ||
| 137 | I | 83.3 | Confident | 90.1 | Very high | 26 Ų | 26 | 77.9 Ų | 77.9 | 13% | 0.133 | 37% | 0.368 | C | S | . | . | trans | -75.3 | 137.7 | 169.9 | -54.2 | -175.7 | 0 | 0 | 0 | 108.6 | I46 W83 R85 E139 F142 | I46-I137 HydrophobicContact CG2-CD1 4.46Å; I46-I137 HydrophobicContact CG2-CG1 4.16Å; W83-I137 HydrophobicContact CB-CD1 3.7Å; W83-I137 HydrophobicContact CB-CG2 4.49Å; W83-I137 HydrophobicContact CD2-CG2 4.46Å; W83-I137 HydrophobicContact CE3-CG2 4.34Å; R85-I137 HydrophobicContact CB-CD1 3.74Å; R85-I137 HydrophobicContact CB-CG1 3.86Å; I137-E139 HydrophobicContact CG2-CG 4.42Å; I137-F142 HydrophobicContact CG2-CD2 4.38Å; I137-F142 HydrophobicContact CG2-CE2 3.78Å; I137-F142 HydrophobicContact CG2-CZ 4.5Å | ||
| 138 | R | 80.8 | Confident | 90.1 | Very high | 131 Ų | 131 | 75.8 Ų | 75.8 | 49% | 0.494 | 36% | 0.36 | S | S | . | . | trans | -124.2 | 88 | 175.1 | -67.8 | 178.4 | 176.5 | 170.4 | 1.8 | 109.2 | N140 Q141 F142 | R138-N140 PolarHBondContact O-N 2.82Å; R138-Q141 HydrophobicContact CB-CB 4.44Å; R138-Q141 HydrophobicContact CB-CG 4.16Å; R138-Q141 PolarHBondContact O-N 3.4Å; R138-F142 VanDerWaalsContact O-CD2 3.28Å; R138-F142 WeakPolarHBondContact O-CD2 3.21Å | ||
| 139 | E | 80.4 | Confident | 89.8 | Confident | 91 Ų | 91 | 76.4 Ų | 76.4 | 43% | 0.425 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -51.2 | -31.8 | -171.1 | -61.4 | 178.5 | -120.4 | 0 | 0 | 113.4 | N81 W83 I137 Q141 | N81-E139 PolarHBondContact ND2-OE2 2.78Å; W83-E139 HydrophobicContact CD2-CG 4.29Å; W83-E139 HydrophobicContact CZ2-CB 4.08Å; W83-E139 HydrophobicContact CZ2-CG 3.95Å; W83-E139 VanDerWaalsContact NE1-CD 3.34Å; W83-E139 PolarHBondContact NE1-OE2 3.03Å; I137-E139 HydrophobicContact CG2-CG 4.42Å; E139-Q141 VanDerWaalsContact C-N 3.32Å; E139-Q141 PolarHBondContact O-N 3.23Å |
| 140 | N | 84.6 | Confident | 89.4 | Confident | 148 Ų | 148 | 77.3 Ų | 77.3 | 79% | 0.791 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -76.5 | -6.3 | 179.2 | 73.4 | -35.5 | 0 | 0 | 0 | 115.9 | R138 | R138-N140 PolarHBondContact O-N 2.82Š|
| 141 | Q | 88.6 | Confident | 88.4 | Confident | 59 Ų | 59 | 80.8 Ų | 80.8 | 28% | 0.276 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -102 | -11.8 | 177.7 | -62.1 | -157.4 | -111.8 | 0 | 0 | 113.5 | Y127 R138 E139 | Y127-Q141 HydrophobicContact CD1-CB 4.5Å; Y127-Q141 HydrophobicContact CD2-CB 3.98Å; Y127-Q141 WeakPolarHBondContact CD2-O 3.42Å; Y127-Q141 HydrophobicContact CE2-CB 4.04Å; Y127-Q141 HydrophobicContact CG-CB 4.25Å; Y127-Q141 VanDerWaalsContact CZ-NE2 3.26Å; Y127-Q141 PolarHBondContact OH-NE2 2.79Å; R138-Q141 HydrophobicContact CB-CB 4.44Å; R138-Q141 HydrophobicContact CB-CG 4.16Å; R138-Q141 PolarHBondContact O-N 3.4Å; E139-Q141 VanDerWaalsContact C-N 3.32Å; E139-Q141 PolarHBondContact O-N 3.23Å |
| 142 | F | 93.2 | Very high | 87.3 | Confident | 21 Ų | 21 | 82.7 Ų | 82.7 | 9% | 0.092 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 132.9 | -178.2 | -76.9 | -84.7 | 0 | 0 | 0 | 112.1 | W83 R85 Y125 I137 R138 A184 | W83-F142 HydrophobicContact CH2-CB 4.32Å; W83-F142 HydrophobicContact CZ3-CB 4.22Å; W83-F142 HydrophobicContact CZ3-CD2 4.32Å; W83-F142 HydrophobicContact CZ3-CG 4.17Å; R85-F142 HydrophobicContact CG-CE1 4.29Å; R85-F142 HydrophobicContact CG-CZ 3.88Å; Y125-F142 HydrophobicContact CD1-CB 3.83Å; Y125-F142 HydrophobicContact CG-CB 4.24Å; I137-F142 HydrophobicContact CG2-CD2 4.38Å; I137-F142 HydrophobicContact CG2-CE2 3.78Å; I137-F142 HydrophobicContact CG2-CZ 4.5Å; R138-F142 VanDerWaalsContact O-CD2 3.28Å; R138-F142 WeakPolarHBondContact O-CD2 3.21Å; F142-A184 HydrophobicContact CD1-CB 3.95Å; F142-A184 HydrophobicContact CE1-CB 3.7Å; F142-A184 HydrophobicContact CZ-CB 4.21Å |
| 143 | V | 94.2 | Very high | 86.4 | Confident | 83 Ų | 83 | 80.7 Ų | 80.7 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.1 | 171.8 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | Y125 Y126 I145 | Y125-V143 WeakPolarHBondContact CA-O 3.46Å; Y126-V143 HydrophobicContact CD1-CB 4.14Å; Y126-V143 HydrophobicContact CE1-CB 3.81Å; Y126-V143 HydrophobicContact CE1-CG1 3.9Å; Y126-V143 PolarHBondContact N-O 2.74Å; Y126-V143 PolarHBondContact O-N 2.79Å; V143-I145 PolarHBondContact O-N 2.8Å |
| 144 | K | 96 | Very high | 85.3 | Confident | 85 Ų | 85 | 75 Ų | 75 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 131.6 | 176.4 | -172.3 | 169.3 | 169.4 | 174.9 | 0 | 109.7 | N123 Y125 D146 T147 | N123-K144 WeakPolarHBondContact OD1-CE 3.28Å; N123-K144 PolarHBondContact OD1-NZ 2.82Å; Y125-K144 VanDerWaalsContact CD1-CA 3.41Å; Y125-K144 HydrophobicContact CD1-CB 3.82Å; Y125-K144 HydrophobicContact CD1-CG 4.43Å; Y125-K144 HydrophobicContact CE1-CB 3.54Å; Y125-K144 HydrophobicContact CE1-CG 4.1Å; K144-D146 WeakPolarHBondContact CE-O 3.37Å; K144-T147 WeakPolarHBondContact CE-OG1 3.2Å; K144-T147 PolarHBondContact NZ-OG1 3.01Å |
| 145 | I | 95.1 | Very high | 84.4 | Confident | 37 Ų | 37 | 75.8 Ų | 75.8 | 19% | 0.19 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -61.1 | 171.8 | -58.9 | 170.4 | 0 | 0 | 0 | 108.3 | I99 L124 Y126 V143 R171 V173 L183 | I99-I145 HydrophobicContact CD1-CD1 3.57Å; L124-I145 HydrophobicContact CB-CB 4.36Å; L124-I145 HydrophobicContact CD1-CD1 4.49Å; L124-I145 HydrophobicContact CD2-CB 4.09Å; L124-I145 HydrophobicContact CD2-CD1 3.89Å; L124-I145 HydrophobicContact CD2-CG2 4.06Å; L124-I145 HydrophobicContact CG-CB 4.06Å; L124-I145 HydrophobicContact CG-CD1 3.72Å; L124-I145 HydrophobicContact CG-CG1 4.35Å; L124-I145 PolarHBondContact O-N 2.95Å; Y126-I145 HydrophobicContact CD1-CD1 3.98Å; Y126-I145 HydrophobicContact CD1-CG1 3.54Å; Y126-I145 HydrophobicContact CE1-CG1 4.22Å; Y126-I145 HydrophobicContact CG-CD1 4.26Å; Y126-I145 HydrophobicContact CG-CG1 4.32Å; V143-I145 PolarHBondContact O-N 2.8Å; I145-R171 HydrophobicContact CG2-CB 3.94Å; I145-R171 HydrophobicContact CG2-CG 4.4Å; I145-V173 HydrophobicContact CD1-CG1 3.56Å; I145-V173 HydrophobicContact CG1-CG1 3.61Å; I145-V173 HydrophobicContact CG2-CG1 4.15Å; I145-L183 HydrophobicContact CD1-CD2 4.2Å |
| 146 | D | 95.2 | Very high | 83.3 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 31% | 0.31 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 171.2 | -178.6 | -162 | 12.9 | 0 | 0 | 0 | 112.5 | L124 K144 I148 R171 | L124-D146 PolarHBondContact N-O 3.47Å; L124-D146 PolarHBondContact O-N 3.04Å; K144-D146 WeakPolarHBondContact CE-O 3.37Å; D146-I148 HydrophobicContact CB-CD1 4.1Å; D146-R171 HydrophobicContact CB-CG 4.42Å; D146-R171 IonicContact OD2-CZ 3.58Å; D146-R171 VanDerWaalsContact OD2-CZ 3.26Å; D146-R171 IonicContact OD2-NE 3.34Å; D146-R171 PolarHBondContact OD2-NE 2.04Å; D146-R171 IonicContact OD2-NH2 2.73Å; D146-R171 PolarHBondContact OD2-NH2 3.05Å |
| 147 | T | 94.4 | Very high | 82.2 | Confident | 58 Ų | 58 | 70.8 Ų | 70.8 | 36% | 0.356 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 114.5 | 162.1 | -38.8 | 0 | 0 | 0 | 0 | 107.9 | T121 K144 | T121-T147 HydrophobicContact CG2-CG2 4.23Å; K144-T147 WeakPolarHBondContact CE-OG1 3.2Å; K144-T147 PolarHBondContact NZ-OG1 3.01Å |
| 148 | I | 94.4 | Very high | 81 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 131 | -179.9 | -47.9 | -58.4 | 0 | 0 | 0 | 109.2 | F103 T121 F122 L124 D146 E169 R171 | F103-I148 HydrophobicContact CE1-CG2 3.92Å; F103-I148 HydrophobicContact CZ-CG2 3.97Å; T121-I148 WeakPolarHBondContact CA-O 3.35Å; T121-I148 WeakPolarHBondContact CB-O 3.36Å; F122-I148 HydrophobicContact CD1-CB 3.98Å; F122-I148 HydrophobicContact CD1-CG2 4.36Å; F122-I148 HydrophobicContact CD2-CB 4.31Å; F122-I148 HydrophobicContact CD2-CG1 4.42Å; F122-I148 HydrophobicContact CE1-CB 3.54Å; F122-I148 HydrophobicContact CE1-CG1 4.42Å; F122-I148 HydrophobicContact CE1-CG2 3.49Å; F122-I148 VanDerWaalsContact CE1-CG2 3.49Å; F122-I148 HydrophobicContact CE2-CB 3.88Å; F122-I148 HydrophobicContact CE2-CG1 3.86Å; F122-I148 HydrophobicContact CE2-CG2 4.31Å; F122-I148 HydrophobicContact CG-CB 4.36Å; F122-I148 HydrophobicContact CZ-CB 3.5Å; F122-I148 VanDerWaalsContact CZ-CB 3.5Å; F122-I148 HydrophobicContact CZ-CG1 3.88Å; F122-I148 HydrophobicContact CZ-CG2 3.47Å; F122-I148 VanDerWaalsContact CZ-CG2 3.47Å; F122-I148 PolarHBondContact N-O 3.22Å; F122-I148 PolarHBondContact O-N 3.43Å; L124-I148 HydrophobicContact CB-CD1 4.21Å; L124-I148 HydrophobicContact CB-CG1 3.93Å; L124-I148 HydrophobicContact CD2-CD1 4.27Å; D146-I148 HydrophobicContact CB-CD1 4.1Å; I148-E169 HydrophobicContact CG2-CB 3.99Å; I148-E169 HydrophobicContact CG2-CG 3.81Å; I148-R171 HydrophobicContact CD1-CG 3.92Å |
| 149 | A | 90.1 | Very high | 80 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 163.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | F103 T121 | F103-A149 WeakPolarHBondContact CZ-O 3.07Å; T121-A149 HydrophobicContact CG2-CB 3.83Å |
| 150 | A | 84.8 | Confident | 78.8 | Confident | 27 Ų | 27 | 67 Ų | 67 | 22% | 0.223 | 38% | 0.378 | C | S | . | . | trans | -88.9 | 137.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F103 L105 N167 | F103-A150 HydrophobicContact CE2-CB 4.09Å; F103-A150 HydrophobicContact CZ-CB 4.37Å; L105-A150 HydrophobicContact CB-CB 4.04Å; L105-A150 HydrophobicContact CD2-CB 4.3Å; A150-N167 WeakPolarHBondContact CA-OD1 3.05Å; A150-N167 WeakPolarHBondContact CB-OD1 3.33Å | ||
| 151 | D | 74.6 | Confident | 77.4 | Confident | 147 Ų | 147 | 65.4 Ų | 65.4 | 79% | 0.786 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -70 | -37.8 | 165.1 | -86.3 | -18.8 | 0 | 0 | 0 | 110.4 | N167 | D151-N167 PolarHBondContact N-OD1 2.82Š|
| 152 | E | 70.6 | Confident | 76.2 | Confident | 113 Ų | 113 | 73.4 Ų | 73.4 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -132.7 | 119 | 172.4 | -65 | -165.7 | -134.4 | 0 | 0 | 111.8 | K165 N167 | E152-K165 HydrophobicContact CB-CD 3.79Å; E152-K165 WeakPolarHBondContact OE2-CD 3.38Å; E152-K165 WeakPolarHBondContact OE2-CE 3.25Å; E152-K165 IonicContact OE2-NZ 3.78Å; E152-K165 PolarHBondContact OE2-NZ 3.46Å; E152-N167 PolarHBondContact N-OD1 2.96Å; E152-N167 PolarHBondContact O-ND2 2.85Å; E152-N167 PolarHBondContact O-OD1 2.91Å |
| 153 | S | 71.2 | Confident | 74.6 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 27% | 0.266 | 42% | 0.415 | S | S | . | . | trans | -85.2 | 153.3 | 165.2 | 57.3 | 0 | 0 | 0 | 0 | 111.1 | L105 | L105-S153 WeakPolarHBondContact O-CA 3.26Š| ||
| 154 | F | 67.5 | Low | 73.2 | Confident | 31 Ų | 31 | 78.8 Ų | 78.8 | 14% | 0.136 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -101.8 | 142.4 | 175.8 | 69.3 | -93.3 | 0 | 0 | 0 | 112.1 | L105 R106 D107 D158 I159 K165 | L105-F154 VanDerWaalsContact C-CE1 3.44Å; L105-F154 WeakPolarHBondContact O-CD1 3.32Å; L105-F154 WeakPolarHBondContact O-CE1 3.27Å; L105-F154 PolarHBondContact O-N 2.95Å; R106-F154 HydrophobicContact CB-CD2 4.42Å; R106-F154 HydrophobicContact CB-CE1 3.99Å; R106-F154 HydrophobicContact CB-CE2 3.86Å; R106-F154 HydrophobicContact CB-CZ 3.62Å; R106-F154 HydrophobicContact CG-CD2 4.28Å; R106-F154 HydrophobicContact CG-CE2 3.88Å; R106-F154 HydrophobicContact CG-CZ 4.17Å; D107-F154 PolarHBondContact N-O 3.08Å; F154-D158 HydrophobicContact CB-CB 4.18Å; F154-I159 HydrophobicContact CD2-CD1 4.09Å; F154-I159 HydrophobicContact CD2-CG1 3.88Å; F154-I159 HydrophobicContact CE2-CD1 3.93Å; F154-I159 HydrophobicContact CE2-CG1 4.01Å; F154-K165 HydrophobicContact CB-CB 4.33Å; F154-K165 HydrophobicContact CB-CD 4.48Å; F154-K165 HydrophobicContact CB-CG 4.2Å |
| 155 | T | 68.4 | Low | 72.3 | Confident | 42 Ų | 42 | 77.1 Ų | 77.1 | 26% | 0.258 | 41% | 0.414 | S | S | . | . | trans | -107.8 | -179.9 | -174.5 | 76.7 | 0 | 0 | 0 | 0 | 111.9 | D107 V157 D158 I159 | D107-T155 HydrophobicContact CB-CG2 4.32Å; T155-V157 PolarHBondContact O-N 3.27Å; T155-V157 PolarHBondContact OG1-N 3.01Å; T155-D158 WeakPolarHBondContact CA-OD2 3.48Å; T155-D158 VanDerWaalsContact CB-OD2 3.31Å; T155-D158 WeakPolarHBondContact CB-OD2 3.29Å; T155-D158 PolarHBondContact N-OD2 2.85Å; T155-D158 PolarHBondContact O-N 3.16Å; T155-D158 PolarHBondContact OG1-OD2 3.39Å; T155-I159 WeakPolarHBondContact O-CG1 3.48Å; T155-I159 PolarHBondContact O-N 2.95Å | ||
| 156 | Q | 58.4 | Low | 71.7 | Confident | 142 Ų | 142 | 78.8 Ų | 78.8 | 66% | 0.664 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.3 | -19.2 | 174.2 | -167 | 170.1 | 6 | 0 | 0 | 113.5 | ||
| 157 | V | 59.6 | Low | 71.3 | Confident | 104 Ų | 104 | 76.5 Ų | 76.5 | 63% | 0.63 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -75.7 | -48.8 | 174.9 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | T155 I159 G160 D161 | T155-V157 PolarHBondContact O-N 3.27Å; T155-V157 PolarHBondContact OG1-N 3.01Å; V157-I159 PolarHBondContact O-N 3.25Å; V157-G160 WeakPolarHBondContact O-CA 3.46Å; V157-G160 PolarHBondContact O-N 3.06Å; V157-D161 PolarHBondContact O-N 3Å |
| 158 | D | 58.9 | Low | 71.1 | Confident | 24 Ų | 24 | 76.7 Ų | 76.7 | 13% | 0.128 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.9 | -34.9 | 179.9 | -51.4 | -92.3 | 0 | 0 | 0 | 112.1 | F154 T155 G160 D161 R162 I163 K165 | F154-D158 HydrophobicContact CB-CB 4.18Å; T155-D158 WeakPolarHBondContact CA-OD2 3.48Å; T155-D158 VanDerWaalsContact CB-OD2 3.31Å; T155-D158 WeakPolarHBondContact CB-OD2 3.29Å; T155-D158 PolarHBondContact N-OD2 2.85Å; T155-D158 PolarHBondContact O-N 3.16Å; T155-D158 PolarHBondContact OG1-OD2 3.39Å; D158-G160 VanDerWaalsContact C-N 3.31Å; D158-G160 PolarHBondContact O-N 2.78Å; D158-D161 PolarHBondContact O-N 3.35Å; D158-R162 PolarHBondContact O-N 3.36Å; D158-I163 HydrophobicContact CB-CB 4.37Å; D158-I163 PolarHBondContact O-N 3.39Å; D158-K165 WeakPolarHBondContact OD1-CE 3.45Å; D158-K165 IonicContact OD1-NZ 2.66Å |
| 159 | I | 60 | Low | 71 | Confident | 82 Ų | 82 | 78.4 Ų | 78.4 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63 | -36 | 173.8 | -64.3 | 168.8 | 0 | 0 | 0 | 111.6 | F154 T155 V157 R162 | F154-I159 HydrophobicContact CD2-CD1 4.09Å; F154-I159 HydrophobicContact CD2-CG1 3.88Å; F154-I159 HydrophobicContact CE2-CD1 3.93Å; F154-I159 HydrophobicContact CE2-CG1 4.01Å; T155-I159 WeakPolarHBondContact O-CG1 3.48Å; T155-I159 PolarHBondContact O-N 2.95Å; V157-I159 PolarHBondContact O-N 3.25Å; I159-R162 PolarHBondContact O-N 2.76Å |
| 160 | G | 54.6 | Low | 71.2 | Confident | 62 Ų | 62 | 80.1 Ų | 80.1 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.1 | -43.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | V157 D158 R162 | V157-G160 WeakPolarHBondContact O-CA 3.46Å; V157-G160 PolarHBondContact O-N 3.06Å; D158-G160 VanDerWaalsContact C-N 3.31Å; D158-G160 PolarHBondContact O-N 2.78Å; G160-R162 VanDerWaalsContact C-N 3.26Å; G160-R162 PolarHBondContact O-N 3.32Å |
| 161 | D | 55.7 | Low | 71.7 | Confident | 115 Ų | 115 | 81.5 Ų | 81.5 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0.2 | 178.1 | -67.1 | -34.6 | 0 | 0 | 0 | 113.6 | V157 D158 I163 | V157-D161 PolarHBondContact O-N 3Å; D158-D161 PolarHBondContact O-N 3.35Å; D161-I163 VanDerWaalsContact C-N 3.27Å; D161-I163 HydrophobicContact CB-CD1 3.87Å; D161-I163 HydrophobicContact CB-CG1 3.92Å; D161-I163 PolarHBondContact O-N 3.4Å |
| 162 | R | 63.3 | Low | 72.6 | Confident | 226 Ų | 226 | 77.2 Ų | 77.2 | 85% | 0.853 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 25.7 | -175.2 | -52.6 | -179 | 175.3 | -168.1 | -2.5 | 114.7 | D158 I159 G160 M164 | D158-R162 PolarHBondContact O-N 3.36Å; I159-R162 PolarHBondContact O-N 2.76Å; G160-R162 VanDerWaalsContact C-N 3.26Å; G160-R162 PolarHBondContact O-N 3.32Å; R162-M164 PolarHBondContact O-N 2.88Å |
| 163 | I | 59.3 | Low | 73.7 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | trans | -85.1 | 97 | -179.8 | -58.6 | 175.9 | 0 | 0 | 0 | 108.9 | D158 D161 K165 | D158-I163 HydrophobicContact CB-CB 4.37Å; D158-I163 PolarHBondContact O-N 3.39Å; D161-I163 VanDerWaalsContact C-N 3.27Å; D161-I163 HydrophobicContact CB-CD1 3.87Å; D161-I163 HydrophobicContact CB-CG1 3.92Å; D161-I163 PolarHBondContact O-N 3.4Å; I163-K165 HydrophobicContact CG2-CG 4.45Å; I163-K165 PolarHBondContact O-N 2.85Å | ||
| 164 | M | 64.8 | Low | 74.6 | Confident | 126 Ų | 126 | 71.2 Ų | 71.2 | 62% | 0.621 | 37% | 0.371 | S | S | * | . | trans | -83.9 | 109.7 | 172.8 | -63.8 | -169.4 | 78.2 | 0 | 0 | 110.2 | T104 R162 L166 | T104-M164 HydrophobicContact CG2-CE 4.37Å; R162-M164 PolarHBondContact O-N 2.88Å; M164-L166 PolarHBondContact O-N 2.9Å | ||
| 165 | K | 76.6 | Confident | 75.8 | Confident | 51 Ų | 51 | 73.3 Ų | 73.3 | 22% | 0.222 | 39% | 0.388 | C | S | . | . | trans | -78 | 110.5 | 178 | -59.8 | -164.1 | -179.1 | -170.8 | 0 | 111.2 | T104 E152 F154 D158 I163 | T104-K165 WeakPolarHBondContact CG2-O 3.15Å; E152-K165 HydrophobicContact CB-CD 3.79Å; E152-K165 WeakPolarHBondContact OE2-CD 3.38Å; E152-K165 WeakPolarHBondContact OE2-CE 3.25Å; E152-K165 IonicContact OE2-NZ 3.78Å; E152-K165 PolarHBondContact OE2-NZ 3.46Å; F154-K165 HydrophobicContact CB-CB 4.33Å; F154-K165 HydrophobicContact CB-CD 4.48Å; F154-K165 HydrophobicContact CB-CG 4.2Å; D158-K165 WeakPolarHBondContact OD1-CE 3.45Å; D158-K165 IonicContact OD1-NZ 2.66Å; I163-K165 HydrophobicContact CG2-CG 4.45Å; I163-K165 PolarHBondContact O-N 2.85Å | ||
| 166 | L | 83.8 | Confident | 77 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 37% | 0.372 | 38% | 0.377 | S | S | . | . | trans | -99.1 | 102.6 | -177.6 | -174.8 | 68 | 0 | 0 | 0 | 111 | K102 T104 M164 V195 | K102-L166 HydrophobicContact CB-CD1 3.98Å; K102-L166 HydrophobicContact CB-CD2 4.44Å; K102-L166 HydrophobicContact CB-CG 4.25Å; K102-L166 HydrophobicContact CD-CD2 4.21Å; T104-L166 HydrophobicContact CG2-CD1 4.23Å; M164-L166 PolarHBondContact O-N 2.9Å; L166-V195 HydrophobicContact CD1-CB 3.78Å; L166-V195 HydrophobicContact CD1-CG1 4Å; L166-V195 HydrophobicContact CD1-CG2 3.76Å | ||
| 167 | N | 86.6 | Confident | 78.7 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 6% | 0.059 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 151.4 | 172.7 | -65.6 | -89.4 | 0 | 0 | 0 | 110.1 | K102 F103 A150 D151 E152 | K102-N167 VanDerWaalsContact CA-O 3.22Å; K102-N167 WeakPolarHBondContact CA-O 3.43Å; F103-N167 HydrophobicContact CD1-CB 4.06Å; F103-N167 HydrophobicContact CD2-CB 4.4Å; F103-N167 HydrophobicContact CE1-CB 3.66Å; F103-N167 HydrophobicContact CE2-CB 4.04Å; F103-N167 HydrophobicContact CG-CB 4.4Å; F103-N167 HydrophobicContact CZ-CB 3.65Å; F103-N167 PolarHBondContact N-O 2.83Å; F103-N167 VanDerWaalsContact N-O 3.16Å; F103-N167 WeakPolarHBondContact O-CB 3.23Å; F103-N167 PolarHBondContact O-N 3.42Å; A150-N167 WeakPolarHBondContact CA-OD1 3.05Å; A150-N167 WeakPolarHBondContact CB-OD1 3.33Å; D151-N167 PolarHBondContact N-OD1 2.82Å; E152-N167 PolarHBondContact N-OD1 2.96Å; E152-N167 PolarHBondContact O-ND2 2.85Å; E152-N167 PolarHBondContact O-OD1 2.91Å |
| 168 | T | 90.1 | Very high | 80.4 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 109.4 | 172.5 | -68 | 0 | 0 | 0 | 0 | 109.1 | E100 I101 K102 | E100-T168 HydrophobicContact CG-CG2 4.25Å; I101-T168 CarbonylContact O-C 3.56Å; I101-T168 WeakPolarHBondContact O-CA 3.4Å; K102-T168 WeakPolarHBondContact CD-OG1 3.46Å; K102-T168 HydrophobicContact CG-CG2 4.25Å; K102-T168 WeakPolarHBondContact CG-OG1 3.42Å; K102-T168 PolarHBondContact NZ-OG1 2.88Å |
| 169 | E | 92.7 | Very high | 82.1 | Confident | 36 Ų | 36 | 73 Ų | 73 | 17% | 0.168 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 138.9 | 179.3 | -80.6 | -74.3 | 84.8 | 0 | 0 | 110.7 | E100 I101 F103 I148 R171 | E100-E169 CarbonylContact C-O 3.58Å; E100-E169 WeakPolarHBondContact CA-O 3.44Å; I101-E169 PolarHBondContact N-O 2.89Å; I101-E169 PolarHBondContact O-N 3Å; F103-E169 HydrophobicContact CE1-CB 4.18Å; F103-E169 HydrophobicContact CE1-CG 3.89Å; F103-E169 HydrophobicContact CZ-CG 4.38Å; I148-E169 HydrophobicContact CG2-CB 3.99Å; I148-E169 HydrophobicContact CG2-CG 3.81Å; E169-R171 IonicContact OE1-NH1 3.71Å; E169-R171 IonicContact OE2-CZ 3.08Å; E169-R171 IonicContact OE2-NH1 3.39Å; E169-R171 PolarHBondContact OE2-NH1 2.83Å; E169-R171 IonicContact OE2-NH2 3.51Å; E169-R171 PolarHBondContact OE2-NH2 2.77Å |
| 170 | I | 93.8 | Very high | 83.7 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 43% | 0.426 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132 | 175.5 | -55.8 | -179.6 | 0 | 0 | 0 | 109.2 | I99 E100 | I99-I170 WeakPolarHBondContact O-CA 3.46Å; E100-I170 HydrophobicContact CB-CG1 4.15Å; E100-I170 HydrophobicContact CG-CG1 4.21Å |
| 171 | R | 95.3 | Very high | 85.7 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 21% | 0.211 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 166.1 | 169 | -65.6 | -60.6 | -179.5 | -73.3 | -10.6 | 110.4 | Y98 I99 L124 I145 D146 I148 E169 | Y98-R171 CarbonylContact C-O 3.6Å; Y98-R171 WeakPolarHBondContact CA-O 3.32Å; I99-R171 PolarHBondContact N-O 2.85Å; I99-R171 PolarHBondContact O-N 3.43Å; L124-R171 HydrophobicContact CD2-CB 4.17Å; L124-R171 HydrophobicContact CD2-CG 4.29Å; I145-R171 HydrophobicContact CG2-CB 3.94Å; I145-R171 HydrophobicContact CG2-CG 4.4Å; D146-R171 HydrophobicContact CB-CG 4.42Å; D146-R171 IonicContact OD2-CZ 3.58Å; D146-R171 VanDerWaalsContact OD2-CZ 3.26Å; D146-R171 IonicContact OD2-NE 3.34Å; D146-R171 PolarHBondContact OD2-NE 2.04Å; D146-R171 IonicContact OD2-NH2 2.73Å; D146-R171 PolarHBondContact OD2-NH2 3.05Å; I148-R171 HydrophobicContact CD1-CG 3.92Å; E169-R171 IonicContact OE1-NH1 3.71Å; E169-R171 IonicContact OE2-CZ 3.08Å; E169-R171 IonicContact OE2-NH1 3.39Å; E169-R171 PolarHBondContact OE2-NH1 2.83Å; E169-R171 IonicContact OE2-NH2 3.51Å; E169-R171 PolarHBondContact OE2-NH2 2.77Å |
| 172 | D | 93.9 | Very high | 87.6 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 155.5 | 177.4 | 70.6 | -105.1 | 0 | 0 | 0 | 112.7 | R96 V97 Y98 | R96-D172 WeakPolarHBondContact CD-OD2 3.2Å; R96-D172 IonicContact CZ-OD2 3.5Å; R96-D172 IonicContact NE-OD2 2.65Å; R96-D172 IonicContact NH1-OD2 3.47Å; R96-D172 PolarHBondContact NH1-OD2 3.45Å; V97-D172 CarbonylContact O-C 3.6Å; V97-D172 WeakPolarHBondContact O-CA 3.19Å; V97-D172 WeakPolarHBondContact O-CB 3.45Å; Y98-D172 HydrophobicContact CD1-CB 3.64Å; Y98-D172 HydrophobicContact CE1-CB 3.73Å; Y98-D172 HydrophobicContact CG-CB 4.37Å |
| 173 | V | 93.6 | Very high | 89.2 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 143.4 | 178.3 | -70.1 | 0 | 0 | 0 | 0 | 111.4 | R96 V97 I99 Y126 I145 L176 | R96-V173 WeakPolarHBondContact CA-O 3.24Å; V97-V173 HydrophobicContact CB-CG2 4.3Å; V97-V173 PolarHBondContact N-O 3.13Å; V97-V173 PolarHBondContact O-N 2.69Å; I99-V173 HydrophobicContact CD1-CG1 4.34Å; I99-V173 HydrophobicContact CD1-CG2 4.2Å; Y126-V173 HydrophobicContact CD1-CG1 3.88Å; Y126-V173 HydrophobicContact CD2-CB 4.41Å; Y126-V173 HydrophobicContact CD2-CG1 4.4Å; Y126-V173 HydrophobicContact CD2-CG2 4.48Å; Y126-V173 HydrophobicContact CE1-CB 4.5Å; Y126-V173 HydrophobicContact CE1-CG1 3.91Å; Y126-V173 HydrophobicContact CE2-CB 4.26Å; Y126-V173 HydrophobicContact CE2-CG1 4.45Å; Y126-V173 HydrophobicContact CG-CG1 4.12Å; I145-V173 HydrophobicContact CD1-CG1 3.56Å; I145-V173 HydrophobicContact CG1-CG1 3.61Å; I145-V173 HydrophobicContact CG2-CG1 4.15Å; V173-L176 HydrophobicContact CG2-CD1 4.48Å; V173-L176 HydrophobicContact CG2-CD2 4.26Å |
| 174 | G | 88.8 | Confident | 91 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | trans | 158.3 | 173.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q95 R96 | Q95-G174 WeakPolarHBondContact O-CA 3.35Å; R96-G174 VanDerWaalsContact NH2-C 3.27Å; R96-G174 PolarHBondContact NH2-O 3.22Å | ||
| 175 | P | 93.3 | Very high | 92.6 | Very high | 75 Ų | 75 | 39.6 Ų | 39.6 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | cis | -74.3 | 121.4 | -0.5 | 27.6 | -33.2 | 0 | 0 | 0 | 113.2 | Q95 A221 | Q95-P175 CarbonylContact O-C 3.44Å; Q95-P175 WeakPolarHBondContact O-CA 3.15Å; P175-A221 HydrophobicContact CB-CB 3.93Å; P175-A221 HydrophobicContact CG-CB 4.46Å | ||
| 176 | L | 93.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -74.5 | 143.3 | 172.9 | -57 | -176.9 | 0 | 0 | 0 | 110.6 | R91 Q95 V97 Y126 E128 V173 F181 | R91-L176 HydrophobicContact CB-CD1 4.25Å; Q95-L176 PolarHBondContact O-N 2.94Å; V97-L176 HydrophobicContact CB-CD1 4.13Å; V97-L176 HydrophobicContact CG2-CD1 3.59Å; Y126-L176 HydrophobicContact CD2-CD2 4.16Å; Y126-L176 HydrophobicContact CE2-CD2 3.71Å; E128-L176 HydrophobicContact CG-CD2 3.92Å; V173-L176 HydrophobicContact CG2-CD1 4.48Å; V173-L176 HydrophobicContact CG2-CD2 4.26Å; L176-F181 HydrophobicContact CD1-CD1 3.72Å; L176-F181 HydrophobicContact CD1-CE1 3.8Å; L176-F181 HydrophobicContact CD1-CG 4.4Å | ||
| 177 | S | 93.8 | Very high | 94.1 | Very high | 79 Ų | 79 | 34.7 Ų | 34.7 | 55% | 0.552 | 19% | 0.185 | S | C | * | . | trans | -124.8 | -45.5 | -167.6 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | R91 E128 | R91-S177 PolarHBondContact NE-O 2.84Å; R91-S177 PolarHBondContact NH2-O 3.07Å; E128-S177 PolarHBondContact OE1-OG 2.79Å; E128-S177 PolarHBondContact OE2-N 2.72Å; E128-S177 PolarHBondContact OE2-OG 2.96Å | ||
| 178 | K | 95.3 | Very high | 94.5 | Very high | 78 Ų | 78 | 36.3 Ų | 36.3 | 34% | 0.339 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -74.2 | 171.9 | -178 | -66.3 | -174.3 | 161.9 | -62.8 | 0 | 112 | R91 E128 D130 G180 | R91-K178 WeakPolarHBondContact CD-O 3.48Å; R91-K178 PolarHBondContact NE-O 3.26Å; E128-K178 HydrophobicContact CB-CB 4.1Å; E128-K178 HydrophobicContact CB-CD 3.73Å; E128-K178 HydrophobicContact CB-CG 4.12Å; E128-K178 VanDerWaalsContact O-CD 3.29Å; E128-K178 WeakPolarHBondContact O-CD 3.27Å; E128-K178 PolarHBondContact OE2-N 2.86Å; D130-K178 WeakPolarHBondContact OD1-CA 3.47Å; D130-K178 WeakPolarHBondContact OD1-CB 3.16Å; D130-K178 WeakPolarHBondContact OD2-CD 3.33Å; D130-K178 WeakPolarHBondContact OD2-CG 3.39Å; D130-K178 IonicContact OD2-NZ 2.64Å; D130-K178 PolarHBondContact OD2-NZ 3Å; K178-G180 PolarHBondContact O-N 2.72Å |
| 179 | K | 94.6 | Very high | 94.6 | Very high | 143 Ų | 143 | 33.5 Ų | 33.5 | 62% | 0.622 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -59.5 | -28.7 | -178.6 | -68.9 | 177.5 | -179.4 | 179.5 | 0 | 114.2 | W88 R91 D130 | W88-K179 HydrophobicContact CH2-CB 4.24Å; W88-K179 HydrophobicContact CZ2-CB 3.77Å; R91-K179 PolarHBondContact N-O 2.72Å; R91-K179 VanDerWaalsContact N-O 3.14Å; D130-K179 PolarHBondContact OD1-N 2.92Å |
| 180 | G | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171 | -170.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | I89 S129 K178 | I89-G180 CarbonylContact O-C 3.55Å; I89-G180 WeakPolarHBondContact O-CA 3.43Å; S129-G180 PolarHBondContact N-O 2.66Å; S129-G180 CarbonylContact O-C 3.47Å; S129-G180 PolarHBondContact O-N 2.87Å; K178-G180 PolarHBondContact O-N 2.72Å |
| 181 | F | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 159.9 | -173 | 60.4 | -78.1 | 0 | 0 | 0 | 111.6 | L33 I89 R91 V97 Y127 L176 L183 V199 | L33-F181 HydrophobicContact CD1-CE1 4.49Å; I89-F181 HydrophobicContact CB-CD1 4.46Å; I89-F181 HydrophobicContact CB-CE1 4.06Å; I89-F181 HydrophobicContact CB-CE2 4.12Å; I89-F181 HydrophobicContact CB-CZ 3.86Å; I89-F181 HydrophobicContact CD1-CE2 3.9Å; I89-F181 HydrophobicContact CD1-CZ 4.23Å; I89-F181 HydrophobicContact CG2-CE1 3.94Å; I89-F181 HydrophobicContact CG2-CE2 4.35Å; I89-F181 HydrophobicContact CG2-CZ 3.68Å; I89-F181 PolarHBondContact N-O 2.96Å; I89-F181 PolarHBondContact O-N 2.79Å; R91-F181 HydrophobicContact CB-CD1 4.39Å; R91-F181 HydrophobicContact CB-CE1 4.24Å; V97-F181 HydrophobicContact CG1-CZ 3.92Å; V97-F181 HydrophobicContact CG2-CE1 4.45Å; Y127-F181 CarbonylContact O-C 3.43Å; Y127-F181 WeakPolarHBondContact O-CA 3.34Å; Y127-F181 WeakPolarHBondContact O-CB 3.26Å; L176-F181 HydrophobicContact CD1-CD1 3.72Å; L176-F181 HydrophobicContact CD1-CE1 3.8Å; L176-F181 HydrophobicContact CD1-CG 4.4Å; F181-L183 HydrophobicContact CD2-CD2 3.91Å; F181-L183 HydrophobicContact CD2-CG 4.21Å; F181-L183 HydrophobicContact CE2-CD2 3.85Å; F181-L183 HydrophobicContact CE2-CG 3.96Å; F181-V199 HydrophobicContact CE2-CG1 4.17Å; F181-V199 HydrophobicContact CZ-CG1 3.83Å |
| 182 | Y | 95.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 143.9 | 167 | -64.5 | -80.7 | 0 | 0 | 0 | 109.2 | R85 T86 W88 Y126 Y127 N131 D132 E134 | R85-Y182 HydrophobicContact CG-CD1 4.49Å; T86-Y182 WeakPolarHBondContact O-CD1 3.21Å; W88-Y182 VanDerWaalsContact CA-CE1 3.5Å; W88-Y182 HydrophobicContact CB-CD1 4.25Å; W88-Y182 HydrophobicContact CB-CE1 3.56Å; W88-Y182 AromaticContact CD1-CE2 3.84Å; W88-Y182 AromaticContact CD1-CZ 3.84Å; W88-Y182 HydrophobicContact CG-CE1 4.41Å; W88-Y182 VanDerWaalsContact N-CE1 3.32Å; Y126-Y182 CarbonylContact C-O 3.55Å; Y126-Y182 VanDerWaalsContact CA-O 3.24Å; Y126-Y182 WeakPolarHBondContact CA-O 3.45Å; Y127-Y182 HydrophobicContact CD1-CD2 4.24Å; Y127-Y182 PolarHBondContact N-O 3.43Å; Y127-Y182 PolarHBondContact O-N 2.82Å; N131-Y182 PolarHBondContact O-OH 2.79Å; D132-Y182 PolarHBondContact O-OH 2.89Å; E134-Y182 HydrophobicContact CB-CE2 3.93Å; E134-Y182 WeakPolarHBondContact CB-OH 3.19Å; E134-Y182 HydrophobicContact CG-CE2 4.03Å; E134-Y182 PolarHBondContact N-OH 2.95Å |
| 183 | L | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 151.1 | 163 | -63.3 | -177.7 | 0 | 0 | 0 | 110 | R85 T86 I89 I99 Y125 I145 F181 V199 | R85-L183 WeakPolarHBondContact CA-O 3.47Å; R85-L183 VanDerWaalsContact CG-O 3.26Å; R85-L183 WeakPolarHBondContact CG-O 3.4Å; T86-L183 HydrophobicContact CG2-CB 3.85Å; T86-L183 PolarHBondContact N-O 2.86Å; T86-L183 PolarHBondContact OG1-N 2.86Å; T86-L183 PolarHBondContact OG1-O 2.86Å; I89-L183 HydrophobicContact CD1-CD1 4.23Å; I89-L183 HydrophobicContact CD1-CG 4.16Å; I99-L183 HydrophobicContact CD1-CD1 3.98Å; I99-L183 HydrophobicContact CD1-CD2 3.6Å; I99-L183 HydrophobicContact CD1-CG 4.47Å; I99-L183 HydrophobicContact CG1-CD1 4.01Å; I99-L183 HydrophobicContact CG1-CD2 4.43Å; I99-L183 HydrophobicContact CG2-CD1 3.77Å; Y125-L183 WeakPolarHBondContact O-CA 3.34Å; I145-L183 HydrophobicContact CD1-CD2 4.2Å; F181-L183 HydrophobicContact CD2-CD2 3.91Å; F181-L183 HydrophobicContact CD2-CG 4.21Å; F181-L183 HydrophobicContact CE2-CD2 3.85Å; F181-L183 HydrophobicContact CE2-CG 3.96Å; L183-V199 HydrophobicContact CD1-CG2 3.56Å |
| 184 | A | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 149.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | W83 L84 R85 Y125 F142 | W83-A184 HydrophobicContact CE3-CB 3.9Å; W83-A184 HydrophobicContact CZ3-CB 4.05Å; L84-A184 CarbonylContact O-C 3.46Å; L84-A184 WeakPolarHBondContact O-CA 3.46Å; R85-A184 HydrophobicContact CB-CB 4.23Å; R85-A184 HydrophobicContact CG-CB 4.2Å; Y125-A184 PolarHBondContact N-O 3.17Å; Y125-A184 PolarHBondContact O-N 2.72Å; F142-A184 HydrophobicContact CD1-CB 3.95Å; F142-A184 HydrophobicContact CE1-CB 3.7Å; F142-A184 HydrophobicContact CZ-CB 4.21Å |
| 185 | F | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.6 | 178.3 | -51.1 | -88.3 | 0 | 0 | 0 | 107.4 | W45 W54 W83 L84 T86 I101 F122 N123 L124 L194 V197 | W45-F185 HydrophobicContact CH2-CE2 4.5Å; W45-F185 AromaticContact CZ3-CE2 3.91Å; W45-F185 HydrophobicContact CZ3-CE2 3.91Å; W54-F185 HydrophobicContact CZ2-CB 4.16Å; W83-F185 CarbonylContact C-O 3.51Å; W83-F185 WeakPolarHBondContact CA-O 3.45Å; L84-F185 HydrophobicContact CB-CB 4.44Å; L84-F185 HydrophobicContact CD2-CD2 4.25Å; L84-F185 HydrophobicContact CG-CD2 4.38Å; L84-F185 PolarHBondContact N-O 2.91Å; L84-F185 PolarHBondContact O-N 3.2Å; T86-F185 HydrophobicContact CG2-CE2 4.13Å; I101-F185 HydrophobicContact CD1-CE1 3.87Å; I101-F185 HydrophobicContact CG1-CE1 4.27Å; F122-F185 HydrophobicContact CD2-CD1 4.44Å; F122-F185 HydrophobicContact CE2-CD1 4Å; N123-F185 WeakPolarHBondContact O-CA 3.48Å; L124-F185 HydrophobicContact CD1-CD1 3.8Å; L124-F185 HydrophobicContact CD1-CE1 3.48Å; L124-F185 VanDerWaalsContact CD1-CE1 3.48Å; L124-F185 HydrophobicContact CD1-CZ 4.17Å; F185-L194 HydrophobicContact CB-CD1 4.17Å; F185-L194 HydrophobicContact CD1-CD1 3.99Å; F185-L194 HydrophobicContact CD1-CD2 4.45Å; F185-L194 HydrophobicContact CD2-CD1 4.11Å; F185-L194 HydrophobicContact CE1-CD1 4.48Å; F185-L194 HydrophobicContact CG-CD1 3.81Å; F185-V197 HydrophobicContact CE1-CG2 4.15Å; F185-V197 HydrophobicContact CE2-CG2 4.17Å; F185-V197 HydrophobicContact CZ-CB 4.43Å; F185-V197 HydrophobicContact CZ-CG1 4.08Å; F185-V197 HydrophobicContact CZ-CG2 3.52Å |
| 186 | Q | 96.8 | Very high | 94.4 | Very high | 19 Ų | 19 | 20.3 Ų | 20.3 | 9% | 0.089 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 117.4 | 177.9 | 178.8 | -158.9 | 38.8 | 0 | 0 | 108.9 | N81 N82 W83 N123 Y125 V188 | N81-Q186 PolarHBondContact OD1-NE2 2.87Å; N82-Q186 CarbonylContact O-C 3.5Å; N82-Q186 WeakPolarHBondContact O-CA 3.32Å; W83-Q186 HydrophobicContact CD2-CB 4.08Å; W83-Q186 HydrophobicContact CD2-CG 4.22Å; W83-Q186 HydrophobicContact CE3-CB 4.22Å; W83-Q186 HydrophobicContact CZ2-CB 4.37Å; W83-Q186 HydrophobicContact CZ2-CG 4.17Å; W83-Q186 HydrophobicContact CZ3-CB 4.43Å; N123-Q186 HydrophobicContact CB-CB 4.21Å; N123-Q186 PolarHBondContact N-O 2.69Å; N123-Q186 PolarHBondContact ND2-OE1 2.86Å; N123-Q186 PolarHBondContact O-N 2.8Å; Y125-Q186 HydrophobicContact CD2-CB 4.22Å; Y125-Q186 HydrophobicContact CE2-CB 3.74Å; Y125-Q186 HydrophobicContact CE2-CG 4.49Å; Y125-Q186 VanDerWaalsContact CE2-OE1 3.31Å; Y125-Q186 PolarHBondContact OH-OE1 2.85Å; Q186-V188 HydrophobicContact CG-CG1 4.23Å |
| 187 | D | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 145.4 | 167.4 | 158.7 | 59.4 | 0 | 0 | 0 | 110.6 | W54 V72 N82 G189 A190 | W54-D187 HydrophobicContact CZ2-CB 3.87Å; V72-D187 HydrophobicContact CG1-CB 3.67Å; V72-D187 WeakPolarHBondContact CG2-OD2 3.36Å; N82-D187 HydrophobicContact CB-CB 4.07Å; N82-D187 PolarHBondContact N-O 3.06Å; N82-D187 PolarHBondContact ND2-OD2 2.75Å; N82-D187 PolarHBondContact O-N 2.9Å; D187-G189 PolarHBondContact OD1-N 3.4Å; D187-A190 PolarHBondContact OD1-N 3.01Å |
| 188 | V | 94.4 | Very high | 94.4 | Very high | 44 Ų | 44 | 17 Ų | 17 | 27% | 0.267 | 8% | 0.083 | S | C | . | . | S | Bend | trans | -133.9 | 20.3 | -176.2 | -65.9 | 0 | 0 | 0 | 0 | 112.5 | K119 Q186 | K119-V188 HydrophobicContact CG-CG2 4.34Å; Q186-V188 HydrophobicContact CG-CG1 4.23Å |
| 189 | G | 92.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | S | Bend | trans | 125.3 | 25.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | C118 K119 D187 | C118-G189 CarbonylContact C-O 3.43Å; C118-G189 VanDerWaalsContact CA-O 3.31Å; C118-G189 WeakPolarHBondContact CA-O 3.36Å; K119-G189 PolarHBondContact N-O 2.64Å; D187-G189 PolarHBondContact OD1-N 3.4Å |
| 190 | A | 93.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.039 | C | C | . | . | B | Isolated β-bridge | trans | -92.1 | 170 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | C73 K119 D187 I192 | C73-A190 WeakPolarHBondContact CA-O 3.45Å; K119-A190 HydrophobicContact CB-CB 4.47Å; K119-A190 WeakPolarHBondContact O-CA 3.01Å; K119-A190 VanDerWaalsContact O-CB 3.28Å; K119-A190 WeakPolarHBondContact O-CB 3.48Å; D187-A190 PolarHBondContact OD1-N 3.01Å; A190-I192 HydrophobicContact CB-CG2 4.29Å |
| 191 | C | 93.4 | Very high | 94.5 | Very high | 17 Ų | 17 | 8 Ų | 8 | 12% | 0.115 | 4% | 0.044 | C | C | . | . | trans | -119.8 | 96.7 | 169 | -167.4 | 0 | 0 | 0 | 0 | 109.3 | V72 C73 V75 R106 L111 | V72-C191 WeakPolarHBondContact O-CA 3.37Å; C73-C191 HydrophobicContact CB-CB 3.93Å; C73-C191 WeakPolarHBondContact CB-SG 3.34Å; C73-C191 WeakPolarHBondContact SG-CB 3.46Å; C73-C191 CovalentContact SG-SG 2.05Å; C73-C191 PolarHBondContact SG-SG 2.86Å; V75-C191 HydrophobicContact CG1-CB 3.79Å; R106-C191 HydrophobicContact CB-CB 4.09Å; R106-C191 PolarHBondContact N-O 2.92Å; L111-C191 HydrophobicContact CD1-CB 4.24Å | ||
| 192 | I | 94.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 9.8 Ų | 9.8 | 3% | 0.031 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.3 | -164.8 | 176.4 | 165.3 | 0 | 0 | 0 | 111.7 | W54 Q71 V72 F103 T104 F122 A190 L194 | W54-I192 HydrophobicContact CH2-CD1 4.4Å; W54-I192 HydrophobicContact CH2-CG1 4.43Å; W54-I192 HydrophobicContact CH2-CG2 3.69Å; W54-I192 HydrophobicContact CZ2-CG2 4.47Å; W54-I192 HydrophobicContact CZ3-CG2 4.08Å; Q71-I192 VanDerWaalsContact CA-O 3.26Å; Q71-I192 WeakPolarHBondContact CA-O 3.47Å; V72-I192 HydrophobicContact CG1-CG2 3.65Å; V72-I192 PolarHBondContact N-O 3.46Å; V72-I192 PolarHBondContact O-N 2.92Å; F103-I192 HydrophobicContact CB-CD1 4.27Å; F103-I192 HydrophobicContact CB-CG1 4.38Å; F103-I192 HydrophobicContact CD2-CD1 3.73Å; F103-I192 HydrophobicContact CD2-CG1 4.16Å; F103-I192 HydrophobicContact CE2-CD1 4.42Å; F103-I192 HydrophobicContact CG-CD1 4.19Å; T104-I192 WeakPolarHBondContact O-CA 3.22Å; F122-I192 HydrophobicContact CB-CD1 4.45Å; F122-I192 HydrophobicContact CD1-CD1 3.18Å; F122-I192 HydrophobicContact CD2-CD1 4.43Å; F122-I192 HydrophobicContact CE1-CD1 3.29Å; F122-I192 HydrophobicContact CG-CD1 3.8Å; F122-I192 HydrophobicContact CZ-CD1 3.99Å; A190-I192 HydrophobicContact CB-CG2 4.29Å; I192-L194 HydrophobicContact CD1-CD2 4.18Å |
| 193 | A | 92 | Very high | 94.4 | Very high | 8 Ų | 8 | 11.7 Ų | 11.7 | 7% | 0.066 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 119.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111 | Y70 Q71 F103 T104 V195 | Y70-A193 CarbonylContact O-C 3.59Å; Y70-A193 WeakPolarHBondContact O-CA 3.33Å; Q71-A193 HydrophobicContact CB-CB 3.97Å; F103-A193 CarbonylContact C-O 3.55Å; F103-A193 WeakPolarHBondContact CA-O 3.48Å; F103-A193 VanDerWaalsContact CB-O 3.29Å; F103-A193 WeakPolarHBondContact CB-O 3.07Å; T104-A193 PolarHBondContact N-O 3.37Å; T104-A193 PolarHBondContact O-N 3.02Å; A193-V195 PolarHBondContact O-N 3.33Å |
| 194 | L | 92.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 11.7 Ų | 11.7 | 3% | 0.026 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 100.1 | 171.2 | -66.6 | 174.3 | 0 | 0 | 0 | 109.3 | W54 T69 Y70 L84 I101 F103 F122 F185 I192 | W54-L194 HydrophobicContact CE3-CD1 4.32Å; W54-L194 HydrophobicContact CH2-CD1 3.6Å; W54-L194 HydrophobicContact CH2-CG 3.78Å; W54-L194 HydrophobicContact CZ2-CD1 4.32Å; W54-L194 HydrophobicContact CZ3-CD1 3.61Å; W54-L194 HydrophobicContact CZ3-CG 3.69Å; T69-L194 WeakPolarHBondContact CA-O 3.26Å; T69-L194 VanDerWaalsContact CB-O 3.28Å; T69-L194 WeakPolarHBondContact CB-O 3.35Å; Y70-L194 PolarHBondContact N-O 3.29Å; Y70-L194 PolarHBondContact O-N 2.81Å; L84-L194 HydrophobicContact CD2-CD1 3.9Å; I101-L194 HydrophobicContact CG2-CD2 3.74Å; F103-L194 HydrophobicContact CB-CD2 4.1Å; F122-L194 HydrophobicContact CE2-CD2 4.21Å; F122-L194 HydrophobicContact CZ-CD2 4.14Å; F185-L194 HydrophobicContact CB-CD1 4.17Å; F185-L194 HydrophobicContact CD1-CD1 3.99Å; F185-L194 HydrophobicContact CD1-CD2 4.45Å; F185-L194 HydrophobicContact CD2-CD1 4.11Å; F185-L194 HydrophobicContact CE1-CD1 4.48Å; F185-L194 HydrophobicContact CG-CD1 3.81Å; I192-L194 HydrophobicContact CD1-CD2 4.18Å |
| 195 | V | 89.5 | Confident | 94.3 | Very high | 16 Ų | 16 | 13.6 Ų | 13.6 | 10% | 0.097 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -32 | -177.4 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | I67 K102 T104 L166 A193 | I67-V195 HydrophobicContact CD1-CG1 3.84Å; K102-V195 WeakPolarHBondContact O-CA 3.31Å; K102-V195 PolarHBondContact O-N 3.36Å; T104-V195 HydrophobicContact CG2-CG2 4.15Å; L166-V195 HydrophobicContact CD1-CB 3.78Å; L166-V195 HydrophobicContact CD1-CG1 4Å; L166-V195 HydrophobicContact CD1-CG2 3.76Å; A193-V195 PolarHBondContact O-N 3.33Å |
| 196 | S | 90.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 153 | 166.4 | 72.1 | 0 | 0 | 0 | 0 | 114.8 | S36 R37 I101 K102 | S36-S196 VanDerWaalsContact OG-CA 3.27Å; S36-S196 WeakPolarHBondContact OG-CA 3.34Å; R37-S196 PolarHBondContact NE-OG 3.35Å; R37-S196 PolarHBondContact NH2-OG 3.29Å; I101-S196 CarbonylContact C-O 3.52Å; I101-S196 WeakPolarHBondContact CA-O 3.32Å; K102-S196 PolarHBondContact N-O 3.41Å; K102-S196 PolarHBondContact O-N 3.45Å |
| 197 | V | 94 | Very high | 94.1 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 123.8 | 163.5 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | S36 W45 I99 E100 F185 V199 | S36-V197 PolarHBondContact N-O 2.81Å; S36-V197 PolarHBondContact OG-N 2.94Å; W45-V197 HydrophobicContact CH2-CB 3.89Å; W45-V197 HydrophobicContact CH2-CG2 3.69Å; W45-V197 HydrophobicContact CZ3-CG2 4.09Å; I99-V197 HydrophobicContact CG2-CG1 4.3Å; E100-V197 CarbonylContact O-C 3.55Å; E100-V197 WeakPolarHBondContact O-CA 3.48Å; F185-V197 HydrophobicContact CE1-CG2 4.15Å; F185-V197 HydrophobicContact CE2-CG2 4.17Å; F185-V197 HydrophobicContact CZ-CB 4.43Å; F185-V197 HydrophobicContact CZ-CG1 4.08Å; F185-V197 HydrophobicContact CZ-CG2 3.52Å; V197-V199 HydrophobicContact CG1-CG2 3.98Å |
| 198 | R | 94.4 | Very high | 94.1 | Very high | 15 Ų | 15 | 21.9 Ų | 21.9 | 6% | 0.057 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.8 | 167.8 | -174.3 | 177.2 | 71.5 | 114 | -1.3 | 109.2 | Y26 E30 T32 L34 D35 E100 F200 | Y26-R198 VanDerWaalsContact CD1-NH1 3.28Å; Y26-R198 VanDerWaalsContact CE1-CD 3.43Å; E30-R198 IonicContact OE1-NH2 2.81Å; E30-R198 IonicContact OE2-CZ 2.59Å; E30-R198 VanDerWaalsContact OE2-CZ 3.24Å; E30-R198 IonicContact OE2-NH1 2.62Å; E30-R198 PolarHBondContact OE2-NH1 2.91Å; E30-R198 IonicContact OE2-NH2 2.74Å; E30-R198 PolarHBondContact OE2-NH2 2.61Å; T32-R198 HydrophobicContact CG2-CG 4.08Å; L34-R198 CarbonylContact O-C 3.59Å; L34-R198 VanDerWaalsContact O-CA 3.26Å; L34-R198 WeakPolarHBondContact O-CA 3.49Å; L34-R198 WeakPolarHBondContact O-CG 3.4Å; D35-R198 HydrophobicContact CB-CG 4.26Å; E100-R198 HydrophobicContact CB-CB 4.33Å; E100-R198 PolarHBondContact N-O 3.26Å; E100-R198 PolarHBondContact O-N 3.26Å; E100-R198 IonicContact OE1-CZ 3.54Å; E100-R198 VanDerWaalsContact OE1-CZ 3.28Å; E100-R198 IonicContact OE1-NE 3.7Å; E100-R198 PolarHBondContact OE1-NE 3.41Å; E100-R198 IonicContact OE1-NH2 2.69Å; E100-R198 PolarHBondContact OE1-NH2 2.85Å; R198-F200 HydrophobicContact CG-CD1 4.38Å |
| 199 | V | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.3 | 178.1 | -170.5 | 0 | 0 | 0 | 0 | 107.4 | L33 L34 I89 V97 Y98 I99 F181 L183 V197 | L33-V199 PolarHBondContact N-O 3.26Å; L34-V199 HydrophobicContact CB-CB 4.05Å; L34-V199 HydrophobicContact CB-CG2 4.13Å; L34-V199 HydrophobicContact CD2-CG2 4.22Å; L34-V199 PolarHBondContact N-O 2.81Å; L34-V199 VanDerWaalsContact N-O 3.08Å; L34-V199 PolarHBondContact O-N 3.45Å; I89-V199 HydrophobicContact CD1-CB 4.37Å; I89-V199 HydrophobicContact CD1-CG1 4.37Å; I89-V199 HydrophobicContact CD1-CG2 3.94Å; V97-V199 HydrophobicContact CG1-CG1 3.43Å; V97-V199 VanDerWaalsContact CG1-CG1 3.43Å; Y98-V199 CarbonylContact O-C 3.59Å; Y98-V199 WeakPolarHBondContact O-CA 3.15Å; I99-V199 HydrophobicContact CG1-CG1 4.38Å; F181-V199 HydrophobicContact CE2-CG1 4.17Å; F181-V199 HydrophobicContact CZ-CG1 3.83Å; L183-V199 HydrophobicContact CD1-CG2 3.56Å; V197-V199 HydrophobicContact CG1-CG2 3.98Å |
| 200 | F | 95.6 | Very high | 94 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 155.4 | -173.6 | 66.2 | -81.6 | 0 | 0 | 0 | 111.3 | E30 V31 Y98 E100 R198 K202 | E30-F200 HydrophobicContact CB-CD2 3.93Å; E30-F200 HydrophobicContact CB-CE2 4.39Å; E30-F200 HydrophobicContact CG-CD2 3.75Å; E30-F200 HydrophobicContact CG-CE2 3.71Å; E30-F200 WeakPolarHBondContact OE1-CE2 3.44Å; V31-F200 CarbonylContact O-C 3.56Å; V31-F200 WeakPolarHBondContact O-CA 3.41Å; V31-F200 WeakPolarHBondContact O-CB 3.37Å; Y98-F200 HydrophobicContact CD2-CD2 4.5Å; Y98-F200 HydrophobicContact CD2-CE2 4.21Å; Y98-F200 HydrophobicContact CG-CE2 4.16Å; Y98-F200 HydrophobicContact CG-CZ 4.21Å; Y98-F200 PolarHBondContact N-O 2.89Å; Y98-F200 PolarHBondContact O-N 2.78Å; E100-F200 HydrophobicContact CB-CE1 4.15Å; R198-F200 HydrophobicContact CG-CD1 4.38Å; F200-K202 HydrophobicContact CE2-CG 4.37Å |
| 201 | Y | 95.3 | Very high | 94.1 | Very high | 27 Ų | 27 | 29.7 Ų | 29.7 | 11% | 0.106 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 169.6 | 168.3 | 72.8 | -90.3 | 0 | 0 | 0 | 110.8 | V31 L33 E92 A94 I218 | V31-Y201 HydrophobicContact CB-CD1 3.97Å; V31-Y201 HydrophobicContact CB-CD2 4.46Å; V31-Y201 HydrophobicContact CB-CE1 3.55Å; V31-Y201 HydrophobicContact CB-CE2 4.06Å; V31-Y201 HydrophobicContact CB-CG 4.42Å; V31-Y201 HydrophobicContact CG1-CD1 4.27Å; V31-Y201 HydrophobicContact CG1-CE1 3.5Å; V31-Y201 VanDerWaalsContact CG1-CE1 3.5Å; V31-Y201 HydrophobicContact CG2-CE1 4.38Å; V31-Y201 HydrophobicContact CG2-CE2 4.12Å; V31-Y201 PolarHBondContact N-O 3.4Å; V31-Y201 PolarHBondContact O-N 3.22Å; L33-Y201 HydrophobicContact CD1-CD1 4.13Å; L33-Y201 HydrophobicContact CD2-CD1 3.75Å; L33-Y201 HydrophobicContact CD2-CE1 3.84Å; L33-Y201 HydrophobicContact CG-CD1 3.96Å; E92-Y201 HydrophobicContact CB-CE1 4.4Å; A94-Y201 VanDerWaalsContact CB-CB 3.48Å; A94-Y201 HydrophobicContact CB-CD1 3.88Å; A94-Y201 HydrophobicContact CB-CD2 4.03Å; A94-Y201 HydrophobicContact CB-CG 3.55Å; Y201-I218 HydrophobicContact CD2-CG2 4Å; Y201-I218 HydrophobicContact CE2-CD1 4.04Å; Y201-I218 HydrophobicContact CE2-CG1 3.99Å; Y201-I218 HydrophobicContact CE2-CG2 4.11Å |
| 202 | K | 94.8 | Very high | 94.2 | Very high | 38 Ų | 38 | 28.9 Ų | 28.9 | 17% | 0.165 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 148.6 | -178.9 | -67.2 | -174.9 | 171.5 | -160.3 | 0 | 112.2 | N29 Y98 F200 T219 D250 | N29-K202 CarbonylContact O-C 3.6Å; N29-K202 VanDerWaalsContact O-CA 3.27Å; N29-K202 WeakPolarHBondContact O-CA 3.41Å; Y98-K202 HydrophobicContact CD2-CD 4.08Å; Y98-K202 HydrophobicContact CD2-CG 3.85Å; Y98-K202 HydrophobicContact CE2-CB 4.18Å; Y98-K202 HydrophobicContact CE2-CD 3.54Å; Y98-K202 HydrophobicContact CE2-CG 3.59Å; F200-K202 HydrophobicContact CE2-CG 4.37Å; K202-T219 HydrophobicContact CB-CG2 3.77Å; K202-T219 PolarHBondContact O-N 2.99Å; K202-T219 VanDerWaalsContact O-N 3.13Å; K202-T219 PolarHBondContact O-OG1 3.36Å; K202-D250 WeakPolarHBondContact CD-O 3.45Å; K202-D250 PolarHBondContact NZ-O 3.07Å |
| 203 | K | 95.2 | Very high | 94.3 | Very high | 41 Ų | 41 | 32.9 Ų | 32.9 | 18% | 0.178 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 149.1 | 172.3 | 65.2 | 172.9 | -174.6 | 173.3 | 0 | 110 | A28 N29 V31 D216 T217 | A28-K203 VanDerWaalsContact O-CE 3.26Å; A28-K203 WeakPolarHBondContact O-CE 3.33Å; N29-K203 WeakPolarHBondContact CA-O 3.35Å; N29-K203 WeakPolarHBondContact CB-O 3.27Å; N29-K203 PolarHBondContact O-N 3.05Å; V31-K203 HydrophobicContact CG2-CD 3.83Å; V31-K203 HydrophobicContact CG2-CG 4.17Å; K203-D216 HydrophobicContact CD-CB 4.46Å; K203-D216 IonicContact NZ-OD1 3.51Å; K203-D216 IonicContact NZ-OD2 3.6Å; K203-D216 PolarHBondContact NZ-OD2 2.96Å; K203-T217 CarbonylContact C-O 3.59Å; K203-T217 WeakPolarHBondContact CA-O 3.33Å; K203-T217 WeakPolarHBondContact CB-O 3.18Å |
| 204 | C | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 120.7 | 162.6 | -54.4 | 0 | 0 | 0 | 0 | 108.5 | D216 T217 C247 G251 E252 W253 | C204-D216 WeakPolarHBondContact O-CA 2.97Å; C204-T217 PolarHBondContact N-O 2.7Å; C204-T217 PolarHBondContact O-N 2.97Å; C204-C247 HydrophobicContact CB-CB 3.75Å; C204-C247 WeakPolarHBondContact CB-SG 3.34Å; C204-C247 WeakPolarHBondContact SG-CA 3.44Å; C204-C247 WeakPolarHBondContact SG-CB 3.49Å; C204-C247 CovalentContact SG-SG 2.03Å; C204-C247 PolarHBondContact SG-SG 3.27Å; C204-G251 WeakPolarHBondContact CA-O 3.49Å; C204-E252 PolarHBondContact SG-O 3.42Å; C204-E252 VanDerWaalsContact SG-O 3.35Å; C204-W253 HydrophobicContact CB-CD2 3.69Å; C204-W253 VanDerWaalsContact CB-CE2 3.41Å; C204-W253 HydrophobicContact CB-CE3 4.23Å; C204-W253 HydrophobicContact CB-CG 4.06Å; C204-W253 HydrophobicContact CB-CH2 4.3Å; C204-W253 HydrophobicContact CB-CZ2 3.76Å |
| 205 | P | 95.9 | Very high | 94.7 | Very high | 40 Ų | 40 | 35.5 Ų | 35.5 | 26% | 0.26 | 18% | 0.179 | S | C | . | . | trans | -76 | 153.6 | -170.5 | 29.7 | -35.5 | 0 | 0 | 0 | 112.6 | T207 D216 W253 | P205-T207 PolarHBondContact O-N 3.4Å; P205-D216 WeakPolarHBondContact CA-OD1 3.27Å; P205-W253 PolarHBondContact O-NE1 3.32Å | ||
| 206 | L | 95.5 | Very high | 95 | Very high | 103 Ų | 103 | 38.7 Ų | 38.7 | 54% | 0.539 | 20% | 0.196 | S | C | . | . | trans | -42.6 | 121 | 174.1 | -174.9 | 77.9 | 0 | 0 | 0 | 111.6 | Q213 F214 D216 | L206-Q213 HydrophobicContact CD1-CG 4.24Å; L206-F214 WeakPolarHBondContact CA-O 3.31Å; L206-D216 PolarHBondContact N-OD1 2.94Å | ||
| 207 | T | 94.9 | Very high | 95.2 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 20% | 0.202 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 162.4 | -178.1 | -158.1 | 0 | 0 | 0 | 0 | 112.2 | P205 R209 Q213 F214 M245 W253 | P205-T207 PolarHBondContact O-N 3.4Å; T207-R209 HydrophobicContact CG2-CG 4.19Å; T207-Q213 WeakPolarHBondContact O-CA 3.22Å; T207-F214 HydrophobicContact CG2-CB 4.2Å; T207-F214 PolarHBondContact N-O 3.37Å; T207-F214 VanDerWaalsContact N-O 3.08Å; T207-F214 PolarHBondContact O-N 3.4Å; T207-M245 HydrophobicContact CG2-CE 4.35Å; T207-W253 HydrophobicContact CG2-CD2 4.45Å; T207-W253 HydrophobicContact CG2-CG 4.23Å |
| 208 | V | 95.1 | Very high | 95.3 | Very high | 57 Ų | 57 | 42.1 Ų | 42.1 | 35% | 0.345 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126 | 171.8 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | A212 Q213 V234 G271 | V208-A212 CarbonylContact C-O 3.56Å; V208-A212 VanDerWaalsContact CA-O 3.31Å; V208-A212 WeakPolarHBondContact CA-O 3.23Å; V208-Q213 HydrophobicContact CG2-CB 4.2Å; V208-Q213 HydrophobicContact CG2-CG 4.21Å; V208-V234 HydrophobicContact CG1-CG1 3.83Å; V208-G271 WeakPolarHBondContact CG1-O 3.27Å |
| 209 | R | 93 | Very high | 95.2 | Very high | 135 Ų | 135 | 41.6 Ų | 41.6 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 137 | 178.8 | -64.4 | -63.5 | -175.4 | 157.3 | 4.5 | 109.4 | T207 L211 A212 F214 M245 P256 | T207-R209 HydrophobicContact CG2-CG 4.19Å; R209-L211 PolarHBondContact O-N 3.45Å; R209-A212 PolarHBondContact N-O 2.72Å; R209-A212 PolarHBondContact O-N 3.32Å; R209-A212 VanDerWaalsContact O-O 3.11Å; R209-F214 HydrophobicContact CB-CE2 4.18Å; R209-M245 HydrophobicContact CB-SD 3.74Å; R209-M245 HydrophobicContact CG-CE 3.94Å; R209-M245 HydrophobicContact CG-SD 3.68Å; R209-P256 HydrophobicContact CB-CB 4.4Å; R209-P256 HydrophobicContact CB-CG 4.5Å |
| 210 | N | 93.7 | Very high | 94.8 | Very high | 68 Ų | 68 | 41.9 Ų | 41.9 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 41.1 | 178.4 | -55.2 | -1.9 | 0 | 0 | 0 | 113 | A212 G258 N259 C260 | N210-A212 PolarHBondContact O-N 3.33Å; N210-G258 PolarHBondContact ND2-O 3.14Å; N210-N259 HydrophobicContact CB-CB 3.79Å; N210-C260 PolarHBondContact O-N 2.75Å |
| 211 | L | 95.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 21.3 | -173.9 | -63.4 | 169.9 | 0 | 0 | 0 | 115.7 | R209 V234 C260 C262 E268 | R209-L211 PolarHBondContact O-N 3.45Å; L211-V234 HydrophobicContact CB-CG2 4.2Å; L211-V234 HydrophobicContact CD2-CG2 4.01Å; L211-V234 PolarHBondContact O-N 3.08Å; L211-C260 HydrophobicContact CB-CB 3.89Å; L211-C262 HydrophobicContact CD1-CB 4.41Å; L211-C262 WeakPolarHBondContact CD1-SG 3.38Å; L211-E268 HydrophobicContact CD1-CB 4.34Å; L211-E268 HydrophobicContact CD2-CB 4.04Å; L211-E268 HydrophobicContact CD2-CG 3.72Å; L211-E268 HydrophobicContact CG-CG 4.31Å |
| 212 | A | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V208 R209 N210 F214 S232 P243 | V208-A212 CarbonylContact C-O 3.56Å; V208-A212 VanDerWaalsContact CA-O 3.31Å; V208-A212 WeakPolarHBondContact CA-O 3.23Å; R209-A212 PolarHBondContact N-O 2.72Å; R209-A212 PolarHBondContact O-N 3.32Å; R209-A212 VanDerWaalsContact O-O 3.11Å; N210-A212 PolarHBondContact O-N 3.33Å; A212-F214 HydrophobicContact CB-CE2 3.73Å; A212-F214 HydrophobicContact CB-CZ 4.06Å; A212-F214 VanDerWaalsContact O-CD2 3.29Å; A212-F214 WeakPolarHBondContact O-CD2 3.32Å; A212-F214 VanDerWaalsContact O-CE2 3.31Å; A212-F214 WeakPolarHBondContact O-CE2 3.44Å; A212-S232 CarbonylContact C-O 3.5Å; A212-S232 WeakPolarHBondContact CA-O 3.22Å; A212-P243 HydrophobicContact CB-CB 3.39Å; A212-P243 HydrophobicContact CB-CG 3.65Å |
| 213 | Q | 96.4 | Very high | 92.8 | Very high | 90 Ų | 90 | 47.7 Ų | 47.7 | 42% | 0.421 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.5 | 174.1 | -172.8 | 176.2 | 17.5 | 0 | 0 | 110.3 | L206 T207 V208 G231 S232 V234 | L206-Q213 HydrophobicContact CD1-CG 4.24Å; T207-Q213 WeakPolarHBondContact O-CA 3.22Å; V208-Q213 HydrophobicContact CG2-CB 4.2Å; V208-Q213 HydrophobicContact CG2-CG 4.21Å; Q213-G231 CarbonylContact O-C 3.56Å; Q213-G231 VanDerWaalsContact O-CA 3.31Å; Q213-G231 WeakPolarHBondContact O-CA 3.21Å; Q213-S232 PolarHBondContact N-O 2.77Å; Q213-S232 PolarHBondContact O-N 3.46Å; Q213-V234 HydrophobicContact CB-CG1 4.5Å |
| 214 | F | 96.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.2 | 178.3 | -63.5 | -95.7 | 0 | 0 | 0 | 108.9 | L206 T207 R209 A212 V229 P243 M245 W253 | L206-F214 WeakPolarHBondContact CA-O 3.31Å; T207-F214 HydrophobicContact CG2-CB 4.2Å; T207-F214 PolarHBondContact N-O 3.37Å; T207-F214 VanDerWaalsContact N-O 3.08Å; T207-F214 PolarHBondContact O-N 3.4Å; R209-F214 HydrophobicContact CB-CE2 4.18Å; A212-F214 HydrophobicContact CB-CE2 3.73Å; A212-F214 HydrophobicContact CB-CZ 4.06Å; A212-F214 VanDerWaalsContact O-CD2 3.29Å; A212-F214 WeakPolarHBondContact O-CD2 3.32Å; A212-F214 VanDerWaalsContact O-CE2 3.31Å; A212-F214 WeakPolarHBondContact O-CE2 3.44Å; F214-V229 HydrophobicContact CD1-CB 4.47Å; F214-V229 HydrophobicContact CD1-CG1 4.16Å; F214-P243 HydrophobicContact CZ-CB 4.05Å; F214-M245 HydrophobicContact CD1-CB 3.82Å; F214-M245 HydrophobicContact CD1-CG 4.02Å; F214-M245 HydrophobicContact CD1-SD 4.02Å; F214-M245 HydrophobicContact CD2-CG 4.4Å; F214-M245 HydrophobicContact CD2-SD 3.46Å; F214-M245 WeakPolarHBondContact CD2-SD 3.49Å; F214-M245 HydrophobicContact CE1-CB 3.66Å; F214-M245 HydrophobicContact CE1-CG 3.57Å; F214-M245 HydrophobicContact CE1-SD 3.92Å; F214-M245 HydrophobicContact CE2-CG 4Å; F214-M245 HydrophobicContact CE2-SD 3.35Å; F214-M245 WeakPolarHBondContact CE2-SD 3.37Å; F214-M245 HydrophobicContact CG-CB 4.48Å; F214-M245 HydrophobicContact CG-CG 4.42Å; F214-M245 HydrophobicContact CG-SD 3.8Å; F214-M245 HydrophobicContact CZ-CB 4.2Å; F214-M245 HydrophobicContact CZ-CG 3.56Å; F214-M245 HydrophobicContact CZ-SD 3.6Å; F214-M245 VanDerWaalsContact CZ-SD 3.6Å; F214-W253 HydrophobicContact CB-CH2 3.95Å; F214-W253 HydrophobicContact CB-CZ2 3.8Å |
| 215 | P | 95.9 | Very high | 91.5 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 43% | 0.429 | 29% | 0.29 | S | S | . | . | trans | -71.1 | 160.8 | -174.7 | 30.1 | -36.9 | 0 | 0 | 0 | 113.2 | T217 V229 | P215-T217 PolarHBondContact O-N 3.05Å; P215-T217 VanDerWaalsContact O-N 3.07Å; P215-T217 PolarHBondContact O-OG1 3.45Å; P215-V229 HydrophobicContact CG-CG1 4.17Å | ||
| 216 | D | 95.9 | Very high | 91.2 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | trans | -47 | 115.2 | 162.2 | -96.7 | 6.7 | 0 | 0 | 0 | 109.7 | K203 C204 P205 L206 | K203-D216 HydrophobicContact CD-CB 4.46Å; K203-D216 IonicContact NZ-OD1 3.51Å; K203-D216 IonicContact NZ-OD2 3.6Å; K203-D216 PolarHBondContact NZ-OD2 2.96Å; C204-D216 WeakPolarHBondContact O-CA 2.97Å; P205-D216 WeakPolarHBondContact CA-OD1 3.27Å; L206-D216 PolarHBondContact N-OD1 2.94Å | ||
| 217 | T | 95.2 | Very high | 91.1 | Very high | 17 Ų | 17 | 52 Ų | 52 | 10% | 0.104 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 119.4 | -173.1 | -60.3 | 0 | 0 | 0 | 0 | 110.3 | K203 C204 P215 V227 V229 C247 | K203-T217 CarbonylContact C-O 3.59Å; K203-T217 WeakPolarHBondContact CA-O 3.33Å; K203-T217 WeakPolarHBondContact CB-O 3.18Å; C204-T217 PolarHBondContact N-O 2.7Å; C204-T217 PolarHBondContact O-N 2.97Å; P215-T217 PolarHBondContact O-N 3.05Å; P215-T217 VanDerWaalsContact O-N 3.07Å; P215-T217 PolarHBondContact O-OG1 3.45Å; T217-V227 HydrophobicContact CG2-CB 4.4Å; T217-V227 HydrophobicContact CG2-CG1 4.03Å; T217-V229 HydrophobicContact CG2-CG2 3.66Å; T217-C247 HydrophobicContact CG2-CB 3.91Å |
| 218 | I | 95.2 | Very high | 91 | Very high | 58 Ų | 58 | 54.9 Ų | 54.9 | 30% | 0.297 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 140.9 | 176.5 | -55.1 | -174.7 | 0 | 0 | 0 | 109.8 | Y201 | Y201-I218 HydrophobicContact CD2-CG2 4Å; Y201-I218 HydrophobicContact CE2-CD1 4.04Å; Y201-I218 HydrophobicContact CE2-CG1 3.99Å; Y201-I218 HydrophobicContact CE2-CG2 4.11Å |
| 219 | T | 93.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | trans | -67.3 | 157.3 | 179.2 | 58 | 0 | 0 | 0 | 0 | 113 | K202 G248 | K202-T219 HydrophobicContact CB-CG2 3.77Å; K202-T219 PolarHBondContact O-N 2.99Å; K202-T219 VanDerWaalsContact O-N 3.13Å; K202-T219 PolarHBondContact O-OG1 3.36Å; T219-G248 WeakPolarHBondContact CG2-O 3.45Å | ||
| 220 | G | 87.4 | Confident | 91.2 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | trans | -72.3 | -177.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | D222 | G220-D222 PolarHBondContact O-N 3.02Š| ||
| 221 | A | 83.3 | Confident | 91.3 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -61.1 | -39.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R96 P175 | R96-A221 VanDerWaalsContact CZ-O 3.22Å; R96-A221 PolarHBondContact NE-O 3.42Å; R96-A221 PolarHBondContact NH2-O 2.91Å; P175-A221 HydrophobicContact CB-CB 3.93Å; P175-A221 HydrophobicContact CG-CB 4.46Å |
| 222 | D | 83.1 | Confident | 91.3 | Very high | 78 Ų | 78 | 53.7 Ų | 53.7 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -116.2 | 156.9 | -168.3 | -56.5 | -46.3 | 0 | 0 | 0 | 112.5 | R96 G220 S224 S225 A249 | R96-D222 IonicContact NH2-OD1 3.93Å; G220-D222 PolarHBondContact O-N 3.02Å; D222-S224 PolarHBondContact O-N 3.36Å; D222-S225 PolarHBondContact N-OG 3.31Å; D222-S225 VanDerWaalsContact O-CB 3.23Å; D222-S225 WeakPolarHBondContact O-CB 3.45Å; D222-S225 PolarHBondContact O-N 3.24Å; D222-S225 PolarHBondContact O-OG 2.86Å; D222-A249 VanDerWaalsContact O-CB 3.32Å; D222-A249 WeakPolarHBondContact O-CB 3.03Å |
| 223 | T | 75.5 | Confident | 91.3 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 57% | 0.571 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -7.7 | 178.2 | 52 | 0 | 0 | 0 | 0 | 114.5 | A249 | T223-A249 WeakPolarHBondContact O-CB 3.5Š|
| 224 | S | 81.9 | Confident | 91.3 | Very high | 102 Ų | 102 | 52.3 Ų | 52.3 | 71% | 0.713 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 6.8 | 172 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | D222 | D222-S224 PolarHBondContact O-N 3.36Š|
| 225 | S | 83.6 | Confident | 91.2 | Very high | 24 Ų | 24 | 58.6 Ų | 58.6 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | trans | -65.7 | 138.9 | 179.8 | -78.5 | 0 | 0 | 0 | 0 | 112.5 | D222 A249 | D222-S225 PolarHBondContact N-OG 3.31Å; D222-S225 VanDerWaalsContact O-CB 3.23Å; D222-S225 WeakPolarHBondContact O-CB 3.45Å; D222-S225 PolarHBondContact O-N 3.24Å; D222-S225 PolarHBondContact O-OG 2.86Å; S225-A249 PolarHBondContact O-N 2.82Å | ||
| 226 | L | 89.3 | Confident | 91.1 | Very high | 101 Ų | 101 | 58.5 Ų | 58.5 | 53% | 0.529 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 117.4 | 170.6 | -60.3 | -174.9 | 0 | 0 | 0 | 109.4 | Y246 C247 L254 | L226-Y246 HydrophobicContact CB-CD1 4.22Å; L226-C247 WeakPolarHBondContact CA-O 3.37Å; L226-L254 HydrophobicContact CD1-CD1 4.12Å; L226-L254 HydrophobicContact CD2-CD1 3.5Å; L226-L254 VanDerWaalsContact CD2-CD1 3.5Å; L226-L254 HydrophobicContact CG-CD1 4.45Å |
| 227 | V | 92.2 | Very high | 91.1 | Very high | 47 Ų | 47 | 55.3 Ų | 55.3 | 29% | 0.285 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.8 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | T217 V229 Y246 C247 | T217-V227 HydrophobicContact CG2-CB 4.4Å; T217-V227 HydrophobicContact CG2-CG1 4.03Å; V227-V229 HydrophobicContact CG1-CG2 4.33Å; V227-Y246 CarbonylContact O-C 3.57Å; V227-Y246 WeakPolarHBondContact O-CA 3.46Å; V227-C247 HydrophobicContact CB-CB 4.28Å; V227-C247 PolarHBondContact N-O 2.96Å; V227-C247 PolarHBondContact O-N 2.83Å |
| 228 | E | 94.2 | Very high | 91 | Very high | 94 Ų | 94 | 59.6 Ų | 59.6 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 129.4 | 173.4 | -166.3 | -169 | 94.5 | 0 | 0 | 110.3 | K244 Y246 | E228-K244 HydrophobicContact CG-CD 4.26Å; E228-K244 WeakPolarHBondContact OE1-CE 3.44Å; E228-K244 IonicContact OE1-NZ 3.24Å; E228-K244 PolarHBondContact OE1-NZ 3.17Å; E228-K244 IonicContact OE2-NZ 3.61Å; E228-K244 PolarHBondContact OE2-NZ 3.26Å; E228-Y246 HydrophobicContact CB-CD1 3.96Å; E228-Y246 HydrophobicContact CB-CE1 3.64Å; E228-Y246 HydrophobicContact CG-CD1 4.26Å; E228-Y246 HydrophobicContact CG-CE1 3.7Å; E228-Y246 PolarHBondContact OE2-OH 2.85Å |
| 229 | V | 96 | Very high | 91 | Very high | 14 Ų | 14 | 61 Ų | 61 | 9% | 0.085 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123.1 | 176.8 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | F214 P215 T217 V227 K244 M245 W253 | F214-V229 HydrophobicContact CD1-CB 4.47Å; F214-V229 HydrophobicContact CD1-CG1 4.16Å; P215-V229 HydrophobicContact CG-CG1 4.17Å; T217-V229 HydrophobicContact CG2-CG2 3.66Å; V227-V229 HydrophobicContact CG1-CG2 4.33Å; V229-K244 WeakPolarHBondContact O-CA 3.39Å; V229-M245 PolarHBondContact N-O 2.91Å; V229-M245 PolarHBondContact O-N 2.96Å; V229-W253 HydrophobicContact CB-CH2 3.95Å; V229-W253 HydrophobicContact CB-CZ3 4.09Å; V229-W253 HydrophobicContact CG1-CH2 4.15Å; V229-W253 HydrophobicContact CG2-CH2 3.86Å; V229-W253 HydrophobicContact CG2-CZ3 4.04Å |
| 230 | R | 95.7 | Very high | 90.9 | Very high | 143 Ų | 143 | 66.5 Ų | 66.5 | 54% | 0.54 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127.2 | 168.4 | -172.3 | -175.1 | 179.1 | 165.7 | 4.8 | 109.2 | E239 V242 P243 | R230-E239 IonicContact CZ-OE2 2.72Å; R230-E239 IonicContact NE-OE2 2.72Å; R230-E239 IonicContact NH2-OE1 3.13Å; R230-E239 PolarHBondContact NH2-OE1 3.15Å; R230-E239 IonicContact NH2-OE2 2.72Å; R230-E239 PolarHBondContact NH2-OE2 2.9Å; R230-V242 HydrophobicContact CG-CG1 4.15Å; R230-P243 WeakPolarHBondContact CA-O 3.42Å |
| 231 | G | 95.2 | Very high | 91 | Very high | 3 Ų | 3 | 70.1 Ų | 70.1 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | trans | -75.8 | 157.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q213 P243 | Q213-G231 CarbonylContact O-C 3.56Å; Q213-G231 VanDerWaalsContact O-CA 3.31Å; Q213-G231 WeakPolarHBondContact O-CA 3.21Å; G231-P243 PolarHBondContact N-O 2.03Å | ||
| 232 | S | 96.1 | Very high | 91.5 | Very high | 82 Ų | 82 | 72.2 Ų | 72.2 | 57% | 0.573 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.8 | 169.2 | -62.8 | 0 | 0 | 0 | 0 | 109.3 | A212 Q213 V234 | A212-S232 CarbonylContact C-O 3.5Å; A212-S232 WeakPolarHBondContact CA-O 3.22Å; Q213-S232 PolarHBondContact N-O 2.77Å; Q213-S232 PolarHBondContact O-N 3.46Å; S232-V234 PolarHBondContact O-N 2.89Å |
| 233 | C | 96.3 | Very high | 92.1 | Very high | 41 Ų | 41 | 68.6 Ų | 68.6 | 28% | 0.277 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 137.3 | 177.7 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | S237 E239 C260 | C233-S237 WeakPolarHBondContact CB-OG 3.31Å; C233-E239 VanDerWaalsContact SG-CA 3.59Å; C233-C260 WeakPolarHBondContact CA-SG 3.44Å; C233-C260 HydrophobicContact CB-CB 3.74Å; C233-C260 WeakPolarHBondContact CB-SG 3.46Å; C233-C260 WeakPolarHBondContact SG-CB 3.11Å; C233-C260 CovalentContact SG-SG 2.04Å; C233-C260 PolarHBondContact SG-SG 2.84Å |
| 234 | V | 95.8 | Very high | 93 | Very high | 20 Ų | 20 | 67.1 Ų | 67.1 | 12% | 0.121 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 159.2 | 177.8 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | V208 L211 Q213 S232 S237 | V208-V234 HydrophobicContact CG1-CG1 3.83Å; L211-V234 HydrophobicContact CB-CG2 4.2Å; L211-V234 HydrophobicContact CD2-CG2 4.01Å; L211-V234 PolarHBondContact O-N 3.08Å; Q213-V234 HydrophobicContact CB-CG1 4.5Å; S232-V234 PolarHBondContact O-N 2.89Å; V234-S237 PolarHBondContact N-OG 3.42Å; V234-S237 WeakPolarHBondContact O-CB 3.12Å; V234-S237 PolarHBondContact O-N 3.35Å; V234-S237 VanDerWaalsContact O-N 3.12Å; V234-S237 PolarHBondContact O-OG 3.33Å |
| 235 | N | 94.1 | Very high | 93.5 | Very high | 134 Ų | 134 | 62.4 Ų | 62.4 | 72% | 0.717 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 143.3 | -178.1 | -164 | 14.6 | 0 | 0 | 0 | 111.7 | S237 | N235-S237 VanDerWaalsContact C-N 3.31Š|
| 236 | N | 94.1 | Very high | 93.9 | Very high | 64 Ų | 64 | 64.5 Ų | 64.5 | 34% | 0.342 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 30.6 | -170.3 | -44.4 | -56.5 | 0 | 0 | 0 | 114.9 | N263 C273 | N236-N263 WeakPolarHBondContact O-CB 3.39Å; N236-N263 PolarHBondContact O-N 2.78Å; N236-N263 PolarHBondContact O-OD1 3.36Å; N236-C273 HydrophobicContact CB-CB 4.16Å; N236-C273 WeakPolarHBondContact O-CB 3.32Å |
| 237 | S | 95.3 | Very high | 94.2 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 13% | 0.126 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 154.8 | 169.9 | 75.1 | 0 | 0 | 0 | 0 | 113.3 | C233 V234 N235 L261 N263 C273 | C233-S237 WeakPolarHBondContact CB-OG 3.31Å; V234-S237 PolarHBondContact N-OG 3.42Å; V234-S237 WeakPolarHBondContact O-CB 3.12Å; V234-S237 PolarHBondContact O-N 3.35Å; V234-S237 VanDerWaalsContact O-N 3.12Å; V234-S237 PolarHBondContact O-OG 3.33Å; N235-S237 VanDerWaalsContact C-N 3.31Å; S237-L261 CarbonylContact C-O 3.54Å; S237-L261 WeakPolarHBondContact CA-O 3.34Å; S237-L261 VanDerWaalsContact CB-O 3.27Å; S237-L261 WeakPolarHBondContact CB-O 3.35Å; S237-N263 VanDerWaalsContact C-OD1 3.23Å; S237-N263 WeakPolarHBondContact CA-OD1 3.08Å; S237-C273 VanDerWaalsContact CB-SG 3.59Å |
| 238 | E | 93.5 | Very high | 94.1 | Very high | 106 Ų | 106 | 57.7 Ų | 57.7 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.4 | -179.4 | -79.9 | 164.1 | -177.1 | 0 | 0 | 111.3 | K240 C260 L261 N263 | E238-K240 PolarHBondContact O-N 2.93Å; E238-C260 CarbonylContact O-C 3.49Å; E238-C260 WeakPolarHBondContact O-CA 3.42Å; E238-C260 WeakPolarHBondContact O-CB 3.35Å; E238-L261 PolarHBondContact N-O 3.2Å; E238-L261 PolarHBondContact O-N 3.15Å; E238-N263 WeakPolarHBondContact CG-OD1 3.47Å; E238-N263 PolarHBondContact N-OD1 3.13Å |
| 239 | E | 94.6 | Very high | 93.8 | Very high | 87 Ų | 87 | 53.6 Ų | 53.6 | 41% | 0.407 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 117.8 | 176.2 | -175.7 | 171.8 | 89.7 | 0 | 0 | 110.2 | R230 C233 P243 | R230-E239 IonicContact CZ-OE2 2.72Å; R230-E239 IonicContact NE-OE2 2.72Å; R230-E239 IonicContact NH2-OE1 3.13Å; R230-E239 PolarHBondContact NH2-OE1 3.15Å; R230-E239 IonicContact NH2-OE2 2.72Å; R230-E239 PolarHBondContact NH2-OE2 2.9Å; C233-E239 VanDerWaalsContact SG-CA 3.59Å; E239-P243 WeakPolarHBondContact OE2-CD 3.43Å |
| 240 | K | 91 | Very high | 93.5 | Very high | 119 Ų | 119 | 56.8 Ų | 56.8 | 52% | 0.517 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -48.8 | 172.6 | 173.1 | -179.3 | 159.3 | -73.5 | 0 | 111 | E238 N259 L261 | E238-K240 PolarHBondContact O-N 2.93Å; K240-N259 PolarHBondContact N-O 2.77Å; K240-N259 VanDerWaalsContact N-O 3.07Å; K240-N259 PolarHBondContact NZ-OD1 2.77Å; K240-L261 HydrophobicContact CB-CD1 4.21Å; K240-L261 HydrophobicContact CB-CG 4.16Å; K240-L261 HydrophobicContact CD-CD1 3.75Å; K240-L261 HydrophobicContact CD-CG 4.13Å; K240-L261 HydrophobicContact CG-CD1 4.43Å |
| 241 | D | 91.5 | Very high | 93.2 | Very high | 83 Ų | 83 | 50 Ų | 50 | 44% | 0.444 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.6 | 175.7 | -73.8 | -71.8 | 0 | 0 | 0 | 107 | P243 G258 N259 | D241-P243 WeakPolarHBondContact O-CD 3.3Å; D241-G258 CarbonylContact O-C 3.58Å; D241-G258 WeakPolarHBondContact O-CA 3.43Å; D241-N259 PolarHBondContact N-O 3.18Å; D241-N259 PolarHBondContact O-N 3.4Å |
| 242 | V | 93.7 | Very high | 93.1 | Very high | 64 Ų | 64 | 54.9 Ų | 54.9 | 39% | 0.388 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 113.5 | -170.2 | -176 | 0 | 0 | 0 | 0 | 111.5 | R230 K244 | R230-V242 HydrophobicContact CG-CG1 4.15Å; V242-K244 HydrophobicContact CG1-CG 4.45Å; V242-K244 PolarHBondContact O-N 3.04Å |
| 243 | P | 95.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.2 | -175.9 | 29.2 | -33.9 | 0 | 0 | 0 | 110.4 | A212 F214 R230 G231 E239 D241 I257 | A212-P243 HydrophobicContact CB-CB 3.39Å; A212-P243 HydrophobicContact CB-CG 3.65Å; F214-P243 HydrophobicContact CZ-CB 4.05Å; R230-P243 WeakPolarHBondContact CA-O 3.42Å; G231-P243 PolarHBondContact N-O 2.03Å; E239-P243 WeakPolarHBondContact OE2-CD 3.43Å; D241-P243 WeakPolarHBondContact O-CD 3.3Å; P243-I257 CarbonylContact C-O 3.32Å; P243-I257 WeakPolarHBondContact CA-O 3.49Å |
| 244 | K | 93.4 | Very high | 92.4 | Very high | 62 Ų | 62 | 54.2 Ų | 54.2 | 27% | 0.27 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 143.1 | 178.8 | -67.7 | -170.5 | 174.2 | -155.3 | 0 | 110.9 | E228 V229 V242 P256 I257 | E228-K244 HydrophobicContact CG-CD 4.26Å; E228-K244 WeakPolarHBondContact OE1-CE 3.44Å; E228-K244 IonicContact OE1-NZ 3.24Å; E228-K244 PolarHBondContact OE1-NZ 3.17Å; E228-K244 IonicContact OE2-NZ 3.61Å; E228-K244 PolarHBondContact OE2-NZ 3.26Å; V229-K244 WeakPolarHBondContact O-CA 3.39Å; V242-K244 HydrophobicContact CG1-CG 4.45Å; V242-K244 PolarHBondContact O-N 3.04Å; K244-P256 WeakPolarHBondContact O-CA 3.3Å; K244-I257 PolarHBondContact N-O 2.7Å; K244-I257 PolarHBondContact O-N 2.61Å |
| 245 | M | 93 | Very high | 91.9 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 160.1 | 170.3 | -74.2 | 177 | 63.5 | 0 | 0 | 109.4 | T207 R209 F214 V229 W253 P256 | T207-M245 HydrophobicContact CG2-CE 4.35Å; R209-M245 HydrophobicContact CB-SD 3.74Å; R209-M245 HydrophobicContact CG-CE 3.94Å; R209-M245 HydrophobicContact CG-SD 3.68Å; F214-M245 HydrophobicContact CD1-CB 3.82Å; F214-M245 HydrophobicContact CD1-CG 4.02Å; F214-M245 HydrophobicContact CD1-SD 4.02Å; F214-M245 HydrophobicContact CD2-CG 4.4Å; F214-M245 HydrophobicContact CD2-SD 3.46Å; F214-M245 WeakPolarHBondContact CD2-SD 3.49Å; F214-M245 HydrophobicContact CE1-CB 3.66Å; F214-M245 HydrophobicContact CE1-CG 3.57Å; F214-M245 HydrophobicContact CE1-SD 3.92Å; F214-M245 HydrophobicContact CE2-CG 4Å; F214-M245 HydrophobicContact CE2-SD 3.35Å; F214-M245 WeakPolarHBondContact CE2-SD 3.37Å; F214-M245 HydrophobicContact CG-CB 4.48Å; F214-M245 HydrophobicContact CG-CG 4.42Å; F214-M245 HydrophobicContact CG-SD 3.8Å; F214-M245 HydrophobicContact CZ-CB 4.2Å; F214-M245 HydrophobicContact CZ-CG 3.56Å; F214-M245 HydrophobicContact CZ-SD 3.6Å; F214-M245 VanDerWaalsContact CZ-SD 3.6Å; V229-M245 PolarHBondContact N-O 2.91Å; V229-M245 PolarHBondContact O-N 2.96Å; M245-W253 HydrophobicContact CB-CE3 3.7Å; M245-W253 HydrophobicContact CB-CZ3 3.75Å; M245-W253 HydrophobicContact CE-CB 3.47Å; M245-W253 VanDerWaalsContact CE-CB 3.47Å; M245-W253 HydrophobicContact CE-CD2 3.72Å; M245-W253 HydrophobicContact CE-CE3 3.79Å; M245-W253 HydrophobicContact CE-CG 3.63Å; M245-P256 HydrophobicContact CG-CB 3.65Å; M245-P256 HydrophobicContact SD-CB 3.94Å |
| 246 | Y | 92.8 | Very high | 91.6 | Very high | 69 Ų | 69 | 53.9 Ų | 53.9 | 27% | 0.271 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.6 | 173.1 | -62.2 | -88.6 | 0 | 0 | 0 | 109.4 | L226 V227 E228 L254 I257 | L226-Y246 HydrophobicContact CB-CD1 4.22Å; V227-Y246 CarbonylContact O-C 3.57Å; V227-Y246 WeakPolarHBondContact O-CA 3.46Å; E228-Y246 HydrophobicContact CB-CD1 3.96Å; E228-Y246 HydrophobicContact CB-CE1 3.64Å; E228-Y246 HydrophobicContact CG-CD1 4.26Å; E228-Y246 HydrophobicContact CG-CE1 3.7Å; E228-Y246 PolarHBondContact OE2-OH 2.85Å; Y246-L254 PolarHBondContact O-N 2.97Å; Y246-I257 HydrophobicContact CE2-CD1 4.18Å |
| 247 | C | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121 | 170 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | C204 T217 L226 V227 W253 | C204-C247 HydrophobicContact CB-CB 3.75Å; C204-C247 WeakPolarHBondContact CB-SG 3.34Å; C204-C247 WeakPolarHBondContact SG-CA 3.44Å; C204-C247 WeakPolarHBondContact SG-CB 3.49Å; C204-C247 CovalentContact SG-SG 2.03Å; C204-C247 PolarHBondContact SG-SG 3.27Å; T217-C247 HydrophobicContact CG2-CB 3.91Å; L226-C247 WeakPolarHBondContact CA-O 3.37Å; V227-C247 HydrophobicContact CB-CB 4.28Å; V227-C247 PolarHBondContact N-O 2.96Å; V227-C247 PolarHBondContact O-N 2.83Å; C247-W253 HydrophobicContact CB-CE3 4.21Å; C247-W253 HydrophobicContact CB-CH2 4.33Å; C247-W253 HydrophobicContact CB-CZ3 3.9Å |
| 248 | G | 90.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 155.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T219 D250 G251 E252 | T219-G248 WeakPolarHBondContact CG2-O 3.45Å; G248-D250 PolarHBondContact O-N 3.17Å; G248-D250 VanDerWaalsContact O-N 3.15Å; G248-G251 PolarHBondContact O-N 3.34Å; G248-E252 PolarHBondContact N-O 2.8Å |
| 249 | A | 89.1 | Confident | 91.1 | Very high | 8 Ų | 8 | 52 Ų | 52 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y98 D222 T223 S225 G251 | Y98-A249 PolarHBondContact OH-O 2.88Å; D222-A249 VanDerWaalsContact O-CB 3.32Å; D222-A249 WeakPolarHBondContact O-CB 3.03Å; T223-A249 WeakPolarHBondContact O-CB 3.5Å; S225-A249 PolarHBondContact O-N 2.82Å; A249-G251 VanDerWaalsContact C-N 3.29Å |
| 250 | D | 88.4 | Confident | 91.1 | Very high | 81 Ų | 81 | 48 Ų | 48 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.5 | 172.6 | 58.2 | -6.2 | 0 | 0 | 0 | 114.2 | N29 K202 G248 E252 | N29-D250 PolarHBondContact ND2-O 2.96Å; K202-D250 WeakPolarHBondContact CD-O 3.45Å; K202-D250 PolarHBondContact NZ-O 3.07Å; G248-D250 PolarHBondContact O-N 3.17Å; G248-D250 VanDerWaalsContact O-N 3.15Å; D250-E252 PolarHBondContact OD1-N 3.12Å; D250-E252 VanDerWaalsContact OD1-N 3.08Å |
| 251 | G | 90.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 83.8 | 10.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C204 G248 A249 | C204-G251 WeakPolarHBondContact CA-O 3.49Å; G248-G251 PolarHBondContact O-N 3.34Å; A249-G251 VanDerWaalsContact C-N 3.29Å |
| 252 | E | 92 | Very high | 91.6 | Very high | 107 Ų | 107 | 40.7 Ų | 40.7 | 50% | 0.5 | 22% | 0.217 | S | C | . | . | trans | -95.3 | 149.1 | 177.3 | -73.3 | -61.3 | 151.9 | 0 | 0 | 113.1 | C204 G248 D250 | C204-E252 PolarHBondContact SG-O 3.42Å; C204-E252 VanDerWaalsContact SG-O 3.35Å; G248-E252 PolarHBondContact N-O 2.8Å; D250-E252 PolarHBondContact OD1-N 3.12Å; D250-E252 VanDerWaalsContact OD1-N 3.08Å | ||
| 253 | W | 92.1 | Very high | 91.7 | Very high | 36 Ų | 36 | 39.6 Ų | 39.6 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -89.2 | 118.5 | 178.5 | -85.3 | 120.6 | 0 | 0 | 0 | 111.2 | C204 P205 T207 F214 V229 M245 C247 | C204-W253 HydrophobicContact CB-CD2 3.69Å; C204-W253 VanDerWaalsContact CB-CE2 3.41Å; C204-W253 HydrophobicContact CB-CE3 4.23Å; C204-W253 HydrophobicContact CB-CG 4.06Å; C204-W253 HydrophobicContact CB-CH2 4.3Å; C204-W253 HydrophobicContact CB-CZ2 3.76Å; P205-W253 PolarHBondContact O-NE1 3.32Å; T207-W253 HydrophobicContact CG2-CD2 4.45Å; T207-W253 HydrophobicContact CG2-CG 4.23Å; F214-W253 HydrophobicContact CB-CH2 3.95Å; F214-W253 HydrophobicContact CB-CZ2 3.8Å; V229-W253 HydrophobicContact CB-CH2 3.95Å; V229-W253 HydrophobicContact CB-CZ3 4.09Å; V229-W253 HydrophobicContact CG1-CH2 4.15Å; V229-W253 HydrophobicContact CG2-CH2 3.86Å; V229-W253 HydrophobicContact CG2-CZ3 4.04Å; M245-W253 HydrophobicContact CB-CE3 3.7Å; M245-W253 HydrophobicContact CB-CZ3 3.75Å; M245-W253 HydrophobicContact CE-CB 3.47Å; M245-W253 VanDerWaalsContact CE-CB 3.47Å; M245-W253 HydrophobicContact CE-CD2 3.72Å; M245-W253 HydrophobicContact CE-CE3 3.79Å; M245-W253 HydrophobicContact CE-CG 3.63Å; C247-W253 HydrophobicContact CB-CE3 4.21Å; C247-W253 HydrophobicContact CB-CH2 4.33Å; C247-W253 HydrophobicContact CB-CZ3 3.9Å |
| 254 | L | 87.5 | Confident | 91.6 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 38% | 0.382 | 22% | 0.223 | S | C | . | . | trans | -80.1 | 176.6 | 175.8 | -56.5 | -171.4 | 0 | 0 | 0 | 112.8 | L226 Y246 | L226-L254 HydrophobicContact CD1-CD1 4.12Å; L226-L254 HydrophobicContact CD2-CD1 3.5Å; L226-L254 VanDerWaalsContact CD2-CD1 3.5Å; L226-L254 HydrophobicContact CG-CD1 4.45Å; Y246-L254 PolarHBondContact O-N 2.97Å | ||
| 255 | V | 83.9 | Confident | 91.7 | Very high | 104 Ų | 104 | 38.3 Ų | 38.3 | 63% | 0.63 | 21% | 0.21 | S | C | * | . | trans | -50.7 | 124.8 | -171 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 256 | P | 88.3 | Confident | 91.9 | Very high | 43 Ų | 43 | 39.8 Ų | 39.8 | 28% | 0.279 | 22% | 0.217 | S | C | . | . | trans | -72.1 | 137.5 | 174.5 | 28.9 | -33.9 | 0 | 0 | 0 | 112.1 | R209 K244 M245 | R209-P256 HydrophobicContact CB-CB 4.4Å; R209-P256 HydrophobicContact CB-CG 4.5Å; K244-P256 WeakPolarHBondContact O-CA 3.3Å; M245-P256 HydrophobicContact CG-CB 3.65Å; M245-P256 HydrophobicContact SD-CB 3.94Å | ||
| 257 | I | 87.7 | Confident | 92 | Very high | 94 Ų | 94 | 37.7 Ų | 37.7 | 48% | 0.482 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.9 | 172.1 | -55.7 | 175.3 | 0 | 0 | 0 | 107.3 | P243 K244 Y246 | P243-I257 CarbonylContact C-O 3.32Å; P243-I257 WeakPolarHBondContact CA-O 3.49Å; K244-I257 PolarHBondContact N-O 2.7Å; K244-I257 PolarHBondContact O-N 2.61Å; Y246-I257 HydrophobicContact CE2-CD1 4.18Å |
| 258 | G | 90.2 | Very high | 92 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.2 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N210 D241 | N210-G258 PolarHBondContact ND2-O 3.14Å; D241-G258 CarbonylContact O-C 3.58Å; D241-G258 WeakPolarHBondContact O-CA 3.43Å |
| 259 | N | 94 | Very high | 92.1 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 153 | -178.6 | 79.3 | -91.9 | 0 | 0 | 0 | 111.9 | N210 K240 D241 L261 | N210-N259 HydrophobicContact CB-CB 3.79Å; K240-N259 PolarHBondContact N-O 2.77Å; K240-N259 VanDerWaalsContact N-O 3.07Å; K240-N259 PolarHBondContact NZ-OD1 2.77Å; D241-N259 PolarHBondContact N-O 3.18Å; D241-N259 PolarHBondContact O-N 3.4Å; N259-L261 WeakPolarHBondContact ND2-CD2 3.45Å |
| 260 | C | 95.1 | Very high | 92 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 165.6 | 161.1 | -47.5 | 0 | 0 | 0 | 0 | 109.8 | N210 L211 C233 E238 | N210-C260 PolarHBondContact O-N 2.75Å; L211-C260 HydrophobicContact CB-CB 3.89Å; C233-C260 WeakPolarHBondContact CA-SG 3.44Å; C233-C260 HydrophobicContact CB-CB 3.74Å; C233-C260 WeakPolarHBondContact CB-SG 3.46Å; C233-C260 WeakPolarHBondContact SG-CB 3.11Å; C233-C260 CovalentContact SG-SG 2.04Å; C233-C260 PolarHBondContact SG-SG 2.84Å; E238-C260 CarbonylContact O-C 3.49Å; E238-C260 WeakPolarHBondContact O-CA 3.42Å; E238-C260 WeakPolarHBondContact O-CB 3.35Å |
| 261 | L | 95.6 | Very high | 91.9 | Very high | 45 Ų | 45 | 50.7 Ų | 50.7 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.5 | 174.9 | -70.8 | 179.8 | 0 | 0 | 0 | 109.8 | S237 E238 K240 N259 N263 T286 | S237-L261 CarbonylContact C-O 3.54Å; S237-L261 WeakPolarHBondContact CA-O 3.34Å; S237-L261 VanDerWaalsContact CB-O 3.27Å; S237-L261 WeakPolarHBondContact CB-O 3.35Å; E238-L261 PolarHBondContact N-O 3.2Å; E238-L261 PolarHBondContact O-N 3.15Å; K240-L261 HydrophobicContact CB-CD1 4.21Å; K240-L261 HydrophobicContact CB-CG 4.16Å; K240-L261 HydrophobicContact CD-CD1 3.75Å; K240-L261 HydrophobicContact CD-CG 4.13Å; K240-L261 HydrophobicContact CG-CD1 4.43Å; N259-L261 WeakPolarHBondContact ND2-CD2 3.45Å; L261-N263 PolarHBondContact O-N 3.05Å; L261-T286 HydrophobicContact CD1-CG2 4.38Å |
| 262 | C | 96.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.027 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 136.7 | 172.9 | -62 | 0 | 0 | 0 | 0 | 111.1 | L211 H266 E267 E268 C273 K282 S285 | L211-C262 HydrophobicContact CD1-CB 4.41Å; L211-C262 WeakPolarHBondContact CD1-SG 3.38Å; C262-H266 HydrophobicContact CB-CB 3.99Å; C262-H266 WeakPolarHBondContact CB-O 3.19Å; C262-E267 VanDerWaalsContact SG-C 3.54Å; C262-E268 PolarHBondContact SG-N 3.4Å; C262-E268 VanDerWaalsContact SG-N 3.43Å; C262-C273 WeakPolarHBondContact CA-SG 3.35Å; C262-C273 HydrophobicContact CB-CB 3.66Å; C262-C273 WeakPolarHBondContact CB-SG 3.31Å; C262-C273 WeakPolarHBondContact SG-CA 3.21Å; C262-C273 WeakPolarHBondContact SG-CB 3.31Å; C262-C273 CovalentContact SG-SG 2.03Å; C262-C273 PolarHBondContact SG-SG 3.43Å; C262-K282 PolarHBondContact O-NZ 2.9Å; C262-S285 WeakPolarHBondContact O-CA 3.35Å; C262-S285 WeakPolarHBondContact O-CB 3.3Å |
| 263 | N | 96.1 | Very high | 92.3 | Very high | 41 Ų | 41 | 51.2 Ų | 51.2 | 22% | 0.219 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 170.8 | -175.5 | -68.8 | 9.7 | 0 | 0 | 0 | 112 | N236 S237 E238 L261 G265 H266 | N236-N263 WeakPolarHBondContact O-CB 3.39Å; N236-N263 PolarHBondContact O-N 2.78Å; N236-N263 PolarHBondContact O-OD1 3.36Å; S237-N263 VanDerWaalsContact C-OD1 3.23Å; S237-N263 WeakPolarHBondContact CA-OD1 3.08Å; E238-N263 WeakPolarHBondContact CG-OD1 3.47Å; E238-N263 PolarHBondContact N-OD1 3.13Å; L261-N263 PolarHBondContact O-N 3.05Å; N263-G265 PolarHBondContact O-N 3.44Å; N263-H266 PolarHBondContact O-N 3.27Å |
| 264 | A | 94.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 52.4 Ų | 52.4 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 142.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | H266 T305 | A264-H266 VanDerWaalsContact C-N 3.27Å; A264-H266 PolarHBondContact O-N 2.9Å; A264-H266 PolarHBondContact O-ND1 3.4Å; A264-T305 HydrophobicContact CB-CG2 3.71Å |
| 265 | G | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 4.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | N263 C276 K282 G303 | N263-G265 PolarHBondContact O-N 3.44Å; G265-C276 PolarHBondContact O-N 3.31Å; G265-C276 PolarHBondContact O-SG 3.34Å; G265-K282 PolarHBondContact N-O 2.95Å; G265-G303 WeakPolarHBondContact CA-O 3.33Å; G265-G303 WeakPolarHBondContact O-CA 3.29Å |
| 266 | H | 96.3 | Very high | 93.4 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.7 | -176.3 | -62.9 | 75.9 | 0 | 0 | 0 | 113.7 | C262 N263 A264 C273 Q274 K282 | C262-H266 HydrophobicContact CB-CB 3.99Å; C262-H266 WeakPolarHBondContact CB-O 3.19Å; N263-H266 PolarHBondContact O-N 3.27Å; A264-H266 VanDerWaalsContact C-N 3.27Å; A264-H266 PolarHBondContact O-N 2.9Å; A264-H266 PolarHBondContact O-ND1 3.4Å; H266-C273 HydrophobicContact CB-CB 4.27Å; H266-Q274 CarbonylContact C-O 3.54Å; H266-Q274 WeakPolarHBondContact CA-O 3.46Å; H266-K282 WeakPolarHBondContact O-CD 3.43Å; H266-K282 WeakPolarHBondContact O-CE 3.43Å; H266-K282 PolarHBondContact O-NZ 3.13Å |
| 267 | E | 95.2 | Very high | 93.8 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 11% | 0.112 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 154.2 | 175.2 | 63.7 | 177.2 | -162.2 | 0 | 0 | 112.9 | C262 R269 C273 Q274 C290 | C262-E267 VanDerWaalsContact SG-C 3.54Å; E267-R269 PolarHBondContact O-N 3.24Å; E267-R269 IonicContact OE1-CZ 3.28Å; E267-R269 IonicContact OE1-NE 2.72Å; E267-R269 IonicContact OE1-NH2 2.91Å; E267-R269 PolarHBondContact OE1-NH2 3.29Å; E267-C273 WeakPolarHBondContact O-CA 3.03Å; E267-Q274 PolarHBondContact N-O 2.99Å; E267-Q274 PolarHBondContact O-N 2.85Å; E267-C290 HydrophobicContact CB-CB 4.5Å; E267-C290 VanDerWaalsContact CB-SG 3.59Å; E267-C290 HydrophobicContact CG-CB 4.41Å; E267-C290 VanDerWaalsContact CG-SG 3.55Å; E267-C290 VanDerWaalsContact OE2-CB 3.26Å; E267-C290 WeakPolarHBondContact OE2-CB 3.32Å; E267-C290 PolarHBondContact OE2-N 2.91Å |
| 268 | E | 94.6 | Very high | 94.2 | Very high | 110 Ų | 110 | 47 Ų | 47 | 51% | 0.514 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 125.4 | 175.1 | 176.6 | 166.6 | -159.5 | 0 | 0 | 110.5 | L211 C262 E272 | L211-E268 HydrophobicContact CD1-CB 4.34Å; L211-E268 HydrophobicContact CD2-CB 4.04Å; L211-E268 HydrophobicContact CD2-CG 3.72Å; L211-E268 HydrophobicContact CG-CG 4.31Å; C262-E268 PolarHBondContact SG-N 3.4Å; C262-E268 VanDerWaalsContact SG-N 3.43Å; E268-E272 CarbonylContact C-O 3.6Å; E268-E272 WeakPolarHBondContact CA-O 3.2Å |
| 269 | R | 91.8 | Very high | 94.3 | Very high | 118 Ų | 118 | 46.4 Ų | 46.4 | 45% | 0.445 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 121.2 | 172.3 | -166.4 | 173.6 | -65.4 | -134.6 | 1.1 | 109.7 | E267 G271 E272 Q274 | E267-R269 PolarHBondContact O-N 3.24Å; E267-R269 IonicContact OE1-CZ 3.28Å; E267-R269 IonicContact OE1-NE 2.72Å; E267-R269 IonicContact OE1-NH2 2.91Å; E267-R269 PolarHBondContact OE1-NH2 3.29Å; R269-G271 PolarHBondContact O-N 3.28Å; R269-G271 VanDerWaalsContact O-N 3.12Å; R269-E272 PolarHBondContact N-O 2.69Å; R269-E272 PolarHBondContact O-N 2.84Å; R269-Q274 HydrophobicContact CB-CG 4.29Å |
| 270 | S | 87.1 | Confident | 94.4 | Very high | 123 Ų | 123 | 49.4 Ų | 49.4 | 86% | 0.86 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 24.3 | 179.7 | -52.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 271 | G | 86.6 | Confident | 94.4 | Very high | 15 Ų | 15 | 50 Ų | 50 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -3.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V208 R269 | V208-G271 WeakPolarHBondContact CG1-O 3.27Å; R269-G271 PolarHBondContact O-N 3.28Å; R269-G271 VanDerWaalsContact O-N 3.12Å |
| 272 | E | 93.7 | Very high | 94.5 | Very high | 112 Ų | 112 | 48.2 Ų | 48.2 | 52% | 0.523 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 156.2 | 174.7 | -59.4 | 179.8 | 154.2 | 0 | 0 | 111.5 | E268 R269 Q274 | E268-E272 CarbonylContact C-O 3.6Å; E268-E272 WeakPolarHBondContact CA-O 3.2Å; R269-E272 PolarHBondContact N-O 2.69Å; R269-E272 PolarHBondContact O-N 2.84Å; E272-Q274 HydrophobicContact CB-CG 4.1Å; E272-Q274 PolarHBondContact OE2-NE2 3.12Å |
| 273 | C | 95.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 98 | 167.9 | -69.5 | 0 | 0 | 0 | 0 | 110.5 | N236 S237 C262 H266 E267 | N236-C273 HydrophobicContact CB-CB 4.16Å; N236-C273 WeakPolarHBondContact O-CB 3.32Å; S237-C273 VanDerWaalsContact CB-SG 3.59Å; C262-C273 WeakPolarHBondContact CA-SG 3.35Å; C262-C273 HydrophobicContact CB-CB 3.66Å; C262-C273 WeakPolarHBondContact CB-SG 3.31Å; C262-C273 WeakPolarHBondContact SG-CA 3.21Å; C262-C273 WeakPolarHBondContact SG-CB 3.31Å; C262-C273 CovalentContact SG-SG 2.03Å; C262-C273 PolarHBondContact SG-SG 3.43Å; H266-C273 HydrophobicContact CB-CB 4.27Å; E267-C273 WeakPolarHBondContact O-CA 3.03Å |
| 274 | Q | 95.7 | Very high | 94.1 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 29% | 0.285 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 143.4 | -176.8 | -61.4 | -168.7 | -3.1 | 0 | 0 | 111.1 | H266 E267 R269 E272 | H266-Q274 CarbonylContact C-O 3.54Å; H266-Q274 WeakPolarHBondContact CA-O 3.46Å; E267-Q274 PolarHBondContact N-O 2.99Å; E267-Q274 PolarHBondContact O-N 2.85Å; R269-Q274 HydrophobicContact CB-CG 4.29Å; E272-Q274 HydrophobicContact CB-CG 4.1Å; E272-Q274 PolarHBondContact OE2-NE2 3.12Å |
| 275 | A | 96.2 | Very high | 93.9 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 22% | 0.223 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 137.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K277 E302 | A275-K277 PolarHBondContact O-N 3.38Å; A275-E302 HydrophobicContact CB-CB 4.26Å |
| 276 | C | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 136.8 | 176 | -67.7 | 0 | 0 | 0 | 0 | 111 | G265 Y281 K282 C290 E302 G303 | G265-C276 PolarHBondContact O-N 3.31Å; G265-C276 PolarHBondContact O-SG 3.34Å; C276-Y281 VanDerWaalsContact SG-C 3.58Å; C276-K282 VanDerWaalsContact SG-CB 3.55Å; C276-C290 WeakPolarHBondContact CA-SG 3.29Å; C276-C290 HydrophobicContact CB-CB 3.76Å; C276-C290 WeakPolarHBondContact CB-SG 3.27Å; C276-C290 WeakPolarHBondContact SG-CB 3.45Å; C276-C290 CovalentContact SG-SG 2.03Å; C276-C290 PolarHBondContact SG-SG 2.65Å; C276-E302 CarbonylContact O-C 3.45Å; C276-E302 WeakPolarHBondContact O-CA 3.42Å; C276-E302 WeakPolarHBondContact O-CB 3.01Å; C276-G303 PolarHBondContact O-N 3.07Å |
| 277 | K | 96.1 | Very high | 93.3 | Very high | 83 Ų | 83 | 58.3 Ų | 58.3 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 155.9 | -179.3 | -60.3 | -51 | -177 | -169.5 | 0 | 112.6 | A275 G279 Y280 E302 | A275-K277 PolarHBondContact O-N 3.38Å; K277-G279 PolarHBondContact O-N 3.01Å; K277-Y280 HydrophobicContact CB-CD2 4.36Å; K277-Y280 WeakPolarHBondContact O-CA 3.47Å; K277-Y280 VanDerWaalsContact O-CB 3.27Å; K277-Y280 WeakPolarHBondContact O-CB 3.46Å; K277-Y280 PolarHBondContact O-N 3.46Å; K277-E302 WeakPolarHBondContact CD-OE1 3.48Å; K277-E302 WeakPolarHBondContact CE-OE1 3.03Å; K277-E302 IonicContact NZ-OE1 2.86Å; K277-E302 PolarHBondContact NZ-OE1 3.29Å; K277-E302 IonicContact NZ-OE2 3.4Å; K277-E302 PolarHBondContact NZ-OE2 3.15Å |
| 278 | I | 95.8 | Very high | 92.8 | Very high | 89 Ų | 89 | 61.6 Ų | 61.6 | 46% | 0.456 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 132 | -179.9 | -54.8 | 178.3 | 0 | 0 | 0 | 109.6 | Y280 Y298 S299 E302 | I278-Y280 VanDerWaalsContact C-N 3.34Å; I278-Y298 HydrophobicContact CG2-CE1 4.2Å; I278-S299 VanDerWaalsContact CG2-O 3.32Å; I278-S299 WeakPolarHBondContact CG2-O 3.47Å; I278-E302 HydrophobicContact CG1-CG 3.88Å |
| 279 | G | 92.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 60.6 Ų | 60.6 | 8% | 0.082 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K277 C293 S299 | K277-G279 PolarHBondContact O-N 3.01Å; G279-C293 PolarHBondContact O-N 3.12Å; G279-C293 PolarHBondContact O-SG 2.94Å; G279-C293 VanDerWaalsContact O-SG 3.41Å; G279-S299 VanDerWaalsContact C-OG 3.32Å; G279-S299 VanDerWaalsContact CA-OG 3.28Å; G279-S299 WeakPolarHBondContact CA-OG 3.35Å; G279-S299 PolarHBondContact N-O 3.08Å; G279-S299 PolarHBondContact N-OG 2.91Å; G279-S299 VanDerWaalsContact N-OG 3.08Å |
| 280 | Y | 95.9 | Very high | 92.9 | Very high | 99 Ų | 99 | 55.5 Ų | 55.5 | 39% | 0.388 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 163.2 | 170.4 | -61.9 | -109 | 0 | 0 | 0 | 110.6 | K277 I278 A291 K292 S299 | K277-Y280 HydrophobicContact CB-CD2 4.36Å; K277-Y280 WeakPolarHBondContact O-CA 3.47Å; K277-Y280 VanDerWaalsContact O-CB 3.27Å; K277-Y280 WeakPolarHBondContact O-CB 3.46Å; K277-Y280 PolarHBondContact O-N 3.46Å; I278-Y280 VanDerWaalsContact C-N 3.34Å; Y280-A291 CarbonylContact C-O 3.43Å; Y280-A291 WeakPolarHBondContact CA-O 3.49Å; Y280-A291 WeakPolarHBondContact CB-O 3.14Å; Y280-K292 VanDerWaalsContact CD1-CA 3.48Å; Y280-K292 HydrophobicContact CD1-CB 3.93Å; Y280-K292 HydrophobicContact CE1-CB 3.71Å; Y280-K292 HydrophobicContact CE1-CG 4.31Å; Y280-S299 PolarHBondContact N-OG 2.77Å; Y280-S299 VanDerWaalsContact N-OG 3.12Å; Y280-S299 WeakPolarHBondContact O-CB 3.48Å; Y280-S299 PolarHBondContact O-OG 2.95Å |
| 281 | Y | 95.8 | Very high | 93.2 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 6% | 0.059 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 165.8 | 178.6 | 77.3 | -69 | 0 | 0 | 0 | 110.9 | C276 A283 C290 A291 A304 C307 A321 S322 | C276-Y281 VanDerWaalsContact SG-C 3.58Å; Y281-A283 HydrophobicContact CE2-CB 4.26Å; Y281-C290 CarbonylContact O-C 3.54Å; Y281-C290 WeakPolarHBondContact O-CA 3.44Å; Y281-A291 HydrophobicContact CD1-CB 4.35Å; Y281-A291 VanDerWaalsContact CD1-O 3.23Å; Y281-A291 WeakPolarHBondContact CD1-O 3.48Å; Y281-A291 HydrophobicContact CE1-CB 3.64Å; Y281-A291 PolarHBondContact N-O 2.97Å; Y281-A291 PolarHBondContact O-N 3.22Å; Y281-A304 CarbonylContact C-O 3.6Å; Y281-A304 WeakPolarHBondContact CA-O 3.15Å; Y281-A304 WeakPolarHBondContact CB-O 3.47Å; Y281-C307 WeakPolarHBondContact CD1-SG 3.27Å; Y281-C307 VanDerWaalsContact CG-SG 3.57Å; Y281-A321 HydrophobicContact CE2-CB 4.17Å; Y281-S322 WeakPolarHBondContact OH-CA 3.28Å; Y281-S322 VanDerWaalsContact OH-CB 3.24Å; Y281-S322 WeakPolarHBondContact OH-CB 3.24Å |
| 282 | K | 96.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | trans | -145.5 | 117.6 | 170.5 | -176 | -167.9 | -174.9 | -171.6 | 0 | 109.8 | C262 G265 H266 C276 L284 S285 D287 A304 T305 | C262-K282 PolarHBondContact O-NZ 2.9Å; G265-K282 PolarHBondContact N-O 2.95Å; H266-K282 WeakPolarHBondContact O-CD 3.43Å; H266-K282 WeakPolarHBondContact O-CE 3.43Å; H266-K282 PolarHBondContact O-NZ 3.13Å; C276-K282 VanDerWaalsContact SG-CB 3.55Å; K282-L284 WeakPolarHBondContact CE-O 3.41Å; K282-S285 PolarHBondContact NZ-O 2.81Å; K282-D287 HydrophobicContact CD-CB 4.36Å; K282-D287 WeakPolarHBondContact CE-O 3.34Å; K282-D287 HydrophobicContact CG-CB 3.7Å; K282-D287 PolarHBondContact NZ-O 3.23Å; K282-D287 VanDerWaalsContact NZ-O 3.15Å; K282-A304 PolarHBondContact N-O 3.32Å; K282-T305 WeakPolarHBondContact O-CA 2.96Å | ||
| 283 | A | 92.6 | Very high | 93.7 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | trans | -83.2 | -37.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y281 D287 T305 A321 | Y281-A283 HydrophobicContact CE2-CB 4.26Å; A283-D287 PolarHBondContact N-OD2 2.7Å; A283-T305 VanDerWaalsContact CA-O 3.31Å; A283-T305 WeakPolarHBondContact CA-O 3.44Å; A283-A321 HydrophobicContact CB-CB 4.31Å | ||
| 284 | L | 92.3 | Very high | 93.7 | Very high | 103 Ų | 103 | 53.8 Ų | 53.8 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -126.9 | 149.2 | -176.2 | -60.5 | 169.9 | 0 | 0 | 0 | 109.9 | K282 T286 D287 | K282-L284 WeakPolarHBondContact CE-O 3.41Å; L284-T286 WeakPolarHBondContact CB-OG1 3.47Å; L284-T286 PolarHBondContact O-N 2.85Å; L284-D287 PolarHBondContact N-OD2 2.04Å; L284-D287 WeakPolarHBondContact O-CB 3.28Å; L284-D287 PolarHBondContact O-N 2.92Å |
| 285 | S | 89.9 | Confident | 93.7 | Very high | 31 Ų | 31 | 55 Ų | 55 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.4 | 173.5 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | C262 K282 D287 | C262-S285 WeakPolarHBondContact O-CA 3.35Å; C262-S285 WeakPolarHBondContact O-CB 3.3Å; K282-S285 PolarHBondContact NZ-O 2.81Å; S285-D287 VanDerWaalsContact C-N 3.29Å; S285-D287 PolarHBondContact O-N 3.34Å |
| 286 | T | 89.4 | Confident | 93.6 | Very high | 102 Ų | 102 | 57.9 Ų | 57.9 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -13.4 | 174.1 | 55.1 | 0 | 0 | 0 | 0 | 115.2 | L261 L284 | L261-T286 HydrophobicContact CD1-CG2 4.38Å; L284-T286 WeakPolarHBondContact CB-OG1 3.47Å; L284-T286 PolarHBondContact O-N 2.85Å |
| 287 | D | 88.8 | Confident | 93.6 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 31% | 0.305 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -68.1 | 145.7 | 173.8 | -62.3 | -27.5 | 0 | 0 | 0 | 109.6 | K282 A283 L284 S285 | K282-D287 HydrophobicContact CD-CB 4.36Å; K282-D287 WeakPolarHBondContact CE-O 3.34Å; K282-D287 HydrophobicContact CG-CB 3.7Å; K282-D287 PolarHBondContact NZ-O 3.23Å; K282-D287 VanDerWaalsContact NZ-O 3.15Å; A283-D287 PolarHBondContact N-OD2 2.7Å; L284-D287 PolarHBondContact N-OD2 2.04Å; L284-D287 WeakPolarHBondContact O-CB 3.28Å; L284-D287 PolarHBondContact O-N 2.92Å; S285-D287 VanDerWaalsContact C-N 3.29Å; S285-D287 PolarHBondContact O-N 3.34Å |
| 288 | A | 84.4 | Confident | 93.5 | Very high | 92 Ų | 92 | 60 Ų | 60 | 76% | 0.76 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -72.8 | -47 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 289 | T | 93.2 | Very high | 93.5 | Very high | 89 Ų | 89 | 55.9 Ų | 55.9 | 55% | 0.546 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -146.9 | 173.6 | -176.7 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | A291 | T289-A291 PolarHBondContact O-N 3.24Š|
| 290 | C | 95.2 | Very high | 93.6 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 120.6 | 174.6 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | E267 C276 Y281 | E267-C290 HydrophobicContact CB-CB 4.5Å; E267-C290 VanDerWaalsContact CB-SG 3.59Å; E267-C290 HydrophobicContact CG-CB 4.41Å; E267-C290 VanDerWaalsContact CG-SG 3.55Å; E267-C290 VanDerWaalsContact OE2-CB 3.26Å; E267-C290 WeakPolarHBondContact OE2-CB 3.32Å; E267-C290 PolarHBondContact OE2-N 2.91Å; C276-C290 WeakPolarHBondContact CA-SG 3.29Å; C276-C290 HydrophobicContact CB-CB 3.76Å; C276-C290 WeakPolarHBondContact CB-SG 3.27Å; C276-C290 WeakPolarHBondContact SG-CB 3.45Å; C276-C290 CovalentContact SG-SG 2.03Å; C276-C290 PolarHBondContact SG-SG 2.65Å; Y281-C290 CarbonylContact O-C 3.54Å; Y281-C290 WeakPolarHBondContact O-CA 3.44Å |
| 291 | A | 94.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 64.5 Ų | 64.5 | 33% | 0.331 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 142.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y280 Y281 T289 | Y280-A291 CarbonylContact C-O 3.43Å; Y280-A291 WeakPolarHBondContact CA-O 3.49Å; Y280-A291 WeakPolarHBondContact CB-O 3.14Å; Y281-A291 HydrophobicContact CD1-CB 4.35Å; Y281-A291 VanDerWaalsContact CD1-O 3.23Å; Y281-A291 WeakPolarHBondContact CD1-O 3.48Å; Y281-A291 HydrophobicContact CE1-CB 3.64Å; Y281-A291 PolarHBondContact N-O 2.97Å; Y281-A291 PolarHBondContact O-N 3.22Å; T289-A291 PolarHBondContact O-N 3.24Å |
| 292 | K | 95.6 | Very high | 93.4 | Very high | 150 Ų | 150 | 68.3 Ų | 68.3 | 65% | 0.652 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 142.9 | 169.3 | -173 | 177.2 | 176.9 | 179.8 | 0 | 109.2 | Y280 | Y280-K292 VanDerWaalsContact CD1-CA 3.48Å; Y280-K292 HydrophobicContact CD1-CB 3.93Å; Y280-K292 HydrophobicContact CE1-CB 3.71Å; Y280-K292 HydrophobicContact CE1-CG 4.31Å |
| 293 | C | 95.4 | Very high | 93.3 | Very high | 16 Ų | 16 | 69.1 Ų | 69.1 | 11% | 0.108 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 132.5 | 176.4 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | G279 S297 S299 C307 | G279-C293 PolarHBondContact O-N 3.12Å; G279-C293 PolarHBondContact O-SG 2.94Å; G279-C293 VanDerWaalsContact O-SG 3.41Å; C293-S297 VanDerWaalsContact CB-O 3.31Å; C293-S297 WeakPolarHBondContact CB-O 3.48Å; C293-S299 PolarHBondContact SG-N 3.2Å; C293-S299 PolarHBondContact SG-OG 2.89Å; C293-C307 WeakPolarHBondContact CA-SG 3.32Å; C293-C307 HydrophobicContact CB-CB 3.7Å; C293-C307 WeakPolarHBondContact CB-SG 3.41Å; C293-C307 WeakPolarHBondContact SG-CB 3.41Å; C293-C307 CovalentContact SG-SG 2.03Å; C293-C307 PolarHBondContact SG-SG 3.11Å |
| 294 | P | 95.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 68.1 Ų | 68.1 | 10% | 0.104 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 162.2 | 178 | 31.9 | -36.7 | 0 | 0 | 0 | 111 | S297 S322 M323 P324 | P294-S297 WeakPolarHBondContact CD-OG 3.21Å; P294-S297 WeakPolarHBondContact CG-OG 3.35Å; P294-S297 PolarHBondContact O-N 2.88Å; P294-S297 PolarHBondContact O-OG 3.24Å; P294-S322 WeakPolarHBondContact CB-O 3.44Å; P294-M323 WeakPolarHBondContact CG-O 3.46Å; P294-P324 HydrophobicContact CB-CB 4.35Å |
| 295 | P | 94.6 | Very high | 93.5 | Very high | 87 Ų | 87 | 66.7 Ų | 66.7 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | 143.5 | -178.2 | -31.2 | 34.7 | 0 | 0 | 0 | 114.9 | S297 P324 C325 | P295-S297 PolarHBondContact O-N 2.88Å; P295-P324 HydrophobicContact CB-CB 3.97Å; P295-P324 HydrophobicContact CG-CB 4.4Å; P295-P324 VanDerWaalsContact O-CA 3.29Å; P295-P324 WeakPolarHBondContact O-CA 3.23Å; P295-P324 WeakPolarHBondContact O-CB 3.4Å; P295-C325 PolarHBondContact O-N 3.21Å; P295-C325 VanDerWaalsContact O-N 3.08Å |
| 296 | H | 95.3 | Very high | 93.7 | Very high | 87 Ų | 87 | 68.1 Ų | 68.1 | 40% | 0.403 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 26.9 | -176.4 | -51 | -58.8 | 0 | 0 | 0 | 115 | D310 F313 C325 | H296-D310 VanDerWaalsContact CA-OD2 3.24Å; H296-D310 WeakPolarHBondContact CA-OD2 3.39Å; H296-D310 PolarHBondContact O-N 3.33Å; H296-F313 HydrophobicContact CB-CB 4.01Å; H296-F313 HydrophobicContact CB-CD1 3.6Å; H296-F313 HydrophobicContact CB-CD2 4Å; H296-F313 HydrophobicContact CB-CE1 4Å; H296-F313 HydrophobicContact CB-CE2 4.37Å; H296-F313 HydrophobicContact CB-CG 3.61Å; H296-F313 HydrophobicContact CB-CZ 4.37Å; H296-F313 AromaticContact CD2-CD1 3.71Å; H296-F313 AromaticContact CD2-CE1 3.34Å; H296-F313 WeakPolarHBondContact CD2-CE1 3.44Å; H296-F313 AromaticContact CD2-CZ 3.9Å; H296-F313 AromaticContact CE1-CE1 3.83Å; H296-F313 AromaticContact CE1-CZ 3.58Å; H296-F313 AromaticContact CG-CD1 3.54Å; H296-F313 AromaticContact CG-CE1 3.39Å; H296-F313 AromaticContact CG-CG 3.93Å; H296-F313 AromaticContact CG-CZ 3.65Å; H296-F313 AromaticContact ND1-CE1 3.7Å; H296-F313 AromaticContact ND1-CE2 3.74Å; H296-F313 AromaticContact ND1-CZ 3.45Å; H296-F313 WeakPolarHBondContact ND1-CZ 3.4Å; H296-F313 AromaticContact NE2-CE1 3.63Å; H296-F313 AromaticContact NE2-CZ 3.86Å; H296-C325 HydrophobicContact CB-CB 4.22Å; H296-C325 VanDerWaalsContact O-CB 3.31Å; H296-C325 WeakPolarHBondContact O-CB 3.45Å |
| 297 | S | 95.8 | Very high | 94 | Very high | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 153.9 | 172.7 | 73.6 | 0 | 0 | 0 | 0 | 112.4 | C293 P294 P295 C307 T308 R315 | C293-S297 VanDerWaalsContact CB-O 3.31Å; C293-S297 WeakPolarHBondContact CB-O 3.48Å; P294-S297 WeakPolarHBondContact CD-OG 3.21Å; P294-S297 WeakPolarHBondContact CG-OG 3.35Å; P294-S297 PolarHBondContact O-N 2.88Å; P294-S297 PolarHBondContact O-OG 3.24Å; P295-S297 PolarHBondContact O-N 2.88Å; S297-C307 WeakPolarHBondContact OG-CB 3.39Å; S297-T308 CarbonylContact C-O 3.54Å; S297-T308 WeakPolarHBondContact CA-O 3.34Å; S297-T308 WeakPolarHBondContact CB-O 3.1Å; S297-R315 PolarHBondContact OG-NH2 2.8Å |
| 298 | Y | 94.9 | Very high | 94.3 | Very high | 118 Ų | 118 | 65.5 Ų | 65.5 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 147.7 | -176.3 | -163.2 | -104 | 0 | 0 | 0 | 112.5 | I278 V300 C307 T308 | I278-Y298 HydrophobicContact CG2-CE1 4.2Å; Y298-V300 HydrophobicContact CD1-CG1 3.81Å; Y298-V300 HydrophobicContact CE1-CG1 4.15Å; Y298-C307 CarbonylContact O-C 3.55Å; Y298-T308 PolarHBondContact N-O 3.06Å; Y298-T308 PolarHBondContact O-N 3.48Å |
| 299 | S | 95.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | trans | -110.7 | 116.4 | 172.1 | 53.3 | 0 | 0 | 0 | 0 | 109.5 | I278 G279 Y280 C293 | I278-S299 VanDerWaalsContact CG2-O 3.32Å; I278-S299 WeakPolarHBondContact CG2-O 3.47Å; G279-S299 VanDerWaalsContact C-OG 3.32Å; G279-S299 VanDerWaalsContact CA-OG 3.28Å; G279-S299 WeakPolarHBondContact CA-OG 3.35Å; G279-S299 PolarHBondContact N-O 3.08Å; G279-S299 PolarHBondContact N-OG 2.91Å; G279-S299 VanDerWaalsContact N-OG 3.08Å; Y280-S299 PolarHBondContact N-OG 2.77Å; Y280-S299 VanDerWaalsContact N-OG 3.12Å; Y280-S299 WeakPolarHBondContact O-CB 3.48Å; Y280-S299 PolarHBondContact O-OG 2.95Å; C293-S299 PolarHBondContact SG-N 3.2Å; C293-S299 PolarHBondContact SG-OG 2.89Å | ||
| 300 | V | 93.8 | Very high | 94.9 | Very high | 84 Ų | 84 | 62 Ų | 62 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | trans | -87.2 | -10.1 | -176.4 | -62.3 | 0 | 0 | 0 | 0 | 113.9 | Y298 | Y298-V300 HydrophobicContact CD1-CG1 3.81Å; Y298-V300 HydrophobicContact CE1-CG1 4.15Å | ||
| 301 | W | 92.9 | Very high | 94.8 | Very high | 203 Ų | 203 | 73.6 Ų | 73.6 | 77% | 0.769 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -117.5 | 153.4 | -179.4 | -55.7 | 116.8 | 0 | 0 | 0 | 110.5 | ||
| 302 | E | 94.8 | Very high | 94.6 | Very high | 96 Ų | 96 | 73.4 Ų | 73.4 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 157.7 | 160.5 | -63.8 | -158.4 | 157.5 | 0 | 0 | 110.5 | A275 C276 K277 I278 A304 | A275-E302 HydrophobicContact CB-CB 4.26Å; C276-E302 CarbonylContact O-C 3.45Å; C276-E302 WeakPolarHBondContact O-CA 3.42Å; C276-E302 WeakPolarHBondContact O-CB 3.01Å; K277-E302 WeakPolarHBondContact CD-OE1 3.48Å; K277-E302 WeakPolarHBondContact CE-OE1 3.03Å; K277-E302 IonicContact NZ-OE1 2.86Å; K277-E302 PolarHBondContact NZ-OE1 3.29Å; K277-E302 IonicContact NZ-OE2 3.4Å; K277-E302 PolarHBondContact NZ-OE2 3.15Å; I278-E302 HydrophobicContact CG1-CG 3.88Å; E302-A304 VanDerWaalsContact C-N 3.32Å; E302-A304 PolarHBondContact O-N 3.43Å |
| 303 | G | 94.2 | Very high | 94.5 | Very high | 22 Ų | 22 | 68.1 Ų | 68.1 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 13.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G265 C276 T305 | G265-G303 WeakPolarHBondContact CA-O 3.33Å; G265-G303 WeakPolarHBondContact O-CA 3.29Å; C276-G303 PolarHBondContact O-N 3.07Å; G303-T305 PolarHBondContact O-N 3.4Å |
| 304 | A | 95.7 | Very high | 94.5 | Very high | 15 Ų | 15 | 70 Ų | 70 | 12% | 0.124 | 36% | 0.361 | C | S | . | . | trans | -65.7 | 132.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y281 K282 E302 | Y281-A304 CarbonylContact C-O 3.6Å; Y281-A304 WeakPolarHBondContact CA-O 3.15Å; Y281-A304 WeakPolarHBondContact CB-O 3.47Å; K282-A304 PolarHBondContact N-O 3.32Å; E302-A304 VanDerWaalsContact C-N 3.32Å; E302-A304 PolarHBondContact O-N 3.43Å | ||
| 305 | T | 94.2 | Very high | 94.4 | Very high | 72 Ų | 72 | 71.2 Ų | 71.2 | 44% | 0.442 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -89.3 | -15.4 | 173.4 | 59.9 | 0 | 0 | 0 | 0 | 113.2 | A264 K282 A283 G303 | A264-T305 HydrophobicContact CB-CG2 3.71Å; K282-T305 WeakPolarHBondContact O-CA 2.96Å; A283-T305 VanDerWaalsContact CA-O 3.31Å; A283-T305 WeakPolarHBondContact CA-O 3.44Å; G303-T305 PolarHBondContact O-N 3.4Å |
| 306 | S | 93.9 | Very high | 94.3 | Very high | 62 Ų | 62 | 67.8 Ų | 67.8 | 43% | 0.434 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -154.6 | 161.7 | 175.2 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 307 | C | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.007 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -102 | 123.2 | 174.9 | -57 | 0 | 0 | 0 | 0 | 110.3 | Y281 C293 S297 Y298 R315 | Y281-C307 WeakPolarHBondContact CD1-SG 3.27Å; Y281-C307 VanDerWaalsContact CG-SG 3.57Å; C293-C307 WeakPolarHBondContact CA-SG 3.32Å; C293-C307 HydrophobicContact CB-CB 3.7Å; C293-C307 WeakPolarHBondContact CB-SG 3.41Å; C293-C307 WeakPolarHBondContact SG-CB 3.41Å; C293-C307 CovalentContact SG-SG 2.03Å; C293-C307 PolarHBondContact SG-SG 3.11Å; S297-C307 WeakPolarHBondContact OG-CB 3.39Å; Y298-C307 CarbonylContact O-C 3.55Å; C307-R315 PolarHBondContact O-NH1 3.24Å |
| 308 | T | 95.2 | Very high | 93.6 | Very high | 102 Ų | 102 | 76.7 Ų | 76.7 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 138.5 | 175.1 | -53 | 0 | 0 | 0 | 0 | 110 | S297 Y298 | S297-T308 CarbonylContact C-O 3.54Å; S297-T308 WeakPolarHBondContact CA-O 3.34Å; S297-T308 WeakPolarHBondContact CB-O 3.1Å; Y298-T308 PolarHBondContact N-O 3.06Å; Y298-T308 PolarHBondContact O-N 3.48Å |
| 309 | C | 95.1 | Very high | 93.4 | Very high | 38 Ų | 38 | 72.5 Ų | 72.5 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 146 | 177.8 | -63.8 | 0 | 0 | 0 | 0 | 112.6 | F313 C325 | C309-F313 WeakPolarHBondContact CB-O 2.99Å; C309-C325 WeakPolarHBondContact CA-SG 3.43Å; C309-C325 HydrophobicContact CB-CB 3.62Å; C309-C325 WeakPolarHBondContact CB-SG 3.39Å; C309-C325 WeakPolarHBondContact SG-CB 3.47Å; C309-C325 CovalentContact SG-SG 2.03Å; C309-C325 PolarHBondContact SG-SG 3.19Å |
| 310 | D | 94.9 | Very high | 93 | Very high | 71 Ų | 71 | 74.6 Ų | 74.6 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 154.1 | 170.8 | -70.7 | -18.9 | 0 | 0 | 0 | 111.4 | H296 G312 F313 | H296-D310 VanDerWaalsContact CA-OD2 3.24Å; H296-D310 WeakPolarHBondContact CA-OD2 3.39Å; H296-D310 PolarHBondContact O-N 3.33Å; D310-G312 PolarHBondContact O-N 2.96Å; D310-G312 VanDerWaalsContact O-N 3.1Å; D310-F313 HydrophobicContact CB-CD2 4.15Å; D310-F313 PolarHBondContact O-N 3.43Å |
| 311 | R | 93.1 | Very high | 92.7 | Very high | 254 Ų | 254 | 71.9 Ų | 71.9 | 96% | 0.958 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 117.1 | -177.4 | -176.2 | 179.6 | 179.1 | -178.5 | 0.1 | 111.6 | ||
| 312 | G | 90.3 | Very high | 92.6 | Very high | 36 Ų | 36 | 65.7 Ų | 65.7 | 37% | 0.371 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 1.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D310 F314 | D310-G312 PolarHBondContact O-N 2.96Å; D310-G312 VanDerWaalsContact O-N 3.1Å; G312-F314 WeakPolarHBondContact O-CE2 3.43Å |
| 313 | F | 94.9 | Very high | 92.4 | Very high | 39 Ų | 39 | 65.4 Ų | 65.4 | 17% | 0.171 | 37% | 0.369 | C | S | . | . | trans | -115.1 | 152.6 | 171.4 | -63.9 | -98.7 | 0 | 0 | 0 | 110.4 | H296 C309 D310 C325 T326 R327 | H296-F313 HydrophobicContact CB-CB 4.01Å; H296-F313 HydrophobicContact CB-CD1 3.6Å; H296-F313 HydrophobicContact CB-CD2 4Å; H296-F313 HydrophobicContact CB-CE1 4Å; H296-F313 HydrophobicContact CB-CE2 4.37Å; H296-F313 HydrophobicContact CB-CG 3.61Å; H296-F313 HydrophobicContact CB-CZ 4.37Å; H296-F313 AromaticContact CD2-CD1 3.71Å; H296-F313 AromaticContact CD2-CE1 3.34Å; H296-F313 WeakPolarHBondContact CD2-CE1 3.44Å; H296-F313 AromaticContact CD2-CZ 3.9Å; H296-F313 AromaticContact CE1-CE1 3.83Å; H296-F313 AromaticContact CE1-CZ 3.58Å; H296-F313 AromaticContact CG-CD1 3.54Å; H296-F313 AromaticContact CG-CE1 3.39Å; H296-F313 AromaticContact CG-CG 3.93Å; H296-F313 AromaticContact CG-CZ 3.65Å; H296-F313 AromaticContact ND1-CE1 3.7Å; H296-F313 AromaticContact ND1-CE2 3.74Å; H296-F313 AromaticContact ND1-CZ 3.45Å; H296-F313 WeakPolarHBondContact ND1-CZ 3.4Å; H296-F313 AromaticContact NE2-CE1 3.63Å; H296-F313 AromaticContact NE2-CZ 3.86Å; C309-F313 WeakPolarHBondContact CB-O 2.99Å; D310-F313 HydrophobicContact CB-CD2 4.15Å; D310-F313 PolarHBondContact O-N 3.43Å; F313-C325 HydrophobicContact CB-CB 3.67Å; F313-T326 CarbonylContact C-O 3.44Å; F313-T326 WeakPolarHBondContact CA-O 3.49Å; F313-R327 HydrophobicContact CD1-CB 3.88Å; F313-R327 HydrophobicContact CD1-CG 4.27Å; F313-R327 HydrophobicContact CE1-CB 4.01Å; F313-R327 HydrophobicContact CE1-CG 3.92Å; F313-R327 HydrophobicContact CG-CB 4.49Å | ||
| 314 | F | 94.4 | Very high | 92.5 | Very high | 54 Ų | 54 | 66.9 Ų | 66.9 | 24% | 0.237 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -145.7 | 169.9 | -171.1 | -48.9 | -85.6 | 0 | 0 | 0 | 110.7 | G312 C325 T326 V419 Y422 N423 | G312-F314 WeakPolarHBondContact O-CE2 3.43Å; F314-C325 CarbonylContact O-C 3.54Å; F314-C325 WeakPolarHBondContact O-CA 3.48Å; F314-T326 PolarHBondContact N-O 2.94Å; F314-T326 PolarHBondContact O-N 3.09Å; F314-V419 HydrophobicContact CB-CB 4.12Å; F314-V419 HydrophobicContact CB-CG1 4.01Å; F314-Y422 HydrophobicContact CB-CD2 3.62Å; F314-Y422 HydrophobicContact CB-CE2 4.09Å; F314-Y422 HydrophobicContact CB-CG 4.31Å; F314-Y422 HydrophobicContact CD1-CD2 4.2Å; F314-Y422 HydrophobicContact CD1-CG 4.01Å; F314-Y422 HydrophobicContact CD2-CD2 4.48Å; F314-Y422 AromaticContact CG-CD2 3.85Å; F314-Y422 HydrophobicContact CG-CD2 3.85Å; F314-Y422 HydrophobicContact CG-CG 4.1Å; F314-N423 HydrophobicContact CE2-CB 3.95Å; F314-N423 HydrophobicContact CZ-CB 4.04Å |
| 315 | R | 93.4 | Very high | 92.4 | Very high | 43 Ų | 43 | 66.2 Ų | 66.2 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | trans | -118.7 | 144.8 | 164.5 | -75.8 | -173 | -174.2 | 95.2 | 2.2 | 109.1 | S297 C307 D319 A321 M323 C325 Y422 | S297-R315 PolarHBondContact OG-NH2 2.8Å; C307-R315 PolarHBondContact O-NH1 3.24Å; R315-D319 HydrophobicContact CB-CB 4.02Å; R315-D319 HydrophobicContact CG-CB 4.26Å; R315-A321 PolarHBondContact NH2-O 2.9Å; R315-A321 VanDerWaalsContact NH2-O 3.1Å; R315-M323 PolarHBondContact NE-O 3.48Å; R315-M323 PolarHBondContact NH2-O 3.25Å; R315-C325 PolarHBondContact NH1-SG 2.95Å; R315-C325 VanDerWaalsContact NH1-SG 3.38Å; R315-Y422 WeakPolarHBondContact O-CE2 3.44Å; R315-Y422 PolarHBondContact O-OH 2.8Å; R315-Y422 VanDerWaalsContact O-OH 3.11Å | ||
| 316 | A | 92.1 | Very high | 92.5 | Very high | 14 Ų | 14 | 63.1 Ų | 63.1 | 12% | 0.116 | 35% | 0.35 | C | S | . | . | trans | -74.3 | 160.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | N318 D319 V419 | A316-N318 PolarHBondContact O-N 3.32Å; A316-D319 WeakPolarHBondContact CB-OD2 3.41Å; A316-D319 PolarHBondContact N-OD2 3.27Å; A316-D319 WeakPolarHBondContact O-CB 3.45Å; A316-D319 PolarHBondContact O-N 2.99Å; A316-V419 HydrophobicContact CB-CG1 4.48Å | ||
| 317 | D | 88.4 | Confident | 92.5 | Very high | 123 Ų | 123 | 65.1 Ų | 65.1 | 66% | 0.658 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15.6 | -172.5 | -28.8 | -86.8 | 0 | 0 | 0 | 113 | K421 Y422 | D317-K421 VanDerWaalsContact CG-NZ 3.28Å; D317-K421 IonicContact OD1-NZ 3.65Å; D317-K421 PolarHBondContact OD1-NZ 3.07Å; D317-K421 VanDerWaalsContact OD1-NZ 3.13Å; D317-K421 IonicContact OD2-NZ 2.72Å; D317-K421 PolarHBondContact OD2-NZ 3.41Å; D317-Y422 PolarHBondContact OD1-OH 2.92Å |
| 318 | N | 88.5 | Confident | 92.6 | Very high | 160 Ų | 160 | 65.9 Ų | 65.9 | 86% | 0.856 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -1.5 | 175.6 | -63.5 | -7.5 | 0 | 0 | 0 | 113.7 | A316 | A316-N318 PolarHBondContact O-N 3.32Š|
| 319 | D | 90.1 | Very high | 92.6 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 17% | 0.166 | 32% | 0.324 | C | S | . | . | trans | -81.2 | 129.1 | -179.5 | -71.8 | -27.2 | 0 | 0 | 0 | 110.8 | R315 A316 M323 R357 | R315-D319 HydrophobicContact CB-CB 4.02Å; R315-D319 HydrophobicContact CG-CB 4.26Å; A316-D319 WeakPolarHBondContact CB-OD2 3.41Å; A316-D319 PolarHBondContact N-OD2 3.27Å; A316-D319 WeakPolarHBondContact O-CB 3.45Å; A316-D319 PolarHBondContact O-N 2.99Å; D319-M323 HydrophobicContact CB-CB 4.47Å; D319-M323 HydrophobicContact CB-SD 4.13Å; D319-R357 IonicContact OD1-CZ 2.74Å; D319-R357 IonicContact OD1-NH2 3.23Å; D319-R357 PolarHBondContact OD1-NH2 2.9Å; D319-R357 IonicContact OD2-CZ 2.71Å; D319-R357 IonicContact OD2-NE 2.68Å; D319-R357 IonicContact OD2-NH2 3.82Å; D319-R357 PolarHBondContact OD2-NH2 3.34Å | ||
| 320 | A | 88.4 | Confident | 92.6 | Very high | 46 Ų | 46 | 61 Ų | 61 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | trans | -65.2 | 151.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S322 M323 | A320-S322 PolarHBondContact O-N 2.6Å; A320-M323 HydrophobicContact CB-CG 4.34Å; A320-M323 WeakPolarHBondContact O-CB 3.49Å; A320-M323 PolarHBondContact O-N 3.25Å | ||
| 321 | A | 87.8 | Confident | 92.5 | Very high | 28 Ų | 28 | 58.7 Ų | 58.7 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y281 A283 R315 | Y281-A321 HydrophobicContact CE2-CB 4.17Å; A283-A321 HydrophobicContact CB-CB 4.31Å; R315-A321 PolarHBondContact NH2-O 2.9Å; R315-A321 VanDerWaalsContact NH2-O 3.1Å |
| 322 | S | 89.5 | Confident | 92.6 | Very high | 72 Ų | 72 | 46.8 Ų | 46.8 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -15.3 | 174.7 | 56.2 | 0 | 0 | 0 | 0 | 115 | Y281 P294 A320 | Y281-S322 WeakPolarHBondContact OH-CA 3.28Å; Y281-S322 VanDerWaalsContact OH-CB 3.24Å; Y281-S322 WeakPolarHBondContact OH-CB 3.24Å; P294-S322 WeakPolarHBondContact CB-O 3.44Å; A320-S322 PolarHBondContact O-N 2.6Å |
| 323 | M | 92.3 | Very high | 92.5 | Very high | 91 Ų | 91 | 48.3 Ų | 48.3 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -74.9 | 143.3 | 172.1 | -62.7 | -173.1 | 177.2 | 0 | 0 | 110 | P294 R315 D319 A320 | P294-M323 WeakPolarHBondContact CG-O 3.46Å; R315-M323 PolarHBondContact NE-O 3.48Å; R315-M323 PolarHBondContact NH2-O 3.25Å; D319-M323 HydrophobicContact CB-CB 4.47Å; D319-M323 HydrophobicContact CB-SD 4.13Å; A320-M323 HydrophobicContact CB-CG 4.34Å; A320-M323 WeakPolarHBondContact O-CB 3.49Å; A320-M323 PolarHBondContact O-N 3.25Å |
| 324 | P | 94.6 | Very high | 92.3 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 152.6 | 173.5 | 27.9 | -35.3 | 0 | 0 | 0 | 110.5 | P294 P295 | P294-P324 HydrophobicContact CB-CB 4.35Å; P295-P324 HydrophobicContact CB-CB 3.97Å; P295-P324 HydrophobicContact CG-CB 4.4Å; P295-P324 VanDerWaalsContact O-CA 3.29Å; P295-P324 WeakPolarHBondContact O-CA 3.23Å; P295-P324 WeakPolarHBondContact O-CB 3.4Å |
| 325 | C | 95.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 142.7 | 166.5 | -57.8 | 0 | 0 | 0 | 0 | 109.1 | P295 H296 C309 F313 F314 R315 | P295-C325 PolarHBondContact O-N 3.21Å; P295-C325 VanDerWaalsContact O-N 3.08Å; H296-C325 HydrophobicContact CB-CB 4.22Å; H296-C325 VanDerWaalsContact O-CB 3.31Å; H296-C325 WeakPolarHBondContact O-CB 3.45Å; C309-C325 WeakPolarHBondContact CA-SG 3.43Å; C309-C325 HydrophobicContact CB-CB 3.62Å; C309-C325 WeakPolarHBondContact CB-SG 3.39Å; C309-C325 WeakPolarHBondContact SG-CB 3.47Å; C309-C325 CovalentContact SG-SG 2.03Å; C309-C325 PolarHBondContact SG-SG 3.19Å; F313-C325 HydrophobicContact CB-CB 3.67Å; F314-C325 CarbonylContact O-C 3.54Å; F314-C325 WeakPolarHBondContact O-CA 3.48Å; R315-C325 PolarHBondContact NH1-SG 2.95Å; R315-C325 VanDerWaalsContact NH1-SG 3.38Å |
| 326 | T | 95.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -126.1 | 164.7 | -171.5 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | F313 F314 G355 R357 | F313-T326 CarbonylContact C-O 3.44Å; F313-T326 WeakPolarHBondContact CA-O 3.49Å; F314-T326 PolarHBondContact N-O 2.94Å; F314-T326 PolarHBondContact O-N 3.09Å; T326-G355 VanDerWaalsContact CB-O 3.28Å; T326-G355 WeakPolarHBondContact CB-O 3.09Å; T326-R357 HydrophobicContact CG2-CG 3.66Å; T326-R357 VanDerWaalsContact OG1-CD 3.27Å; T326-R357 WeakPolarHBondContact OG1-CD 3.48Å; T326-R357 PolarHBondContact OG1-NE 3.45Å |
| 327 | R | 94.8 | Very high | 91.7 | Very high | 104 Ų | 104 | 55.3 Ų | 55.3 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | trans | -124.7 | 168.8 | -176.1 | 65.5 | 174.5 | -172.5 | 166.7 | 0.7 | 111.3 | F313 N353 G355 N417 V419 | F313-R327 HydrophobicContact CD1-CB 3.88Å; F313-R327 HydrophobicContact CD1-CG 4.27Å; F313-R327 HydrophobicContact CE1-CB 4.01Å; F313-R327 HydrophobicContact CE1-CG 3.92Å; F313-R327 HydrophobicContact CG-CB 4.49Å; R327-N353 PolarHBondContact NE-OD1 3.07Å; R327-N353 PolarHBondContact NH2-ND2 3.21Å; R327-N353 PolarHBondContact NH2-OD1 2.91Å; R327-G355 PolarHBondContact N-O 3.44Å; R327-G355 VanDerWaalsContact N-O 3.09Å; R327-G355 VanDerWaalsContact O-CA 3.23Å; R327-G355 WeakPolarHBondContact O-CA 3.47Å; R327-N417 PolarHBondContact O-ND2 3.36Å; R327-V419 VanDerWaalsContact C-CG2 3.43Å; R327-V419 WeakPolarHBondContact O-CG2 3.26Å | ||
| 328 | P | 95.4 | Very high | 91.6 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 10% | 0.104 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 152.2 | 169 | -20 | 32.2 | 0 | 0 | 0 | 111.3 | N423 Q428 | P328-N423 HydrophobicContact CG-CB 4.29Å; P328-Q428 VanDerWaalsContact CB-CD 3.42Å; P328-Q428 HydrophobicContact CB-CG 4.07Å |
| 329 | P | 95.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 165.3 | 177.8 | 34 | -35.4 | 0 | 0 | 0 | 111.2 | P351 N353 A415 S420 Q428 | P329-P351 HydrophobicContact CB-CB 4.29Å; P329-P351 HydrophobicContact CB-CG 4.24Å; P329-N353 CarbonylContact C-O 3.5Å; P329-N353 VanDerWaalsContact CA-O 3.28Å; P329-N353 WeakPolarHBondContact CA-O 3.44Å; P329-A415 HydrophobicContact CB-CB 4.16Å; P329-A415 HydrophobicContact CG-CB 3.62Å; P329-A415 WeakPolarHBondContact CG-O 3.28Å; P329-S420 WeakPolarHBondContact CD-OG 3.28Å; P329-Q428 WeakPolarHBondContact O-CG 3.29Å |
| 330 | S | 94.9 | Very high | 91 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 169.8 | 164.5 | 70.1 | 0 | 0 | 0 | 0 | 111 | P351 Q352 N353 | S330-P351 VanDerWaalsContact O-CB 3.3Å; S330-P351 WeakPolarHBondContact O-CB 3.4Å; S330-P351 WeakPolarHBondContact O-CG 3.39Å; S330-P351 WeakPolarHBondContact OG-CB 3.26Å; S330-Q352 PolarHBondContact OG-N 2.84Å; S330-N353 PolarHBondContact N-O 2.81Å; S330-N353 PolarHBondContact OG-N 3.2Å |
| 331 | A | 94.1 | Very high | 90.7 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -49 | 147.6 | 165 | 0 | 0 | 0 | 0 | 0 | 112.8 | P351 D427 S429 V430 | A331-P351 WeakPolarHBondContact O-CA 3.05Å; A331-D427 WeakPolarHBondContact CB-O 3.42Å; A331-D427 PolarHBondContact N-O 3.12Å; A331-S429 WeakPolarHBondContact CB-O 3.49Å; A331-V430 HydrophobicContact CB-CB 4.35Å |
| 332 | P | 93.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 152.9 | 164.8 | -20.4 | 29.1 | 0 | 0 | 0 | 112.5 | W348 Y362 I413 A415 V430 | P332-W348 HydrophobicContact CB-CB 4.38Å; P332-W348 HydrophobicContact CB-CG 4.27Å; P332-Y362 HydrophobicContact CG-CD1 4.1Å; P332-Y362 HydrophobicContact CG-CE1 4.14Å; P332-I413 HydrophobicContact CG-CB 4.49Å; P332-I413 HydrophobicContact CG-CG2 3.95Å; P332-A415 HydrophobicContact CG-CB 4.1Å; P332-V430 HydrophobicContact CB-CG1 3.94Å; P332-V430 HydrophobicContact CG-CG1 4.16Å; P332-V430 WeakPolarHBondContact O-CG1 3.41Å |
| 333 | L | 89.7 | Confident | 90.4 | Very high | 69 Ų | 69 | 54 Ų | 54 | 36% | 0.361 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 156.9 | 178.8 | -61.7 | -178.8 | 0 | 0 | 0 | 111.6 | L335 S349 Q352 | L333-L335 PolarHBondContact O-N 2.9Å; L333-S349 VanDerWaalsContact C-OG 3.23Å; L333-S349 WeakPolarHBondContact CB-OG 3.02Å; L333-S349 PolarHBondContact N-O 3.43Å; L333-S349 VanDerWaalsContact N-O 3.12Å; L333-S349 PolarHBondContact O-N 2.94Å; L333-S349 PolarHBondContact O-OG 3.45Å; L333-Q352 HydrophobicContact CD1-CB 4Å |
| 334 | N | 90.3 | Very high | 90.3 | Very high | 120 Ų | 120 | 49.6 Ų | 49.6 | 64% | 0.642 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.3 | 50.9 | 171.1 | -49.1 | -59.4 | 0 | 0 | 0 | 113.6 | I336 S349 | N334-I336 PolarHBondContact O-N 2.91Å; N334-S349 PolarHBondContact ND2-OG 3.47Å |
| 335 | L | 90.7 | Very high | 90.2 | Very high | 30 Ų | 30 | 50 Ų | 50 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 119.8 | 174.4 | 176.2 | 60.2 | 0 | 0 | 0 | 110.5 | L333 W348 I413 V430 V432 | L333-L335 PolarHBondContact O-N 2.9Å; L335-W348 HydrophobicContact CD1-CB 4.32Å; L335-W348 HydrophobicContact CD1-CE3 4.29Å; L335-I413 HydrophobicContact CD1-CD1 3.73Å; L335-I413 HydrophobicContact CD1-CG1 3.99Å; L335-I413 HydrophobicContact CD2-CD1 3.57Å; L335-I413 HydrophobicContact CD2-CG1 4.41Å; L335-I413 HydrophobicContact CG-CD1 4.32Å; L335-V430 HydrophobicContact CB-CG1 4.07Å; L335-V430 HydrophobicContact CB-CG2 4.42Å; L335-V430 HydrophobicContact CD2-CG1 4.03Å; L335-V430 HydrophobicContact CD2-CG2 4.36Å; L335-V432 HydrophobicContact CD2-CB 3.67Å; L335-V432 HydrophobicContact CD2-CG1 3.71Å; L335-V432 HydrophobicContact CG-CB 4.11Å; L335-V432 HydrophobicContact CG-CG1 4.08Å |
| 336 | I | 86.4 | Confident | 90.1 | Very high | 106 Ų | 106 | 50.1 Ų | 50.1 | 54% | 0.544 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.7 | -179.8 | -63.5 | 167.9 | 0 | 0 | 0 | 108.4 | N334 L346 E347 | N334-I336 PolarHBondContact O-N 2.91Å; I336-L346 WeakPolarHBondContact O-CA 3.33Å; I336-E347 PolarHBondContact N-O 2.03Å; I336-E347 PolarHBondContact O-N 2.87Å |
| 337 | S | 89.3 | Confident | 89.9 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 28% | 0.28 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.9 | 174.7 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 338 | N | 86.6 | Confident | 89.9 | Confident | 103 Ų | 103 | 49.2 Ų | 49.2 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.5 | 174.4 | -177.8 | -6.8 | 0 | 0 | 0 | 109.5 | V344 N345 | N338-V344 WeakPolarHBondContact O-CA 3.46Å; N338-N345 HydrophobicContact CB-CB 4.43Å; N338-N345 PolarHBondContact N-O 3.44Å; N338-N345 PolarHBondContact O-N 2.99Å |
| 339 | V | 86.4 | Confident | 89.7 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.3 | -174.7 | -169.1 | 0 | 0 | 0 | 0 | 110 | V344 V434 N437 | V339-V344 HydrophobicContact CG1-CG2 4.49Å; V339-V344 HydrophobicContact CG2-CG2 4.43Å; V339-V434 HydrophobicContact CG2-CG2 3.2Å; V339-N437 WeakPolarHBondContact CG1-ND2 3.36Å; V339-N437 PolarHBondContact O-ND2 2.69Å |
| 340 | N | 80.7 | Confident | 89.6 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 112 | 170.2 | -172.6 | 37.7 | 0 | 0 | 0 | 108.8 | T342 S343 | N340-T342 PolarHBondContact O-N 2.94Å; N340-T342 VanDerWaalsContact O-N 3.11Å; N340-S343 PolarHBondContact N-O 3.36Å; N340-S343 WeakPolarHBondContact O-CA 3.31Å; N340-S343 WeakPolarHBondContact O-CB 3.36Å; N340-S343 PolarHBondContact O-N 3Å; N340-S343 VanDerWaalsContact O-O 3.11Å |
| 341 | E | 80.2 | Confident | 89.6 | Confident | 124 Ų | 124 | 51.4 Ų | 51.4 | 58% | 0.579 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | -113.9 | -175.8 | -61.9 | 176.6 | -161.6 | 0 | 0 | 113.3 | N437 | E341-N437 PolarHBondContact N-ND2 2.78Å; E341-N437 PolarHBondContact O-N 3.45Å; E341-N437 VanDerWaalsContact O-N 3.13Å |
| 342 | T | 83.9 | Confident | 89.5 | Confident | 45 Ų | 45 | 58.4 Ų | 58.4 | 28% | 0.276 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 11.7 | 178 | 50.3 | 0 | 0 | 0 | 0 | 113.7 | N340 L403 A405 | N340-T342 PolarHBondContact O-N 2.94Å; N340-T342 VanDerWaalsContact O-N 3.11Å; T342-L403 VanDerWaalsContact CB-O 3.22Å; T342-L403 WeakPolarHBondContact CB-O 3.39Å; T342-L403 WeakPolarHBondContact CG2-O 3.23Å; T342-L403 VanDerWaalsContact O-CB 3.26Å; T342-L403 WeakPolarHBondContact O-CB 3.19Å; T342-L403 PolarHBondContact O-N 3.06Å; T342-A405 HydrophobicContact CG2-CB 4.33Å |
| 343 | S | 87.6 | Confident | 89.5 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 144.5 | -177.1 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | N340 I400 | N340-S343 PolarHBondContact N-O 3.36Å; N340-S343 WeakPolarHBondContact O-CA 3.31Å; N340-S343 WeakPolarHBondContact O-CB 3.36Å; N340-S343 PolarHBondContact O-N 3Å; N340-S343 VanDerWaalsContact O-O 3.11Å; S343-I400 CarbonylContact C-O 3.48Å; S343-I400 VanDerWaalsContact CA-O 3.23Å; S343-I400 WeakPolarHBondContact CA-O 3.26Å; S343-I400 WeakPolarHBondContact CB-O 2.88Å |
| 344 | V | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 120.6 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | N338 V339 L346 I400 L403 F411 V434 T436 | N338-V344 WeakPolarHBondContact O-CA 3.46Å; V339-V344 HydrophobicContact CG1-CG2 4.49Å; V339-V344 HydrophobicContact CG2-CG2 4.43Å; V344-L346 HydrophobicContact CG1-CD2 3.64Å; V344-L346 HydrophobicContact CG1-CG 4.03Å; V344-I400 PolarHBondContact N-O 3.09Å; V344-I400 VanDerWaalsContact O-CD1 3.32Å; V344-I400 WeakPolarHBondContact O-CD1 3.01Å; V344-I400 PolarHBondContact O-N 3.42Å; V344-L403 HydrophobicContact CB-CD1 3.92Å; V344-L403 HydrophobicContact CG2-CD1 3.55Å; V344-F411 HydrophobicContact CB-CE2 4.33Å; V344-F411 HydrophobicContact CB-CZ 4.49Å; V344-F411 HydrophobicContact CG1-CE2 4.16Å; V344-F411 HydrophobicContact CG2-CE2 4.34Å; V344-V434 HydrophobicContact CG1-CG1 4.31Å; V344-V434 HydrophobicContact CG2-CG1 4.11Å; V344-T436 HydrophobicContact CG2-CG2 4.5Å |
| 345 | N | 91.3 | Very high | 89.6 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.9 | 168.8 | -63.8 | -64.3 | 0 | 0 | 0 | 108.6 | N338 S399 | N338-N345 HydrophobicContact CB-CB 4.43Å; N338-N345 PolarHBondContact N-O 3.44Å; N338-N345 PolarHBondContact O-N 2.99Å; N345-S399 VanDerWaalsContact OD1-CB 3.29Å; N345-S399 WeakPolarHBondContact OD1-CB 3.5Å; N345-S399 PolarHBondContact OD1-OG 2.96Å |
| 346 | L | 92.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.7 | 175.3 | -60.3 | 178.1 | 0 | 0 | 0 | 109.6 | I336 V344 W348 V364 K397 V398 I400 F411 I413 V432 | I336-L346 WeakPolarHBondContact O-CA 3.33Å; V344-L346 HydrophobicContact CG1-CD2 3.64Å; V344-L346 HydrophobicContact CG1-CG 4.03Å; L346-W348 HydrophobicContact CB-CE3 4.31Å; L346-W348 HydrophobicContact CB-CZ3 3.95Å; L346-V364 HydrophobicContact CD1-CG1 4.38Å; L346-K397 VanDerWaalsContact O-CA 3.3Å; L346-K397 WeakPolarHBondContact O-CA 3.38Å; L346-V398 HydrophobicContact CB-CG1 4.04Å; L346-V398 HydrophobicContact CD1-CG1 4.35Å; L346-V398 PolarHBondContact N-O 2.77Å; L346-V398 PolarHBondContact O-N 3.35Å; L346-I400 HydrophobicContact CB-CD1 4.45Å; L346-I400 HydrophobicContact CD1-CD1 3.56Å; L346-I400 HydrophobicContact CG-CD1 3.69Å; L346-F411 HydrophobicContact CD1-CB 3.64Å; L346-F411 HydrophobicContact CD1-CD1 3.93Å; L346-F411 HydrophobicContact CD1-CD2 4.28Å; L346-F411 HydrophobicContact CD1-CG 3.71Å; L346-I413 HydrophobicContact CD1-CD1 4.04Å; L346-V432 HydrophobicContact CD2-CG1 3.99Å |
| 347 | E | 92 | Very high | 89.8 | Confident | 85 Ų | 85 | 53.2 Ų | 53.2 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139.5 | 176.1 | 175.8 | 159.7 | -174.6 | 0 | 0 | 109.5 | I336 T396 K397 | I336-E347 PolarHBondContact N-O 2.03Å; I336-E347 PolarHBondContact O-N 2.87Å; E347-T396 WeakPolarHBondContact CA-O 3.14Å; E347-K397 HydrophobicContact CB-CG 4.32Å; E347-K397 HydrophobicContact CG-CD 4.38Å; E347-K397 HydrophobicContact CG-CG 4.1Å; E347-K397 WeakPolarHBondContact OE1-CE 3.33Å; E347-K397 IonicContact OE1-NZ 2.62Å; E347-K397 PolarHBondContact OE1-NZ 2.99Å; E347-K397 WeakPolarHBondContact OE2-CE 3.06Å; E347-K397 IonicContact OE2-NZ 2.65Å; E347-K397 PolarHBondContact OE2-NZ 3.18Å |
| 348 | W | 94.4 | Very high | 89.9 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 179.9 | 177.4 | 57.9 | 95.7 | 0 | 0 | 0 | 111 | P332 L335 L346 Y362 V364 L393 T396 V398 I413 | P332-W348 HydrophobicContact CB-CB 4.38Å; P332-W348 HydrophobicContact CB-CG 4.27Å; L335-W348 HydrophobicContact CD1-CB 4.32Å; L335-W348 HydrophobicContact CD1-CE3 4.29Å; L346-W348 HydrophobicContact CB-CE3 4.31Å; L346-W348 HydrophobicContact CB-CZ3 3.95Å; W348-Y362 AromaticContact CD1-CE1 3.99Å; W348-Y362 AromaticContact CE2-CG 3.83Å; W348-Y362 HydrophobicContact CZ2-CD2 4.01Å; W348-Y362 AromaticContact CZ2-CG 3.83Å; W348-Y362 HydrophobicContact CZ2-CG 3.83Å; W348-Y362 AromaticContact NE1-CD1 3.31Å; W348-Y362 VanDerWaalsContact NE1-CD1 3.31Å; W348-Y362 AromaticContact NE1-CD2 3.44Å; W348-Y362 AromaticContact NE1-CE1 3.52Å; W348-Y362 AromaticContact NE1-CE2 3.66Å; W348-Y362 AromaticContact NE1-CG 3.27Å; W348-Y362 VanDerWaalsContact NE1-CG 3.27Å; W348-Y362 AromaticContact NE1-CZ 3.7Å; W348-V364 HydrophobicContact CH2-CG2 4.33Å; W348-L393 HydrophobicContact CH2-CD2 4.23Å; W348-T396 VanDerWaalsContact CE2-CA 3.48Å; W348-T396 PolarHBondContact N-O 3.45Å; W348-T396 WeakPolarHBondContact O-CB 3.21Å; W348-T396 PolarHBondContact O-OG1 2.99Å; W348-V398 HydrophobicContact CH2-CB 4.31Å; W348-V398 HydrophobicContact CH2-CG1 4.08Å; W348-V398 HydrophobicContact CZ3-CG1 4.01Å; W348-I413 HydrophobicContact CD2-CG2 3.85Å; W348-I413 HydrophobicContact CE3-CG1 4.14Å; W348-I413 HydrophobicContact CE3-CG2 4.22Å; W348-I413 HydrophobicContact CG-CG2 4.32Å; W348-I413 HydrophobicContact CH2-CG2 4.35Å; W348-I413 HydrophobicContact CZ2-CG2 3.96Å; W348-I413 HydrophobicContact CZ3-CG1 4.25Å; W348-I413 HydrophobicContact CZ3-CG2 4.46Å |
| 349 | S | 92.3 | Very high | 90.3 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 26% | 0.259 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 163.5 | 174.6 | 59.5 | 0 | 0 | 0 | 0 | 111.1 | L333 N334 | L333-S349 VanDerWaalsContact C-OG 3.23Å; L333-S349 WeakPolarHBondContact CB-OG 3.02Å; L333-S349 PolarHBondContact N-O 3.43Å; L333-S349 VanDerWaalsContact N-O 3.12Å; L333-S349 PolarHBondContact O-N 2.94Å; L333-S349 PolarHBondContact O-OG 3.45Å; N334-S349 PolarHBondContact ND2-OG 3.47Å |
| 350 | S | 92.8 | Very high | 90.7 | Very high | 57 Ų | 57 | 58 Ų | 58 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | trans | -54 | 145.3 | -176.8 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 351 | P | 94.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | trans | -45.6 | 143.5 | 164.2 | -32.7 | 38.6 | 0 | 0 | 0 | 113.6 | P329 S330 A331 N353 Y362 A415 | P329-P351 HydrophobicContact CB-CB 4.29Å; P329-P351 HydrophobicContact CB-CG 4.24Å; S330-P351 VanDerWaalsContact O-CB 3.3Å; S330-P351 WeakPolarHBondContact O-CB 3.4Å; S330-P351 WeakPolarHBondContact O-CG 3.39Å; S330-P351 WeakPolarHBondContact OG-CB 3.26Å; A331-P351 WeakPolarHBondContact O-CA 3.05Å; P351-N353 PolarHBondContact O-N 2.92Å; P351-Y362 WeakPolarHBondContact CD-OH 3.41Å; P351-Y362 HydrophobicContact CG-CE1 4.42Å; P351-A415 HydrophobicContact CG-CB 3.55Å | ||
| 352 | Q | 92.4 | Very high | 92.2 | Very high | 170 Ų | 170 | 48.9 Ų | 48.9 | 79% | 0.794 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -62.2 | -34.7 | 173.5 | -160.2 | -173.8 | 19.8 | 0 | 0 | 111.8 | S330 L333 | S330-Q352 PolarHBondContact OG-N 2.84Å; L333-Q352 HydrophobicContact CD1-CB 4Å |
| 353 | N | 93.3 | Very high | 92.7 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 34% | 0.342 | 27% | 0.272 | S | S | . | . | trans | -125.8 | 117.9 | 174.9 | -164.9 | -81.1 | 0 | 0 | 0 | 109.1 | R327 P329 S330 P351 G355 | R327-N353 PolarHBondContact NE-OD1 3.07Å; R327-N353 PolarHBondContact NH2-ND2 3.21Å; R327-N353 PolarHBondContact NH2-OD1 2.91Å; P329-N353 CarbonylContact C-O 3.5Å; P329-N353 VanDerWaalsContact CA-O 3.28Å; P329-N353 WeakPolarHBondContact CA-O 3.44Å; S330-N353 PolarHBondContact N-O 2.81Å; S330-N353 PolarHBondContact OG-N 3.2Å; P351-N353 PolarHBondContact O-N 2.92Å; N353-G355 PolarHBondContact O-N 3.47Å; N353-G355 PolarHBondContact OD1-N 2.85Å; N353-G355 VanDerWaalsContact OD1-N 3.13Å | ||
| 354 | T | 93.2 | Very high | 93.1 | Very high | 48 Ų | 48 | 47.6 Ų | 47.6 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | trans | -79.1 | -0.2 | -178.4 | 66.1 | 0 | 0 | 0 | 0 | 113.7 | G356 R357 I360 N417 | T354-G356 PolarHBondContact O-N 2.92Å; T354-G356 PolarHBondContact OG1-N 3.12Å; T354-R357 WeakPolarHBondContact CB-O 3.32Å; T354-R357 PolarHBondContact OG1-O 2.74Å; T354-I360 HydrophobicContact CG2-CD1 3.51Å; T354-N417 PolarHBondContact O-ND2 3.37Å | ||
| 355 | G | 88.6 | Confident | 93.2 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 2.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T326 R327 N353 | T326-G355 VanDerWaalsContact CB-O 3.28Å; T326-G355 WeakPolarHBondContact CB-O 3.09Å; R327-G355 PolarHBondContact N-O 3.44Å; R327-G355 VanDerWaalsContact N-O 3.09Å; R327-G355 VanDerWaalsContact O-CA 3.23Å; R327-G355 WeakPolarHBondContact O-CA 3.47Å; N353-G355 PolarHBondContact O-N 3.47Å; N353-G355 PolarHBondContact OD1-N 2.85Å; N353-G355 VanDerWaalsContact OD1-N 3.13Å |
| 356 | G | 90.3 | Very high | 93.2 | Very high | 63 Ų | 63 | 47.5 Ų | 47.5 | 65% | 0.649 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | 3.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T354 | T354-G356 PolarHBondContact O-N 2.92Å; T354-G356 PolarHBondContact OG1-N 3.12Å |
| 357 | R | 92.4 | Very high | 93.1 | Very high | 38 Ų | 38 | 50.2 Ų | 50.2 | 14% | 0.143 | 28% | 0.276 | C | S | . | . | trans | -115.8 | 163.2 | -178.2 | -53.4 | -177.2 | 105.9 | -123.1 | 5.9 | 112.3 | D319 T326 T354 D359 | D319-R357 IonicContact OD1-CZ 2.74Å; D319-R357 IonicContact OD1-NH2 3.23Å; D319-R357 PolarHBondContact OD1-NH2 2.9Å; D319-R357 IonicContact OD2-CZ 2.71Å; D319-R357 IonicContact OD2-NE 2.68Å; D319-R357 IonicContact OD2-NH2 3.82Å; D319-R357 PolarHBondContact OD2-NH2 3.34Å; T326-R357 HydrophobicContact CG2-CG 3.66Å; T326-R357 VanDerWaalsContact OG1-CD 3.27Å; T326-R357 WeakPolarHBondContact OG1-CD 3.48Å; T326-R357 PolarHBondContact OG1-NE 3.45Å; T354-R357 WeakPolarHBondContact CB-O 3.32Å; T354-R357 PolarHBondContact OG1-O 2.74Å; R357-D359 WeakPolarHBondContact CB-OD1 3.28Å; R357-D359 IonicContact CZ-OD1 2.7Å; R357-D359 IonicContact NE-OD1 2.84Å; R357-D359 IonicContact NH1-OD1 3.87Å; R357-D359 PolarHBondContact NH1-OD1 2.78Å; R357-D359 IonicContact NH1-OD2 3.56Å; R357-D359 PolarHBondContact NH1-OD2 3.27Å | ||
| 358 | Q | 91.5 | Very high | 92.9 | Very high | 197 Ų | 197 | 50 Ų | 50 | 92% | 0.921 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -108.1 | -9 | 176.1 | -64.1 | -176.8 | 2 | 0 | 0 | 113.2 | I360 | Q358-I360 PolarHBondContact O-N 3.12Š|
| 359 | D | 94.1 | Very high | 92.3 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 31% | 0.31 | 28% | 0.278 | S | S | . | . | trans | -78.1 | 18.7 | -177.7 | 75 | -54.8 | 0 | 0 | 0 | 114 | R357 K394 G418 | R357-D359 WeakPolarHBondContact CB-OD1 3.28Å; R357-D359 IonicContact CZ-OD1 2.7Å; R357-D359 IonicContact NE-OD1 2.84Å; R357-D359 IonicContact NH1-OD1 3.87Å; R357-D359 PolarHBondContact NH1-OD1 2.78Å; R357-D359 IonicContact NH1-OD2 3.56Å; R357-D359 PolarHBondContact NH1-OD2 3.27Å; D359-K394 PolarHBondContact O-NZ 3.17Å; D359-G418 WeakPolarHBondContact OD2-CA 3.27Å; D359-G418 PolarHBondContact OD2-N 3.07Å | ||
| 360 | I | 94.6 | Very high | 91.2 | Very high | 23 Ų | 23 | 50.7 Ų | 50.7 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | trans | -53.1 | 141.4 | -178 | -44.3 | 171.9 | 0 | 0 | 0 | 110.2 | T354 Q358 Y362 K394 V416 | T354-I360 HydrophobicContact CG2-CD1 3.51Å; Q358-I360 PolarHBondContact O-N 3.12Å; I360-Y362 HydrophobicContact CG2-CE1 4.23Å; I360-K394 WeakPolarHBondContact O-CD 3.05Å; I360-K394 PolarHBondContact O-NZ 2.94Å; I360-V416 CarbonylContact C-O 3.58Å; I360-V416 WeakPolarHBondContact CA-O 3.5Å | ||
| 361 | S | 95.9 | Very high | 89.6 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 164.2 | 168.6 | 9.8 | 0 | 0 | 0 | 0 | 109.9 | L393 K394 V416 | S361-L393 CarbonylContact C-O 3.43Å; S361-L393 WeakPolarHBondContact CA-O 3.24Å; S361-L393 WeakPolarHBondContact CB-O 3.16Å; S361-K394 PolarHBondContact OG-NZ 3.3Å; S361-V416 PolarHBondContact N-O 3.1Å; S361-V416 PolarHBondContact O-N 3.28Å |
| 362 | Y | 96.1 | Very high | 87.9 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143 | 177.8 | -50.8 | -78 | 0 | 0 | 0 | 111.7 | P332 W348 P351 I360 G392 L393 T395 T396 I413 W414 A415 | P332-Y362 HydrophobicContact CG-CD1 4.1Å; P332-Y362 HydrophobicContact CG-CE1 4.14Å; W348-Y362 AromaticContact CD1-CE1 3.99Å; W348-Y362 AromaticContact CE2-CG 3.83Å; W348-Y362 HydrophobicContact CZ2-CD2 4.01Å; W348-Y362 AromaticContact CZ2-CG 3.83Å; W348-Y362 HydrophobicContact CZ2-CG 3.83Å; W348-Y362 AromaticContact NE1-CD1 3.31Å; W348-Y362 VanDerWaalsContact NE1-CD1 3.31Å; W348-Y362 AromaticContact NE1-CD2 3.44Å; W348-Y362 AromaticContact NE1-CE1 3.52Å; W348-Y362 AromaticContact NE1-CE2 3.66Å; W348-Y362 AromaticContact NE1-CG 3.27Å; W348-Y362 VanDerWaalsContact NE1-CG 3.27Å; W348-Y362 AromaticContact NE1-CZ 3.7Å; P351-Y362 WeakPolarHBondContact CD-OH 3.41Å; P351-Y362 HydrophobicContact CG-CE1 4.42Å; I360-Y362 HydrophobicContact CG2-CE1 4.23Å; Y362-G392 PolarHBondContact O-N 2.89Å; Y362-G392 VanDerWaalsContact O-N 3.1Å; Y362-L393 WeakPolarHBondContact CD2-O 3.33Å; Y362-L393 PolarHBondContact N-O 2.94Å; Y362-L393 VanDerWaalsContact O-CD1 3.24Å; Y362-L393 WeakPolarHBondContact O-CD1 3.27Å; Y362-L393 PolarHBondContact O-N 2.92Å; Y362-T395 WeakPolarHBondContact CD2-O 3.02Å; Y362-T396 HydrophobicContact CE2-CG2 3.74Å; Y362-I413 HydrophobicContact CD1-CG2 4.39Å; Y362-W414 CarbonylContact C-O 3.56Å; Y362-W414 WeakPolarHBondContact CA-O 3.38Å; Y362-A415 HydrophobicContact CD1-CB 4.21Å; Y362-A415 HydrophobicContact CE1-CB 4.06Å |
| 363 | N | 95.6 | Very high | 86 | Confident | 45 Ų | 45 | 50.5 Ų | 50.5 | 24% | 0.241 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.1 | 172.6 | -68.5 | -10 | 0 | 0 | 0 | 109.2 | N391 G392 W414 | N363-N391 WeakPolarHBondContact CB-OD1 3.39Å; N363-N391 WeakPolarHBondContact OD1-CA 3.4Å; N363-G392 PolarHBondContact OD1-N 2.84Å; N363-W414 HydrophobicContact CB-CB 4.31Å; N363-W414 PolarHBondContact N-O 3.37Å; N363-W414 PolarHBondContact O-N 3.12Å |
| 364 | V | 94.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 112.5 | -173.4 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | L346 W348 Y386 Q390 L393 V398 F411 | L346-V364 HydrophobicContact CD1-CG1 4.38Å; W348-V364 HydrophobicContact CH2-CG2 4.33Å; V364-Y386 HydrophobicContact CG1-CE1 4.31Å; V364-Q390 HydrophobicContact CB-CG 4.47Å; V364-Q390 PolarHBondContact N-O 2.97Å; V364-Q390 VanDerWaalsContact O-CG 3.26Å; V364-Q390 WeakPolarHBondContact O-CG 3.4Å; V364-Q390 PolarHBondContact O-NE2 2.94Å; V364-L393 HydrophobicContact CG2-CD1 4.45Å; V364-V398 HydrophobicContact CG2-CG1 4.14Å; V364-F411 HydrophobicContact CG1-CD1 4.29Å |
| 365 | V | 93.1 | Very high | 82.7 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 32% | 0.321 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.6 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | K367 F411 E412 | V365-K367 HydrophobicContact CG1-CG 4.42Å; V365-F411 WeakPolarHBondContact O-CA 3.48Å; V365-E412 HydrophobicContact CB-CB 4.25Å; V365-E412 PolarHBondContact N-O 2.57Å; V365-E412 PolarHBondContact O-N 3.45Å |
| 366 | C | 92.2 | Very high | 81.7 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.034 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 129.5 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | C380 Y386 F411 | C366-C380 HydrophobicContact CB-CB 3.61Å; C366-C380 WeakPolarHBondContact CB-SG 3.1Å; C366-C380 PolarHBondContact O-N 2.98Å; C366-C380 PolarHBondContact O-SG 3.3Å; C366-C380 VanDerWaalsContact O-SG 3.33Å; C366-C380 WeakPolarHBondContact SG-CB 3.33Å; C366-C380 CovalentContact SG-SG 2.03Å; C366-C380 PolarHBondContact SG-SG 2.97Å; C366-Y386 HydrophobicContact CB-CE1 4.4Å; C366-Y386 WeakPolarHBondContact CB-OH 3.47Å; C366-F411 HydrophobicContact CB-CD1 3.91Å; C366-F411 HydrophobicContact CB-CE1 3.71Å; C366-F411 WeakPolarHBondContact SG-CE1 3.31Å |
| 367 | K | 90.4 | Very high | 81.2 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 27% | 0.265 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.3 | 175 | -60.9 | 177.6 | -174.2 | 173.9 | 0 | 109.7 | V365 C377 R378 C380 Y409 T410 E412 | V365-K367 HydrophobicContact CG1-CG 4.42Å; K367-C377 HydrophobicContact CB-CB 4.2Å; K367-C377 HydrophobicContact CD-CB 4.46Å; K367-R378 CarbonylContact C-O 3.54Å; K367-R378 VanDerWaalsContact CA-O 3.29Å; K367-R378 WeakPolarHBondContact CA-O 2.87Å; K367-C380 PolarHBondContact N-SG 3.38Å; K367-Y409 CarbonylContact O-C 3.6Å; K367-Y409 VanDerWaalsContact O-CA 3.32Å; K367-Y409 WeakPolarHBondContact O-CA 3.42Å; K367-T410 PolarHBondContact N-O 2.84Å; K367-T410 PolarHBondContact O-N 3.5Å; K367-E412 WeakPolarHBondContact CE-OE1 3.35Å; K367-E412 WeakPolarHBondContact CE-OE2 3.38Å; K367-E412 IonicContact NZ-OE1 3.72Å; K367-E412 PolarHBondContact NZ-OE1 2.98Å; K367-E412 IonicContact NZ-OE2 3.66Å; K367-E412 PolarHBondContact NZ-OE2 3.28Å |
| 368 | K | 87.8 | Confident | 80.9 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 35% | 0.352 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122.7 | 167.9 | 175.6 | 166.7 | 172.2 | 151 | 0 | 108.6 | C377 R378 L404 T407 Y409 | K368-C377 WeakPolarHBondContact O-CA 3.29Å; K368-R378 PolarHBondContact N-O 3.41Å; K368-R378 PolarHBondContact O-N 2.93Å; K368-L404 VanDerWaalsContact NZ-CD1 3.27Å; K368-T407 HydrophobicContact CD-CG2 3.68Å; K368-T407 VanDerWaalsContact CE-CG2 3.43Å; K368-T407 HydrophobicContact CG-CG2 3.89Å; K368-T407 PolarHBondContact NZ-OG1 2.94Å; K368-Y409 HydrophobicContact CB-CD1 4.08Å; K368-Y409 HydrophobicContact CB-CE1 3.9Å; K368-Y409 HydrophobicContact CD-CE1 4.4Å; K368-Y409 HydrophobicContact CG-CE1 4.36Å |
| 369 | C | 82.4 | Confident | 80.7 | Confident | 17 Ų | 17 | 64.1 Ų | 64.1 | 12% | 0.115 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 151.9 | -173.6 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | C377 N408 T410 | C369-C377 HydrophobicContact CB-CB 4.19Å; C369-C377 WeakPolarHBondContact CB-SG 3.41Å; C369-C377 WeakPolarHBondContact SG-CB 3.4Å; C369-C377 CovalentContact SG-SG 2.04Å; C369-C377 PolarHBondContact SG-SG 2.92Å; C369-N408 PolarHBondContact N-O 2.89Å; C369-N408 VanDerWaalsContact N-O 3.11Å; C369-T410 PolarHBondContact SG-OG1 2.92Å |
| 370 | G | 69.6 | Low | 80.3 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 42% | 0.423 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 160 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G372 | G370-G372 PolarHBondContact O-N 3.43Å |
| 371 | A | 59.2 | Low | 79.5 | Confident | 96 Ų | 96 | 64 Ų | 64 | 79% | 0.793 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 113.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 372 | G | 57.5 | Low | 78.5 | Confident | 86 Ų | 86 | 69.2 Ų | 69.2 | 89% | 0.887 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | -1.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | G370 | G370-G372 PolarHBondContact O-N 3.43Š|
| 373 | D | 53.8 | Low | 77.5 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 26% | 0.257 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 102.1 | -178.8 | -173.4 | -5.5 | 0 | 0 | 0 | 113 | S375 K376 | D373-S375 VanDerWaalsContact CG-OG 3.28Å; D373-S375 PolarHBondContact O-N 3.48Å; D373-S375 VanDerWaalsContact OD1-CB 3.29Å; D373-S375 WeakPolarHBondContact OD1-CB 3.16Å; D373-S375 PolarHBondContact OD1-N 3.13Å; D373-S375 PolarHBondContact OD1-OG 3.45Å; D373-S375 PolarHBondContact OD2-OG 3.07Å; D373-K376 IonicContact OD2-NZ 3.17Å; D373-K376 PolarHBondContact OD2-NZ 3.02Å |
| 374 | P | 56.8 | Low | 77.2 | Confident | 114 Ų | 114 | 69.8 Ų | 69.8 | 74% | 0.74 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -11.9 | 179.2 | 30.6 | -35 | 0 | 0 | 0 | 113.6 | K376 C377 | P374-K376 VanDerWaalsContact C-N 3.28Å; P374-K376 PolarHBondContact O-N 3.38Å; P374-C377 PolarHBondContact O-SG 3.21Å; P374-C377 VanDerWaalsContact O-SG 3.4Å |
| 375 | S | 60 | Low | 77 | Confident | 94 Ų | 94 | 75.1 Ų | 75.1 | 66% | 0.657 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -15.6 | 178.7 | 73.9 | 0 | 0 | 0 | 0 | 113.6 | D373 | D373-S375 VanDerWaalsContact CG-OG 3.28Å; D373-S375 PolarHBondContact O-N 3.48Å; D373-S375 VanDerWaalsContact OD1-CB 3.29Å; D373-S375 WeakPolarHBondContact OD1-CB 3.16Å; D373-S375 PolarHBondContact OD1-N 3.13Å; D373-S375 PolarHBondContact OD1-OG 3.45Å; D373-S375 PolarHBondContact OD2-OG 3.07Å |
| 376 | K | 68.1 | Low | 77 | Confident | 146 Ų | 146 | 74.3 Ų | 74.3 | 64% | 0.635 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 25.8 | -174.1 | -62.8 | -170.1 | -179.7 | 85.3 | 0 | 114.3 | D373 P374 | D373-K376 IonicContact OD2-NZ 3.17Å; D373-K376 PolarHBondContact OD2-NZ 3.02Å; P374-K376 VanDerWaalsContact C-N 3.28Å; P374-K376 PolarHBondContact O-N 3.38Å |
| 377 | C | 79.8 | Confident | 77 | Confident | 43 Ų | 43 | 78.1 Ų | 78.1 | 29% | 0.291 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 129.5 | 173.2 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | K367 K368 C369 P374 | K367-C377 HydrophobicContact CB-CB 4.2Å; K367-C377 HydrophobicContact CD-CB 4.46Å; K368-C377 WeakPolarHBondContact O-CA 3.29Å; C369-C377 HydrophobicContact CB-CB 4.19Å; C369-C377 WeakPolarHBondContact CB-SG 3.41Å; C369-C377 WeakPolarHBondContact SG-CB 3.4Å; C369-C377 CovalentContact SG-SG 2.04Å; C369-C377 PolarHBondContact SG-SG 2.92Å; P374-C377 PolarHBondContact O-SG 3.21Å; P374-C377 VanDerWaalsContact O-SG 3.4Å |
| 378 | R | 85.8 | Confident | 77.1 | Confident | 194 Ų | 194 | 79.2 Ų | 79.2 | 73% | 0.732 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 150.6 | 173.5 | -67.9 | -175.7 | 179 | -177.8 | -0.4 | 110.4 | K367 K368 | K367-R378 CarbonylContact C-O 3.54Å; K367-R378 VanDerWaalsContact CA-O 3.29Å; K367-R378 WeakPolarHBondContact CA-O 2.87Å; K368-R378 PolarHBondContact N-O 3.41Å; K368-R378 PolarHBondContact O-N 2.93Å |
| 379 | P | 87.3 | Confident | 77.2 | Confident | 110 Ų | 110 | 80 Ų | 80 | 71% | 0.714 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 147.2 | 172.1 | 27.3 | -35.1 | 0 | 0 | 0 | 110.8 | ||
| 380 | C | 84.8 | Confident | 77.7 | Confident | 24 Ų | 24 | 82.5 Ų | 82.5 | 16% | 0.162 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 139.7 | 173.2 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | C366 K367 V384 Y409 | C366-C380 HydrophobicContact CB-CB 3.61Å; C366-C380 WeakPolarHBondContact CB-SG 3.1Å; C366-C380 PolarHBondContact O-N 2.98Å; C366-C380 PolarHBondContact O-SG 3.3Å; C366-C380 VanDerWaalsContact O-SG 3.33Å; C366-C380 WeakPolarHBondContact SG-CB 3.33Å; C366-C380 CovalentContact SG-SG 2.03Å; C366-C380 PolarHBondContact SG-SG 2.97Å; K367-C380 PolarHBondContact N-SG 3.38Å; C380-V384 HydrophobicContact CB-CG2 4.26Å; C380-Y409 VanDerWaalsContact SG-CD1 3.59Å |
| 381 | G | 78.6 | Confident | 78.9 | Confident | 56 Ų | 56 | 84.6 Ų | 84.6 | 58% | 0.577 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 168.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G383 V384 | G381-G383 PolarHBondContact O-N 3.15Å; G381-V384 PolarHBondContact O-N 3.31Å |
| 382 | S | 74.5 | Confident | 80.5 | Confident | 129 Ų | 129 | 81.4 Ų | 81.4 | 90% | 0.902 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 0.9 | -176.2 | 57.2 | 0 | 0 | 0 | 0 | 116.1 | V384 | S382-V384 VanDerWaalsContact C-N 3.33Š|
| 383 | G | 75.9 | Confident | 82.2 | Confident | 50 Ų | 50 | 77.4 Ų | 77.4 | 52% | 0.515 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 8.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G381 D402 | G381-G383 PolarHBondContact O-N 3.15Å; G383-D402 WeakPolarHBondContact O-CB 3.36Å |
| 384 | V | 88.9 | Confident | 84.1 | Confident | 18 Ų | 18 | 81.6 Ų | 81.6 | 11% | 0.109 | 47% | 0.471 | C | S | . | . | trans | -104 | 122.4 | 177.5 | 176 | 0 | 0 | 0 | 0 | 108.9 | C380 G381 S382 Y386 I400 L403 | C380-V384 HydrophobicContact CB-CG2 4.26Å; G381-V384 PolarHBondContact O-N 3.31Å; S382-V384 VanDerWaalsContact C-N 3.33Å; V384-Y386 HydrophobicContact CB-CE2 4.45Å; V384-Y386 HydrophobicContact CG1-CE2 4.01Å; V384-Y386 WeakPolarHBondContact O-CE2 3.17Å; V384-I400 HydrophobicContact CG1-CG2 3.27Å; V384-L403 HydrophobicContact CG1-CD2 3.73Å; V384-L403 HydrophobicContact CG1-CG 4.5Å; V384-L403 HydrophobicContact CG2-CD2 3.97Å | ||
| 385 | H | 90.8 | Very high | 85.8 | Confident | 111 Ų | 111 | 79.6 Ų | 79.6 | 51% | 0.514 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 145.6 | -177.3 | -68.4 | -85.6 | 0 | 0 | 0 | 112 | I400 T401 D402 | H385-I400 WeakPolarHBondContact O-CA 3.36Å; H385-T401 PolarHBondContact N-O 3.45Å; H385-T401 PolarHBondContact O-N 3.28Å; H385-D402 IonicContact CD2-OD2 2.86Å; H385-D402 PolarHBondContact CD2-OD2 2.89Å |
| 386 | Y | 93.3 | Very high | 87.4 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 14% | 0.141 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 113.9 | -177.3 | -57.4 | -100.8 | 0 | 0 | 0 | 109.8 | V364 C366 V384 P388 Q389 Q390 I400 | V364-Y386 HydrophobicContact CG1-CE1 4.31Å; C366-Y386 HydrophobicContact CB-CE1 4.4Å; C366-Y386 WeakPolarHBondContact CB-OH 3.47Å; V384-Y386 HydrophobicContact CB-CE2 4.45Å; V384-Y386 HydrophobicContact CG1-CE2 4.01Å; V384-Y386 WeakPolarHBondContact O-CE2 3.17Å; Y386-P388 CarbonylContact O-C 3.59Å; Y386-Q389 WeakPolarHBondContact O-CA 3.39Å; Y386-Q389 PolarHBondContact O-N 3.3Å; Y386-Q390 HydrophobicContact CD1-CB 4.19Å; Y386-Q390 HydrophobicContact CD1-CG 3.9Å; Y386-Q390 HydrophobicContact CD2-CB 3.91Å; Y386-Q390 HydrophobicContact CD2-CG 4.01Å; Y386-Q390 HydrophobicContact CE1-CG 3.95Å; Y386-Q390 HydrophobicContact CE2-CB 4.44Å; Y386-Q390 HydrophobicContact CE2-CG 4.08Å; Y386-Q390 HydrophobicContact CG-CB 3.79Å; Y386-Q390 HydrophobicContact CG-CG 3.94Å; Y386-I400 HydrophobicContact CD1-CG1 3.65Å; Y386-I400 HydrophobicContact CD1-CG2 4.35Å; Y386-I400 HydrophobicContact CE1-CG1 3.84Å; Y386-I400 HydrophobicContact CE1-CG2 4.17Å |
| 387 | T | 92 | Very high | 88.6 | Confident | 86 Ų | 86 | 75.3 Ų | 75.3 | 53% | 0.528 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.6 | 178.8 | -58.3 | 0 | 0 | 0 | 0 | 109.7 | V398 S399 | T387-V398 WeakPolarHBondContact O-CA 3.44Å; T387-V398 VanDerWaalsContact O-CG2 3.32Å; T387-V398 WeakPolarHBondContact O-CG2 3.46Å; T387-S399 PolarHBondContact N-O 2.84Å; T387-S399 PolarHBondContact O-N 2.88Å |
| 388 | P | 91.2 | Very high | 89.3 | Confident | 84 Ų | 84 | 73.4 Ų | 73.4 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | S | Bend | cis | -81.2 | -25.9 | 6 | 31.6 | -35.4 | 0 | 0 | 0 | 115 | Y386 | Y386-P388 CarbonylContact O-C 3.59Š|
| 389 | Q | 91.9 | Very high | 89.6 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | trans | -162.2 | 171.1 | 179.3 | 61.6 | -164.6 | 59.4 | 0 | 0 | 110.2 | Y386 N391 L393 | Y386-Q389 WeakPolarHBondContact O-CA 3.39Å; Y386-Q389 PolarHBondContact O-N 3.3Å; Q389-N391 PolarHBondContact NE2-O 3.16Å; Q389-L393 HydrophobicContact CG-CD1 4.01Å; Q389-L393 HydrophobicContact CG-CG 3.85Å; Q389-L393 WeakPolarHBondContact O-CD1 3.46Å | ||
| 390 | Q | 92.8 | Very high | 90 | Very high | 71 Ų | 71 | 61 Ų | 61 | 33% | 0.332 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -95.1 | -33.4 | 180 | -170.7 | -174.2 | 3.8 | 0 | 0 | 114.4 | V364 Y386 L393 | V364-Q390 HydrophobicContact CB-CG 4.47Å; V364-Q390 PolarHBondContact N-O 2.97Å; V364-Q390 VanDerWaalsContact O-CG 3.26Å; V364-Q390 WeakPolarHBondContact O-CG 3.4Å; V364-Q390 PolarHBondContact O-NE2 2.94Å; Y386-Q390 HydrophobicContact CD1-CB 4.19Å; Y386-Q390 HydrophobicContact CD1-CG 3.9Å; Y386-Q390 HydrophobicContact CD2-CB 3.91Å; Y386-Q390 HydrophobicContact CD2-CG 4.01Å; Y386-Q390 HydrophobicContact CE1-CG 3.95Å; Y386-Q390 HydrophobicContact CE2-CB 4.44Å; Y386-Q390 HydrophobicContact CE2-CG 4.08Å; Y386-Q390 HydrophobicContact CG-CB 3.79Å; Y386-Q390 HydrophobicContact CG-CG 3.94Å; Q390-L393 VanDerWaalsContact O-CD1 3.29Å; Q390-L393 WeakPolarHBondContact O-CD1 3.35Å |
| 391 | N | 93.8 | Very high | 90.2 | Very high | 84 Ų | 84 | 61.8 Ų | 61.8 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -127.7 | 153 | -174.6 | -66.1 | -68.1 | 0 | 0 | 0 | 110.8 | N363 Q389 L393 | N363-N391 WeakPolarHBondContact CB-OD1 3.39Å; N363-N391 WeakPolarHBondContact OD1-CA 3.4Å; Q389-N391 PolarHBondContact NE2-O 3.16Å; N391-L393 VanDerWaalsContact C-N 3.29Å; N391-L393 PolarHBondContact O-N 3.24Å |
| 392 | G | 92.6 | Very high | 90.7 | Very high | 29 Ų | 29 | 63.5 Ų | 63.5 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 71.2 | 15.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y362 N363 K394 | Y362-G392 PolarHBondContact O-N 2.89Å; Y362-G392 VanDerWaalsContact O-N 3.1Å; N363-G392 PolarHBondContact OD1-N 2.84Å; G392-K394 PolarHBondContact O-N 3.39Å |
| 393 | L | 94.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -60.6 | 131.9 | -175.6 | -69.7 | 79.2 | 0 | 0 | 0 | 110.4 | W348 S361 Y362 V364 Q389 Q390 N391 V398 | W348-L393 HydrophobicContact CH2-CD2 4.23Å; S361-L393 CarbonylContact C-O 3.43Å; S361-L393 WeakPolarHBondContact CA-O 3.24Å; S361-L393 WeakPolarHBondContact CB-O 3.16Å; Y362-L393 WeakPolarHBondContact CD2-O 3.33Å; Y362-L393 PolarHBondContact N-O 2.94Å; Y362-L393 VanDerWaalsContact O-CD1 3.24Å; Y362-L393 WeakPolarHBondContact O-CD1 3.27Å; Y362-L393 PolarHBondContact O-N 2.92Å; V364-L393 HydrophobicContact CG2-CD1 4.45Å; Q389-L393 HydrophobicContact CG-CD1 4.01Å; Q389-L393 HydrophobicContact CG-CG 3.85Å; Q389-L393 WeakPolarHBondContact O-CD1 3.46Å; Q390-L393 VanDerWaalsContact O-CD1 3.29Å; Q390-L393 WeakPolarHBondContact O-CD1 3.35Å; N391-L393 VanDerWaalsContact C-N 3.29Å; N391-L393 PolarHBondContact O-N 3.24Å; L393-V398 HydrophobicContact CD2-CB 3.87Å; L393-V398 HydrophobicContact CD2-CG2 4.16Å |
| 394 | K | 92.6 | Very high | 91.7 | Very high | 136 Ų | 136 | 59.6 Ų | 59.6 | 59% | 0.591 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -91.5 | -16.3 | 167.9 | -59.5 | -52.6 | -172.1 | -170.7 | 0 | 113 | D359 I360 S361 G392 | D359-K394 PolarHBondContact O-NZ 3.17Å; I360-K394 WeakPolarHBondContact O-CD 3.05Å; I360-K394 PolarHBondContact O-NZ 2.94Å; S361-K394 PolarHBondContact OG-NZ 3.3Å; G392-K394 PolarHBondContact O-N 3.39Å |
| 395 | T | 93.3 | Very high | 91.3 | Very high | 72 Ų | 72 | 59.3 Ų | 59.3 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -83.6 | 151.5 | 172.3 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | Y362 K397 | Y362-T395 WeakPolarHBondContact CD2-O 3.02Å; T395-K397 VanDerWaalsContact C-N 3.28Å; T395-K397 PolarHBondContact O-N 3.15Å; T395-K397 PolarHBondContact OG1-O 3.38Å |
| 396 | T | 92.9 | Very high | 90.9 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -94.3 | 28.5 | 173.6 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | E347 W348 Y362 | E347-T396 WeakPolarHBondContact CA-O 3.14Å; W348-T396 VanDerWaalsContact CE2-CA 3.48Å; W348-T396 PolarHBondContact N-O 3.45Å; W348-T396 WeakPolarHBondContact O-CB 3.21Å; W348-T396 PolarHBondContact O-OG1 2.99Å; Y362-T396 HydrophobicContact CE2-CG2 3.74Å |
| 397 | K | 92.4 | Very high | 90.4 | Very high | 108 Ų | 108 | 58 Ų | 58 | 47% | 0.47 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 143.4 | 178.9 | -53.9 | -167.2 | -171.3 | -142.3 | 0 | 110.4 | L346 E347 T395 | L346-K397 VanDerWaalsContact O-CA 3.3Å; L346-K397 WeakPolarHBondContact O-CA 3.38Å; E347-K397 HydrophobicContact CB-CG 4.32Å; E347-K397 HydrophobicContact CG-CD 4.38Å; E347-K397 HydrophobicContact CG-CG 4.1Å; E347-K397 WeakPolarHBondContact OE1-CE 3.33Å; E347-K397 IonicContact OE1-NZ 2.62Å; E347-K397 PolarHBondContact OE1-NZ 2.99Å; E347-K397 WeakPolarHBondContact OE2-CE 3.06Å; E347-K397 IonicContact OE2-NZ 2.65Å; E347-K397 PolarHBondContact OE2-NZ 3.18Å; T395-K397 VanDerWaalsContact C-N 3.28Å; T395-K397 PolarHBondContact O-N 3.15Å; T395-K397 PolarHBondContact OG1-O 3.38Å |
| 398 | V | 94.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 144.3 | 167.4 | 70.1 | 0 | 0 | 0 | 0 | 109.9 | L346 W348 V364 T387 L393 I400 | L346-V398 HydrophobicContact CB-CG1 4.04Å; L346-V398 HydrophobicContact CD1-CG1 4.35Å; L346-V398 PolarHBondContact N-O 2.77Å; L346-V398 PolarHBondContact O-N 3.35Å; W348-V398 HydrophobicContact CH2-CB 4.31Å; W348-V398 HydrophobicContact CH2-CG1 4.08Å; W348-V398 HydrophobicContact CZ3-CG1 4.01Å; V364-V398 HydrophobicContact CG2-CG1 4.14Å; T387-V398 WeakPolarHBondContact O-CA 3.44Å; T387-V398 VanDerWaalsContact O-CG2 3.32Å; T387-V398 WeakPolarHBondContact O-CG2 3.46Å; L393-V398 HydrophobicContact CD2-CB 3.87Å; L393-V398 HydrophobicContact CD2-CG2 4.16Å; V398-I400 HydrophobicContact CG1-CD1 3.7Å; V398-I400 HydrophobicContact CG1-CG1 4.4Å |
| 399 | S | 92.8 | Very high | 90 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.5 | 168.4 | -61.7 | 0 | 0 | 0 | 0 | 108.9 | N345 T387 | N345-S399 VanDerWaalsContact OD1-CB 3.29Å; N345-S399 WeakPolarHBondContact OD1-CB 3.5Å; N345-S399 PolarHBondContact OD1-OG 2.96Å; T387-S399 PolarHBondContact N-O 2.84Å; T387-S399 PolarHBondContact O-N 2.88Å |
| 400 | I | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.3 | 173.3 | -53.6 | 96.3 | 0 | 0 | 0 | 108.4 | S343 V344 L346 V384 H385 Y386 V398 L403 F411 | S343-I400 CarbonylContact C-O 3.48Å; S343-I400 VanDerWaalsContact CA-O 3.23Å; S343-I400 WeakPolarHBondContact CA-O 3.26Å; S343-I400 WeakPolarHBondContact CB-O 2.88Å; V344-I400 PolarHBondContact N-O 3.09Å; V344-I400 VanDerWaalsContact O-CD1 3.32Å; V344-I400 WeakPolarHBondContact O-CD1 3.01Å; V344-I400 PolarHBondContact O-N 3.42Å; L346-I400 HydrophobicContact CB-CD1 4.45Å; L346-I400 HydrophobicContact CD1-CD1 3.56Å; L346-I400 HydrophobicContact CG-CD1 3.69Å; V384-I400 HydrophobicContact CG1-CG2 3.27Å; H385-I400 WeakPolarHBondContact O-CA 3.36Å; Y386-I400 HydrophobicContact CD1-CG1 3.65Å; Y386-I400 HydrophobicContact CD1-CG2 4.35Å; Y386-I400 HydrophobicContact CE1-CG1 3.84Å; Y386-I400 HydrophobicContact CE1-CG2 4.17Å; V398-I400 HydrophobicContact CG1-CD1 3.7Å; V398-I400 HydrophobicContact CG1-CG1 4.4Å; I400-L403 HydrophobicContact CB-CD1 4.35Å; I400-L403 HydrophobicContact CG2-CD1 3.98Å; I400-L403 HydrophobicContact CG2-CD2 3.91Å; I400-L403 HydrophobicContact CG2-CG 4.01Å; I400-F411 HydrophobicContact CB-CE1 4.34Å; I400-F411 HydrophobicContact CB-CZ 4.46Å; I400-F411 HydrophobicContact CD1-CD1 4.32Å; I400-F411 HydrophobicContact CD1-CE1 3.98Å; I400-F411 HydrophobicContact CD1-CZ 4.39Å; I400-F411 HydrophobicContact CG1-CE1 3.89Å; I400-F411 HydrophobicContact CG1-CZ 4.42Å; I400-F411 HydrophobicContact CG2-CE1 4.15Å; I400-F411 HydrophobicContact CG2-CZ 4.31Å |
| 401 | T | 90.3 | Very high | 89.9 | Confident | 40 Ų | 40 | 45.4 Ų | 45.4 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 172.3 | 179.6 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | H385 L403 | H385-T401 PolarHBondContact N-O 3.45Å; H385-T401 PolarHBondContact O-N 3.28Å; T401-L403 PolarHBondContact O-N 3.42Å |
| 402 | D | 87.9 | Confident | 89.9 | Confident | 92 Ų | 92 | 43.2 Ų | 43.2 | 49% | 0.492 | 23% | 0.233 | S | C | . | . | trans | 64.3 | 26.9 | 171.4 | -48.5 | -72.3 | 0 | 0 | 0 | 114.2 | G383 H385 | G383-D402 WeakPolarHBondContact O-CB 3.36Å; H385-D402 IonicContact CD2-OD2 2.86Å; H385-D402 PolarHBondContact CD2-OD2 2.89Å | ||
| 403 | L | 87.1 | Confident | 90 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 147.6 | 172 | -58 | 162.6 | 0 | 0 | 0 | 110.1 | T342 V344 V384 I400 T401 A405 Y409 F411 T436 | T342-L403 VanDerWaalsContact CB-O 3.22Å; T342-L403 WeakPolarHBondContact CB-O 3.39Å; T342-L403 WeakPolarHBondContact CG2-O 3.23Å; T342-L403 VanDerWaalsContact O-CB 3.26Å; T342-L403 WeakPolarHBondContact O-CB 3.19Å; T342-L403 PolarHBondContact O-N 3.06Å; V344-L403 HydrophobicContact CB-CD1 3.92Å; V344-L403 HydrophobicContact CG2-CD1 3.55Å; V384-L403 HydrophobicContact CG1-CD2 3.73Å; V384-L403 HydrophobicContact CG1-CG 4.5Å; V384-L403 HydrophobicContact CG2-CD2 3.97Å; I400-L403 HydrophobicContact CB-CD1 4.35Å; I400-L403 HydrophobicContact CG2-CD1 3.98Å; I400-L403 HydrophobicContact CG2-CD2 3.91Å; I400-L403 HydrophobicContact CG2-CG 4.01Å; T401-L403 PolarHBondContact O-N 3.42Å; L403-A405 PolarHBondContact O-N 3.23Å; L403-Y409 HydrophobicContact CB-CD2 4.43Å; L403-Y409 HydrophobicContact CB-CE2 3.8Å; L403-Y409 HydrophobicContact CD2-CD1 4.06Å; L403-Y409 HydrophobicContact CD2-CD2 4.33Å; L403-Y409 HydrophobicContact CD2-CE1 3.75Å; L403-Y409 HydrophobicContact CD2-CE2 4.06Å; L403-Y409 HydrophobicContact CD2-CG 4.32Å; L403-Y409 HydrophobicContact CG-CE2 4.45Å; L403-F411 HydrophobicContact CD1-CZ 4.01Å; L403-F411 HydrophobicContact CD2-CZ 4.21Å; L403-T436 HydrophobicContact CB-CG2 3.86Å; L403-T436 HydrophobicContact CD1-CG2 4.24Å |
| 404 | L | 84.9 | Confident | 90.1 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 48% | 0.482 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -66 | 136 | 176.7 | -65.2 | 167.1 | 0 | 0 | 0 | 109.8 | K368 T407 Y409 T436 | K368-L404 VanDerWaalsContact NZ-CD1 3.27Å; L404-T407 WeakPolarHBondContact O-CB 3.39Å; L404-Y409 PolarHBondContact N-OH 2.03Å; L404-T436 WeakPolarHBondContact O-CB 3.35Å; L404-T436 PolarHBondContact O-OG1 3.06Å |
| 405 | A | 81.2 | Confident | 90.3 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 155.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T342 L403 T407 T436 A439 N468 | T342-A405 HydrophobicContact CG2-CB 4.33Å; L403-A405 PolarHBondContact O-N 3.23Å; A405-T407 PolarHBondContact O-N 3.27Å; A405-T407 PolarHBondContact O-OG1 2.92Å; A405-T436 VanDerWaalsContact C-OG1 3.28Å; A405-A439 HydrophobicContact CB-CB 3.89Å; A405-N468 HydrophobicContact CB-CB 3.99Å |
| 406 | H | 81.8 | Confident | 90.4 | Very high | 101 Ų | 101 | 36.4 Ų | 36.4 | 47% | 0.468 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43 | 42.6 | 178.5 | -159.6 | 50.7 | 0 | 0 | 0 | 114.8 | T436 N437 | H406-T436 WeakPolarHBondContact CA-O 3.19Å; H406-T436 PolarHBondContact N-OG1 3.3Å; H406-T436 VanDerWaalsContact N-OG1 3.08Å; H406-N437 PolarHBondContact N-O 2.97Å |
| 407 | T | 83.1 | Confident | 90.5 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 11% | 0.11 | 18% | 0.179 | C | C | . | . | trans | -124.9 | 140.3 | -174.7 | -69.2 | 0 | 0 | 0 | 0 | 110.8 | K368 L404 A405 Y409 T435 T436 | K368-T407 HydrophobicContact CD-CG2 3.68Å; K368-T407 VanDerWaalsContact CE-CG2 3.43Å; K368-T407 HydrophobicContact CG-CG2 3.89Å; K368-T407 PolarHBondContact NZ-OG1 2.94Å; L404-T407 WeakPolarHBondContact O-CB 3.39Å; A405-T407 PolarHBondContact O-N 3.27Å; A405-T407 PolarHBondContact O-OG1 2.92Å; T407-Y409 HydrophobicContact CG2-CD2 3.82Å; T407-Y409 HydrophobicContact CG2-CE1 4.49Å; T407-Y409 HydrophobicContact CG2-CE2 3.34Å; T407-Y409 WeakPolarHBondContact O-CD2 3.33Å; T407-T435 WeakPolarHBondContact O-CA 3.38Å; T407-T436 PolarHBondContact N-OG1 3.15Å; T407-T436 PolarHBondContact O-N 3.15Å; T407-T436 VanDerWaalsContact O-N 3.1Å; T407-T436 PolarHBondContact O-OG1 2.81Å | ||
| 408 | N | 86.4 | Confident | 90.5 | Very high | 49 Ų | 49 | 30.6 Ų | 30.6 | 26% | 0.262 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.7 | 173.9 | -66.9 | -0.5 | 0 | 0 | 0 | 111.4 | C369 V434 T435 | C369-N408 PolarHBondContact N-O 2.89Å; C369-N408 VanDerWaalsContact N-O 3.11Å; N408-V434 WeakPolarHBondContact CA-O 3.46Å; N408-T435 WeakPolarHBondContact OD1-CG2 3.45Å; N408-T435 PolarHBondContact OD1-OG1 2.98Å; N408-T435 VanDerWaalsContact OD1-OG1 3.08Å |
| 409 | Y | 88.4 | Confident | 90.4 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138.8 | 174.1 | -71.5 | -85.5 | 0 | 0 | 0 | 110.3 | K367 K368 C380 L403 L404 T407 T433 V434 T436 | K367-Y409 CarbonylContact O-C 3.6Å; K367-Y409 VanDerWaalsContact O-CA 3.32Å; K367-Y409 WeakPolarHBondContact O-CA 3.42Å; K368-Y409 HydrophobicContact CB-CD1 4.08Å; K368-Y409 HydrophobicContact CB-CE1 3.9Å; K368-Y409 HydrophobicContact CD-CE1 4.4Å; K368-Y409 HydrophobicContact CG-CE1 4.36Å; C380-Y409 VanDerWaalsContact SG-CD1 3.59Å; L403-Y409 HydrophobicContact CB-CD2 4.43Å; L403-Y409 HydrophobicContact CB-CE2 3.8Å; L403-Y409 HydrophobicContact CD2-CD1 4.06Å; L403-Y409 HydrophobicContact CD2-CD2 4.33Å; L403-Y409 HydrophobicContact CD2-CE1 3.75Å; L403-Y409 HydrophobicContact CD2-CE2 4.06Å; L403-Y409 HydrophobicContact CD2-CG 4.32Å; L403-Y409 HydrophobicContact CG-CE2 4.45Å; L404-Y409 PolarHBondContact N-OH 2.03Å; T407-Y409 HydrophobicContact CG2-CD2 3.82Å; T407-Y409 HydrophobicContact CG2-CE1 4.49Å; T407-Y409 HydrophobicContact CG2-CE2 3.34Å; T407-Y409 WeakPolarHBondContact O-CD2 3.33Å; Y409-T433 CarbonylContact O-C 3.53Å; Y409-T433 WeakPolarHBondContact O-CA 3.29Å; Y409-V434 PolarHBondContact N-O 3.45Å; Y409-V434 PolarHBondContact O-N 2.85Å; Y409-T436 HydrophobicContact CD2-CG2 4.12Å; Y409-T436 HydrophobicContact CE2-CG2 4.18Å |
| 410 | T | 90.3 | Very high | 90.5 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.3 | 170.5 | -56.7 | 0 | 0 | 0 | 0 | 108.4 | K367 C369 V432 T433 | K367-T410 PolarHBondContact N-O 2.84Å; K367-T410 PolarHBondContact O-N 3.5Å; C369-T410 PolarHBondContact SG-OG1 2.92Å; T410-V432 CarbonylContact C-O 3.56Å; T410-V432 VanDerWaalsContact CA-O 3.32Å; T410-V432 WeakPolarHBondContact CA-O 3.16Å; T410-T433 WeakPolarHBondContact CG2-OG1 3.47Å; T410-T433 PolarHBondContact OG1-OG1 3.21Å |
| 411 | F | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.8 | 177.9 | -65.7 | -87.9 | 0 | 0 | 0 | 109.6 | V344 L346 V364 V365 C366 I400 L403 I413 S431 V432 V434 | V344-F411 HydrophobicContact CB-CE2 4.33Å; V344-F411 HydrophobicContact CB-CZ 4.49Å; V344-F411 HydrophobicContact CG1-CE2 4.16Å; V344-F411 HydrophobicContact CG2-CE2 4.34Å; L346-F411 HydrophobicContact CD1-CB 3.64Å; L346-F411 HydrophobicContact CD1-CD1 3.93Å; L346-F411 HydrophobicContact CD1-CD2 4.28Å; L346-F411 HydrophobicContact CD1-CG 3.71Å; V364-F411 HydrophobicContact CG1-CD1 4.29Å; V365-F411 WeakPolarHBondContact O-CA 3.48Å; C366-F411 HydrophobicContact CB-CD1 3.91Å; C366-F411 HydrophobicContact CB-CE1 3.71Å; C366-F411 WeakPolarHBondContact SG-CE1 3.31Å; I400-F411 HydrophobicContact CB-CE1 4.34Å; I400-F411 HydrophobicContact CB-CZ 4.46Å; I400-F411 HydrophobicContact CD1-CD1 4.32Å; I400-F411 HydrophobicContact CD1-CE1 3.98Å; I400-F411 HydrophobicContact CD1-CZ 4.39Å; I400-F411 HydrophobicContact CG1-CE1 3.89Å; I400-F411 HydrophobicContact CG1-CZ 4.42Å; I400-F411 HydrophobicContact CG2-CE1 4.15Å; I400-F411 HydrophobicContact CG2-CZ 4.31Å; L403-F411 HydrophobicContact CD1-CZ 4.01Å; L403-F411 HydrophobicContact CD2-CZ 4.21Å; F411-I413 HydrophobicContact CB-CD1 4.13Å; F411-S431 CarbonylContact O-C 3.56Å; F411-S431 VanDerWaalsContact O-CA 3.25Å; F411-S431 WeakPolarHBondContact O-CA 3.25Å; F411-V432 HydrophobicContact CB-CG1 4.28Å; F411-V432 PolarHBondContact N-O 3.17Å; F411-V432 PolarHBondContact O-N 3.43Å; F411-V434 HydrophobicContact CD2-CG1 3.87Å; F411-V434 HydrophobicContact CE2-CG1 3.69Å |
| 412 | E | 93.5 | Very high | 90.4 | Very high | 38 Ų | 38 | 36.6 Ų | 36.6 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.3 | 174 | -65.1 | 165.8 | 176.2 | 0 | 0 | 109.2 | V365 K367 V430 | V365-E412 HydrophobicContact CB-CB 4.25Å; V365-E412 PolarHBondContact N-O 2.57Å; V365-E412 PolarHBondContact O-N 3.45Å; K367-E412 WeakPolarHBondContact CE-OE1 3.35Å; K367-E412 WeakPolarHBondContact CE-OE2 3.38Å; K367-E412 IonicContact NZ-OE1 3.72Å; K367-E412 PolarHBondContact NZ-OE1 2.98Å; K367-E412 IonicContact NZ-OE2 3.66Å; K367-E412 PolarHBondContact NZ-OE2 3.28Å; E412-V430 WeakPolarHBondContact CA-O 3.46Å |
| 413 | I | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 111.1 | -179.5 | -60.3 | 61.6 | 0 | 0 | 0 | 106.4 | P332 L335 L346 W348 Y362 F411 S429 V430 | P332-I413 HydrophobicContact CG-CB 4.49Å; P332-I413 HydrophobicContact CG-CG2 3.95Å; L335-I413 HydrophobicContact CD1-CD1 3.73Å; L335-I413 HydrophobicContact CD1-CG1 3.99Å; L335-I413 HydrophobicContact CD2-CD1 3.57Å; L335-I413 HydrophobicContact CD2-CG1 4.41Å; L335-I413 HydrophobicContact CG-CD1 4.32Å; L346-I413 HydrophobicContact CD1-CD1 4.04Å; W348-I413 HydrophobicContact CD2-CG2 3.85Å; W348-I413 HydrophobicContact CE3-CG1 4.14Å; W348-I413 HydrophobicContact CE3-CG2 4.22Å; W348-I413 HydrophobicContact CG-CG2 4.32Å; W348-I413 HydrophobicContact CH2-CG2 4.35Å; W348-I413 HydrophobicContact CZ2-CG2 3.96Å; W348-I413 HydrophobicContact CZ3-CG1 4.25Å; W348-I413 HydrophobicContact CZ3-CG2 4.46Å; Y362-I413 HydrophobicContact CD1-CG2 4.39Å; F411-I413 HydrophobicContact CB-CD1 4.13Å; I413-S429 VanDerWaalsContact O-CA 3.3Å; I413-S429 WeakPolarHBondContact O-CA 3.37Å; I413-V430 PolarHBondContact N-O 2.68Å; I413-V430 PolarHBondContact O-N 3.49Å; I413-V430 VanDerWaalsContact O-N 3.11Å |
| 414 | W | 96.3 | Very high | 90.8 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 23% | 0.231 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.3 | -179.2 | -71 | 68.8 | 0 | 0 | 0 | 110 | Y362 N363 V416 S425 P426 Q428 | Y362-W414 CarbonylContact C-O 3.56Å; Y362-W414 WeakPolarHBondContact CA-O 3.38Å; N363-W414 HydrophobicContact CB-CB 4.31Å; N363-W414 PolarHBondContact N-O 3.37Å; N363-W414 PolarHBondContact O-N 3.12Å; W414-V416 HydrophobicContact CB-CG2 4.32Å; W414-S425 WeakPolarHBondContact CZ3-O 3.33Å; W414-P426 HydrophobicContact CH2-CB 4.26Å; W414-Q428 HydrophobicContact CE3-CB 4.23Å |
| 415 | A | 95.9 | Very high | 91 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 132 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110 | P329 P332 P351 Y362 Q428 | P329-A415 HydrophobicContact CB-CB 4.16Å; P329-A415 HydrophobicContact CG-CB 3.62Å; P329-A415 WeakPolarHBondContact CG-O 3.28Å; P332-A415 HydrophobicContact CG-CB 4.1Å; P351-A415 HydrophobicContact CG-CB 3.55Å; Y362-A415 HydrophobicContact CD1-CB 4.21Å; Y362-A415 HydrophobicContact CE1-CB 4.06Å; A415-Q428 PolarHBondContact N-O 3.08Å |
| 416 | V | 95.8 | Very high | 91.2 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 22% | 0.218 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 131.9 | -172.6 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | I360 S361 W414 | I360-V416 CarbonylContact C-O 3.58Å; I360-V416 WeakPolarHBondContact CA-O 3.5Å; S361-V416 PolarHBondContact N-O 3.1Å; S361-V416 PolarHBondContact O-N 3.28Å; W414-V416 HydrophobicContact CB-CG2 4.32Å |
| 417 | N | 94.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | trans | -124.4 | 175.1 | 168.7 | 71.7 | 17 | 0 | 0 | 0 | 110.3 | R327 T354 V419 S420 | R327-N417 PolarHBondContact O-ND2 3.36Å; T354-N417 PolarHBondContact O-ND2 3.37Å; N417-V419 PolarHBondContact O-N 2.84Å; N417-V419 WeakPolarHBondContact OD1-CG2 3.45Å; N417-V419 PolarHBondContact OD1-N 2.69Å; N417-V419 VanDerWaalsContact OD1-N 3.09Å; N417-S420 PolarHBondContact N-OG 3.4Å; N417-S420 WeakPolarHBondContact O-CB 3.36Å; N417-S420 PolarHBondContact O-N 3.29Å; N417-S420 PolarHBondContact OD1-N 2.83Å; N417-S420 VanDerWaalsContact OD1-N 3.13Å | ||
| 418 | G | 92.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 41 Ų | 41 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -12 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | D359 | D359-G418 WeakPolarHBondContact OD2-CA 3.27Å; D359-G418 PolarHBondContact OD2-N 3.07Å |
| 419 | V | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -9.3 | 174.7 | -63.2 | 0 | 0 | 0 | 0 | 114.2 | F314 A316 R327 N417 K421 Y422 | F314-V419 HydrophobicContact CB-CB 4.12Å; F314-V419 HydrophobicContact CB-CG1 4.01Å; A316-V419 HydrophobicContact CB-CG1 4.48Å; R327-V419 VanDerWaalsContact C-CG2 3.43Å; R327-V419 WeakPolarHBondContact O-CG2 3.26Å; N417-V419 PolarHBondContact O-N 2.84Å; N417-V419 WeakPolarHBondContact OD1-CG2 3.45Å; N417-V419 PolarHBondContact OD1-N 2.69Å; N417-V419 VanDerWaalsContact OD1-N 3.09Å; V419-K421 PolarHBondContact O-N 3.38Å; V419-K421 VanDerWaalsContact O-N 3.08Å; V419-Y422 HydrophobicContact CB-CD2 4.03Å; V419-Y422 HydrophobicContact CB-CE2 4.37Å; V419-Y422 HydrophobicContact CG1-CD2 4.28Å; V419-Y422 HydrophobicContact CG1-CE2 4.16Å; V419-Y422 WeakPolarHBondContact O-CD2 3.17Å; V419-Y422 PolarHBondContact O-N 3.09Å |
| 420 | S | 93.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -53.4 | -28.8 | 172.5 | -75.1 | 0 | 0 | 0 | 0 | 113.1 | P329 N417 Y422 N423 Q428 | P329-S420 WeakPolarHBondContact CD-OG 3.28Å; N417-S420 PolarHBondContact N-OG 3.4Å; N417-S420 WeakPolarHBondContact O-CB 3.36Å; N417-S420 PolarHBondContact O-N 3.29Å; N417-S420 PolarHBondContact OD1-N 2.83Å; N417-S420 VanDerWaalsContact OD1-N 3.13Å; S420-Y422 PolarHBondContact O-N 3.32Å; S420-N423 CarbonylContact O-C 3.54Å; S420-N423 PolarHBondContact O-N 3.1Å; S420-Q428 PolarHBondContact OG-OE1 2.84Å; S420-Q428 VanDerWaalsContact OG-OE1 3.09Å |
| 421 | K | 92.2 | Very high | 92.6 | Very high | 116 Ų | 116 | 44.2 Ų | 44.2 | 50% | 0.504 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -60.9 | -25 | 177.3 | 62.8 | 167.3 | 177.6 | 157.8 | 0 | 114.6 | D317 V419 | D317-K421 VanDerWaalsContact CG-NZ 3.28Å; D317-K421 IonicContact OD1-NZ 3.65Å; D317-K421 PolarHBondContact OD1-NZ 3.07Å; D317-K421 VanDerWaalsContact OD1-NZ 3.13Å; D317-K421 IonicContact OD2-NZ 2.72Å; D317-K421 PolarHBondContact OD2-NZ 3.41Å; V419-K421 PolarHBondContact O-N 3.38Å; V419-K421 VanDerWaalsContact O-N 3.08Å |
| 422 | Y | 92.3 | Very high | 92.5 | Very high | 91 Ų | 91 | 45.5 Ų | 45.5 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -87.4 | -18.4 | -179 | -55.1 | -68.6 | 0 | 0 | 0 | 113.4 | F314 R315 D317 V419 S420 | F314-Y422 HydrophobicContact CB-CD2 3.62Å; F314-Y422 HydrophobicContact CB-CE2 4.09Å; F314-Y422 HydrophobicContact CB-CG 4.31Å; F314-Y422 HydrophobicContact CD1-CD2 4.2Å; F314-Y422 HydrophobicContact CD1-CG 4.01Å; F314-Y422 HydrophobicContact CD2-CD2 4.48Å; F314-Y422 AromaticContact CG-CD2 3.85Å; F314-Y422 HydrophobicContact CG-CD2 3.85Å; F314-Y422 HydrophobicContact CG-CG 4.1Å; R315-Y422 WeakPolarHBondContact O-CE2 3.44Å; R315-Y422 PolarHBondContact O-OH 2.8Å; R315-Y422 VanDerWaalsContact O-OH 3.11Å; D317-Y422 PolarHBondContact OD1-OH 2.92Å; V419-Y422 HydrophobicContact CB-CD2 4.03Å; V419-Y422 HydrophobicContact CB-CE2 4.37Å; V419-Y422 HydrophobicContact CG1-CD2 4.28Å; V419-Y422 HydrophobicContact CG1-CE2 4.16Å; V419-Y422 WeakPolarHBondContact O-CD2 3.17Å; V419-Y422 PolarHBondContact O-N 3.09Å; S420-Y422 PolarHBondContact O-N 3.32Å |
| 423 | N | 92.4 | Very high | 92.3 | Very high | 81 Ų | 81 | 47.9 Ų | 47.9 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -152.8 | 74.2 | 177.8 | -173.6 | 35.1 | 0 | 0 | 0 | 111 | F314 P328 S420 Q428 | F314-N423 HydrophobicContact CE2-CB 3.95Å; F314-N423 HydrophobicContact CZ-CB 4.04Å; P328-N423 HydrophobicContact CG-CB 4.29Å; S420-N423 CarbonylContact O-C 3.54Å; S420-N423 PolarHBondContact O-N 3.1Å; N423-Q428 PolarHBondContact O-NE2 3.12Å |
| 424 | P | 89.4 | Confident | 91.8 | Very high | 96 Ų | 96 | 48.5 Ų | 48.5 | 62% | 0.623 | 28% | 0.277 | S | S | * | . | trans | -74.9 | 125.8 | 175.9 | 30.3 | -33.6 | 0 | 0 | 0 | 110.6 | ||||
| 425 | S | 89.1 | Confident | 91.3 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | trans | -148 | 143.4 | -174.3 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | W414 D427 Q428 | W414-S425 WeakPolarHBondContact CZ3-O 3.33Å; S425-D427 WeakPolarHBondContact CB-OD1 3.31Å; S425-D427 PolarHBondContact O-N 3.48Å; S425-D427 PolarHBondContact OG-OD1 3.18Å; S425-Q428 VanDerWaalsContact O-CB 3.28Å; S425-Q428 WeakPolarHBondContact O-CB 3.23Å; S425-Q428 WeakPolarHBondContact O-CG 3.3Å; S425-Q428 PolarHBondContact O-N 3.18Å; S425-Q428 VanDerWaalsContact O-N 3.11Å | ||
| 426 | P | 86.3 | Confident | 90.7 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 59% | 0.591 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -68.1 | -15 | -170.8 | 26.7 | -35.8 | 0 | 0 | 0 | 115 | W414 Q428 S429 | W414-P426 HydrophobicContact CH2-CB 4.26Å; P426-Q428 PolarHBondContact O-N 3.17Å; P426-S429 PolarHBondContact O-N 2.75Å; P426-S429 PolarHBondContact O-OG 3.43Å |
| 427 | D | 86.9 | Confident | 89.8 | Confident | 105 Ų | 105 | 50.8 Ų | 50.8 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -66.3 | -9.2 | 170.8 | 69.2 | -39.8 | 0 | 0 | 0 | 113.7 | A331 S425 S429 | A331-D427 WeakPolarHBondContact CB-O 3.42Å; A331-D427 PolarHBondContact N-O 3.12Å; S425-D427 WeakPolarHBondContact CB-OD1 3.31Å; S425-D427 PolarHBondContact O-N 3.48Å; S425-D427 PolarHBondContact OG-OD1 3.18Å; D427-S429 PolarHBondContact O-N 2.88Å |
| 428 | Q | 92.3 | Very high | 88.9 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -79.5 | -0.5 | 168.3 | -60.9 | 169.2 | 48.1 | 0 | 0 | 112.3 | P328 P329 W414 A415 S420 N423 S425 P426 | P328-Q428 VanDerWaalsContact CB-CD 3.42Å; P328-Q428 HydrophobicContact CB-CG 4.07Å; P329-Q428 WeakPolarHBondContact O-CG 3.29Å; W414-Q428 HydrophobicContact CE3-CB 4.23Å; A415-Q428 PolarHBondContact N-O 3.08Å; S420-Q428 PolarHBondContact OG-OE1 2.84Å; S420-Q428 VanDerWaalsContact OG-OE1 3.09Å; N423-Q428 PolarHBondContact O-NE2 3.12Å; S425-Q428 VanDerWaalsContact O-CB 3.28Å; S425-Q428 WeakPolarHBondContact O-CB 3.23Å; S425-Q428 WeakPolarHBondContact O-CG 3.3Å; S425-Q428 PolarHBondContact O-N 3.18Å; S425-Q428 VanDerWaalsContact O-N 3.11Å; P426-Q428 PolarHBondContact O-N 3.17Å |
| 429 | S | 94.4 | Very high | 88 | Confident | 25 Ų | 25 | 53 Ų | 53 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 153.9 | -174.4 | 77 | 0 | 0 | 0 | 0 | 113.9 | A331 I413 P426 D427 | A331-S429 WeakPolarHBondContact CB-O 3.49Å; I413-S429 VanDerWaalsContact O-CA 3.3Å; I413-S429 WeakPolarHBondContact O-CA 3.37Å; P426-S429 PolarHBondContact O-N 2.75Å; P426-S429 PolarHBondContact O-OG 3.43Å; D427-S429 PolarHBondContact O-N 2.88Å |
| 430 | V | 93.3 | Very high | 87.2 | Confident | 42 Ų | 42 | 55 Ų | 55 | 26% | 0.255 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.2 | 168.8 | 60 | 0 | 0 | 0 | 0 | 109.1 | A331 P332 L335 E412 I413 | A331-V430 HydrophobicContact CB-CB 4.35Å; P332-V430 HydrophobicContact CB-CG1 3.94Å; P332-V430 HydrophobicContact CG-CG1 4.16Å; P332-V430 WeakPolarHBondContact O-CG1 3.41Å; L335-V430 HydrophobicContact CB-CG1 4.07Å; L335-V430 HydrophobicContact CB-CG2 4.42Å; L335-V430 HydrophobicContact CD2-CG1 4.03Å; L335-V430 HydrophobicContact CD2-CG2 4.36Å; E412-V430 WeakPolarHBondContact CA-O 3.46Å; I413-V430 PolarHBondContact N-O 2.68Å; I413-V430 PolarHBondContact O-N 3.49Å; I413-V430 VanDerWaalsContact O-N 3.11Å |
| 431 | S | 91.6 | Very high | 86.9 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 148.5 | -177.5 | 77.1 | 0 | 0 | 0 | 0 | 112.8 | F411 | F411-S431 CarbonylContact O-C 3.56Å; F411-S431 VanDerWaalsContact O-CA 3.25Å; F411-S431 WeakPolarHBondContact O-CA 3.25Å |
| 432 | V | 90.3 | Very high | 86.5 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139 | 167.8 | 68.4 | 0 | 0 | 0 | 0 | 109.3 | L335 L346 T410 F411 | L335-V432 HydrophobicContact CD2-CB 3.67Å; L335-V432 HydrophobicContact CD2-CG1 3.71Å; L335-V432 HydrophobicContact CG-CB 4.11Å; L335-V432 HydrophobicContact CG-CG1 4.08Å; L346-V432 HydrophobicContact CD2-CG1 3.99Å; T410-V432 CarbonylContact C-O 3.56Å; T410-V432 VanDerWaalsContact CA-O 3.32Å; T410-V432 WeakPolarHBondContact CA-O 3.16Å; F411-V432 HydrophobicContact CB-CG1 4.28Å; F411-V432 PolarHBondContact N-O 3.17Å; F411-V432 PolarHBondContact O-N 3.43Å |
| 433 | T | 89.3 | Confident | 86.3 | Confident | 89 Ų | 89 | 48.6 Ų | 48.6 | 55% | 0.546 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132 | 172.2 | -60.2 | 0 | 0 | 0 | 0 | 109.3 | Y409 T410 | Y409-T433 CarbonylContact O-C 3.53Å; Y409-T433 WeakPolarHBondContact O-CA 3.29Å; T410-T433 WeakPolarHBondContact CG2-OG1 3.47Å; T410-T433 PolarHBondContact OG1-OG1 3.21Å |
| 434 | V | 86.1 | Confident | 86.2 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 146 | -168.6 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | V339 V344 N408 Y409 F411 | V339-V434 HydrophobicContact CG2-CG2 3.2Å; V344-V434 HydrophobicContact CG1-CG1 4.31Å; V344-V434 HydrophobicContact CG2-CG1 4.11Å; N408-V434 WeakPolarHBondContact CA-O 3.46Å; Y409-V434 PolarHBondContact N-O 3.45Å; Y409-V434 PolarHBondContact O-N 2.85Å; F411-V434 HydrophobicContact CD2-CG1 3.87Å; F411-V434 HydrophobicContact CE2-CG1 3.69Å |
| 435 | T | 84.8 | Confident | 86 | Confident | 66 Ų | 66 | 44.2 Ų | 44.2 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.9 | 175.4 | -47.2 | 0 | 0 | 0 | 0 | 108.6 | T407 N408 | T407-T435 WeakPolarHBondContact O-CA 3.38Å; N408-T435 WeakPolarHBondContact OD1-CG2 3.45Å; N408-T435 PolarHBondContact OD1-OG1 2.98Å; N408-T435 VanDerWaalsContact OD1-OG1 3.08Å |
| 436 | T | 83.5 | Confident | 86 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 151.9 | 172.7 | 45.1 | 0 | 0 | 0 | 0 | 111.3 | V344 L403 L404 A405 H406 T407 Y409 | V344-T436 HydrophobicContact CG2-CG2 4.5Å; L403-T436 HydrophobicContact CB-CG2 3.86Å; L403-T436 HydrophobicContact CD1-CG2 4.24Å; L404-T436 WeakPolarHBondContact O-CB 3.35Å; L404-T436 PolarHBondContact O-OG1 3.06Å; A405-T436 VanDerWaalsContact C-OG1 3.28Å; H406-T436 WeakPolarHBondContact CA-O 3.19Å; H406-T436 PolarHBondContact N-OG1 3.3Å; H406-T436 VanDerWaalsContact N-OG1 3.08Å; T407-T436 PolarHBondContact N-OG1 3.15Å; T407-T436 PolarHBondContact O-N 3.15Å; T407-T436 VanDerWaalsContact O-N 3.1Å; T407-T436 PolarHBondContact O-OG1 2.81Å; Y409-T436 HydrophobicContact CD2-CG2 4.12Å; Y409-T436 HydrophobicContact CE2-CG2 4.18Å |
| 437 | N | 76.5 | Confident | 86.2 | Confident | 75 Ų | 75 | 42.6 Ų | 42.6 | 40% | 0.401 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 171.9 | 179.8 | -73.2 | -47.6 | 0 | 0 | 0 | 111.4 | V339 E341 H406 | V339-N437 WeakPolarHBondContact CG1-ND2 3.36Å; V339-N437 PolarHBondContact O-ND2 2.69Å; E341-N437 PolarHBondContact N-ND2 2.78Å; E341-N437 PolarHBondContact O-N 3.45Å; E341-N437 VanDerWaalsContact O-N 3.13Å; H406-N437 PolarHBondContact N-O 2.97Å |
| 438 | Q | 76.2 | Confident | 86.5 | Confident | 55 Ų | 55 | 41.4 Ų | 41.4 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 148.9 | 170 | -57.6 | -169.4 | 15.7 | 0 | 0 | 110.5 | N468 G469 A519 | Q438-N468 CarbonylContact C-O 3.53Å; Q438-N468 WeakPolarHBondContact CA-O 3.35Å; Q438-G469 VanDerWaalsContact CD-CA 3.47Å; Q438-A519 WeakPolarHBondContact O-CB 3.46Å |
| 439 | A | 73.6 | Confident | 86.3 | Confident | 21 Ų | 21 | 43 Ų | 43 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | trans | -126.5 | 175.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A405 N468 T517 | A405-A439 HydrophobicContact CB-CB 3.89Å; A439-N468 HydrophobicContact CB-CB 4.13Å; A439-N468 PolarHBondContact N-O 3.1Å; A439-T517 PolarHBondContact O-OG1 2.92Å | ||
| 440 | A | 77.9 | Confident | 86.1 | Confident | 40 Ų | 40 | 48.1 Ų | 48.1 | 33% | 0.331 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 139.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | N468 | A440-N468 WeakPolarHBondContact O-CB 3.49Å; A440-N468 PolarHBondContact O-ND2 3.4Å |
| 441 | P | 85.7 | Confident | 85.7 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.032 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 159.3 | 177 | 28.7 | -32.1 | 0 | 0 | 0 | 110.9 | P464 R466 A515 T517 G522 | P441-P464 HydrophobicContact CB-CG 3.91Å; P441-R466 WeakPolarHBondContact CA-O 3.45Å; P441-A515 HydrophobicContact CB-CB 4.21Å; P441-A515 HydrophobicContact CG-CB 3.71Å; P441-A515 WeakPolarHBondContact CG-O 3.41Å; P441-T517 HydrophobicContact CB-CG2 4.33Å; P441-T517 HydrophobicContact CG-CG2 4.17Å; P441-G522 WeakPolarHBondContact O-CA 3.48Å |
| 442 | S | 83.6 | Confident | 85.5 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 167.6 | 168 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | P464 D465 R466 | S442-P464 WeakPolarHBondContact O-CB 3.39Å; S442-P464 WeakPolarHBondContact OG-CB 3.47Å; S442-D465 PolarHBondContact OG-N 2.85Å; S442-R466 PolarHBondContact N-O 3.43Å; S442-R466 PolarHBondContact OG-N 3.26Å; S442-R466 VanDerWaalsContact OG-N 3.14Å |
| 443 | S | 88.5 | Confident | 85.2 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 38% | 0.378 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 158.8 | 168.1 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | P464 | S443-P464 WeakPolarHBondContact O-CB 3.44Š|
| 444 | I | 90.4 | Very high | 84.8 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | trans | -92.7 | 112.2 | 178 | -66.3 | 165.4 | 0 | 0 | 0 | 108.3 | L446 V447 W461 L462 P464 Y474 V513 A515 S525 | I444-L446 VanDerWaalsContact C-N 3.28Å; I444-L446 PolarHBondContact O-N 3.17Å; I444-V447 HydrophobicContact CG2-CG2 4.26Å; I444-W461 HydrophobicContact CG2-CB 4.01Å; I444-L462 WeakPolarHBondContact CG2-O 3.29Å; I444-P464 HydrophobicContact CG1-CB 4.27Å; I444-Y474 HydrophobicContact CD1-CD1 3.65Å; I444-Y474 HydrophobicContact CD1-CE1 3.77Å; I444-V513 HydrophobicContact CD1-CB 4.27Å; I444-V513 HydrophobicContact CD1-CG1 3.79Å; I444-A515 HydrophobicContact CD1-CB 4.3Å; I444-S525 VanDerWaalsContact O-CB 3.22Å; I444-S525 WeakPolarHBondContact O-CB 3.26Å | ||
| 445 | A | 84.9 | Confident | 84.7 | Confident | 82 Ų | 82 | 53 Ų | 53 | 68% | 0.678 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -70.6 | -16.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 446 | L | 88.8 | Confident | 84.9 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | trans | -148.5 | 122.1 | -176.2 | -174.1 | 61.3 | 0 | 0 | 0 | 113 | I444 Q448 W461 L462 | I444-L446 VanDerWaalsContact C-N 3.28Å; I444-L446 PolarHBondContact O-N 3.17Å; L446-Q448 HydrophobicContact CD1-CG 4.28Å; L446-Q448 HydrophobicContact CG-CG 4.3Å; L446-W461 WeakPolarHBondContact O-CA 3.17Å; L446-W461 WeakPolarHBondContact O-CB 3.43Å; L446-L462 HydrophobicContact CB-CD1 4.08Å; L446-L462 HydrophobicContact CB-CG 4.3Å; L446-L462 HydrophobicContact CD2-CD1 4.01Å; L446-L462 HydrophobicContact CD2-CG 4.4Å; L446-L462 PolarHBondContact O-N 3.15Å | ||
| 447 | V | 92.3 | Very high | 85.2 | Confident | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.8 | 172.1 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | I444 W461 V513 S525 L528 | I444-V447 HydrophobicContact CG2-CG2 4.26Å; V447-W461 HydrophobicContact CB-CB 4.41Å; V447-W461 HydrophobicContact CG1-CB 4.44Å; V447-W461 HydrophobicContact CG1-CE3 4.48Å; V447-W461 HydrophobicContact CG2-CB 4.06Å; V447-V513 HydrophobicContact CB-CG2 4.39Å; V447-V513 HydrophobicContact CG1-CG2 3.7Å; V447-V513 HydrophobicContact CG2-CB 3.96Å; V447-V513 HydrophobicContact CG2-CG2 3.71Å; V447-S525 WeakPolarHBondContact CG2-OG 3.34Å; V447-L528 HydrophobicContact CB-CD2 4.38Å; V447-L528 HydrophobicContact CG1-CD2 3.88Å |
| 448 | Q | 91.8 | Very high | 86 | Confident | 80 Ų | 80 | 47.3 Ų | 47.3 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 139.4 | -177.4 | -63.4 | -177 | -11.1 | 0 | 0 | 111.5 | L446 L459 A460 | L446-Q448 HydrophobicContact CD1-CG 4.28Å; L446-Q448 HydrophobicContact CG-CG 4.3Å; Q448-L459 CarbonylContact O-C 3.51Å; Q448-L459 WeakPolarHBondContact O-CA 3.38Å; Q448-A460 PolarHBondContact N-O 3.07Å; Q448-A460 PolarHBondContact O-N 2.86Å |
| 449 | A | 89.3 | Confident | 86.9 | Confident | 38 Ų | 38 | 44.8 Ų | 44.8 | 31% | 0.314 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 137.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V457 A458 L459 V530 | A449-V457 HydrophobicContact CB-CG1 4.31Å; A449-A458 CarbonylContact C-O 3.55Å; A449-A458 WeakPolarHBondContact CA-O 3.31Å; A449-L459 HydrophobicContact CB-CD2 4.42Å; A449-V530 HydrophobicContact CB-CG1 4.2Å; A449-V530 HydrophobicContact CB-CG2 3.96Å |
| 450 | K | 89.6 | Confident | 87.8 | Confident | 134 Ų | 134 | 44.9 Ų | 44.9 | 58% | 0.583 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | -37.1 | -179.6 | -65.1 | -55.1 | -166.4 | -175.5 | 0 | 112.8 | A458 A460 | K450-A458 PolarHBondContact N-O 2.97Å; K450-A460 HydrophobicContact CG-CB 3.87Å |
| 451 | E | 85.1 | Confident | 88.6 | Confident | 127 Ų | 127 | 43.7 Ų | 43.7 | 59% | 0.593 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.6 | 174.6 | -172.1 | 174.5 | -178 | 0 | 0 | 108.8 | A458 | E451-A458 HydrophobicContact CB-CB 3.99Å; E451-A458 PolarHBondContact O-N 2.84Å |
| 452 | V | 86.4 | Confident | 88.9 | Confident | 35 Ų | 35 | 48.3 Ų | 48.3 | 21% | 0.212 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.9 | 177.4 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | V457 V530 T531 N533 | V452-V457 HydrophobicContact CG1-CG2 4.22Å; V452-V457 HydrophobicContact CG2-CG2 4.35Å; V452-V530 HydrophobicContact CG2-CG1 3.65Å; V452-T531 WeakPolarHBondContact CG1-O 3.37Å; V452-N533 HydrophobicContact CG1-CB 4.41Å; V452-N533 PolarHBondContact O-ND2 2.83Å |
| 453 | T | 84.1 | Confident | 89.2 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | trans | -122.3 | -175.5 | 173.7 | 77.2 | 0 | 0 | 0 | 0 | 110.3 | Y455 S456 N533 V535 S537 | T453-Y455 VanDerWaalsContact C-N 3.29Å; T453-Y455 PolarHBondContact OG1-N 3.15Å; T453-S456 PolarHBondContact N-O 3.13Å; T453-S456 PolarHBondContact OG1-N 2.94Å; T453-S456 PolarHBondContact OG1-OG 3.38Å; T453-N533 WeakPolarHBondContact CA-OD1 3.29Å; T453-N533 PolarHBondContact O-N 3.11Å; T453-N533 PolarHBondContact O-OD1 2.89Å; T453-V535 WeakPolarHBondContact CB-O 3.37Å; T453-S537 PolarHBondContact OG1-OG 2.82Å | ||
| 454 | R | 82.1 | Confident | 89.1 | Confident | 82 Ų | 82 | 49.1 Ų | 49.1 | 31% | 0.309 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -72.1 | -22.9 | 176.4 | 81.9 | 174.1 | 62.5 | 171.9 | -5.1 | 113.4 | P505 N533 T534 V535 | R454-P505 HydrophobicContact CB-CB 4.26Å; R454-P505 WeakPolarHBondContact O-CA 3.46Å; R454-P505 WeakPolarHBondContact O-CB 3.31Å; R454-N533 VanDerWaalsContact CA-O 3.22Å; R454-N533 WeakPolarHBondContact CA-O 3.34Å; R454-N533 WeakPolarHBondContact CB-O 3.5Å; R454-N533 PolarHBondContact N-OD1 2.89Å; R454-T534 VanDerWaalsContact CZ-O 3.23Å; R454-T534 PolarHBondContact NE-O 2.92Å; R454-T534 PolarHBondContact NH2-O 3.47Å; R454-V535 VanDerWaalsContact CB-O 3.31Å; R454-V535 WeakPolarHBondContact CB-O 3.16Å; R454-V535 WeakPolarHBondContact CG-O 3.1Å; R454-V535 PolarHBondContact N-O 2.94Å |
| 455 | Y | 84.3 | Confident | 88.8 | Confident | 91 Ų | 91 | 55.5 Ų | 55.5 | 36% | 0.357 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -128.1 | 9.1 | -179.8 | -49.8 | -49.7 | 0 | 0 | 0 | 113.5 | T453 K501 G502 L503 P505 | T453-Y455 VanDerWaalsContact C-N 3.29Å; T453-Y455 PolarHBondContact OG1-N 3.15Å; Y455-K501 CarbonylContact O-C 3.49Å; Y455-K501 WeakPolarHBondContact O-CA 3.32Å; Y455-G502 PolarHBondContact O-N 3.07Å; Y455-L503 WeakPolarHBondContact CA-O 3.37Å; Y455-L503 PolarHBondContact O-N 2.9Å; Y455-L503 VanDerWaalsContact O-N 3.07Å; Y455-P505 HydrophobicContact CE1-CB 4.37Å; Y455-P505 HydrophobicContact CE1-CG 4.2Å |
| 456 | S | 87.6 | Confident | 88.5 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 159.9 | 176.7 | 83.6 | 0 | 0 | 0 | 0 | 115.9 | T453 D499 I500 | T453-S456 PolarHBondContact N-O 3.13Å; T453-S456 PolarHBondContact OG1-N 2.94Å; T453-S456 PolarHBondContact OG1-OG 3.38Å; S456-D499 VanDerWaalsContact CB-OD1 3.23Å; S456-D499 WeakPolarHBondContact CB-OD1 3.31Å; S456-D499 PolarHBondContact OG-OD1 3.27Å; S456-I500 CarbonylContact C-O 3.55Å; S456-I500 WeakPolarHBondContact CA-O 3.46Å; S456-I500 VanDerWaalsContact CB-O 3.23Å; S456-I500 WeakPolarHBondContact CB-O 3.41Å |
| 457 | V | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 120.5 | 170.7 | 173.1 | 0 | 0 | 0 | 0 | 108.8 | A449 V452 L459 I500 L503 F511 V530 T532 | A449-V457 HydrophobicContact CB-CG1 4.31Å; V452-V457 HydrophobicContact CG1-CG2 4.22Å; V452-V457 HydrophobicContact CG2-CG2 4.35Å; V457-L459 HydrophobicContact CG1-CD2 3.82Å; V457-L459 HydrophobicContact CG1-CG 4.19Å; V457-I500 PolarHBondContact N-O 2.9Å; V457-I500 PolarHBondContact O-N 3.22Å; V457-L503 HydrophobicContact CB-CD1 4.04Å; V457-L503 HydrophobicContact CG2-CD1 3.68Å; V457-F511 HydrophobicContact CB-CZ 3.98Å; V457-F511 HydrophobicContact CG1-CE2 4.3Å; V457-F511 HydrophobicContact CG1-CZ 4.15Å; V457-F511 HydrophobicContact CG2-CE2 4.47Å; V457-F511 HydrophobicContact CG2-CZ 4.11Å; V457-V530 HydrophobicContact CG1-CB 4.33Å; V457-V530 HydrophobicContact CG1-CG1 4.1Å; V457-V530 HydrophobicContact CG1-CG2 4.28Å; V457-V530 HydrophobicContact CG2-CB 4.39Å; V457-V530 HydrophobicContact CG2-CG1 4.04Å; V457-T532 HydrophobicContact CG2-CG2 4.25Å |
| 458 | A | 92 | Very high | 87.3 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 128 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A449 K450 E451 T498 D499 | A449-A458 CarbonylContact C-O 3.55Å; A449-A458 WeakPolarHBondContact CA-O 3.31Å; K450-A458 PolarHBondContact N-O 2.97Å; E451-A458 HydrophobicContact CB-CB 3.99Å; E451-A458 PolarHBondContact O-N 2.84Å; A458-T498 CarbonylContact C-O 3.57Å; A458-T498 WeakPolarHBondContact CA-O 3.23Å; A458-D499 HydrophobicContact CB-CB 4.34Å |
| 459 | L | 94.9 | Very high | 86.7 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 148.1 | -175.2 | -63.5 | 174.2 | 0 | 0 | 0 | 111.1 | Q448 A449 V457 W461 V476 N497 T498 I500 F511 L528 | Q448-L459 CarbonylContact O-C 3.51Å; Q448-L459 WeakPolarHBondContact O-CA 3.38Å; A449-L459 HydrophobicContact CB-CD2 4.42Å; V457-L459 HydrophobicContact CG1-CD2 3.82Å; V457-L459 HydrophobicContact CG1-CG 4.19Å; L459-W461 HydrophobicContact CB-CE3 4.21Å; L459-W461 HydrophobicContact CB-CZ3 3.85Å; L459-V476 HydrophobicContact CD1-CG1 3.79Å; L459-N497 CarbonylContact O-C 3.59Å; L459-N497 WeakPolarHBondContact O-CA 3.21Å; L459-N497 WeakPolarHBondContact O-CB 3.47Å; L459-T498 PolarHBondContact N-O 2.86Å; L459-T498 PolarHBondContact O-N 2.95Å; L459-I500 HydrophobicContact CD1-CG1 4.02Å; L459-F511 HydrophobicContact CD1-CB 4.11Å; L459-F511 HydrophobicContact CD1-CD1 3.6Å; L459-F511 HydrophobicContact CD1-CE1 4.25Å; L459-F511 HydrophobicContact CD1-CG 3.97Å; L459-F511 HydrophobicContact CD2-CG 4.44Å; L459-L528 HydrophobicContact CD2-CD2 3.8Å |
| 460 | A | 94.1 | Very high | 86.4 | Confident | 22 Ų | 22 | 58 Ų | 58 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q448 K450 R496 N497 | Q448-A460 PolarHBondContact N-O 3.07Å; Q448-A460 PolarHBondContact O-N 2.86Å; K450-A460 HydrophobicContact CG-CB 3.87Å; A460-R496 WeakPolarHBondContact CA-O 3.31Å; A460-N497 HydrophobicContact CB-CB 4Å |
| 461 | W | 94.5 | Very high | 86.1 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 167.3 | -172.7 | 51.5 | 88.5 | 0 | 0 | 0 | 112.9 | I444 L446 V447 L459 Y474 V476 T493 A495 R496 T498 V513 | I444-W461 HydrophobicContact CG2-CB 4.01Å; L446-W461 WeakPolarHBondContact O-CA 3.17Å; L446-W461 WeakPolarHBondContact O-CB 3.43Å; V447-W461 HydrophobicContact CB-CB 4.41Å; V447-W461 HydrophobicContact CG1-CB 4.44Å; V447-W461 HydrophobicContact CG1-CE3 4.48Å; V447-W461 HydrophobicContact CG2-CB 4.06Å; L459-W461 HydrophobicContact CB-CE3 4.21Å; L459-W461 HydrophobicContact CB-CZ3 3.85Å; W461-Y474 AromaticContact CD1-CD1 3.79Å; W461-Y474 AromaticContact CD1-CE1 3.81Å; W461-Y474 AromaticContact CE2-CG 3.99Å; W461-Y474 HydrophobicContact CZ2-CG 4.05Å; W461-Y474 AromaticContact NE1-CD1 3.07Å; W461-Y474 AromaticContact NE1-CD2 3.9Å; W461-Y474 AromaticContact NE1-CE1 3.44Å; W461-Y474 AromaticContact NE1-CG 3.32Å; W461-Y474 VanDerWaalsContact NE1-CG 3.32Å; W461-V476 HydrophobicContact CH2-CG2 3.59Å; W461-V476 HydrophobicContact CZ2-CG2 4.38Å; W461-V476 HydrophobicContact CZ3-CG2 3.84Å; W461-T493 HydrophobicContact CH2-CG2 3.74Å; W461-T493 HydrophobicContact CZ2-CG2 3.68Å; W461-A495 WeakPolarHBondContact CZ2-O 3.35Å; W461-R496 PolarHBondContact N-O 2.79Å; W461-R496 VanDerWaalsContact N-O 3.11Å; W461-T498 HydrophobicContact CH2-CG2 3.97Å; W461-T498 HydrophobicContact CZ3-CG2 4.12Å; W461-V513 HydrophobicContact CD2-CB 4.47Å; W461-V513 HydrophobicContact CD2-CG1 3.76Å; W461-V513 HydrophobicContact CD2-CG2 4.21Å; W461-V513 HydrophobicContact CE3-CG1 4.19Å; W461-V513 HydrophobicContact CE3-CG2 3.9Å; W461-V513 HydrophobicContact CG-CG1 4.1Å; W461-V513 HydrophobicContact CH2-CG1 4.43Å; W461-V513 HydrophobicContact CZ2-CG1 4.05Å; W461-V513 HydrophobicContact CZ3-CG1 4.49Å; W461-V513 HydrophobicContact CZ3-CG2 4.25Å |
| 462 | L | 91.6 | Very high | 86 | Confident | 102 Ų | 102 | 51.2 Ų | 51.2 | 53% | 0.534 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 165.9 | 173.7 | -66.3 | -177.4 | 0 | 0 | 0 | 112.3 | I444 L446 | I444-L462 WeakPolarHBondContact CG2-O 3.29Å; L446-L462 HydrophobicContact CB-CD1 4.08Å; L446-L462 HydrophobicContact CB-CG 4.3Å; L446-L462 HydrophobicContact CD2-CD1 4.01Å; L446-L462 HydrophobicContact CD2-CG 4.4Å; L446-L462 PolarHBondContact O-N 3.15Å |
| 463 | E | 89 | Confident | 86.1 | Confident | 90 Ų | 90 | 51 Ų | 51 | 42% | 0.421 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 142.7 | 167.3 | -159.8 | 162.2 | 141.7 | 0 | 0 | 109.4 | I471 R496 | E463-I471 HydrophobicContact CG-CD1 3.66Å; E463-R496 IonicContact OE2-CZ 3.67Å; E463-R496 IonicContact OE2-NH1 3.71Å; E463-R496 PolarHBondContact OE2-NH1 3.38Å |
| 464 | P | 88.1 | Confident | 86.5 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.019 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 138.9 | -179.9 | 26 | -35.1 | 0 | 0 | 0 | 112.5 | P441 S442 S443 I444 R466 P467 I471 A515 | P441-P464 HydrophobicContact CB-CG 3.91Å; S442-P464 WeakPolarHBondContact O-CB 3.39Å; S442-P464 WeakPolarHBondContact OG-CB 3.47Å; S443-P464 WeakPolarHBondContact O-CB 3.44Å; I444-P464 HydrophobicContact CG1-CB 4.27Å; P464-R466 PolarHBondContact O-N 2.79Å; P464-P467 VanDerWaalsContact O-CD 3.23Å; P464-P467 WeakPolarHBondContact O-CD 3.16Å; P464-P467 WeakPolarHBondContact O-CG 3.42Å; P464-I471 HydrophobicContact CG-CD1 3.8Å; P464-A515 HydrophobicContact CG-CB 4.09Å |
| 465 | D | 83.3 | Confident | 87.1 | Confident | 137 Ų | 137 | 47.4 Ų | 47.4 | 73% | 0.733 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -51 | -31 | -176 | -64.4 | -21.2 | 0 | 0 | 0 | 114.5 | S442 | S442-D465 PolarHBondContact OG-N 2.85Š|
| 466 | R | 79.5 | Confident | 87.5 | Confident | 160 Ų | 160 | 43.1 Ų | 43.1 | 60% | 0.604 | 23% | 0.225 | S | C | * | . | trans | -124.9 | 91.6 | 172.8 | -68.9 | 176.8 | -69.2 | -175 | 0.2 | 108.7 | P441 S442 P464 N468 | P441-R466 WeakPolarHBondContact CA-O 3.45Å; S442-R466 PolarHBondContact N-O 3.43Å; S442-R466 PolarHBondContact OG-N 3.26Å; S442-R466 VanDerWaalsContact OG-N 3.14Å; P464-R466 PolarHBondContact O-N 2.79Å; R466-N468 PolarHBondContact O-N 3.35Å | ||
| 467 | P | 77.4 | Confident | 87.7 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 25% | 0.253 | 23% | 0.229 | S | C | . | . | trans | -61.9 | -25.4 | 176.4 | -25.3 | 36.1 | 0 | 0 | 0 | 113 | P464 G469 I471 T517 | P464-P467 VanDerWaalsContact O-CD 3.23Å; P464-P467 WeakPolarHBondContact O-CD 3.16Å; P464-P467 WeakPolarHBondContact O-CG 3.42Å; P467-G469 PolarHBondContact O-N 3.43Å; P467-I471 HydrophobicContact CB-CD1 4.15Å; P467-I471 HydrophobicContact CB-CG1 4.31Å; P467-T517 VanDerWaalsContact O-CG2 3.25Å; P467-T517 WeakPolarHBondContact O-CG2 2.86Å | ||
| 468 | N | 77.6 | Confident | 87.7 | Confident | 45 Ų | 45 | 44.6 Ų | 44.6 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | trans | 53.9 | 11.8 | 178.6 | -68.4 | -23.3 | 0 | 0 | 0 | 115.6 | A405 Q438 A439 A440 R466 | A405-N468 HydrophobicContact CB-CB 3.99Å; Q438-N468 CarbonylContact C-O 3.53Å; Q438-N468 WeakPolarHBondContact CA-O 3.35Å; A439-N468 HydrophobicContact CB-CB 4.13Å; A439-N468 PolarHBondContact N-O 3.1Å; A440-N468 WeakPolarHBondContact O-CB 3.49Å; A440-N468 PolarHBondContact O-ND2 3.4Å; R466-N468 PolarHBondContact O-N 3.35Å | ||
| 469 | G | 78.3 | Confident | 87.6 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 12% | 0.124 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 163.7 | -164.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111 | Q438 P467 | Q438-G469 VanDerWaalsContact CD-CA 3.47Å; P467-G469 PolarHBondContact O-N 3.43Å |
| 470 | V | 82.7 | Confident | 87.2 | Confident | 86 Ų | 86 | 46.9 Ų | 46.9 | 52% | 0.521 | 24% | 0.237 | S | C | . | . | trans | -89.7 | 120.5 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | L472 T517 | V470-L472 PolarHBondContact O-N 3.19Å; V470-T517 WeakPolarHBondContact O-CA 3.44Å | ||
| 471 | I | 83.9 | Confident | 86.6 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 17% | 0.174 | 25% | 0.246 | C | C | . | . | trans | -71.8 | 120.2 | 175.9 | -60.4 | 171.3 | 0 | 0 | 0 | 108.4 | E463 P464 P467 E473 Y474 A515 T517 | E463-I471 HydrophobicContact CG-CD1 3.66Å; P464-I471 HydrophobicContact CG-CD1 3.8Å; P467-I471 HydrophobicContact CB-CD1 4.15Å; P467-I471 HydrophobicContact CB-CG1 4.31Å; I471-E473 WeakPolarHBondContact CG2-O 3.43Å; I471-Y474 HydrophobicContact CG2-CD2 4.4Å; I471-Y474 HydrophobicContact CG2-CE1 4.41Å; I471-Y474 HydrophobicContact CG2-CE2 3.85Å; I471-A515 HydrophobicContact CD1-CB 4.27Å; I471-A515 HydrophobicContact CG1-CB 4.47Å; I471-A515 HydrophobicContact CG2-CB 4.07Å; I471-T517 HydrophobicContact CG1-CG2 4.42Å | ||
| 472 | L | 84.2 | Confident | 85.7 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 45% | 0.445 | 28% | 0.282 | S | S | . | . | trans | -85.4 | -38.5 | -179.3 | -55.1 | -179.5 | 0 | 0 | 0 | 111.4 | V470 R516 A518 | V470-L472 PolarHBondContact O-N 3.19Å; L472-R516 PolarHBondContact N-O 3.45Å; L472-A518 HydrophobicContact CD1-CB 4.46Å | ||
| 473 | E | 88.1 | Confident | 84.4 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 171.6 | -177.1 | 62.8 | -177.9 | -138.8 | 0 | 0 | 111.3 | I471 R492 R516 | I471-E473 WeakPolarHBondContact CG2-O 3.43Å; E473-R492 IonicContact OE1-CZ 3.71Å; E473-R492 IonicContact OE1-NE 2.66Å; E473-R492 PolarHBondContact OE1-NE 3.41Å; E473-R492 IonicContact OE1-NH2 2.7Å; E473-R492 PolarHBondContact OE1-NH2 2.91Å; E473-R492 IonicContact OE2-NH2 3.67Å; E473-R516 HydrophobicContact CG-CB 3.85Å; E473-R516 HydrophobicContact CG-CG 4.48Å; E473-R516 PolarHBondContact O-N 3.23Å; E473-R516 IonicContact OE1-CZ 3.85Å; E473-R516 IonicContact OE1-NE 2.68Å; E473-R516 PolarHBondContact OE1-NE 2.98Å; E473-R516 IonicContact OE1-NH2 3.98Å; E473-R516 PolarHBondContact OE1-NH2 2.84Å; E473-R516 IonicContact OE2-CZ 3.71Å; E473-R516 IonicContact OE2-NE 3.81Å; E473-R516 IonicContact OE2-NH2 2.78Å; E473-R516 PolarHBondContact OE2-NH2 3.08Å |
| 474 | Y | 92 | Very high | 83.2 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 151.4 | 169.8 | -63.4 | -92.6 | 0 | 0 | 0 | 110.2 | I444 W461 I471 R492 T493 R496 V513 R514 A515 | I444-Y474 HydrophobicContact CD1-CD1 3.65Å; I444-Y474 HydrophobicContact CD1-CE1 3.77Å; W461-Y474 AromaticContact CD1-CD1 3.79Å; W461-Y474 AromaticContact CD1-CE1 3.81Å; W461-Y474 AromaticContact CE2-CG 3.99Å; W461-Y474 HydrophobicContact CZ2-CG 4.05Å; W461-Y474 AromaticContact NE1-CD1 3.07Å; W461-Y474 AromaticContact NE1-CD2 3.9Å; W461-Y474 AromaticContact NE1-CE1 3.44Å; W461-Y474 AromaticContact NE1-CG 3.32Å; W461-Y474 VanDerWaalsContact NE1-CG 3.32Å; I471-Y474 HydrophobicContact CG2-CD2 4.4Å; I471-Y474 HydrophobicContact CG2-CE1 4.41Å; I471-Y474 HydrophobicContact CG2-CE2 3.85Å; Y474-R492 WeakPolarHBondContact O-CA 3.24Å; Y474-T493 PolarHBondContact N-O 2.81Å; Y474-T493 PolarHBondContact O-N 2.99Å; Y474-R496 HydrophobicContact CD2-CG 4.49Å; Y474-R496 HydrophobicContact CE2-CG 3.68Å; Y474-V513 HydrophobicContact CD1-CG1 4.48Å; Y474-R514 CarbonylContact C-O 3.48Å; Y474-R514 VanDerWaalsContact CA-O 3.32Å; Y474-R514 WeakPolarHBondContact CA-O 3.32Å; Y474-A515 HydrophobicContact CD1-CB 3.89Å; Y474-A515 HydrophobicContact CE1-CB 3.77Å |
| 475 | E | 94.1 | Very high | 82.1 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 126.2 | 178.5 | -174.7 | 175.1 | 91.1 | 0 | 0 | 110.5 | I490 V491 R492 V513 R514 Y521 | E475-I490 HydrophobicContact CG-CG2 3.5Å; E475-V491 WeakPolarHBondContact CA-O 3.24Å; E475-R492 HydrophobicContact CB-CG 4.18Å; E475-R492 HydrophobicContact CG-CG 3.89Å; E475-R492 IonicContact OE2-CZ 2.69Å; E475-R492 IonicContact OE2-NE 2.65Å; E475-V513 WeakPolarHBondContact O-CA 3.2Å; E475-R514 HydrophobicContact CB-CG 4.1Å; E475-R514 PolarHBondContact N-O 2.81Å; E475-R514 PolarHBondContact O-N 3.43Å; E475-R514 IonicContact OE1-CZ 3.93Å; E475-R514 VanDerWaalsContact OE1-CZ 3.23Å; E475-R514 IonicContact OE1-NE 2.89Å; E475-R514 PolarHBondContact OE1-NE 3.43Å; E475-R514 IonicContact OE1-NH2 3.66Å; E475-R514 PolarHBondContact OE1-NH2 2.78Å; E475-Y521 HydrophobicContact CB-CD1 4.49Å; E475-Y521 HydrophobicContact CB-CE1 3.87Å; E475-Y521 VanDerWaalsContact CD-CE1 3.48Å; E475-Y521 HydrophobicContact CG-CE1 4.33Å; E475-Y521 VanDerWaalsContact OE2-CE1 3.3Å; E475-Y521 WeakPolarHBondContact OE2-CE1 3.42Å; E475-Y521 VanDerWaalsContact OE2-CZ 3.27Å; E475-Y521 PolarHBondContact OE2-OH 3.21Å |
| 476 | V | 92.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.4 | 178.1 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | L459 W461 I490 V491 T498 I500 F511 H512 V513 | L459-V476 HydrophobicContact CD1-CG1 3.79Å; W461-V476 HydrophobicContact CH2-CG2 3.59Å; W461-V476 HydrophobicContact CZ2-CG2 4.38Å; W461-V476 HydrophobicContact CZ3-CG2 3.84Å; V476-I490 CarbonylContact O-C 3.54Å; V476-I490 WeakPolarHBondContact O-CA 3.4Å; V476-V491 PolarHBondContact N-O 2.66Å; V476-V491 PolarHBondContact O-N 2.03Å; V476-T498 HydrophobicContact CG2-CG2 3.87Å; V476-I500 HydrophobicContact CB-CD1 4.49Å; V476-I500 HydrophobicContact CG1-CD1 4.22Å; V476-F511 HydrophobicContact CG1-CD1 4.43Å; V476-H512 CarbonylContact C-O 3.43Å; V476-H512 VanDerWaalsContact CA-O 3.3Å; V476-H512 WeakPolarHBondContact CA-O 3.48Å; V476-V513 HydrophobicContact CG1-CG2 4.34Å; V476-V513 HydrophobicContact CG2-CG1 4.3Å; V476-V513 HydrophobicContact CG2-CG2 4.1Å |
| 477 | K | 92.1 | Very high | 80.7 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.8 | 170.1 | -179.7 | -172.8 | -173.8 | -173.5 | 0 | 108.9 | E485 Y488 R489 I490 F511 H512 F524 | K477-E485 IonicContact NZ-OE1 3.47Å; K477-E485 PolarHBondContact NZ-OE1 2.87Å; K477-Y488 HydrophobicContact CD-CD2 4.42Å; K477-Y488 HydrophobicContact CG-CD2 4.05Å; K477-Y488 HydrophobicContact CG-CG 4.35Å; K477-R489 WeakPolarHBondContact CA-O 3.45Å; K477-I490 HydrophobicContact CB-CD1 3.77Å; K477-I490 HydrophobicContact CG-CD1 3.87Å; K477-F511 CarbonylContact O-C 3.53Å; K477-F511 WeakPolarHBondContact O-CA 3.46Å; K477-H512 HydrophobicContact CB-CB 4.49Å; K477-H512 PolarHBondContact N-O 3.37Å; K477-H512 PolarHBondContact O-N 3.38Å; K477-F524 HydrophobicContact CB-CD1 4.42Å; K477-F524 HydrophobicContact CB-CE1 3.6Å; K477-F524 HydrophobicContact CB-CZ 3.78Å; K477-F524 HydrophobicContact CD-CE1 4.47Å; K477-F524 HydrophobicContact CD-CE2 4.21Å; K477-F524 HydrophobicContact CD-CZ 4.01Å; K477-F524 HydrophobicContact CG-CZ 4.48Å |
| 478 | Y | 91.9 | Very high | 80.9 | Confident | 11 Ų | 11 | 67.8 Ų | 67.8 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 152 | 175.1 | 77 | -89 | 0 | 0 | 0 | 114 | Y488 R489 V491 I500 L503 Y509 V510 F511 | Y478-Y488 CarbonylContact O-C 3.48Å; Y478-Y488 WeakPolarHBondContact O-CA 3.29Å; Y478-R489 HydrophobicContact CD1-CB 4.02Å; Y478-R489 HydrophobicContact CD2-CB 4.49Å; Y478-R489 HydrophobicContact CE1-CB 3.55Å; Y478-R489 HydrophobicContact CE2-CB 4.06Å; Y478-R489 HydrophobicContact CE2-CG 4.38Å; Y478-R489 HydrophobicContact CG-CB 4.47Å; Y478-R489 VanDerWaalsContact CZ-CD 3.44Å; Y478-R489 PolarHBondContact N-O 3.34Å; Y478-R489 PolarHBondContact O-N 2.92Å; Y478-R489 WeakPolarHBondContact OH-CD 3.21Å; Y478-R489 PolarHBondContact OH-NH1 2.82Å; Y478-V491 HydrophobicContact CE1-CG2 4.16Å; Y478-I500 HydrophobicContact CD1-CD1 4.38Å; Y478-I500 HydrophobicContact CD1-CG2 3.81Å; Y478-I500 HydrophobicContact CD2-CG2 4.29Å; Y478-I500 HydrophobicContact CE1-CD1 4.36Å; Y478-I500 HydrophobicContact CE1-CG2 3.32Å; Y478-I500 HydrophobicContact CE2-CG2 3.88Å; Y478-I500 HydrophobicContact CG-CG2 4.26Å; Y478-L503 HydrophobicContact CD2-CD2 4.04Å; Y478-L503 HydrophobicContact CE2-CD2 3.36Å; Y478-Y509 AromaticContact CD2-CD1 3.89Å; Y478-Y509 HydrophobicContact CD2-CD1 3.89Å; Y478-Y509 HydrophobicContact CD2-CE1 4.32Å; Y478-Y509 HydrophobicContact CE2-CD1 4.31Å; Y478-Y509 HydrophobicContact CE2-CE1 4.29Å; Y478-V510 WeakPolarHBondContact CA-O 3.31Å; Y478-V510 WeakPolarHBondContact CB-O 3.35Å; Y478-F511 HydrophobicContact CD2-CE1 4.18Å; Y478-F511 HydrophobicContact CG-CD1 4.08Å; Y478-F511 AromaticContact CG-CE1 3.89Å; Y478-F511 HydrophobicContact CG-CE1 3.89Å |
| 479 | Y | 88.8 | Confident | 81.4 | Confident | 35 Ų | 35 | 71 Ų | 71 | 14% | 0.137 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 160.9 | 179.8 | 54.9 | -88.5 | 0 | 0 | 0 | 111.7 | E485 Y509 V510 H512 | Y479-E485 HydrophobicContact CD1-CG 4.14Å; Y479-E485 HydrophobicContact CE1-CG 4.03Å; Y479-E485 HydrophobicContact CE2-CB 4.39Å; Y479-Y509 VanDerWaalsContact O-CA 3.32Å; Y479-Y509 WeakPolarHBondContact O-CA 3.13Å; Y479-V510 HydrophobicContact CD2-CB 4.35Å; Y479-V510 HydrophobicContact CE1-CB 4.16Å; Y479-V510 HydrophobicContact CE1-CG1 4.23Å; Y479-V510 HydrophobicContact CE2-CB 3.83Å; Y479-V510 HydrophobicContact CE2-CG1 4.41Å; Y479-V510 HydrophobicContact CE2-CG2 4.05Å; Y479-V510 PolarHBondContact N-O 2.65Å; Y479-V510 VanDerWaalsContact N-O 3.11Å; Y479-V510 PolarHBondContact O-N 2.88Å; Y479-H512 AromaticContact CE1-CD2 3.95Å; Y479-H512 AromaticContact CE1-NE2 3.79Å; Y479-H512 PolarHBondContact OH-NE2 3.38Å |
| 480 | E | 87.4 | Confident | 81.9 | Confident | 32 Ų | 32 | 73.7 Ų | 73.7 | 15% | 0.15 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 129.3 | 173.1 | -68.6 | 177.4 | -178.6 | 0 | 0 | 109.9 | D482 Q483 N504 T507 Y509 | E480-D482 VanDerWaalsContact C-N 3.33Å; E480-D482 PolarHBondContact O-N 3Å; E480-Q483 HydrophobicContact CB-CB 4.37Å; E480-Q483 HydrophobicContact CB-CG 4.15Å; E480-Q483 PolarHBondContact O-N 3.18Å; E480-Q483 VanDerWaalsContact O-N 3.13Å; E480-Q483 PolarHBondContact OE2-NE2 3.32Å; E480-N504 PolarHBondContact OE1-ND2 2.76Å; E480-T507 HydrophobicContact CG-CG2 4.04Å; E480-Y509 HydrophobicContact CB-CE1 4.36Å; E480-Y509 HydrophobicContact CG-CD1 3.79Å; E480-Y509 HydrophobicContact CG-CE1 3.17Å; E480-Y509 HydrophobicContact CG-CE2 4.47Å; E480-Y509 PolarHBondContact OE1-OH 2.03Å |
| 481 | K | 82.3 | Confident | 82.3 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -56.6 | -46.6 | -174.7 | 178.7 | 167 | 169.9 | 175.8 | 0 | 112.2 | Q483 N484 S508 V510 E529 | K481-Q483 PolarHBondContact O-N 3.46Å; K481-Q483 VanDerWaalsContact O-N 3.17Å; K481-N484 PolarHBondContact O-N 3.39Å; K481-S508 PolarHBondContact N-O 3.31Å; K481-V510 HydrophobicContact CB-CG2 4.27Å; K481-E529 VanDerWaalsContact CD-CD 3.48Å; K481-E529 HydrophobicContact CD-CG 4.46Å; K481-E529 WeakPolarHBondContact CD-OE1 3.41Å; K481-E529 IonicContact NZ-OE1 3.74Å; K481-E529 PolarHBondContact NZ-OE1 3.44Å; K481-E529 IonicContact NZ-OE2 2.66Å; K481-E529 PolarHBondContact NZ-OE2 2.85Å |
| 482 | D | 74.1 | Confident | 82.6 | Confident | 151 Ų | 151 | 76.3 Ų | 76.3 | 81% | 0.807 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -68 | -16 | -176.5 | -60.5 | -10.9 | 0 | 0 | 0 | 113.4 | E480 | E480-D482 VanDerWaalsContact C-N 3.33Å; E480-D482 PolarHBondContact O-N 3Å |
| 483 | Q | 64.3 | Low | 82.8 | Confident | 98 Ų | 98 | 73.6 Ų | 73.6 | 46% | 0.458 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -93.5 | 1.8 | 178.5 | -60.8 | -156.4 | 41.3 | 0 | 0 | 114.1 | E480 K481 R486 | E480-Q483 HydrophobicContact CB-CB 4.37Å; E480-Q483 HydrophobicContact CB-CG 4.15Å; E480-Q483 PolarHBondContact O-N 3.18Å; E480-Q483 VanDerWaalsContact O-N 3.13Å; E480-Q483 PolarHBondContact OE2-NE2 3.32Å; K481-Q483 PolarHBondContact O-N 3.46Å; K481-Q483 VanDerWaalsContact O-N 3.17Å; Q483-R486 PolarHBondContact O-N 2.93Å |
| 484 | N | 63.7 | Low | 82.8 | Confident | 138 Ų | 138 | 76.1 Ų | 76.1 | 74% | 0.738 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 67.5 | 174.2 | -80.9 | -27.9 | 0 | 0 | 0 | 114.3 | K481 R486 | K481-N484 PolarHBondContact O-N 3.39Å; N484-R486 PolarHBondContact O-N 3.1Å |
| 485 | E | 66.4 | Low | 82.7 | Confident | 92 Ų | 92 | 77.7 Ų | 77.7 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -8.2 | 172.9 | -150.2 | 176.5 | -144.4 | 0 | 0 | 117.2 | K477 Y479 S487 | K477-E485 IonicContact NZ-OE1 3.47Å; K477-E485 PolarHBondContact NZ-OE1 2.87Å; Y479-E485 HydrophobicContact CD1-CG 4.14Å; Y479-E485 HydrophobicContact CE1-CG 4.03Å; Y479-E485 HydrophobicContact CE2-CB 4.39Å; E485-S487 PolarHBondContact O-N 2.86Å; E485-S487 VanDerWaalsContact O-N 3.1Å |
| 486 | R | 60.7 | Low | 82.6 | Confident | 238 Ų | 238 | 83.2 Ų | 83.2 | 90% | 0.898 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -65.5 | -16.4 | -174.1 | -124.2 | 179.6 | -173 | -172.9 | 2.5 | 115 | Q483 N484 | Q483-R486 PolarHBondContact O-N 2.93Å; N484-R486 PolarHBondContact O-N 3.1Å |
| 487 | S | 71.8 | Confident | 82.6 | Confident | 73 Ų | 73 | 87.6 Ų | 87.6 | 51% | 0.51 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -140.5 | 77.9 | 178.4 | -163.1 | 0 | 0 | 0 | 0 | 109.8 | E485 | E485-S487 PolarHBondContact O-N 2.86Å; E485-S487 VanDerWaalsContact O-N 3.1Å |
| 488 | Y | 82.1 | Confident | 82.6 | Confident | 131 Ų | 131 | 87.7 Ų | 87.7 | 51% | 0.514 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 152 | 176.5 | 70.5 | -94.7 | 0 | 0 | 0 | 112.2 | K477 Y478 I490 | K477-Y488 HydrophobicContact CD-CD2 4.42Å; K477-Y488 HydrophobicContact CG-CD2 4.05Å; K477-Y488 HydrophobicContact CG-CG 4.35Å; Y478-Y488 CarbonylContact O-C 3.48Å; Y478-Y488 WeakPolarHBondContact O-CA 3.29Å; Y488-I490 HydrophobicContact CD2-CD1 3.86Å; Y488-I490 HydrophobicContact CD2-CG1 4.13Å; Y488-I490 HydrophobicContact CE2-CD1 3.92Å; Y488-I490 HydrophobicContact CE2-CG1 4.03Å |
| 489 | R | 87.2 | Confident | 82.5 | Confident | 112 Ų | 112 | 90.1 Ų | 90.1 | 42% | 0.423 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 154.6 | 176.4 | -63.4 | 176.6 | -177.3 | 176.4 | 4.1 | 109.6 | K477 Y478 G502 | K477-R489 WeakPolarHBondContact CA-O 3.45Å; Y478-R489 HydrophobicContact CD1-CB 4.02Å; Y478-R489 HydrophobicContact CD2-CB 4.49Å; Y478-R489 HydrophobicContact CE1-CB 3.55Å; Y478-R489 HydrophobicContact CE2-CB 4.06Å; Y478-R489 HydrophobicContact CE2-CG 4.38Å; Y478-R489 HydrophobicContact CG-CB 4.47Å; Y478-R489 VanDerWaalsContact CZ-CD 3.44Å; Y478-R489 PolarHBondContact N-O 3.34Å; Y478-R489 PolarHBondContact O-N 2.92Å; Y478-R489 WeakPolarHBondContact OH-CD 3.21Å; Y478-R489 PolarHBondContact OH-NH1 2.82Å; R489-G502 PolarHBondContact NH1-O 2.65Å |
| 490 | I | 89.8 | Confident | 82.7 | Confident | 70 Ų | 70 | 88.6 Ų | 88.6 | 36% | 0.359 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 137.8 | -177.4 | -58.1 | -64.9 | 0 | 0 | 0 | 109.9 | E475 V476 K477 Y488 R492 | E475-I490 HydrophobicContact CG-CG2 3.5Å; V476-I490 CarbonylContact O-C 3.54Å; V476-I490 WeakPolarHBondContact O-CA 3.4Å; K477-I490 HydrophobicContact CB-CD1 3.77Å; K477-I490 HydrophobicContact CG-CD1 3.87Å; Y488-I490 HydrophobicContact CD2-CD1 3.86Å; Y488-I490 HydrophobicContact CD2-CG1 4.13Å; Y488-I490 HydrophobicContact CE2-CD1 3.92Å; Y488-I490 HydrophobicContact CE2-CG1 4.03Å; I490-R492 HydrophobicContact CG2-CG 4.29Å |
| 491 | V | 90.6 | Very high | 82.7 | Confident | 44 Ų | 44 | 92.9 Ų | 92.9 | 27% | 0.267 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.7 | 169.9 | 174.8 | 0 | 0 | 0 | 0 | 109 | E475 V476 Y478 T498 I500 | E475-V491 WeakPolarHBondContact CA-O 3.24Å; V476-V491 PolarHBondContact N-O 2.66Å; V476-V491 PolarHBondContact O-N 2.03Å; Y478-V491 HydrophobicContact CE1-CG2 4.16Å; V491-T498 HydrophobicContact CG1-CG2 4.4Å; V491-I500 HydrophobicContact CB-CD1 3.82Å; V491-I500 HydrophobicContact CG1-CD1 4.13Å; V491-I500 HydrophobicContact CG2-CD1 3.67Å |
| 492 | R | 90.3 | Very high | 82.7 | Confident | 130 Ų | 130 | 90.8 Ų | 90.8 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 142.3 | -178.8 | -67.5 | 163.5 | 82.1 | 157.4 | 7.4 | 110.2 | E473 Y474 E475 I490 Y521 | E473-R492 IonicContact OE1-CZ 3.71Å; E473-R492 IonicContact OE1-NE 2.66Å; E473-R492 PolarHBondContact OE1-NE 3.41Å; E473-R492 IonicContact OE1-NH2 2.7Å; E473-R492 PolarHBondContact OE1-NH2 2.91Å; E473-R492 IonicContact OE2-NH2 3.67Å; Y474-R492 WeakPolarHBondContact O-CA 3.24Å; E475-R492 HydrophobicContact CB-CG 4.18Å; E475-R492 HydrophobicContact CG-CG 3.89Å; E475-R492 IonicContact OE2-CZ 2.69Å; E475-R492 IonicContact OE2-NE 2.65Å; I490-R492 HydrophobicContact CG2-CG 4.29Å; R492-Y521 VanDerWaalsContact CZ-OH 3.27Å; R492-Y521 PolarHBondContact NH2-OH 3.12Å; R492-Y521 VanDerWaalsContact NH2-OH 3.12Å |
| 493 | T | 88.6 | Confident | 83.3 | Confident | 28 Ų | 28 | 83.8 Ų | 83.8 | 17% | 0.172 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 145.3 | -175 | 176.1 | 0 | 0 | 0 | 0 | 111 | W461 Y474 A495 N497 | W461-T493 HydrophobicContact CH2-CG2 3.74Å; W461-T493 HydrophobicContact CZ2-CG2 3.68Å; Y474-T493 PolarHBondContact N-O 2.81Å; Y474-T493 PolarHBondContact O-N 2.99Å; T493-A495 WeakPolarHBondContact CG2-O 3.09Å; T493-A495 PolarHBondContact OG1-N 3.18Å; T493-A495 VanDerWaalsContact OG1-N 3.08Å; T493-A495 PolarHBondContact OG1-O 2.87Å; T493-N497 PolarHBondContact OG1-O 3.01Å |
| 494 | A | 87.6 | Confident | 84.2 | Confident | 85 Ų | 85 | 83 Ų | 83 | 70% | 0.702 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -81.9 | -19.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 495 | A | 90.9 | Very high | 85.2 | Confident | 42 Ų | 42 | 79.2 Ų | 79.2 | 35% | 0.347 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -84.7 | 154.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W461 T493 N497 | W461-A495 WeakPolarHBondContact CZ2-O 3.35Å; T493-A495 WeakPolarHBondContact CG2-O 3.09Å; T493-A495 PolarHBondContact OG1-N 3.18Å; T493-A495 VanDerWaalsContact OG1-N 3.08Å; T493-A495 PolarHBondContact OG1-O 2.87Å; A495-N497 PolarHBondContact O-N 2.86Å |
| 496 | R | 91.6 | Very high | 86 | Confident | 124 Ų | 124 | 80.9 Ų | 80.9 | 47% | 0.468 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -76.2 | 30.7 | 171.8 | -63.3 | -176.1 | -61.7 | -152.8 | 4.7 | 113.3 | A460 W461 E463 Y474 | A460-R496 WeakPolarHBondContact CA-O 3.31Å; W461-R496 PolarHBondContact N-O 2.79Å; W461-R496 VanDerWaalsContact N-O 3.11Å; E463-R496 IonicContact OE2-CZ 3.67Å; E463-R496 IonicContact OE2-NH1 3.71Å; E463-R496 PolarHBondContact OE2-NH1 3.38Å; Y474-R496 HydrophobicContact CD2-CG 4.49Å; Y474-R496 HydrophobicContact CE2-CG 3.68Å |
| 497 | N | 91.8 | Very high | 87.2 | Confident | 93 Ų | 93 | 71.2 Ų | 71.2 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 161.1 | 177.9 | 59.6 | 72.5 | 0 | 0 | 0 | 111.8 | L459 A460 T493 A495 | L459-N497 CarbonylContact O-C 3.59Å; L459-N497 WeakPolarHBondContact O-CA 3.21Å; L459-N497 WeakPolarHBondContact O-CB 3.47Å; A460-N497 HydrophobicContact CB-CB 4Å; T493-N497 PolarHBondContact OG1-O 3.01Å; A495-N497 PolarHBondContact O-N 2.86Å |
| 498 | T | 92.7 | Very high | 88 | Confident | 28 Ų | 28 | 68.7 Ų | 68.7 | 17% | 0.172 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 161.3 | 170.8 | -164.4 | 0 | 0 | 0 | 0 | 111.1 | A458 L459 W461 V476 V491 I500 | A458-T498 CarbonylContact C-O 3.57Å; A458-T498 WeakPolarHBondContact CA-O 3.23Å; L459-T498 PolarHBondContact N-O 2.86Å; L459-T498 PolarHBondContact O-N 2.95Å; W461-T498 HydrophobicContact CH2-CG2 3.97Å; W461-T498 HydrophobicContact CZ3-CG2 4.12Å; V476-T498 HydrophobicContact CG2-CG2 3.87Å; V491-T498 HydrophobicContact CG1-CG2 4.4Å; T498-I500 HydrophobicContact CG2-CD1 3.56Å; T498-I500 HydrophobicContact CG2-CG1 4.14Å |
| 499 | D | 90.7 | Very high | 88.4 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 107.9 | 173.6 | 177.2 | 27.2 | 0 | 0 | 0 | 109.9 | S456 A458 K501 | S456-D499 VanDerWaalsContact CB-OD1 3.23Å; S456-D499 WeakPolarHBondContact CB-OD1 3.31Å; S456-D499 PolarHBondContact OG-OD1 3.27Å; A458-D499 HydrophobicContact CB-CB 4.34Å; D499-K501 PolarHBondContact O-N 3.49Å; D499-K501 WeakPolarHBondContact OD2-CE 3.11Å; D499-K501 IonicContact OD2-NZ 3.78Å |
| 500 | I | 91.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 101.8 | -175.5 | -53.6 | -63.8 | 0 | 0 | 0 | 108.7 | S456 V457 L459 V476 Y478 V491 T498 L503 F511 | S456-I500 CarbonylContact C-O 3.55Å; S456-I500 WeakPolarHBondContact CA-O 3.46Å; S456-I500 VanDerWaalsContact CB-O 3.23Å; S456-I500 WeakPolarHBondContact CB-O 3.41Å; V457-I500 PolarHBondContact N-O 2.9Å; V457-I500 PolarHBondContact O-N 3.22Å; L459-I500 HydrophobicContact CD1-CG1 4.02Å; V476-I500 HydrophobicContact CB-CD1 4.49Å; V476-I500 HydrophobicContact CG1-CD1 4.22Å; Y478-I500 HydrophobicContact CD1-CD1 4.38Å; Y478-I500 HydrophobicContact CD1-CG2 3.81Å; Y478-I500 HydrophobicContact CD2-CG2 4.29Å; Y478-I500 HydrophobicContact CE1-CD1 4.36Å; Y478-I500 HydrophobicContact CE1-CG2 3.32Å; Y478-I500 HydrophobicContact CE2-CG2 3.88Å; Y478-I500 HydrophobicContact CG-CG2 4.26Å; V491-I500 HydrophobicContact CB-CD1 3.82Å; V491-I500 HydrophobicContact CG1-CD1 4.13Å; V491-I500 HydrophobicContact CG2-CD1 3.67Å; T498-I500 HydrophobicContact CG2-CD1 3.56Å; T498-I500 HydrophobicContact CG2-CG1 4.14Å; I500-L503 HydrophobicContact CG2-CD1 4.41Å; I500-L503 HydrophobicContact CG2-CD2 3.9Å; I500-L503 HydrophobicContact CG2-CG 4.33Å; I500-F511 HydrophobicContact CB-CE1 4.23Å; I500-F511 HydrophobicContact CG1-CD1 4.4Å; I500-F511 HydrophobicContact CG1-CE1 4Å; I500-F511 HydrophobicContact CG2-CE1 4.19Å |
| 501 | K | 87.3 | Confident | 88.8 | Confident | 122 Ų | 122 | 54.5 Ų | 54.5 | 53% | 0.53 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 160.5 | -177.6 | -61.7 | 171.7 | -174 | 176.4 | 0 | 112.6 | Y455 D499 | Y455-K501 CarbonylContact O-C 3.49Å; Y455-K501 WeakPolarHBondContact O-CA 3.32Å; D499-K501 PolarHBondContact O-N 3.49Å; D499-K501 WeakPolarHBondContact OD2-CE 3.11Å; D499-K501 IonicContact OD2-NZ 3.78Å |
| 502 | G | 82.6 | Confident | 88.9 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 43% | 0.433 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 80.2 | 35 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y455 R489 | Y455-G502 PolarHBondContact O-N 3.07Å; R489-G502 PolarHBondContact NH1-O 2.65Å |
| 503 | L | 87.1 | Confident | 89.1 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 152.4 | 173.6 | -58.2 | -178.6 | 0 | 0 | 0 | 110.9 | Y455 V457 Y478 I500 Y509 F511 T532 | Y455-L503 WeakPolarHBondContact CA-O 3.37Å; Y455-L503 PolarHBondContact O-N 2.9Å; Y455-L503 VanDerWaalsContact O-N 3.07Å; V457-L503 HydrophobicContact CB-CD1 4.04Å; V457-L503 HydrophobicContact CG2-CD1 3.68Å; Y478-L503 HydrophobicContact CD2-CD2 4.04Å; Y478-L503 HydrophobicContact CE2-CD2 3.36Å; I500-L503 HydrophobicContact CG2-CD1 4.41Å; I500-L503 HydrophobicContact CG2-CD2 3.9Å; I500-L503 HydrophobicContact CG2-CG 4.33Å; L503-Y509 HydrophobicContact CB-CD2 4.42Å; L503-Y509 HydrophobicContact CB-CE2 3.74Å; L503-Y509 HydrophobicContact CD1-CD2 4.26Å; L503-Y509 HydrophobicContact CD1-CE2 4.4Å; L503-Y509 HydrophobicContact CD2-CD1 4.08Å; L503-Y509 HydrophobicContact CD2-CD2 4.25Å; L503-Y509 HydrophobicContact CD2-CE1 3.79Å; L503-Y509 HydrophobicContact CD2-CE2 3.99Å; L503-Y509 HydrophobicContact CD2-CG 4.3Å; L503-Y509 HydrophobicContact CG-CE2 4.26Å; L503-F511 HydrophobicContact CD1-CZ 4.33Å; L503-T532 HydrophobicContact CB-CG2 3.79Å; L503-T532 HydrophobicContact CD1-CG2 3.75Å; L503-T532 HydrophobicContact CG-CG2 4.44Å |
| 504 | N | 84.4 | Confident | 89.3 | Confident | 80 Ų | 80 | 48.7 Ų | 48.7 | 43% | 0.428 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 143 | 169.4 | -71.9 | -41.1 | 0 | 0 | 0 | 110.1 | E480 T507 Y509 T532 | E480-N504 PolarHBondContact OE1-ND2 2.76Å; N504-T507 HydrophobicContact CB-CG2 4.29Å; N504-T507 WeakPolarHBondContact CB-OG1 3.43Å; N504-Y509 WeakPolarHBondContact CB-OH 3.38Å; N504-Y509 PolarHBondContact N-OH 2.89Å; N504-T532 WeakPolarHBondContact O-CB 3.28Å; N504-T532 PolarHBondContact O-OG1 3.05Å |
| 505 | P | 83.1 | Confident | 89.4 | Confident | 60 Ų | 60 | 44.7 Ų | 44.7 | 39% | 0.39 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 153.1 | 178.2 | 31.5 | -35.2 | 0 | 0 | 0 | 111.9 | R454 Y455 T507 T532 | R454-P505 HydrophobicContact CB-CB 4.26Å; R454-P505 WeakPolarHBondContact O-CA 3.46Å; R454-P505 WeakPolarHBondContact O-CB 3.31Å; Y455-P505 HydrophobicContact CE1-CB 4.37Å; Y455-P505 HydrophobicContact CE1-CG 4.2Å; P505-T507 PolarHBondContact O-N 3.39Å; P505-T507 PolarHBondContact O-OG1 3.22Å; P505-T532 VanDerWaalsContact C-OG1 3.27Å; P505-T532 WeakPolarHBondContact CA-OG1 3.19Å |
| 506 | L | 83 | Confident | 89.1 | Confident | 126 Ų | 126 | 46 Ų | 46 | 66% | 0.66 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 29 | -179.6 | -60.8 | 172.5 | 0 | 0 | 0 | 114.2 | T532 T534 | L506-T532 VanDerWaalsContact CA-O 3.31Å; L506-T532 WeakPolarHBondContact CA-O 3.45Å; L506-T532 PolarHBondContact N-O 3.04Å; L506-T532 PolarHBondContact N-OG1 3.15Å; L506-T534 HydrophobicContact CD2-CG2 4.19Å; L506-T534 HydrophobicContact CG-CG2 4.5Å |
| 507 | T | 86.9 | Confident | 88.8 | Confident | 36 Ų | 36 | 40.1 Ų | 40.1 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | trans | -115.6 | 136.5 | -173.4 | -58.1 | 0 | 0 | 0 | 0 | 109.8 | E480 N504 P505 Y509 T531 T532 | E480-T507 HydrophobicContact CG-CG2 4.04Å; N504-T507 HydrophobicContact CB-CG2 4.29Å; N504-T507 WeakPolarHBondContact CB-OG1 3.43Å; P505-T507 PolarHBondContact O-N 3.39Å; P505-T507 PolarHBondContact O-OG1 3.22Å; T507-Y509 HydrophobicContact CG2-CD2 4.31Å; T507-Y509 HydrophobicContact CG2-CE2 3.74Å; T507-Y509 WeakPolarHBondContact O-CD2 3.33Å; T507-T531 WeakPolarHBondContact O-CA 3.23Å; T507-T532 PolarHBondContact N-OG1 2.93Å; T507-T532 PolarHBondContact O-N 2.85Å; T507-T532 VanDerWaalsContact O-N 3.1Å; T507-T532 PolarHBondContact O-OG1 3Å | ||
| 508 | S | 89.1 | Confident | 88 | Confident | 20 Ų | 20 | 39.4 Ų | 39.4 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.6 | 178.5 | -159.6 | 0 | 0 | 0 | 0 | 111.8 | K481 E529 | K481-S508 PolarHBondContact N-O 3.31Å; S508-E529 WeakPolarHBondContact OG-CG 3.38Å; S508-E529 PolarHBondContact OG-OE1 2.66Å |
| 509 | Y | 90.3 | Very high | 86.9 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141.5 | 178.4 | -73.3 | -87.7 | 0 | 0 | 0 | 110.6 | Y478 Y479 E480 L503 N504 T507 F511 E529 V530 T532 | Y478-Y509 AromaticContact CD2-CD1 3.89Å; Y478-Y509 HydrophobicContact CD2-CD1 3.89Å; Y478-Y509 HydrophobicContact CD2-CE1 4.32Å; Y478-Y509 HydrophobicContact CE2-CD1 4.31Å; Y478-Y509 HydrophobicContact CE2-CE1 4.29Å; Y479-Y509 VanDerWaalsContact O-CA 3.32Å; Y479-Y509 WeakPolarHBondContact O-CA 3.13Å; E480-Y509 HydrophobicContact CB-CE1 4.36Å; E480-Y509 HydrophobicContact CG-CD1 3.79Å; E480-Y509 HydrophobicContact CG-CE1 3.17Å; E480-Y509 HydrophobicContact CG-CE2 4.47Å; E480-Y509 PolarHBondContact OE1-OH 2.03Å; L503-Y509 HydrophobicContact CB-CD2 4.42Å; L503-Y509 HydrophobicContact CB-CE2 3.74Å; L503-Y509 HydrophobicContact CD1-CD2 4.26Å; L503-Y509 HydrophobicContact CD1-CE2 4.4Å; L503-Y509 HydrophobicContact CD2-CD1 4.08Å; L503-Y509 HydrophobicContact CD2-CD2 4.25Å; L503-Y509 HydrophobicContact CD2-CE1 3.79Å; L503-Y509 HydrophobicContact CD2-CE2 3.99Å; L503-Y509 HydrophobicContact CD2-CG 4.3Å; L503-Y509 HydrophobicContact CG-CE2 4.26Å; N504-Y509 WeakPolarHBondContact CB-OH 3.38Å; N504-Y509 PolarHBondContact N-OH 2.89Å; T507-Y509 HydrophobicContact CG2-CD2 4.31Å; T507-Y509 HydrophobicContact CG2-CE2 3.74Å; T507-Y509 WeakPolarHBondContact O-CD2 3.33Å; Y509-F511 VanDerWaalsContact CB-CE2 3.42Å; Y509-F511 HydrophobicContact CG-CZ 4.31Å; Y509-E529 WeakPolarHBondContact O-CA 3.17Å; Y509-V530 PolarHBondContact N-O 2.77Å; Y509-V530 PolarHBondContact O-N 3.24Å; Y509-T532 HydrophobicContact CD2-CG2 4.24Å; Y509-T532 HydrophobicContact CE2-CG2 4.26Å |
| 510 | V | 91.7 | Very high | 86.2 | Confident | 12 Ų | 12 | 39 Ų | 39 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 136.6 | 171.1 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | Y478 Y479 K481 P527 L528 | Y478-V510 WeakPolarHBondContact CA-O 3.31Å; Y478-V510 WeakPolarHBondContact CB-O 3.35Å; Y479-V510 HydrophobicContact CD2-CB 4.35Å; Y479-V510 HydrophobicContact CE1-CB 4.16Å; Y479-V510 HydrophobicContact CE1-CG1 4.23Å; Y479-V510 HydrophobicContact CE2-CB 3.83Å; Y479-V510 HydrophobicContact CE2-CG1 4.41Å; Y479-V510 HydrophobicContact CE2-CG2 4.05Å; Y479-V510 PolarHBondContact N-O 2.65Å; Y479-V510 VanDerWaalsContact N-O 3.11Å; Y479-V510 PolarHBondContact O-N 2.88Å; K481-V510 HydrophobicContact CB-CG2 4.27Å; V510-P527 HydrophobicContact CG1-CB 3.48Å; V510-P527 VanDerWaalsContact CG1-CB 3.48Å; V510-L528 CarbonylContact C-O 3.42Å; V510-L528 WeakPolarHBondContact CA-O 3.27Å |
| 511 | F | 93.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.8 | -177.5 | -57.8 | -93.3 | 0 | 0 | 0 | 111 | V457 L459 V476 K477 Y478 I500 L503 Y509 L528 V530 | V457-F511 HydrophobicContact CB-CZ 3.98Å; V457-F511 HydrophobicContact CG1-CE2 4.3Å; V457-F511 HydrophobicContact CG1-CZ 4.15Å; V457-F511 HydrophobicContact CG2-CE2 4.47Å; V457-F511 HydrophobicContact CG2-CZ 4.11Å; L459-F511 HydrophobicContact CD1-CB 4.11Å; L459-F511 HydrophobicContact CD1-CD1 3.6Å; L459-F511 HydrophobicContact CD1-CE1 4.25Å; L459-F511 HydrophobicContact CD1-CG 3.97Å; L459-F511 HydrophobicContact CD2-CG 4.44Å; V476-F511 HydrophobicContact CG1-CD1 4.43Å; K477-F511 CarbonylContact O-C 3.53Å; K477-F511 WeakPolarHBondContact O-CA 3.46Å; Y478-F511 HydrophobicContact CD2-CE1 4.18Å; Y478-F511 HydrophobicContact CG-CD1 4.08Å; Y478-F511 AromaticContact CG-CE1 3.89Å; Y478-F511 HydrophobicContact CG-CE1 3.89Å; I500-F511 HydrophobicContact CB-CE1 4.23Å; I500-F511 HydrophobicContact CG1-CD1 4.4Å; I500-F511 HydrophobicContact CG1-CE1 4Å; I500-F511 HydrophobicContact CG2-CE1 4.19Å; L503-F511 HydrophobicContact CD1-CZ 4.33Å; Y509-F511 VanDerWaalsContact CB-CE2 3.42Å; Y509-F511 HydrophobicContact CG-CZ 4.31Å; F511-L528 HydrophobicContact CB-CB 4.49Å; F511-L528 PolarHBondContact N-O 3Å; F511-L528 PolarHBondContact O-N 3.07Å; F511-V530 HydrophobicContact CD2-CB 4.36Å; F511-V530 HydrophobicContact CD2-CG2 3.92Å; F511-V530 HydrophobicContact CE2-CB 3.88Å; F511-V530 HydrophobicContact CE2-CG2 3.91Å |
| 512 | H | 92.4 | Very high | 85.6 | Confident | 24 Ų | 24 | 36.6 Ų | 36.6 | 11% | 0.111 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.7 | 171.3 | -58.6 | -100.3 | 0 | 0 | 0 | 110 | V476 K477 Y479 F524 S525 | V476-H512 CarbonylContact C-O 3.43Å; V476-H512 VanDerWaalsContact CA-O 3.3Å; V476-H512 WeakPolarHBondContact CA-O 3.48Å; K477-H512 HydrophobicContact CB-CB 4.49Å; K477-H512 PolarHBondContact N-O 3.37Å; K477-H512 PolarHBondContact O-N 3.38Å; Y479-H512 AromaticContact CE1-CD2 3.95Å; Y479-H512 AromaticContact CE1-NE2 3.79Å; Y479-H512 PolarHBondContact OH-NE2 3.38Å; H512-F524 HydrophobicContact CB-CB 4.03Å; H512-F524 HydrophobicContact CB-CD1 3.57Å; H512-F524 HydrophobicContact CB-CE1 4.31Å; H512-F524 HydrophobicContact CB-CG 4.02Å; H512-S525 WeakPolarHBondContact CA-OG 3.37Å; H512-S525 PolarHBondContact ND1-O 2.62Å |
| 513 | V | 94.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.9 | 178 | -168.6 | 0 | 0 | 0 | 0 | 111.1 | I444 V447 W461 Y474 E475 V476 S525 | I444-V513 HydrophobicContact CD1-CB 4.27Å; I444-V513 HydrophobicContact CD1-CG1 3.79Å; V447-V513 HydrophobicContact CB-CG2 4.39Å; V447-V513 HydrophobicContact CG1-CG2 3.7Å; V447-V513 HydrophobicContact CG2-CB 3.96Å; V447-V513 HydrophobicContact CG2-CG2 3.71Å; W461-V513 HydrophobicContact CD2-CB 4.47Å; W461-V513 HydrophobicContact CD2-CG1 3.76Å; W461-V513 HydrophobicContact CD2-CG2 4.21Å; W461-V513 HydrophobicContact CE3-CG1 4.19Å; W461-V513 HydrophobicContact CE3-CG2 3.9Å; W461-V513 HydrophobicContact CG-CG1 4.1Å; W461-V513 HydrophobicContact CH2-CG1 4.43Å; W461-V513 HydrophobicContact CZ2-CG1 4.05Å; W461-V513 HydrophobicContact CZ3-CG1 4.49Å; W461-V513 HydrophobicContact CZ3-CG2 4.25Å; Y474-V513 HydrophobicContact CD1-CG1 4.48Å; E475-V513 WeakPolarHBondContact O-CA 3.2Å; V476-V513 HydrophobicContact CG1-CG2 4.34Å; V476-V513 HydrophobicContact CG2-CG1 4.3Å; V476-V513 HydrophobicContact CG2-CG2 4.1Å; V513-S525 PolarHBondContact N-OG 2.96Å; V513-S525 WeakPolarHBondContact O-CB 3.07Å; V513-S525 PolarHBondContact O-N 2.91Å |
| 514 | R | 93 | Very high | 86 | Confident | 56 Ų | 56 | 43.2 Ų | 43.2 | 21% | 0.211 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 153.6 | 170.1 | 60.6 | -175.5 | -175.4 | 162.6 | -1 | 112 | Y474 E475 Y521 G522 D523 F524 | Y474-R514 CarbonylContact C-O 3.48Å; Y474-R514 VanDerWaalsContact CA-O 3.32Å; Y474-R514 WeakPolarHBondContact CA-O 3.32Å; E475-R514 HydrophobicContact CB-CG 4.1Å; E475-R514 PolarHBondContact N-O 2.81Å; E475-R514 PolarHBondContact O-N 3.43Å; E475-R514 IonicContact OE1-CZ 3.93Å; E475-R514 VanDerWaalsContact OE1-CZ 3.23Å; E475-R514 IonicContact OE1-NE 2.89Å; E475-R514 PolarHBondContact OE1-NE 3.43Å; E475-R514 IonicContact OE1-NH2 3.66Å; E475-R514 PolarHBondContact OE1-NH2 2.78Å; R514-Y521 HydrophobicContact CG-CD1 3.99Å; R514-G522 WeakPolarHBondContact CB-O 3.46Å; R514-G522 WeakPolarHBondContact CD-O 3.4Å; R514-D523 WeakPolarHBondContact CB-O 3.39Å; R514-F524 HydrophobicContact CB-CD1 3.98Å; R514-F524 HydrophobicContact CB-CE1 4.28Å; R514-F524 HydrophobicContact CB-CG 4.44Å; R514-F524 VanDerWaalsContact CD-CZ 3.48Å; R514-F524 HydrophobicContact CG-CD1 3.84Å; R514-F524 HydrophobicContact CG-CE1 3.61Å; R514-F524 HydrophobicContact CG-CG 4.48Å; R514-F524 HydrophobicContact CG-CZ 4.08Å; R514-F524 VanDerWaalsContact NE-CZ 3.3Å |
| 515 | A | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 157.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P441 I444 P464 I471 Y474 Y521 G522 | P441-A515 HydrophobicContact CB-CB 4.21Å; P441-A515 HydrophobicContact CG-CB 3.71Å; P441-A515 WeakPolarHBondContact CG-O 3.41Å; I444-A515 HydrophobicContact CD1-CB 4.3Å; P464-A515 HydrophobicContact CG-CB 4.09Å; I471-A515 HydrophobicContact CD1-CB 4.27Å; I471-A515 HydrophobicContact CG1-CB 4.47Å; I471-A515 HydrophobicContact CG2-CB 4.07Å; Y474-A515 HydrophobicContact CD1-CB 3.89Å; Y474-A515 HydrophobicContact CE1-CB 3.77Å; A515-Y521 WeakPolarHBondContact O-CA 3.28Å; A515-G522 PolarHBondContact O-N 3.07Å |
| 516 | R | 85.8 | Confident | 86.7 | Confident | 70 Ų | 70 | 44.4 Ų | 44.4 | 26% | 0.264 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.6 | 174.1 | -176.6 | 166.2 | 79.3 | 96.1 | -2.6 | 111.3 | L472 E473 G520 Y521 | L472-R516 PolarHBondContact N-O 3.45Å; E473-R516 HydrophobicContact CG-CB 3.85Å; E473-R516 HydrophobicContact CG-CG 4.48Å; E473-R516 PolarHBondContact O-N 3.23Å; E473-R516 IonicContact OE1-CZ 3.85Å; E473-R516 IonicContact OE1-NE 2.68Å; E473-R516 PolarHBondContact OE1-NE 2.98Å; E473-R516 IonicContact OE1-NH2 3.98Å; E473-R516 PolarHBondContact OE1-NH2 2.84Å; E473-R516 IonicContact OE2-CZ 3.71Å; E473-R516 IonicContact OE2-NE 3.81Å; E473-R516 IonicContact OE2-NH2 2.78Å; E473-R516 PolarHBondContact OE2-NH2 3.08Å; R516-G520 CarbonylContact C-O 3.21Å; R516-G520 WeakPolarHBondContact CA-O 3.43Å; R516-Y521 HydrophobicContact CB-CD1 3.84Å; R516-Y521 HydrophobicContact CB-CE1 4.13Å; R516-Y521 HydrophobicContact CB-CG 4.34Å; R516-Y521 HydrophobicContact CG-CD1 4.25Å; R516-Y521 HydrophobicContact CG-CE1 4.44Å; R516-Y521 HydrophobicContact CG-CG 4.36Å |
| 517 | T | 84.1 | Confident | 87 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -177.4 | 166.4 | 60.6 | 0 | 0 | 0 | 0 | 110.1 | A439 P441 P467 V470 I471 A519 G520 | A439-T517 PolarHBondContact O-OG1 2.92Å; P441-T517 HydrophobicContact CB-CG2 4.33Å; P441-T517 HydrophobicContact CG-CG2 4.17Å; P467-T517 VanDerWaalsContact O-CG2 3.25Å; P467-T517 WeakPolarHBondContact O-CG2 2.86Å; V470-T517 WeakPolarHBondContact O-CA 3.44Å; I471-T517 HydrophobicContact CG1-CG2 4.42Å; T517-A519 PolarHBondContact O-N 3.27Å; T517-A519 PolarHBondContact OG1-N 2.83Å; T517-G520 PolarHBondContact N-O 2.9Å; T517-G520 PolarHBondContact O-N 3.17Å |
| 518 | A | 76.2 | Confident | 87.3 | Confident | 78 Ų | 78 | 42.2 Ų | 42.2 | 65% | 0.645 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -23.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L472 | L472-A518 HydrophobicContact CD1-CB 4.46Š|
| 519 | A | 69.2 | Low | 87.4 | Confident | 59 Ų | 59 | 45.7 Ų | 45.7 | 49% | 0.488 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q438 T517 | Q438-A519 WeakPolarHBondContact O-CB 3.46Å; T517-A519 PolarHBondContact O-N 3.27Å; T517-A519 PolarHBondContact OG1-N 2.83Å |
| 520 | G | 75.8 | Confident | 87.3 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 26% | 0.258 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.7 | -168.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | R516 T517 | R516-G520 CarbonylContact C-O 3.21Å; R516-G520 WeakPolarHBondContact CA-O 3.43Å; T517-G520 PolarHBondContact N-O 2.9Å; T517-G520 PolarHBondContact O-N 3.17Å |
| 521 | Y | 82.3 | Confident | 87.1 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 26% | 0.263 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 143.7 | 178.9 | -66.6 | -91.6 | 0 | 0 | 0 | 111.3 | E475 R492 R514 A515 R516 | E475-Y521 HydrophobicContact CB-CD1 4.49Å; E475-Y521 HydrophobicContact CB-CE1 3.87Å; E475-Y521 VanDerWaalsContact CD-CE1 3.48Å; E475-Y521 HydrophobicContact CG-CE1 4.33Å; E475-Y521 VanDerWaalsContact OE2-CE1 3.3Å; E475-Y521 WeakPolarHBondContact OE2-CE1 3.42Å; E475-Y521 VanDerWaalsContact OE2-CZ 3.27Å; E475-Y521 PolarHBondContact OE2-OH 3.21Å; R492-Y521 VanDerWaalsContact CZ-OH 3.27Å; R492-Y521 PolarHBondContact NH2-OH 3.12Å; R492-Y521 VanDerWaalsContact NH2-OH 3.12Å; R514-Y521 HydrophobicContact CG-CD1 3.99Å; A515-Y521 WeakPolarHBondContact O-CA 3.28Å; R516-Y521 HydrophobicContact CB-CD1 3.84Å; R516-Y521 HydrophobicContact CB-CE1 4.13Å; R516-Y521 HydrophobicContact CB-CG 4.34Å; R516-Y521 HydrophobicContact CG-CD1 4.25Å; R516-Y521 HydrophobicContact CG-CE1 4.44Å; R516-Y521 HydrophobicContact CG-CG 4.36Å |
| 522 | G | 84.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | trans | -76.5 | 175.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P441 R514 A515 | P441-G522 WeakPolarHBondContact O-CA 3.48Å; R514-G522 WeakPolarHBondContact CB-O 3.46Å; R514-G522 WeakPolarHBondContact CD-O 3.4Å; A515-G522 PolarHBondContact O-N 3.07Å | ||
| 523 | D | 87.4 | Confident | 86.1 | Confident | 124 Ų | 124 | 50.8 Ų | 50.8 | 66% | 0.663 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 154.5 | 173.5 | -64.1 | -55.8 | 0 | 0 | 0 | 112 | R514 | R514-D523 WeakPolarHBondContact CB-O 3.39Š|
| 524 | F | 90.6 | Very high | 85.2 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 27% | 0.272 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 148.2 | 174 | -81.5 | -69 | 0 | 0 | 0 | 111.6 | K477 H512 R514 | K477-F524 HydrophobicContact CB-CD1 4.42Å; K477-F524 HydrophobicContact CB-CE1 3.6Å; K477-F524 HydrophobicContact CB-CZ 3.78Å; K477-F524 HydrophobicContact CD-CE1 4.47Å; K477-F524 HydrophobicContact CD-CE2 4.21Å; K477-F524 HydrophobicContact CD-CZ 4.01Å; K477-F524 HydrophobicContact CG-CZ 4.48Å; H512-F524 HydrophobicContact CB-CB 4.03Å; H512-F524 HydrophobicContact CB-CD1 3.57Å; H512-F524 HydrophobicContact CB-CE1 4.31Å; H512-F524 HydrophobicContact CB-CG 4.02Å; R514-F524 HydrophobicContact CB-CD1 3.98Å; R514-F524 HydrophobicContact CB-CE1 4.28Å; R514-F524 HydrophobicContact CB-CG 4.44Å; R514-F524 VanDerWaalsContact CD-CZ 3.48Å; R514-F524 HydrophobicContact CG-CD1 3.84Å; R514-F524 HydrophobicContact CG-CE1 3.61Å; R514-F524 HydrophobicContact CG-CG 4.48Å; R514-F524 HydrophobicContact CG-CZ 4.08Å; R514-F524 VanDerWaalsContact NE-CZ 3.3Å |
| 525 | S | 92.1 | Very high | 84.2 | Confident | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 161.8 | 166.5 | 71.3 | 0 | 0 | 0 | 0 | 111.7 | I444 V447 H512 V513 | I444-S525 VanDerWaalsContact O-CB 3.22Å; I444-S525 WeakPolarHBondContact O-CB 3.26Å; V447-S525 WeakPolarHBondContact CG2-OG 3.34Å; H512-S525 WeakPolarHBondContact CA-OG 3.37Å; H512-S525 PolarHBondContact ND1-O 2.62Å; V513-S525 PolarHBondContact N-OG 2.96Å; V513-S525 WeakPolarHBondContact O-CB 3.07Å; V513-S525 PolarHBondContact O-N 2.91Å |
| 526 | E | 89.2 | Confident | 82.7 | Confident | 159 Ų | 159 | 60.5 Ų | 60.5 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 149.8 | 161.3 | -65.3 | -55.3 | 140.3 | 0 | 0 | 111.6 | L528 | E526-L528 PolarHBondContact O-N 3.01Š|
| 527 | P | 90.2 | Very high | 81 | Confident | 74 Ų | 74 | 59 Ų | 59 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 122.1 | -178 | 25.1 | -32.4 | 0 | 0 | 0 | 112.1 | V510 | V510-P527 HydrophobicContact CG1-CB 3.48Å; V510-P527 VanDerWaalsContact CG1-CB 3.48Å |
| 528 | L | 91.8 | Very high | 79.1 | Confident | 42 Ų | 42 | 70.3 Ų | 70.3 | 22% | 0.22 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.6 | 166.9 | 176.4 | 66.9 | 0 | 0 | 0 | 109.6 | V447 L459 V510 F511 E526 V530 | V447-L528 HydrophobicContact CB-CD2 4.38Å; V447-L528 HydrophobicContact CG1-CD2 3.88Å; L459-L528 HydrophobicContact CD2-CD2 3.8Å; V510-L528 CarbonylContact C-O 3.42Å; V510-L528 WeakPolarHBondContact CA-O 3.27Å; F511-L528 HydrophobicContact CB-CB 4.49Å; F511-L528 PolarHBondContact N-O 3Å; F511-L528 PolarHBondContact O-N 3.07Å; E526-L528 PolarHBondContact O-N 3.01Å; L528-V530 HydrophobicContact CD2-CG2 4.17Å; L528-V530 HydrophobicContact CG-CG2 3.94Å |
| 529 | E | 91.6 | Very high | 77.4 | Confident | 94 Ų | 94 | 72.9 Ų | 72.9 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.1 | 174.2 | -173.5 | 175.2 | 168.7 | 0 | 0 | 111.6 | K481 S508 Y509 | K481-E529 VanDerWaalsContact CD-CD 3.48Å; K481-E529 HydrophobicContact CD-CG 4.46Å; K481-E529 WeakPolarHBondContact CD-OE1 3.41Å; K481-E529 IonicContact NZ-OE1 3.74Å; K481-E529 PolarHBondContact NZ-OE1 3.44Å; K481-E529 IonicContact NZ-OE2 2.66Å; K481-E529 PolarHBondContact NZ-OE2 2.85Å; S508-E529 WeakPolarHBondContact OG-CG 3.38Å; S508-E529 PolarHBondContact OG-OE1 2.66Å; Y509-E529 WeakPolarHBondContact O-CA 3.17Å |
| 530 | V | 89.6 | Confident | 75.9 | Confident | 16 Ų | 16 | 78.3 Ų | 78.3 | 10% | 0.097 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 130.3 | 178.2 | -163.4 | 0 | 0 | 0 | 0 | 110.5 | A449 V452 V457 Y509 F511 L528 | A449-V530 HydrophobicContact CB-CG1 4.2Å; A449-V530 HydrophobicContact CB-CG2 3.96Å; V452-V530 HydrophobicContact CG2-CG1 3.65Å; V457-V530 HydrophobicContact CG1-CB 4.33Å; V457-V530 HydrophobicContact CG1-CG1 4.1Å; V457-V530 HydrophobicContact CG1-CG2 4.28Å; V457-V530 HydrophobicContact CG2-CB 4.39Å; V457-V530 HydrophobicContact CG2-CG1 4.04Å; Y509-V530 PolarHBondContact N-O 2.77Å; Y509-V530 PolarHBondContact O-N 3.24Å; F511-V530 HydrophobicContact CD2-CB 4.36Å; F511-V530 HydrophobicContact CD2-CG2 3.92Å; F511-V530 HydrophobicContact CE2-CB 3.88Å; F511-V530 HydrophobicContact CE2-CG2 3.91Å; L528-V530 HydrophobicContact CD2-CG2 4.17Å; L528-V530 HydrophobicContact CG-CG2 3.94Å |
| 531 | T | 87.4 | Confident | 73.9 | Confident | 77 Ų | 77 | 80.2 Ų | 80.2 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 130 | 174.6 | -44.9 | 0 | 0 | 0 | 0 | 111 | V452 T507 | V452-T531 WeakPolarHBondContact CG1-O 3.37Å; T507-T531 WeakPolarHBondContact O-CA 3.23Å |
| 532 | T | 84 | Confident | 71.4 | Confident | 2 Ų | 2 | 85.6 Ų | 85.6 | 1% | 0.012 | 46% | 0.464 | C | S | . | . | trans | -67.1 | 152.3 | 175.4 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | V457 L503 N504 P505 L506 T507 Y509 | V457-T532 HydrophobicContact CG2-CG2 4.25Å; L503-T532 HydrophobicContact CB-CG2 3.79Å; L503-T532 HydrophobicContact CD1-CG2 3.75Å; L503-T532 HydrophobicContact CG-CG2 4.44Å; N504-T532 WeakPolarHBondContact O-CB 3.28Å; N504-T532 PolarHBondContact O-OG1 3.05Å; P505-T532 VanDerWaalsContact C-OG1 3.27Å; P505-T532 WeakPolarHBondContact CA-OG1 3.19Å; L506-T532 VanDerWaalsContact CA-O 3.31Å; L506-T532 WeakPolarHBondContact CA-O 3.45Å; L506-T532 PolarHBondContact N-O 3.04Å; L506-T532 PolarHBondContact N-OG1 3.15Å; T507-T532 PolarHBondContact N-OG1 2.93Å; T507-T532 PolarHBondContact O-N 2.85Å; T507-T532 VanDerWaalsContact O-N 3.1Å; T507-T532 PolarHBondContact O-OG1 3Å; Y509-T532 HydrophobicContact CD2-CG2 4.24Å; Y509-T532 HydrophobicContact CE2-CG2 4.26Å | ||
| 533 | N | 80.6 | Confident | 68.9 | Low | 51 Ų | 51 | 88.4 Ų | 88.4 | 27% | 0.273 | 49% | 0.493 | S | S | . | . | trans | -111.3 | -143.9 | -173.4 | 68.8 | 28.9 | 0 | 0 | 0 | 113 | V452 T453 R454 V535 | V452-N533 HydrophobicContact CG1-CB 4.41Å; V452-N533 PolarHBondContact O-ND2 2.83Å; T453-N533 WeakPolarHBondContact CA-OD1 3.29Å; T453-N533 PolarHBondContact O-N 3.11Å; T453-N533 PolarHBondContact O-OD1 2.89Å; R454-N533 VanDerWaalsContact CA-O 3.22Å; R454-N533 WeakPolarHBondContact CA-O 3.34Å; R454-N533 WeakPolarHBondContact CB-O 3.5Å; R454-N533 PolarHBondContact N-OD1 2.89Å; N533-V535 PolarHBondContact OD1-N 3.06Å | ||
| 534 | T | 74.1 | Confident | 66.2 | Low | 93 Ų | 93 | 86.9 Ų | 86.9 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -119.4 | 10.3 | -177.3 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | R454 L506 | R454-T534 VanDerWaalsContact CZ-O 3.23Å; R454-T534 PolarHBondContact NE-O 2.92Å; R454-T534 PolarHBondContact NH2-O 3.47Å; L506-T534 HydrophobicContact CD2-CG2 4.19Å; L506-T534 HydrophobicContact CG-CG2 4.5Å |
| 535 | V | 71.4 | Confident | 63.6 | Low | 72 Ų | 72 | 91.4 Ų | 91.4 | 44% | 0.436 | 53% | 0.525 | S | S | . | . | trans | -80 | 128.9 | 179 | -178.3 | 0 | 0 | 0 | 0 | 112 | T453 R454 N533 | T453-V535 WeakPolarHBondContact CB-O 3.37Å; R454-V535 VanDerWaalsContact CB-O 3.31Å; R454-V535 WeakPolarHBondContact CB-O 3.16Å; R454-V535 WeakPolarHBondContact CG-O 3.1Å; R454-V535 PolarHBondContact N-O 2.94Å; N533-V535 PolarHBondContact OD1-N 3.06Å | ||
| 536 | P | 58.3 | Low | 60.9 | Low | 94 Ų | 94 | 94.8 Ų | 94.8 | 61% | 0.61 | 55% | 0.548 | S | S | * | . | trans | -69.1 | 149.9 | -177 | -14.8 | 27.4 | 0 | 0 | 0 | 115.3 | ||||
| 537 | S | 50.7 | Low | 58.4 | Low | 39 Ų | 39 | 93.5 Ų | 93.5 | 27% | 0.273 | 55% | 0.551 | S | S | . | * | trans | -123.8 | 154.4 | -177.9 | -27.6 | 0 | 0 | 0 | 0 | 112 | T453 | T453-S537 PolarHBondContact OG1-OG 2.82Š| ||
| 538 | R | 44.6 | Very low | 55.8 | Low | 238 Ų | 238 | 95.9 Ų | 95.9 | 90% | 0.898 | 56% | 0.564 | S | S | * | * | trans | -114.8 | 146.6 | 179.9 | -62 | 179.7 | -179.1 | 175.2 | 0.1 | 111.8 | ||||
| 539 | I | 40.4 | Very low | 53 | Low | 132 Ų | 132 | 101 Ų | 101 | 68% | 0.677 | 59% | 0.591 | S | S | * | * | trans | -137.1 | 133.3 | -173.5 | -56.6 | 177.7 | 0 | 0 | 0 | 112.1 | ||||
| 540 | I | 36.4 | Very low | 50.3 | Low | 173 Ų | 173 | 103 Ų | 103 | 89% | 0.887 | 60% | 0.604 | S | S | * | * | trans | -141.5 | 153.3 | 152.6 | -59.3 | -176.8 | 0 | 0 | 0 | 105.6 | ||||
| 541 | G | 34.2 | Very low | 47.8 | Very low | 64 Ų | 64 | 108.5 Ų | 108.5 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | trans | -157.5 | -148.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 542 | D | 30.7 | Very low | 45.3 | Very low | 180 Ų | 180 | 110 Ų | 110 | 96% | 0.963 | 65% | 0.651 | S | S | * | * | trans | 79.2 | 146.3 | -172.5 | -140 | 25.1 | 0 | 0 | 0 | 114.7 | ||||
| 543 | G | 30.8 | Very low | 43.3 | Very low | 64 Ų | 64 | 116.2 Ų | 116.2 | 66% | 0.66 | 69% | 0.689 | S | S | * | * | cis | -161.7 | 174.7 | -0.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 544 | A | 30.6 | Very low | 41.3 | Very low | 92 Ų | 92 | 119.7 Ų | 119.7 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | trans | -93.1 | -165 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 545 | N | 37.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 118.4 Ų | 118.4 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | cis | -170.9 | -176.9 | 19.1 | -117.3 | -17.5 | 0 | 0 | 0 | 107.5 | ||||
| 546 | S | 35.9 | Very low | 39.2 | Very low | 77 Ų | 77 | 120 Ų | 120 | 54% | 0.538 | 74% | 0.736 | S | S | . | * | cis | -175.1 | 146.2 | -18 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 547 | T | 36.4 | Very low | 38.8 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | 60.2 | -174.1 | 157.4 | 49.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 548 | V | 35.1 | Very low | 39.1 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | cis | -158.3 | 169.6 | 8.1 | 83 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 549 | L | 33.4 | Very low | 39.5 | Very low | 148 Ų | 148 | 118.6 Ų | 118.6 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | cis | -152.9 | -159.7 | 8.2 | -135.8 | -151.3 | 0 | 0 | 0 | 112.5 | ||||
| 550 | L | 34.5 | Very low | 40.3 | Very low | 138 Ų | 138 | 116.6 Ų | 116.6 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | trans | -85.1 | 169.2 | 175.1 | -69.6 | 166.9 | 0 | 0 | 0 | 113.3 | ||||
| 551 | V | 37.6 | Very low | 41.3 | Very low | 131 Ų | 131 | 112.9 Ų | 112.9 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | cis | 98.7 | 117.8 | 26.9 | 173.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 552 | S | 34.3 | Very low | 42.7 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | trans | -175.3 | 124.3 | 157.4 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 553 | V | 42.4 | Very low | 43.9 | Very low | 132 Ų | 132 | 111.8 Ų | 111.8 | 80% | 0.8 | 70% | 0.702 | S | S | * | * | 80.1 | 102.2 | 54 | -178 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 554 | S | 38.6 | Very low | 45.4 | Very low | 123 Ų | 123 | 114 Ų | 114 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | trans | -160.4 | 134.2 | 143.2 | 62 | 0 | 0 | 0 | 0 | 110 | ||||
| 555 | G | 50.2 | Low | 46.7 | Very low | 67 Ų | 67 | 111.9 Ų | 111.9 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | trans | -150.6 | 28.1 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 556 | S | 50 | Low | 47.6 | Very low | 104 Ų | 104 | 107.1 Ų | 107.1 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | trans | -101.4 | -3 | -160.2 | -44.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 557 | V | 51.6 | Low | 48.6 | Very low | 118 Ų | 118 | 109.4 Ų | 109.4 | 72% | 0.715 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -92.9 | -33.9 | -171.6 | -177.9 | 0 | 0 | 0 | 0 | 113.2 | L559 | V557-L559 PolarHBondContact O-N 3.02Š|
| 558 | V | 55.2 | Low | 49.8 | Very low | 103 Ų | 103 | 107.1 Ų | 107.1 | 62% | 0.624 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.8 | -34.9 | -171.5 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | V560 V561 I562 | V558-V560 VanDerWaalsContact C-N 3.33Å; V558-V560 PolarHBondContact O-N 3.01Å; V558-V561 PolarHBondContact O-N 3.27Å; V558-I562 HydrophobicContact CG1-CD1 4Å; V558-I562 PolarHBondContact O-N 2.92Å |
| 559 | L | 53.1 | Low | 50.8 | Low | 122 Ų | 122 | 106.1 Ų | 106.1 | 64% | 0.639 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69 | -30.8 | -170.4 | -144 | 152.9 | 0 | 0 | 0 | 112.6 | V557 L563 | V557-L559 PolarHBondContact O-N 3.02Å; L559-L563 HydrophobicContact CD2-CD1 4.29Å; L559-L563 PolarHBondContact O-N 3.1Å |
| 560 | V | 57 | Low | 51.9 | Low | 90 Ų | 90 | 102.2 Ų | 102.2 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69 | -39 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | V558 I562 L563 I564 | V558-V560 VanDerWaalsContact C-N 3.33Å; V558-V560 PolarHBondContact O-N 3.01Å; V560-I562 PolarHBondContact O-N 3.19Å; V560-L563 PolarHBondContact O-N 3.46Å; V560-I564 HydrophobicContact CG1-CD1 4.25Å; V560-I564 PolarHBondContact O-N 3.15Å |
| 561 | V | 58.9 | Low | 52.5 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.8 | -39.1 | -179.6 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | V558 L563 I564 A565 | V558-V561 PolarHBondContact O-N 3.27Å; V561-L563 PolarHBondContact O-N 3.48Å; V561-I564 PolarHBondContact O-N 3.06Å; V561-A565 PolarHBondContact O-N 3.08Å |
| 562 | I | 62.2 | Low | 53.1 | Low | 106 Ų | 106 | 107.9 Ų | 107.9 | 54% | 0.544 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.5 | -41 | 178.9 | -66.4 | 171.2 | 0 | 0 | 0 | 111.5 | V558 V560 A565 A566 | V558-I562 HydrophobicContact CG1-CD1 4Å; V558-I562 PolarHBondContact O-N 2.92Å; V560-I562 PolarHBondContact O-N 3.19Å; I562-A565 PolarHBondContact O-N 3.4Å; I562-A566 PolarHBondContact O-N 2.83Å |
| 563 | L | 56.4 | Low | 53.8 | Low | 115 Ų | 115 | 112.4 Ų | 112.4 | 60% | 0.602 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66 | -38.8 | 178.9 | -68.8 | 171 | 0 | 0 | 0 | 112.4 | L559 V560 V561 A566 F567 | L559-L563 HydrophobicContact CD2-CD1 4.29Å; L559-L563 PolarHBondContact O-N 3.1Å; V560-L563 PolarHBondContact O-N 3.46Å; V561-L563 PolarHBondContact O-N 3.48Å; L563-A566 PolarHBondContact O-N 2.8Å; L563-F567 PolarHBondContact O-N 3.17Å; L563-F567 VanDerWaalsContact O-N 3.12Å |
| 564 | I | 61.9 | Low | 53.9 | Low | 110 Ų | 110 | 110.3 Ų | 110.3 | 56% | 0.564 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.5 | -42.2 | 175.7 | -64.3 | 169.8 | 0 | 0 | 0 | 110.6 | V560 V561 A566 F567 V568 | V560-I564 HydrophobicContact CG1-CD1 4.25Å; V560-I564 PolarHBondContact O-N 3.15Å; V561-I564 PolarHBondContact O-N 3.06Å; I564-A566 PolarHBondContact O-N 3Å; I564-F567 PolarHBondContact O-N 3.35Å; I564-V568 WeakPolarHBondContact O-CG2 3.45Å; I564-V568 PolarHBondContact O-N 2.81Å; I564-V568 VanDerWaalsContact O-N 3.16Å |
| 565 | A | 58.5 | Low | 54.2 | Low | 49 Ų | 49 | 113.3 Ų | 113.3 | 41% | 0.405 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -61.3 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V561 I562 F567 V568 I569 | V561-A565 PolarHBondContact O-N 3.08Å; I562-A565 PolarHBondContact O-N 3.4Å; A565-F567 VanDerWaalsContact C-N 3.35Å; A565-F567 PolarHBondContact O-N 3.22Å; A565-V568 PolarHBondContact O-N 2.75Å; A565-I569 WeakPolarHBondContact O-CG1 3.34Å; A565-I569 PolarHBondContact O-N 3.23Å |
| 566 | A | 56 | Low | 53.7 | Low | 57 Ų | 57 | 120.2 Ų | 120.2 | 47% | 0.471 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.8 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I562 L563 I564 I569 S570 | I562-A566 PolarHBondContact O-N 2.83Å; L563-A566 PolarHBondContact O-N 2.8Å; I564-A566 PolarHBondContact O-N 3Å; A566-I569 PolarHBondContact O-N 3.41Å; A566-S570 PolarHBondContact O-N 2.91Å |
| 567 | F | 57 | Low | 53.3 | Low | 125 Ų | 125 | 119.9 Ų | 119.9 | 55% | 0.548 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.6 | -35.9 | 177.8 | -171.6 | -102.4 | 0 | 0 | 0 | 113.3 | L563 I564 A565 S570 R571 | L563-F567 PolarHBondContact O-N 3.17Å; L563-F567 VanDerWaalsContact O-N 3.12Å; I564-F567 PolarHBondContact O-N 3.35Å; A565-F567 VanDerWaalsContact C-N 3.35Å; A565-F567 PolarHBondContact O-N 3.22Å; F567-S570 PolarHBondContact O-OG 2.78Å; F567-S570 VanDerWaalsContact O-OG 3.05Å; F567-R571 PolarHBondContact O-N 2.65Å |
| 568 | V | 61.1 | Low | 52.5 | Low | 84 Ų | 84 | 121.1 Ų | 121.1 | 51% | 0.509 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.1 | -38.9 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | I564 A565 R572 | I564-V568 WeakPolarHBondContact O-CG2 3.45Å; I564-V568 PolarHBondContact O-N 2.81Å; I564-V568 VanDerWaalsContact O-N 3.16Å; A565-V568 PolarHBondContact O-N 2.75Å; V568-R572 PolarHBondContact O-N 2.89Å |
| 569 | I | 57.8 | Low | 51.8 | Low | 103 Ų | 103 | 120.5 Ų | 120.5 | 53% | 0.528 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.2 | -39.2 | 179.7 | -68.1 | 168.2 | 0 | 0 | 0 | 111.5 | A565 A566 R572 R573 | A565-I569 WeakPolarHBondContact O-CG1 3.34Å; A565-I569 PolarHBondContact O-N 3.23Å; A566-I569 PolarHBondContact O-N 3.41Å; I569-R572 PolarHBondContact O-N 3.4Å; I569-R573 PolarHBondContact O-N 3.39Å; I569-R573 VanDerWaalsContact O-N 3.14Å |
| 570 | S | 54.6 | Low | 51 | Low | 66 Ų | 66 | 123.9 Ų | 123.9 | 46% | 0.462 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.6 | -43.7 | 176.7 | 70.4 | 0 | 0 | 0 | 0 | 111.9 | A566 F567 R572 R573 S574 | A566-S570 PolarHBondContact O-N 2.91Å; F567-S570 PolarHBondContact O-OG 2.78Å; F567-S570 VanDerWaalsContact O-OG 3.05Å; S570-R572 VanDerWaalsContact C-N 3.28Å; S570-R572 PolarHBondContact O-N 3.21Å; S570-R573 PolarHBondContact O-N 2.71Å; S570-S574 PolarHBondContact O-N 3.34Å; S570-S574 VanDerWaalsContact O-N 3.12Å |
| 571 | R | 47.4 | Very low | 50 | Low | 178 Ų | 178 | 126.9 Ų | 126.9 | 67% | 0.672 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.1 | -29.5 | 174.6 | -89.8 | -173.7 | 162.8 | -170.6 | -4.1 | 113.7 | F567 | F567-R571 PolarHBondContact O-N 2.65Å |
| 572 | R | 51.5 | Low | 48.9 | Very low | 211 Ų | 211 | 129 Ų | 129 | 80% | 0.796 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.1 | -30.9 | 173.6 | -85.1 | -170.4 | 169.1 | -171.6 | -3 | 113.9 | V568 I569 S570 | V568-R572 PolarHBondContact O-N 2.89Å; I569-R572 PolarHBondContact O-N 3.4Å; S570-R572 VanDerWaalsContact C-N 3.28Å; S570-R572 PolarHBondContact O-N 3.21Å |
| 573 | R | 48.3 | Very low | 47.5 | Very low | 203 Ų | 203 | 128.2 Ų | 128.2 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.7 | -32.4 | 174.5 | -74.9 | -172.7 | 171.4 | -178.6 | -2.4 | 113.4 | I569 S570 K575 Y576 | I569-R573 PolarHBondContact O-N 3.39Å; I569-R573 VanDerWaalsContact O-N 3.14Å; S570-R573 PolarHBondContact O-N 2.71Å; R573-K575 PolarHBondContact O-N 3.13Å; R573-Y576 PolarHBondContact O-N 3.06Å |
| 574 | S | 43.8 | Very low | 46.5 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 62% | 0.615 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -59.5 | -30.7 | 177 | 178.5 | 0 | 0 | 0 | 0 | 113.8 | S570 | S570-S574 PolarHBondContact O-N 3.34Å; S570-S574 VanDerWaalsContact O-N 3.12Å |
| 575 | K | 44.8 | Very low | 45.1 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 81% | 0.809 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 3.6 | -178.8 | -77 | -160.3 | 171 | -165.2 | 0 | 116 | R573 | R573-K575 PolarHBondContact O-N 3.13Š|
| 576 | Y | 40.2 | Very low | 43.9 | Very low | 212 Ų | 212 | 139 Ų | 139 | 83% | 0.831 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -10.2 | 172.2 | -145.9 | -99.6 | 0 | 0 | 0 | 113.4 | R573 K578 | R573-Y576 PolarHBondContact O-N 3.06Å; Y576-K578 VanDerWaalsContact C-N 3.3Å; Y576-K578 PolarHBondContact O-N 3.2Å |
| 577 | S | 41.3 | Very low | 42.8 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 3.5 | 175.3 | -165.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 578 | K | 35.2 | Very low | 41.8 | Very low | 145 Ų | 145 | 148 Ų | 148 | 63% | 0.63 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 25.4 | -173.1 | -130.1 | -173.7 | 178.2 | -98.9 | 0 | 114.1 | Y576 E582 | Y576-K578 VanDerWaalsContact C-N 3.3Å; Y576-K578 PolarHBondContact O-N 3.2Å; K578-E582 IonicContact NZ-OE1 2.72Å |
| 579 | A | 39.8 | Very low | 40.5 | Very low | 90 Ų | 90 | 151.8 Ų | 151.8 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -122.3 | 22.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 580 | K | 37.3 | Very low | 39.1 | Very low | 193 Ų | 193 | 154.3 Ų | 154.3 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -139.6 | 23.6 | 177.7 | -155 | -172.8 | 172.8 | 179.5 | 0 | 112.4 | ||
| 581 | Q | 36 | Very low | 38.1 | Very low | 152 Ų | 152 | 161 Ų | 161 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -143 | 21.4 | -179.2 | -154.4 | 171.5 | 2.2 | 0 | 0 | 111.8 | ||
| 582 | E | 35 | Very low | 37.5 | Very low | 140 Ų | 140 | 155.2 Ų | 155.2 | 65% | 0.654 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -126.5 | 24.5 | 175.1 | -67.2 | 174.4 | -178 | 0 | 0 | 109.5 | K578 | K578-E582 IonicContact NZ-OE1 2.72Š|
| 583 | A | 33.9 | Very low | 37 | Very low | 88 Ų | 88 | 150.8 Ų | 150.8 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -120.5 | -6.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 584 | D | 35.9 | Very low | 37.3 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -103.7 | -11.8 | 178 | -89.7 | -40 | 0 | 0 | 0 | 113.3 | ||
| 585 | E | 31.9 | Very low | 38.6 | Very low | 174 Ų | 174 | 151 Ų | 151 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -101.7 | -3.9 | -179.1 | -75.7 | -168.3 | 130.6 | 0 | 0 | 114.8 | K587 | E585-K587 VanDerWaalsContact C-N 3.33Å; E585-K587 PolarHBondContact O-N 3.3Å |
| 586 | E | 33.3 | Very low | 40.2 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 37.6 | 173.3 | -152.6 | 178.3 | -161.7 | 0 | 0 | 113.2 | ||
| 587 | K | 33.2 | Very low | 42 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 5.6 | 173.2 | -121.3 | 173.5 | -175.6 | 174.4 | 0 | 115.2 | E585 | E585-K587 VanDerWaalsContact C-N 3.33Å; E585-K587 PolarHBondContact O-N 3.3Å |
| 588 | H | 36.4 | Very low | 43.5 | Very low | 179 Ų | 179 | 133.9 Ų | 133.9 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -120.5 | 12.5 | -178.8 | -88.7 | -88.7 | 0 | 0 | 0 | 115.2 | ||
| 589 | L | 32.1 | Very low | 45 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 86% | 0.864 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -135.4 | 48.5 | 172.5 | -157.8 | 72.7 | 0 | 0 | 0 | 113.8 | ||
| 590 | N | 29.4 | Very low | 46.3 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 83% | 0.829 | 64% | 0.637 | S | S | * | * | trans | -147.6 | 93.3 | 160 | -103.3 | -44.6 | 0 | 0 | 0 | 109.8 | G592 | N590-G592 PolarHBondContact O-N 2.89Š| ||
| 591 | Q | 33.4 | Very low | 47.7 | Very low | 206 Ų | 206 | 122.2 Ų | 122.2 | 96% | 0.963 | 63% | 0.627 | S | S | * | * | trans | -80.3 | 51.5 | 172 | -162.5 | 170.9 | 4.9 | 0 | 0 | 110.6 | ||||
| 592 | G | 34.6 | Very low | 48.8 | Very low | 57 Ų | 57 | 116.9 Ų | 116.9 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | trans | -68.7 | 153 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | N590 R594 | N590-G592 PolarHBondContact O-N 2.89Å; G592-R594 PolarHBondContact O-N 3.09Å | ||
| 593 | V | 41.1 | Very low | 50.1 | Low | 119 Ų | 119 | 120 Ų | 120 | 72% | 0.721 | 62% | 0.615 | S | S | * | * | trans | -60.3 | 125.2 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | T595 | V593-T595 VanDerWaalsContact C-N 3.28Å; V593-T595 PolarHBondContact O-N 2.86Å | ||
| 594 | R | 55.5 | Low | 51.7 | Low | 217 Ų | 217 | 118.3 Ų | 118.3 | 82% | 0.819 | 59% | 0.594 | S | S | * | * | trans | -81.7 | 74.6 | -177.4 | -161.4 | 179.1 | -167 | -177.2 | 1.8 | 109.7 | G592 M740 | G592-R594 PolarHBondContact O-N 3.09Å; R594-M740 WeakPolarHBondContact O-CE 3.49Å | ||
| 595 | T | 70.8 | Confident | 53.2 | Low | 77 Ų | 77 | 112 Ų | 112 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | trans | -62.6 | 146.4 | -179.9 | -44.8 | 0 | 0 | 0 | 0 | 111.5 | V593 | V593-T595 VanDerWaalsContact C-N 3.28Å; V593-T595 PolarHBondContact O-N 2.86Å | ||
| 596 | Y | 78 | Confident | 55.2 | Low | 35 Ų | 35 | 105.1 Ų | 105.1 | 14% | 0.137 | 53% | 0.529 | C | S | . | . | trans | -56.6 | 139.3 | 168.8 | 166.4 | -98.6 | 0 | 0 | 0 | 111.7 | D598 P599 I673 F677 M740 Y742 | Y596-D598 HydrophobicContact CE1-CB 3.92Å; Y596-P599 VanDerWaalsContact OH-CD 3.27Å; Y596-P599 WeakPolarHBondContact OH-CD 3.43Å; Y596-I673 HydrophobicContact CE2-CG1 4.3Å; Y596-I673 HydrophobicContact CE2-CG2 4.21Å; Y596-F677 HydrophobicContact CD2-CE1 4.04Å; Y596-F677 AromaticContact CD2-CZ 3.83Å; Y596-F677 HydrophobicContact CD2-CZ 3.83Å; Y596-F677 HydrophobicContact CE2-CZ 4.25Å; Y596-M740 WeakPolarHBondContact CB-O 3.47Å; Y596-M740 PolarHBondContact N-O 2.98Å; Y596-Y742 AromaticContact CD1-CD2 3.88Å; Y596-Y742 HydrophobicContact CD1-CD2 3.88Å; Y596-Y742 AromaticContact CD2-CD2 3.71Å; Y596-Y742 HydrophobicContact CD2-CD2 3.71Å; Y596-Y742 HydrophobicContact CD2-CE2 4.34Å; Y596-Y742 AromaticContact CE1-CD2 3.77Å; Y596-Y742 HydrophobicContact CE1-CD2 3.77Å; Y596-Y742 HydrophobicContact CE1-CE2 4.13Å; Y596-Y742 AromaticContact CE2-CD2 3.59Å; Y596-Y742 HydrophobicContact CE2-CD2 3.59Å; Y596-Y742 AromaticContact CE2-CE2 3.76Å; Y596-Y742 HydrophobicContact CE2-CE2 3.76Å; Y596-Y742 AromaticContact CG-CD2 3.84Å; Y596-Y742 HydrophobicContact CG-CD2 3.84Å; Y596-Y742 AromaticContact CZ-CD2 3.61Å; Y596-Y742 AromaticContact CZ-CE2 3.63Å | ||
| 597 | V | 77.7 | Confident | 57.3 | Low | 62 Ų | 62 | 101.1 Ų | 101.1 | 38% | 0.376 | 51% | 0.511 | S | S | . | . | trans | -112.2 | 123.6 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | P599 Y602 F612 Q676 | V597-P599 VanDerWaalsContact O-CD 3.23Å; V597-P599 WeakPolarHBondContact O-CD 3.38Å; V597-Y602 HydrophobicContact CG1-CE2 4.14Å; V597-F612 HydrophobicContact CB-CZ 4.24Å; V597-F612 HydrophobicContact CG1-CZ 4.43Å; V597-Q676 PolarHBondContact O-NE2 3.42Å; V597-Q676 PolarHBondContact O-OE1 2.86Å | ||
| 598 | D | 72.1 | Confident | 59.4 | Low | 40 Ų | 40 | 92 Ų | 92 | 21% | 0.214 | 47% | 0.471 | C | S | . | . | trans | -70.7 | 117.8 | -179.3 | -167.4 | -30.9 | 0 | 0 | 0 | 111.2 | Y596 F600 T601 | Y596-D598 HydrophobicContact CE1-CB 3.92Å; D598-F600 PolarHBondContact O-N 3.11Å; D598-F600 VanDerWaalsContact O-N 3.11Å; D598-F600 WeakPolarHBondContact OD1-CB 3.46Å; D598-F600 VanDerWaalsContact OD1-CD2 3.25Å; D598-F600 WeakPolarHBondContact OD1-CD2 3.46Å; D598-F600 PolarHBondContact OD1-N 2.92Å; D598-T601 HydrophobicContact CB-CG2 4.31Å; D598-T601 WeakPolarHBondContact O-CB 3.39Å; D598-T601 PolarHBondContact O-N 3.26Å; D598-T601 PolarHBondContact O-OG1 2.91Å | ||
| 599 | P | 67 | Low | 61.6 | Low | 3 Ų | 3 | 83.8 Ų | 83.8 | 2% | 0.019 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -59.9 | -19.9 | 178.4 | -27 | 38.9 | 0 | 0 | 0 | 114.6 | Y596 V597 T601 Y602 A608 I673 | Y596-P599 VanDerWaalsContact OH-CD 3.27Å; Y596-P599 WeakPolarHBondContact OH-CD 3.43Å; V597-P599 VanDerWaalsContact O-CD 3.23Å; V597-P599 WeakPolarHBondContact O-CD 3.38Å; P599-T601 PolarHBondContact O-N 2.92Å; P599-Y602 PolarHBondContact O-N 2.81Å; P599-A608 HydrophobicContact CB-CB 3.94Å; P599-I673 HydrophobicContact CG-CG1 4Å |
| 600 | F | 66.8 | Low | 64.1 | Low | 77 Ų | 77 | 83.7 Ų | 83.7 | 34% | 0.338 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -71.8 | -5.5 | 173.9 | -65 | -67.6 | 0 | 0 | 0 | 113.5 | D598 Y602 S669 V770 | D598-F600 PolarHBondContact O-N 3.11Å; D598-F600 VanDerWaalsContact O-N 3.11Å; D598-F600 WeakPolarHBondContact OD1-CB 3.46Å; D598-F600 VanDerWaalsContact OD1-CD2 3.25Å; D598-F600 WeakPolarHBondContact OD1-CD2 3.46Å; D598-F600 PolarHBondContact OD1-N 2.92Å; F600-Y602 VanDerWaalsContact C-N 3.25Å; F600-S669 WeakPolarHBondContact CZ-OG 3.45Å; F600-V770 HydrophobicContact CB-CG2 4.19Å |
| 601 | T | 67.3 | Low | 66.6 | Low | 102 Ų | 102 | 81.9 Ų | 81.9 | 63% | 0.626 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -76.6 | -8.4 | 168.2 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | D598 P599 | D598-T601 HydrophobicContact CB-CG2 4.31Å; D598-T601 WeakPolarHBondContact O-CB 3.39Å; D598-T601 PolarHBondContact O-N 3.26Å; D598-T601 PolarHBondContact O-OG1 2.91Å; P599-T601 PolarHBondContact O-N 2.92Å |
| 602 | Y | 60.4 | Low | 69.2 | Low | 40 Ų | 40 | 74.1 Ų | 74.1 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -98.2 | 130 | 178.6 | -66.8 | -111.8 | 0 | 0 | 0 | 111 | V597 P599 F600 D604 Q607 A608 E611 F612 | V597-Y602 HydrophobicContact CG1-CE2 4.14Å; P599-Y602 PolarHBondContact O-N 2.81Å; F600-Y602 VanDerWaalsContact C-N 3.25Å; Y602-D604 VanDerWaalsContact C-N 3.29Å; Y602-D604 PolarHBondContact O-N 3.1Å; Y602-Q607 HydrophobicContact CD1-CB 4.07Å; Y602-Q607 HydrophobicContact CD1-CG 3.83Å; Y602-Q607 HydrophobicContact CE1-CG 4.14Å; Y602-A608 HydrophobicContact CD1-CB 4.29Å; Y602-A608 HydrophobicContact CD2-CB 4.03Å; Y602-A608 HydrophobicContact CE2-CB 4.39Å; Y602-A608 HydrophobicContact CG-CB 3.98Å; Y602-E611 WeakPolarHBondContact CE1-OE2 3.46Å; Y602-E611 PolarHBondContact OH-OE2 3.42Å; Y602-F612 AromaticContact CE2-CE2 3.98Å; Y602-F612 HydrophobicContact CE2-CE2 3.98Å; Y602-F612 HydrophobicContact CE2-CZ 4.34Å; Y602-F612 AromaticContact CZ-CE2 3.97Å; Y602-F612 VanDerWaalsContact OH-CZ 3.32Å; Y602-F612 WeakPolarHBondContact OH-CZ 3.21Å |
| 603 | E | 60.4 | Low | 71.8 | Confident | 207 Ų | 207 | 72 Ų | 72 | 97% | 0.967 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -63.7 | -33.2 | 177.2 | -61.1 | -175.4 | 157.3 | 0 | 0 | 112.9 | ||
| 604 | D | 68.8 | Low | 74.2 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | trans | -113 | 109.2 | 173.1 | 172.3 | 28 | 0 | 0 | 0 | 110.4 | Y602 N606 Q607 R610 | Y602-D604 VanDerWaalsContact C-N 3.29Å; Y602-D604 PolarHBondContact O-N 3.1Å; D604-N606 PolarHBondContact O-N 2.92Å; D604-N606 VanDerWaalsContact O-N 3.11Å; D604-N606 VanDerWaalsContact OD1-CB 3.25Å; D604-N606 WeakPolarHBondContact OD1-CB 3.42Å; D604-N606 PolarHBondContact OD1-N 2.84Å; D604-N606 PolarHBondContact OD1-ND2 3.34Å; D604-N606 WeakPolarHBondContact OD2-CB 3.29Å; D604-Q607 HydrophobicContact CB-CB 4.32Å; D604-Q607 WeakPolarHBondContact O-CA 3.25Å; D604-Q607 WeakPolarHBondContact O-CB 3.48Å; D604-Q607 PolarHBondContact O-N 3.22Å; D604-Q607 PolarHBondContact OD2-N 2.93Å; D604-R610 IonicContact OD2-CZ 3.2Å; D604-R610 IonicContact OD2-NH1 3.72Å; D604-R610 IonicContact OD2-NH2 3.07Å; D604-R610 PolarHBondContact OD2-NH2 2.95Å | ||
| 605 | P | 66.8 | Low | 76 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.3 | -18.7 | 173.8 | -31.4 | 40.8 | 0 | 0 | 0 | 114.4 | Q607 A608 V609 R665 | P605-Q607 PolarHBondContact O-N 3.34Å; P605-A608 PolarHBondContact O-N 2.93Å; P605-V609 VanDerWaalsContact O-CG2 3.27Å; P605-V609 WeakPolarHBondContact O-CG2 3.3Å; P605-V609 PolarHBondContact O-N 3.43Å; P605-R665 HydrophobicContact CB-CG 4.48Å; P605-R665 HydrophobicContact CG-CB 4.16Å; P605-R665 HydrophobicContact CG-CG 3.81Å |
| 606 | N | 74.3 | Confident | 77 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 15% | 0.15 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.2 | -20.4 | 170.3 | -52.3 | -98.3 | 0 | 0 | 0 | 111.4 | D604 R610 R664 | D604-N606 PolarHBondContact O-N 2.92Å; D604-N606 VanDerWaalsContact O-N 3.11Å; D604-N606 VanDerWaalsContact OD1-CB 3.25Å; D604-N606 WeakPolarHBondContact OD1-CB 3.42Å; D604-N606 PolarHBondContact OD1-N 2.84Å; D604-N606 PolarHBondContact OD1-ND2 3.34Å; D604-N606 WeakPolarHBondContact OD2-CB 3.29Å; N606-R610 VanDerWaalsContact CB-NH1 3.28Å; N606-R610 WeakPolarHBondContact O-CB 3.46Å; N606-R610 WeakPolarHBondContact O-CG 3.39Å; N606-R610 PolarHBondContact O-N 2.69Å; N606-R610 PolarHBondContact O-NE 2.87Å; N606-R610 PolarHBondContact O-NH1 2.94Å; N606-R664 PolarHBondContact ND2-NH1 2.97Å; N606-R664 VanDerWaalsContact ND2-NH1 3.14Å; N606-R664 PolarHBondContact OD1-NH1 3.36Å; N606-R664 PolarHBondContact OD1-NH2 3.06Å |
| 607 | Q | 77.9 | Confident | 77.6 | Confident | 97 Ų | 97 | 63.3 Ų | 63.3 | 45% | 0.453 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.2 | -48.1 | 171.2 | -172 | 175.1 | -35 | 0 | 0 | 111.4 | Y602 D604 P605 V609 R610 E611 | Y602-Q607 HydrophobicContact CD1-CB 4.07Å; Y602-Q607 HydrophobicContact CD1-CG 3.83Å; Y602-Q607 HydrophobicContact CE1-CG 4.14Å; D604-Q607 HydrophobicContact CB-CB 4.32Å; D604-Q607 WeakPolarHBondContact O-CA 3.25Å; D604-Q607 WeakPolarHBondContact O-CB 3.48Å; D604-Q607 PolarHBondContact O-N 3.22Å; D604-Q607 PolarHBondContact OD2-N 2.93Å; P605-Q607 PolarHBondContact O-N 3.34Å; Q607-V609 VanDerWaalsContact C-N 3.31Å; Q607-V609 PolarHBondContact O-N 2.85Å; Q607-R610 VanDerWaalsContact CA-NH2 3.3Å; Q607-R610 PolarHBondContact O-N 2.98Å; Q607-R610 VanDerWaalsContact O-N 3.08Å; Q607-E611 PolarHBondContact O-N 2.85Å |
| 608 | A | 77.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P599 Y602 P605 R610 E611 F612 | P599-A608 HydrophobicContact CB-CB 3.94Å; Y602-A608 HydrophobicContact CD1-CB 4.29Å; Y602-A608 HydrophobicContact CD2-CB 4.03Å; Y602-A608 HydrophobicContact CE2-CB 4.39Å; Y602-A608 HydrophobicContact CG-CB 3.98Å; P605-A608 PolarHBondContact O-N 2.93Å; A608-R610 PolarHBondContact O-N 2.89Å; A608-E611 PolarHBondContact O-N 3.07Å; A608-F612 HydrophobicContact CB-CD2 4.26Å; A608-F612 HydrophobicContact CB-CE2 4.33Å; A608-F612 VanDerWaalsContact O-CD2 3.22Å; A608-F612 WeakPolarHBondContact O-CD2 3.31Å; A608-F612 PolarHBondContact O-N 3.37Å |
| 609 | V | 82.5 | Confident | 79 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -43.2 | 172.7 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | P605 Q607 E611 A613 L668 S672 V688 T690 | P605-V609 VanDerWaalsContact O-CG2 3.27Å; P605-V609 WeakPolarHBondContact O-CG2 3.3Å; P605-V609 PolarHBondContact O-N 3.43Å; Q607-V609 VanDerWaalsContact C-N 3.31Å; Q607-V609 PolarHBondContact O-N 2.85Å; V609-E611 PolarHBondContact O-N 3.1Å; V609-A613 HydrophobicContact CG1-CB 4.17Å; V609-A613 CarbonylContact O-C 3.54Å; V609-A613 WeakPolarHBondContact O-CA 3.27Å; V609-A613 WeakPolarHBondContact O-CB 3.38Å; V609-A613 PolarHBondContact O-N 2.79Å; V609-L668 HydrophobicContact CG2-CB 3.8Å; V609-L668 HydrophobicContact CG2-CD2 4.12Å; V609-L668 HydrophobicContact CG2-CG 4.37Å; V609-L668 WeakPolarHBondContact CG2-O 3.49Å; V609-S672 VanDerWaalsContact CG2-OG 3.22Å; V609-S672 WeakPolarHBondContact CG2-OG 3.32Å; V609-S672 PolarHBondContact N-OG 2.93Å; V609-V688 HydrophobicContact CG1-CG2 3.79Å; V609-T690 HydrophobicContact CG1-CG2 4.11Å |
| 610 | R | 83 | Confident | 80.1 | Confident | 163 Ų | 163 | 66.3 Ų | 66.3 | 62% | 0.615 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.7 | -21.9 | 177.7 | -77.8 | 178.3 | -57.2 | -103 | 3.2 | 113.6 | D604 N606 Q607 A608 | D604-R610 IonicContact OD2-CZ 3.2Å; D604-R610 IonicContact OD2-NH1 3.72Å; D604-R610 IonicContact OD2-NH2 3.07Å; D604-R610 PolarHBondContact OD2-NH2 2.95Å; N606-R610 VanDerWaalsContact CB-NH1 3.28Å; N606-R610 WeakPolarHBondContact O-CB 3.46Å; N606-R610 WeakPolarHBondContact O-CG 3.39Å; N606-R610 PolarHBondContact O-N 2.69Å; N606-R610 PolarHBondContact O-NE 2.87Å; N606-R610 PolarHBondContact O-NH1 2.94Å; Q607-R610 VanDerWaalsContact CA-NH2 3.3Å; Q607-R610 PolarHBondContact O-N 2.98Å; Q607-R610 VanDerWaalsContact O-N 3.08Å; A608-R610 PolarHBondContact O-N 2.89Å |
| 611 | E | 83.3 | Confident | 81.3 | Confident | 118 Ų | 118 | 63.8 Ų | 63.8 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -91.9 | -41.1 | 179.7 | -171.8 | 166.8 | -177.7 | 0 | 0 | 112.6 | Y602 Q607 A608 V609 | Y602-E611 WeakPolarHBondContact CE1-OE2 3.46Å; Y602-E611 PolarHBondContact OH-OE2 3.42Å; Q607-E611 PolarHBondContact O-N 2.85Å; A608-E611 PolarHBondContact O-N 3.07Å; V609-E611 PolarHBondContact O-N 3.1Å |
| 612 | F | 86.5 | Confident | 82.5 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 18% | 0.184 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -104.1 | -19.8 | -173.2 | -53.9 | -54.4 | 0 | 0 | 0 | 114.7 | V597 Y602 A608 G675 Q676 | V597-F612 HydrophobicContact CB-CZ 4.24Å; V597-F612 HydrophobicContact CG1-CZ 4.43Å; Y602-F612 AromaticContact CE2-CE2 3.98Å; Y602-F612 HydrophobicContact CE2-CE2 3.98Å; Y602-F612 HydrophobicContact CE2-CZ 4.34Å; Y602-F612 AromaticContact CZ-CE2 3.97Å; Y602-F612 VanDerWaalsContact OH-CZ 3.32Å; Y602-F612 WeakPolarHBondContact OH-CZ 3.21Å; A608-F612 HydrophobicContact CB-CD2 4.26Å; A608-F612 HydrophobicContact CB-CE2 4.33Å; A608-F612 VanDerWaalsContact O-CD2 3.22Å; A608-F612 WeakPolarHBondContact O-CD2 3.31Å; A608-F612 PolarHBondContact O-N 3.37Å; F612-G675 CarbonylContact O-C 3.59Å; F612-G675 VanDerWaalsContact O-CA 3.24Å; F612-G675 WeakPolarHBondContact O-CA 3.49Å; F612-Q676 HydrophobicContact CB-CG 4.1Å; F612-Q676 HydrophobicContact CD1-CG 3.59Å; F612-Q676 HydrophobicContact CD2-CG 4.2Å; F612-Q676 HydrophobicContact CE1-CG 4.05Å; F612-Q676 HydrophobicContact CG-CG 3.69Å |
| 613 | A | 90.1 | Very high | 84 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 12% | 0.116 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -120.3 | 145.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V609 L685 V688 | V609-A613 HydrophobicContact CG1-CB 4.17Å; V609-A613 CarbonylContact O-C 3.54Å; V609-A613 WeakPolarHBondContact O-CA 3.27Å; V609-A613 WeakPolarHBondContact O-CB 3.38Å; V609-A613 PolarHBondContact O-N 2.79Å; A613-L685 HydrophobicContact CB-CD2 3.78Å; A613-V688 HydrophobicContact CB-CG1 4.11Å; A613-V688 HydrophobicContact CB-CG2 4.07Å |
| 614 | K | 91.6 | Very high | 85.4 | Confident | 102 Ų | 102 | 60.8 Ų | 60.8 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | trans | -88.3 | 119.1 | 179 | 176.1 | -175.1 | 158 | -142.6 | 0 | 110.7 | I616 G687 V688 | K614-I616 PolarHBondContact O-N 3.08Å; K614-G687 CarbonylContact O-C 3.56Å; K614-G687 WeakPolarHBondContact O-CA 3.35Å; K614-V688 PolarHBondContact O-N 2.89Å | ||
| 615 | E | 93.1 | Very high | 86.3 | Confident | 51 Ų | 51 | 65.3 Ų | 65.3 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -67.6 | 131.3 | 169.7 | -174.8 | 76.3 | -178.2 | 0 | 0 | 110.6 | V688 T690 K691 | E615-V688 CarbonylContact C-O 3.54Å; E615-V688 WeakPolarHBondContact CA-O 3.36Å; E615-T690 VanDerWaalsContact CD-OG1 3.31Å; E615-T690 PolarHBondContact OE1-N 3.16Å; E615-T690 PolarHBondContact OE1-OG1 2.94Å; E615-T690 WeakPolarHBondContact OE2-CB 3.16Å; E615-T690 PolarHBondContact OE2-N 2.9Å; E615-T690 VanDerWaalsContact OE2-N 3.12Å; E615-T690 PolarHBondContact OE2-OG1 3.01Å; E615-K691 HydrophobicContact CG-CD 3.92Å; E615-K691 HydrophobicContact CG-CG 4.47Å; E615-K691 WeakPolarHBondContact OE1-CB 3.4Å; E615-K691 WeakPolarHBondContact OE1-CD 3.24Å; E615-K691 VanDerWaalsContact OE1-CG 3.26Å; E615-K691 WeakPolarHBondContact OE1-CG 3.44Å; E615-K691 PolarHBondContact OE1-N 3.44Å |
| 616 | I | 92.1 | Very high | 87.3 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | trans | -109.2 | 144.4 | 175.5 | -64.5 | 175.7 | 0 | 0 | 0 | 108.3 | K614 C620 I621 L640 V688 V689 I698 | K614-I616 PolarHBondContact O-N 3.08Å; I616-C620 HydrophobicContact CG2-CB 4.09Å; I616-I621 HydrophobicContact CG2-CD1 3.81Å; I616-I621 HydrophobicContact CG2-CG1 4.02Å; I616-L640 HydrophobicContact CD1-CD1 4.11Å; I616-L640 HydrophobicContact CD1-CD2 3.87Å; I616-L640 HydrophobicContact CG2-CD1 3.83Å; I616-V688 PolarHBondContact N-O 3.22Å; I616-V689 HydrophobicContact CB-CG2 4.32Å; I616-I698 HydrophobicContact CD1-CB 4.39Å; I616-I698 HydrophobicContact CD1-CD1 4.44Å | ||
| 617 | D | 89.7 | Confident | 87.8 | Confident | 101 Ų | 101 | 70.2 Ų | 70.2 | 54% | 0.54 | 35% | 0.35 | S | S | . | . | trans | -78 | 131.9 | 169.5 | -169 | -73.9 | 0 | 0 | 0 | 110.3 | S619 C620 | D617-S619 PolarHBondContact O-N 3.15Å; D617-S619 VanDerWaalsContact O-N 3.12Å; D617-S619 VanDerWaalsContact OD1-CB 3.3Å; D617-S619 WeakPolarHBondContact OD1-CB 3.43Å; D617-S619 PolarHBondContact OD1-N 2.98Å; D617-S619 PolarHBondContact OD1-OG 2.68Å; D617-C620 VanDerWaalsContact O-CB 3.25Å; D617-C620 WeakPolarHBondContact O-CB 3.3Å; D617-C620 PolarHBondContact O-N 3.02Å | ||
| 618 | A | 90.1 | Very high | 87.8 | Confident | 36 Ų | 36 | 67 Ų | 67 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -58.5 | -27.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | C620 I621 V689 | A618-C620 PolarHBondContact O-N 2.65Å; A618-I621 PolarHBondContact O-N 2.66Å; A618-I621 VanDerWaalsContact O-N 3.11Å; A618-V689 HydrophobicContact CB-CG1 4.28Å |
| 619 | S | 89.2 | Confident | 87.6 | Confident | 107 Ų | 107 | 72 Ų | 72 | 75% | 0.748 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -67.7 | -16 | 175 | 65.8 | 0 | 0 | 0 | 0 | 114 | D617 I621 | D617-S619 PolarHBondContact O-N 3.15Å; D617-S619 VanDerWaalsContact O-N 3.12Å; D617-S619 VanDerWaalsContact OD1-CB 3.3Å; D617-S619 WeakPolarHBondContact OD1-CB 3.43Å; D617-S619 PolarHBondContact OD1-N 2.98Å; D617-S619 PolarHBondContact OD1-OG 2.68Å; S619-I621 VanDerWaalsContact C-N 3.28Å |
| 620 | C | 90.9 | Very high | 86.7 | Confident | 26 Ų | 26 | 73 Ų | 73 | 18% | 0.176 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -79.2 | -8.7 | 172.6 | -60.9 | 0 | 0 | 0 | 0 | 113.2 | I616 D617 A618 L640 K641 | I616-C620 HydrophobicContact CG2-CB 4.09Å; D617-C620 VanDerWaalsContact O-CB 3.25Å; D617-C620 WeakPolarHBondContact O-CB 3.3Å; D617-C620 PolarHBondContact O-N 3.02Å; A618-C620 PolarHBondContact O-N 2.65Å; C620-L640 HydrophobicContact CB-CD1 4.05Å; C620-K641 PolarHBondContact O-N 2.88Å |
| 621 | I | 92.6 | Very high | 85.9 | Confident | 24 Ų | 24 | 72 Ų | 72 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.2 | -171 | -62.5 | 166.2 | 0 | 0 | 0 | 110.2 | I616 A618 S619 R639 L640 I652 V689 I698 | I616-I621 HydrophobicContact CG2-CD1 3.81Å; I616-I621 HydrophobicContact CG2-CG1 4.02Å; A618-I621 PolarHBondContact O-N 2.66Å; A618-I621 VanDerWaalsContact O-N 3.11Å; S619-I621 VanDerWaalsContact C-N 3.28Å; I621-R639 WeakPolarHBondContact CA-O 3.42Å; I621-L640 HydrophobicContact CG1-CD1 3.9Å; I621-I652 HydrophobicContact CG2-CD1 3.54Å; I621-I652 HydrophobicContact CG2-CG1 4.43Å; I621-V689 HydrophobicContact CD1-CG2 3.53Å; I621-I698 HydrophobicContact CD1-CD1 3.8Å; I621-I698 HydrophobicContact CD1-CG1 3.86Å |
| 622 | K | 91.9 | Very high | 85 | Confident | 118 Ų | 118 | 67 Ų | 67 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 111.8 | 170.6 | -179.9 | -163.8 | 171 | -149.2 | 0 | 109.2 | E624 G638 R639 | K622-E624 HydrophobicContact CD-CG 4.43Å; K622-E624 IonicContact NZ-OE1 3.46Å; K622-E624 PolarHBondContact NZ-OE1 2.84Å; K622-G638 CarbonylContact O-C 3.57Å; K622-G638 WeakPolarHBondContact O-CA 3.26Å; K622-R639 HydrophobicContact CB-CB 4.29Å; K622-R639 PolarHBondContact N-O 2.91Å; K622-R639 PolarHBondContact O-N 3.12Å |
| 623 | I | 91.7 | Very high | 84.5 | Confident | 87 Ų | 87 | 65 Ų | 65 | 45% | 0.446 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 134.9 | 171.5 | -61 | 172.7 | 0 | 0 | 0 | 108.4 | C636 I652 M696 | I623-C636 HydrophobicContact CG2-CB 3.76Å; I623-I652 HydrophobicContact CG1-CD1 3.87Å; I623-M696 HydrophobicContact CD1-SD 4.47Å |
| 624 | E | 88.9 | Confident | 84.2 | Confident | 80 Ų | 80 | 68.3 Ų | 68.3 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | -44 | -178.5 | -65.5 | -167.4 | 141.3 | 0 | 0 | 113.5 | K622 S637 R639 | K622-E624 HydrophobicContact CD-CG 4.43Å; K622-E624 IonicContact NZ-OE1 3.46Å; K622-E624 PolarHBondContact NZ-OE1 2.84Å; E624-S637 PolarHBondContact N-O 3.45Å; E624-R639 HydrophobicContact CG-CG 4.45Å; E624-R639 WeakPolarHBondContact OE1-CG 3.18Å; E624-R639 IonicContact OE1-NE 3.47Å; E624-R639 PolarHBondContact OE1-NE 2.78Å; E624-R639 IonicContact OE2-CZ 2.73Å; E624-R639 IonicContact OE2-NE 2.76Å; E624-R639 PolarHBondContact OE2-NE 3.38Å; E624-R639 IonicContact OE2-NH2 3.61Å; E624-R639 PolarHBondContact OE2-NH2 3.46Å |
| 625 | K | 88.9 | Confident | 84 | Confident | 148 Ų | 148 | 65.2 Ų | 65.2 | 64% | 0.643 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 142.2 | -177 | -170.1 | -165 | 165.1 | -178.6 | 0 | 111.7 | I627 C636 S637 | K625-I627 PolarHBondContact O-N 3.08Å; K625-C636 CarbonylContact O-C 3.52Å; K625-C636 WeakPolarHBondContact O-CA 3.31Å; K625-C636 WeakPolarHBondContact O-CB 3.35Å; K625-S637 PolarHBondContact N-O 3.37Å; K625-S637 PolarHBondContact O-N 3.24Å; K625-S637 PolarHBondContact O-OG 3.09Å |
| 626 | V | 87.8 | Confident | 83.9 | Confident | 68 Ų | 68 | 63 Ų | 63 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 127.4 | 165.5 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | E634 | V626-E634 HydrophobicContact CG1-CB 4.36Å; V626-E634 HydrophobicContact CG1-CG 4.48Å |
| 627 | I | 83.9 | Confident | 83.9 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 40% | 0.395 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -15.5 | 178.4 | 60.7 | 175.2 | 0 | 0 | 0 | 113.1 | K625 V635 A651 Y701 | K625-I627 PolarHBondContact O-N 3.08Å; I627-V635 HydrophobicContact CD1-CG1 4.01Å; I627-V635 HydrophobicContact CG1-CB 4.14Å; I627-V635 HydrophobicContact CG1-CG1 3.97Å; I627-V635 VanDerWaalsContact CG1-O 3.23Å; I627-V635 WeakPolarHBondContact CG1-O 3.49Å; I627-V635 PolarHBondContact N-O 3.27Å; I627-A651 HydrophobicContact CD1-CB 4.45Å; I627-Y701 HydrophobicContact CD1-CD2 4.35Å; I627-Y701 HydrophobicContact CD1-CE2 3.83Å |
| 628 | G | 78.4 | Confident | 84.2 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V635 | G628-V635 PolarHBondContact N-O 3.01Å; G628-V635 VanDerWaalsContact N-O 3.15Å; G628-V635 PolarHBondContact O-N 3.13Å |
| 629 | V | 73.2 | Confident | 84.3 | Confident | 105 Ų | 105 | 60.7 Ų | 60.7 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.3 | 174.8 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | E634 | V629-E634 HydrophobicContact CG2-CG 4.46Å |
| 630 | G | 63.9 | Low | 84.6 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -179.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F632 G633 | G630-F632 VanDerWaalsContact C-N 3.28Å; G630-F632 PolarHBondContact O-N 3.09Å; G630-G633 PolarHBondContact N-O 2.96Å; G630-G633 PolarHBondContact O-N 2.78Å |
| 631 | E | 65.3 | Low | 84.6 | Confident | 142 Ų | 142 | 61 Ų | 61 | 66% | 0.664 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -45.7 | -178.3 | -176.5 | 175.2 | -175.8 | 0 | 0 | 112.8 | ||
| 632 | F | 65.9 | Low | 84.2 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 6% | 0.057 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -17.4 | -174.2 | -57.4 | -71.5 | 0 | 0 | 0 | 115 | G630 L655 K656 Q663 D666 F667 | G630-F632 VanDerWaalsContact C-N 3.28Å; G630-F632 PolarHBondContact O-N 3.09Å; F632-L655 HydrophobicContact CB-CD1 3.91Å; F632-L655 HydrophobicContact CD1-CD1 4.36Å; F632-K656 WeakPolarHBondContact O-CG 3.48Å; F632-K656 PolarHBondContact O-N 3.29Å; F632-Q663 HydrophobicContact CD1-CB 4.45Å; F632-D666 HydrophobicContact CE1-CB 3.87Å; F632-D666 HydrophobicContact CZ-CB 3.9Å; F632-F667 HydrophobicContact CB-CD2 3.46Å; F632-F667 VanDerWaalsContact CB-CD2 3.46Å; F632-F667 HydrophobicContact CB-CE2 3.93Å; F632-F667 HydrophobicContact CB-CG 4.37Å; F632-F667 HydrophobicContact CD1-CB 3.97Å; F632-F667 HydrophobicContact CD1-CD2 4.32Å; F632-F667 AromaticContact CD2-CD2 3.84Å; F632-F667 HydrophobicContact CD2-CD2 3.84Å; F632-F667 HydrophobicContact CE1-CB 4.28Å; F632-F667 HydrophobicContact CG-CB 4.1Å; F632-F667 AromaticContact CG-CD2 3.62Å; F632-F667 HydrophobicContact CG-CD2 3.62Å; F632-F667 HydrophobicContact CG-CG 4.33Å |
| 633 | G | 75.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.7 | -170.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G630 T654 | G630-G633 PolarHBondContact N-O 2.96Å; G630-G633 PolarHBondContact O-N 2.78Å; G633-T654 VanDerWaalsContact CA-O 3.26Å; G633-T654 WeakPolarHBondContact CA-O 3.41Å |
| 634 | E | 83.8 | Confident | 82.9 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 39% | 0.388 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 137.5 | -177.7 | -67.6 | 174.5 | -171 | 0 | 0 | 110.1 | V626 V629 T654 | V626-E634 HydrophobicContact CG1-CB 4.36Å; V626-E634 HydrophobicContact CG1-CG 4.48Å; V629-E634 HydrophobicContact CG2-CG 4.46Å; E634-T654 PolarHBondContact N-OG1 2.7Å; E634-T654 PolarHBondContact O-N 3.18Å; E634-T654 PolarHBondContact O-OG1 2.85Å |
| 635 | V | 88.1 | Confident | 82.7 | Confident | 37 Ų | 37 | 64.5 Ų | 64.5 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.1 | 167.9 | -164.8 | 0 | 0 | 0 | 0 | 107.1 | I627 G628 I652 K653 | I627-V635 HydrophobicContact CD1-CG1 4.01Å; I627-V635 HydrophobicContact CG1-CB 4.14Å; I627-V635 HydrophobicContact CG1-CG1 3.97Å; I627-V635 VanDerWaalsContact CG1-O 3.23Å; I627-V635 WeakPolarHBondContact CG1-O 3.49Å; I627-V635 PolarHBondContact N-O 3.27Å; G628-V635 PolarHBondContact N-O 3.01Å; G628-V635 VanDerWaalsContact N-O 3.15Å; G628-V635 PolarHBondContact O-N 3.13Å; V635-I652 WeakPolarHBondContact CA-O 3.31Å; V635-K653 HydrophobicContact CG2-CG 4.34Å |
| 636 | C | 90.5 | Very high | 82.6 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.034 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.7 | -179 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | I623 K625 A651 I652 | I623-C636 HydrophobicContact CG2-CB 3.76Å; K625-C636 CarbonylContact O-C 3.52Å; K625-C636 WeakPolarHBondContact O-CA 3.31Å; K625-C636 WeakPolarHBondContact O-CB 3.35Å; C636-A651 CarbonylContact O-C 3.59Å; C636-A651 WeakPolarHBondContact O-CA 3.44Å; C636-I652 HydrophobicContact CB-CB 4.49Å; C636-I652 PolarHBondContact N-O 3.48Å; C636-I652 PolarHBondContact O-N 2.99Å |
| 637 | S | 92.9 | Very high | 82.7 | Confident | 17 Ų | 17 | 70.1 Ų | 70.1 | 12% | 0.119 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 143.3 | 160.4 | 58.4 | 0 | 0 | 0 | 0 | 109.8 | E624 K625 | E624-S637 PolarHBondContact N-O 3.45Å; K625-S637 PolarHBondContact N-O 3.37Å; K625-S637 PolarHBondContact O-N 3.24Å; K625-S637 PolarHBondContact O-OG 3.09Å |
| 638 | G | 94.2 | Very high | 83.1 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | -171.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | K622 V650 | K622-G638 CarbonylContact O-C 3.57Å; K622-G638 WeakPolarHBondContact O-CA 3.26Å; G638-V650 PolarHBondContact N-O 3.26Å; G638-V650 PolarHBondContact O-N 2.93Å |
| 639 | R | 93.8 | Very high | 83.9 | Confident | 80 Ų | 80 | 70.6 Ų | 70.6 | 30% | 0.302 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.8 | 174.5 | -54.4 | -65.6 | 163.4 | 161.2 | -7.7 | 110.6 | I621 K622 E624 E647 I648 C649 | I621-R639 WeakPolarHBondContact CA-O 3.42Å; K622-R639 HydrophobicContact CB-CB 4.29Å; K622-R639 PolarHBondContact N-O 2.91Å; K622-R639 PolarHBondContact O-N 3.12Å; E624-R639 HydrophobicContact CG-CG 4.45Å; E624-R639 WeakPolarHBondContact OE1-CG 3.18Å; E624-R639 IonicContact OE1-NE 3.47Å; E624-R639 PolarHBondContact OE1-NE 2.78Å; E624-R639 IonicContact OE2-CZ 2.73Å; E624-R639 IonicContact OE2-NE 2.76Å; E624-R639 PolarHBondContact OE2-NE 3.38Å; E624-R639 IonicContact OE2-NH2 3.61Å; E624-R639 PolarHBondContact OE2-NH2 3.46Å; R639-E647 HydrophobicContact CB-CG 3.81Å; R639-E647 HydrophobicContact CG-CG 4.29Å; R639-I648 WeakPolarHBondContact CA-O 3.39Å; R639-C649 PolarHBondContact NH1-SG 2.81Å |
| 640 | L | 94.4 | Very high | 84.9 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.9 | 166.9 | 175.6 | 62.3 | 0 | 0 | 0 | 109.3 | I616 C620 I621 V642 E647 I648 V650 E686 I698 | I616-L640 HydrophobicContact CD1-CD1 4.11Å; I616-L640 HydrophobicContact CD1-CD2 3.87Å; I616-L640 HydrophobicContact CG2-CD1 3.83Å; C620-L640 HydrophobicContact CB-CD1 4.05Å; I621-L640 HydrophobicContact CG1-CD1 3.9Å; L640-V642 HydrophobicContact CD1-CG2 4.2Å; L640-V642 HydrophobicContact CD2-CG2 4.02Å; L640-V642 HydrophobicContact CG-CG2 3.87Å; L640-E647 WeakPolarHBondContact O-CA 3.48Å; L640-I648 HydrophobicContact CB-CG1 4.07Å; L640-I648 HydrophobicContact CD2-CD1 4.38Å; L640-I648 PolarHBondContact N-O 2.93Å; L640-I648 PolarHBondContact O-N 3.44Å; L640-V650 HydrophobicContact CB-CB 4.48Å; L640-V650 HydrophobicContact CB-CG1 3.65Å; L640-V650 HydrophobicContact CB-CG2 3.97Å; L640-V650 HydrophobicContact CD2-CG1 4.23Å; L640-E686 HydrophobicContact CD2-CB 3.82Å; L640-E686 HydrophobicContact CD2-CG 4.2Å; L640-I698 HydrophobicContact CD2-CG2 4.39Å |
| 641 | K | 91.9 | Very high | 86.4 | Confident | 137 Ų | 137 | 64.9 Ų | 64.9 | 60% | 0.596 | 34% | 0.337 | S | S | * | . | trans | -116.3 | 80.4 | -178.6 | -172.7 | 178 | 178 | 177.6 | 0 | 110.4 | C620 E647 | C620-K641 PolarHBondContact O-N 2.88Å; K641-E647 HydrophobicContact CB-CG 4.43Å | ||
| 642 | V | 84.3 | Confident | 87.8 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | trans | -71.8 | 132.5 | 175.7 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | L640 G644 K645 | L640-V642 HydrophobicContact CD1-CG2 4.2Å; L640-V642 HydrophobicContact CD2-CG2 4.02Å; L640-V642 HydrophobicContact CG-CG2 3.87Å; V642-G644 PolarHBondContact O-N 3.09Å; V642-K645 HydrophobicContact CB-CB 4.27Å; V642-K645 HydrophobicContact CB-CD 4.45Å; V642-K645 PolarHBondContact O-N 2.93Å | ||
| 643 | P | 78.9 | Confident | 89.1 | Confident | 112 Ų | 112 | 59 Ų | 59 | 73% | 0.727 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 130.8 | 174.4 | -29 | 35.9 | 0 | 0 | 0 | 112.6 | K645 | P643-K645 VanDerWaalsContact C-N 3.27Å; P643-K645 PolarHBondContact O-N 3.06Å |
| 644 | G | 76.6 | Confident | 89.8 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 96% | 0.959 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | V642 | V642-G644 PolarHBondContact O-N 3.09Š|
| 645 | K | 85.6 | Confident | 89.8 | Confident | 147 Ų | 147 | 56.2 Ų | 56.2 | 64% | 0.639 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -105 | 166.6 | 171 | -69.7 | -167.3 | 174.8 | -171.2 | 0 | 111.6 | V642 P643 | V642-K645 HydrophobicContact CB-CB 4.27Å; V642-K645 HydrophobicContact CB-CD 4.45Å; V642-K645 PolarHBondContact O-N 2.93Å; P643-K645 VanDerWaalsContact C-N 3.27Å; P643-K645 PolarHBondContact O-N 3.06Å |
| 646 | R | 85.9 | Confident | 89.4 | Confident | 229 Ų | 229 | 59.8 Ų | 59.8 | 86% | 0.864 | 31% | 0.31 | S | S | * | . | trans | -69.4 | 152.6 | 163.8 | -67.7 | -176.6 | 178.5 | 179.9 | -0.4 | 109.7 | ||||
| 647 | E | 90.3 | Very high | 88.8 | Confident | 105 Ų | 105 | 64.6 Ų | 64.6 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | trans | -68.6 | 136.5 | 171.7 | -175.5 | 173.1 | -112.1 | 0 | 0 | 110.2 | R639 L640 K641 | R639-E647 HydrophobicContact CB-CG 3.81Å; R639-E647 HydrophobicContact CG-CG 4.29Å; L640-E647 WeakPolarHBondContact O-CA 3.48Å; K641-E647 HydrophobicContact CB-CG 4.43Å | ||
| 648 | I | 93.1 | Very high | 88 | Confident | 60 Ų | 60 | 67.6 Ų | 67.6 | 31% | 0.308 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 152 | -177 | 58.9 | 171.7 | 0 | 0 | 0 | 111.7 | R639 L640 V650 E686 | R639-I648 WeakPolarHBondContact CA-O 3.39Å; L640-I648 HydrophobicContact CB-CG1 4.07Å; L640-I648 HydrophobicContact CD2-CD1 4.38Å; L640-I648 PolarHBondContact N-O 2.93Å; L640-I648 PolarHBondContact O-N 3.44Å; I648-V650 HydrophobicContact CD1-CG1 4.25Å; I648-V650 HydrophobicContact CG1-CG1 4.18Å; I648-E686 VanDerWaalsContact CD1-CD 3.46Å; I648-E686 HydrophobicContact CD1-CG 4.06Å; I648-E686 VanDerWaalsContact CD1-OE1 3.3Å; I648-E686 WeakPolarHBondContact CD1-OE1 3.45Å |
| 649 | C | 93.6 | Very high | 87.3 | Confident | 57 Ų | 57 | 70.4 Ų | 70.4 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.9 | 171.2 | -58 | 0 | 0 | 0 | 0 | 109.8 | R639 Y701 | R639-C649 PolarHBondContact NH1-SG 2.81Å; C649-Y701 HydrophobicContact CB-CD1 4.12Å; C649-Y701 HydrophobicContact CB-CG 4.24Å; C649-Y701 PolarHBondContact O-N 2.85Å |
| 650 | V | 95.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 152.4 | 179 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | G638 L640 I648 I652 E686 I698 T699 | G638-V650 PolarHBondContact N-O 3.26Å; G638-V650 PolarHBondContact O-N 2.93Å; L640-V650 HydrophobicContact CB-CB 4.48Å; L640-V650 HydrophobicContact CB-CG1 3.65Å; L640-V650 HydrophobicContact CB-CG2 3.97Å; L640-V650 HydrophobicContact CD2-CG1 4.23Å; I648-V650 HydrophobicContact CD1-CG1 4.25Å; I648-V650 HydrophobicContact CG1-CG1 4.18Å; V650-I652 HydrophobicContact CG2-CD1 4.1Å; V650-I652 HydrophobicContact CG2-CG1 3.91Å; V650-E686 HydrophobicContact CG1-CG 4.28Å; V650-I698 HydrophobicContact CB-CG2 3.6Å; V650-I698 HydrophobicContact CG1-CG2 3.71Å; V650-I698 HydrophobicContact CG2-CG2 3.86Å; V650-T699 CarbonylContact C-O 3.55Å; V650-T699 VanDerWaalsContact CA-O 3.31Å; V650-T699 WeakPolarHBondContact CA-O 3.45Å; V650-T699 VanDerWaalsContact CB-O 3.31Å; V650-T699 WeakPolarHBondContact CB-O 3.26Å |
| 651 | A | 95.2 | Very high | 85.9 | Confident | 12 Ų | 12 | 75.4 Ų | 75.4 | 10% | 0.099 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 135.5 | 162 | 0 | 0 | 0 | 0 | 0 | 109.1 | I627 C636 I698 T699 Y701 | I627-A651 HydrophobicContact CD1-CB 4.45Å; C636-A651 CarbonylContact O-C 3.59Å; C636-A651 WeakPolarHBondContact O-CA 3.44Å; A651-I698 WeakPolarHBondContact O-CA 3.46Å; A651-T699 PolarHBondContact N-O 3.26Å; A651-T699 PolarHBondContact O-N 3.05Å; A651-Y701 HydrophobicContact CB-CD2 4.38Å |
| 652 | I | 94.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 102.5 | -171.8 | -56.1 | 165.9 | 0 | 0 | 0 | 106.9 | I621 I623 V635 C636 V650 T654 M696 I697 I698 | I621-I652 HydrophobicContact CG2-CD1 3.54Å; I621-I652 HydrophobicContact CG2-CG1 4.43Å; I623-I652 HydrophobicContact CG1-CD1 3.87Å; V635-I652 WeakPolarHBondContact CA-O 3.31Å; C636-I652 HydrophobicContact CB-CB 4.49Å; C636-I652 PolarHBondContact N-O 3.48Å; C636-I652 PolarHBondContact O-N 2.99Å; V650-I652 HydrophobicContact CG2-CD1 4.1Å; V650-I652 HydrophobicContact CG2-CG1 3.91Å; I652-T654 HydrophobicContact CG2-CG2 4.29Å; I652-M696 HydrophobicContact CG2-CB 4.19Å; I652-M696 HydrophobicContact CG2-CG 4.09Å; I652-M696 HydrophobicContact CG2-SD 3.76Å; I652-I697 WeakPolarHBondContact CA-O 3.42Å; I652-I698 HydrophobicContact CG1-CG1 4.48Å |
| 653 | K | 92 | Very high | 84.9 | Confident | 32 Ų | 32 | 76.8 Ų | 76.8 | 14% | 0.139 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 121.9 | 171.6 | -150.4 | -178.9 | -165.4 | 176.7 | 0 | 107.4 | V635 F667 E670 M696 I697 | V635-K653 HydrophobicContact CG2-CG 4.34Å; K653-F667 HydrophobicContact CB-CE2 4.28Å; K653-F667 HydrophobicContact CD-CE2 4.02Å; K653-F667 HydrophobicContact CG-CE2 4Å; K653-E670 IonicContact NZ-OE1 2.9Å; K653-E670 PolarHBondContact NZ-OE1 2.93Å; K653-E670 IonicContact NZ-OE2 2.7Å; K653-E670 PolarHBondContact NZ-OE2 3.28Å; K653-M696 CarbonylContact O-C 3.48Å; K653-M696 VanDerWaalsContact O-CA 3.31Å; K653-M696 WeakPolarHBondContact O-CA 3.45Å; K653-I697 HydrophobicContact CB-CB 4.17Å; K653-I697 PolarHBondContact N-O 3.33Å; K653-I697 PolarHBondContact O-N 3.35Å |
| 654 | T | 89.6 | Confident | 85.2 | Confident | 17 Ų | 17 | 74 Ų | 74 | 10% | 0.104 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 152 | 178.3 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | G633 E634 I652 M696 | G633-T654 VanDerWaalsContact CA-O 3.26Å; G633-T654 WeakPolarHBondContact CA-O 3.41Å; E634-T654 PolarHBondContact N-OG1 2.7Å; E634-T654 PolarHBondContact O-N 3.18Å; E634-T654 PolarHBondContact O-OG1 2.85Å; I652-T654 HydrophobicContact CG2-CG2 4.29Å; T654-M696 HydrophobicContact CG2-CG 4.23Å |
| 655 | L | 85.1 | Confident | 85.4 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 4% | 0.037 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -101.4 | 121.8 | 172.3 | -172.9 | 62.5 | 0 | 0 | 0 | 110.4 | F632 Y659 R664 F667 V695 | F632-L655 HydrophobicContact CB-CD1 3.91Å; F632-L655 HydrophobicContact CD1-CD1 4.36Å; L655-Y659 HydrophobicContact CD2-CD1 3.41Å; L655-Y659 VanDerWaalsContact CD2-CD1 3.41Å; L655-Y659 HydrophobicContact CD2-CD2 4.28Å; L655-Y659 HydrophobicContact CD2-CE1 3.68Å; L655-Y659 HydrophobicContact CD2-CG 3.75Å; L655-Y659 HydrophobicContact CG-CD1 3.55Å; L655-Y659 HydrophobicContact CG-CE1 4.2Å; L655-Y659 HydrophobicContact CG-CG 3.99Å; L655-R664 HydrophobicContact CD2-CB 4.36Å; L655-R664 HydrophobicContact CD2-CG 4.2Å; L655-F667 HydrophobicContact CB-CD1 4.06Å; L655-F667 HydrophobicContact CB-CE1 3.76Å; L655-F667 HydrophobicContact CB-CE2 4.33Å; L655-F667 HydrophobicContact CB-CG 4.47Å; L655-F667 HydrophobicContact CB-CZ 3.89Å; L655-F667 HydrophobicContact CD1-CB 4.07Å; L655-F667 HydrophobicContact CD1-CD1 4.25Å; L655-F667 HydrophobicContact CD1-CD2 4.15Å; L655-F667 HydrophobicContact CD1-CG 3.93Å; L655-F667 HydrophobicContact CD2-CD1 4Å; L655-F667 HydrophobicContact CD2-CE1 4.43Å; L655-F667 HydrophobicContact CD2-CG 4.43Å; L655-F667 HydrophobicContact CG-CD1 4.33Å; L655-V695 HydrophobicContact CB-CB 4.14Å; L655-V695 HydrophobicContact CD2-CB 4.2Å; L655-V695 HydrophobicContact CD2-CG2 4.38Å; L655-V695 PolarHBondContact N-O 3.31Å |
| 656 | K | 79.6 | Confident | 85 | Confident | 112 Ų | 112 | 69.1 Ų | 69.1 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 145 | -176.7 | -68.8 | 176.9 | -172.4 | -178.9 | 0 | 112.7 | F632 Y659 | F632-K656 WeakPolarHBondContact O-CG 3.48Å; F632-K656 PolarHBondContact O-N 3.29Å; K656-Y659 VanDerWaalsContact O-CD1 3.31Å; K656-Y659 WeakPolarHBondContact O-CD1 3.43Å; K656-Y659 PolarHBondContact O-N 2.96Å |
| 657 | A | 77.4 | Confident | 85 | Confident | 105 Ų | 105 | 58.2 Ų | 58.2 | 87% | 0.868 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 144.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 658 | G | 76.4 | Confident | 84.9 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 83% | 0.825 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 13.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 659 | Y | 78.5 | Confident | 84.4 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | trans | -55.2 | 147.4 | 175 | 63.4 | -109.3 | 0 | 0 | 0 | 112.9 | L655 K656 R664 | L655-Y659 HydrophobicContact CD2-CD1 3.41Å; L655-Y659 VanDerWaalsContact CD2-CD1 3.41Å; L655-Y659 HydrophobicContact CD2-CD2 4.28Å; L655-Y659 HydrophobicContact CD2-CE1 3.68Å; L655-Y659 HydrophobicContact CD2-CG 3.75Å; L655-Y659 HydrophobicContact CG-CD1 3.55Å; L655-Y659 HydrophobicContact CG-CE1 4.2Å; L655-Y659 HydrophobicContact CG-CG 3.99Å; K656-Y659 VanDerWaalsContact O-CD1 3.31Å; K656-Y659 WeakPolarHBondContact O-CD1 3.43Å; K656-Y659 PolarHBondContact O-N 2.96Å; Y659-R664 HydrophobicContact CD2-CB 3.77Å; Y659-R664 HydrophobicContact CD2-CG 4.33Å; Y659-R664 HydrophobicContact CE2-CB 3.77Å; Y659-R664 HydrophobicContact CE2-CG 3.88Å | ||
| 660 | T | 80.6 | Confident | 84 | Confident | 76 Ų | 76 | 48.6 Ų | 48.6 | 47% | 0.466 | 27% | 0.267 | S | S | . | . | trans | -79 | 156.3 | 165.6 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | K662 Q663 R664 | T660-K662 PolarHBondContact O-N 3.29Å; T660-Q663 PolarHBondContact O-N 3.14Å; T660-Q663 WeakPolarHBondContact OG1-CG 3.22Å; T660-Q663 PolarHBondContact OG1-N 3.26Å; T660-Q663 PolarHBondContact OG1-OE1 2.55Å; T660-R664 PolarHBondContact O-N 3.36Å | ||
| 661 | D | 78.1 | Confident | 83.7 | Confident | 109 Ų | 109 | 48.6 Ų | 48.6 | 58% | 0.583 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.4 | -28.8 | 174.5 | -73.5 | -52 | 0 | 0 | 0 | 113 | R664 R665 | D661-R664 PolarHBondContact O-N 2.86Å; D661-R665 WeakPolarHBondContact O-CG 3.28Å; D661-R665 PolarHBondContact O-N 3.01Å |
| 662 | K | 76.9 | Confident | 83.3 | Confident | 118 Ų | 118 | 48 Ų | 48 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.2 | -52.6 | 171.2 | -176 | 178.7 | 177.2 | 179.3 | 0 | 110.8 | T660 R664 R665 D666 | T660-K662 PolarHBondContact O-N 3.29Å; K662-R664 PolarHBondContact O-N 2.8Å; K662-R665 PolarHBondContact O-N 2.98Å; K662-D666 WeakPolarHBondContact O-CB 3.47Å; K662-D666 PolarHBondContact O-N 3.42Å; K662-D666 VanDerWaalsContact O-OD1 3.1Å |
| 663 | Q | 78.9 | Confident | 83 | Confident | 79 Ų | 79 | 48.1 Ų | 48.1 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.3 | -35 | 177.2 | -72.2 | 160.2 | -54.9 | 0 | 0 | 112.1 | F632 T660 F667 | F632-Q663 HydrophobicContact CD1-CB 4.45Å; T660-Q663 PolarHBondContact O-N 3.14Å; T660-Q663 WeakPolarHBondContact OG1-CG 3.22Å; T660-Q663 PolarHBondContact OG1-N 3.26Å; T660-Q663 PolarHBondContact OG1-OE1 2.55Å; Q663-F667 WeakPolarHBondContact O-CB 3.44Å; Q663-F667 PolarHBondContact O-N 3.34Å |
| 664 | R | 84.6 | Confident | 82.9 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 172.6 | -167.2 | -169.7 | -178.3 | -117.5 | -13.6 | 112.1 | N606 L655 Y659 T660 D661 K662 L668 | N606-R664 PolarHBondContact ND2-NH1 2.97Å; N606-R664 VanDerWaalsContact ND2-NH1 3.14Å; N606-R664 PolarHBondContact OD1-NH1 3.36Å; N606-R664 PolarHBondContact OD1-NH2 3.06Å; L655-R664 HydrophobicContact CD2-CB 4.36Å; L655-R664 HydrophobicContact CD2-CG 4.2Å; Y659-R664 HydrophobicContact CD2-CB 3.77Å; Y659-R664 HydrophobicContact CD2-CG 4.33Å; Y659-R664 HydrophobicContact CE2-CB 3.77Å; Y659-R664 HydrophobicContact CE2-CG 3.88Å; T660-R664 PolarHBondContact O-N 3.36Å; D661-R664 PolarHBondContact O-N 2.86Å; K662-R664 PolarHBondContact O-N 2.8Å; R664-L668 HydrophobicContact CG-CD1 4.17Å; R664-L668 WeakPolarHBondContact O-CB 3.39Å; R664-L668 VanDerWaalsContact O-CG 3.29Å; R664-L668 WeakPolarHBondContact O-CG 3.42Å; R664-L668 PolarHBondContact O-N 2.77Å |
| 665 | R | 80.8 | Confident | 82.9 | Confident | 119 Ų | 119 | 47.4 Ų | 47.4 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.4 | -47.9 | 178 | -72.6 | -168.2 | -61.1 | -91.5 | 5.8 | 111.4 | P605 D661 K662 F667 L668 S669 | P605-R665 HydrophobicContact CB-CG 4.48Å; P605-R665 HydrophobicContact CG-CB 4.16Å; P605-R665 HydrophobicContact CG-CG 3.81Å; D661-R665 WeakPolarHBondContact O-CG 3.28Å; D661-R665 PolarHBondContact O-N 3.01Å; K662-R665 PolarHBondContact O-N 2.98Å; R665-F667 PolarHBondContact O-N 2.94Å; R665-L668 PolarHBondContact O-N 3.45Å; R665-S669 WeakPolarHBondContact O-CB 3.35Å; R665-S669 PolarHBondContact O-N 2.91Å |
| 666 | D | 78.9 | Confident | 83.2 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 179.1 | -67.8 | 22.8 | 0 | 0 | 0 | 110.3 | F632 K662 S669 E670 R769 | F632-D666 HydrophobicContact CE1-CB 3.87Å; F632-D666 HydrophobicContact CZ-CB 3.9Å; K662-D666 WeakPolarHBondContact O-CB 3.47Å; K662-D666 PolarHBondContact O-N 3.42Å; K662-D666 VanDerWaalsContact O-OD1 3.1Å; D666-S669 PolarHBondContact O-N 3.2Å; D666-S669 PolarHBondContact O-OG 3.11Å; D666-E670 PolarHBondContact O-N 3.35Å; D666-R769 IonicContact OD2-CZ 3.52Å; D666-R769 IonicContact OD2-NE 3.51Å; D666-R769 IonicContact OD2-NH2 3.58Å; D666-R769 PolarHBondContact OD2-NH2 3.23Å |
| 667 | F | 85.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 174.6 | -176.9 | -105.4 | 0 | 0 | 0 | 113.3 | F632 K653 L655 Q663 R665 S669 E670 V695 I697 | F632-F667 HydrophobicContact CB-CD2 3.46Å; F632-F667 VanDerWaalsContact CB-CD2 3.46Å; F632-F667 HydrophobicContact CB-CE2 3.93Å; F632-F667 HydrophobicContact CB-CG 4.37Å; F632-F667 HydrophobicContact CD1-CB 3.97Å; F632-F667 HydrophobicContact CD1-CD2 4.32Å; F632-F667 AromaticContact CD2-CD2 3.84Å; F632-F667 HydrophobicContact CD2-CD2 3.84Å; F632-F667 HydrophobicContact CE1-CB 4.28Å; F632-F667 HydrophobicContact CG-CB 4.1Å; F632-F667 AromaticContact CG-CD2 3.62Å; F632-F667 HydrophobicContact CG-CD2 3.62Å; F632-F667 HydrophobicContact CG-CG 4.33Å; K653-F667 HydrophobicContact CB-CE2 4.28Å; K653-F667 HydrophobicContact CD-CE2 4.02Å; K653-F667 HydrophobicContact CG-CE2 4Å; L655-F667 HydrophobicContact CB-CD1 4.06Å; L655-F667 HydrophobicContact CB-CE1 3.76Å; L655-F667 HydrophobicContact CB-CE2 4.33Å; L655-F667 HydrophobicContact CB-CG 4.47Å; L655-F667 HydrophobicContact CB-CZ 3.89Å; L655-F667 HydrophobicContact CD1-CB 4.07Å; L655-F667 HydrophobicContact CD1-CD1 4.25Å; L655-F667 HydrophobicContact CD1-CD2 4.15Å; L655-F667 HydrophobicContact CD1-CG 3.93Å; L655-F667 HydrophobicContact CD2-CD1 4Å; L655-F667 HydrophobicContact CD2-CE1 4.43Å; L655-F667 HydrophobicContact CD2-CG 4.43Å; L655-F667 HydrophobicContact CG-CD1 4.33Å; Q663-F667 WeakPolarHBondContact O-CB 3.44Å; Q663-F667 PolarHBondContact O-N 3.34Å; R665-F667 PolarHBondContact O-N 2.94Å; F667-S669 VanDerWaalsContact C-N 3.31Å; F667-S669 PolarHBondContact O-N 3.09Å; F667-E670 WeakPolarHBondContact O-CB 3.44Å; F667-E670 PolarHBondContact O-N 3.5Å; F667-V695 HydrophobicContact CD1-CG1 4.33Å; F667-V695 HydrophobicContact CE1-CB 4.3Å; F667-V695 HydrophobicContact CE1-CG1 3.93Å; F667-I697 HydrophobicContact CD1-CD1 3.95Å; F667-I697 HydrophobicContact CD1-CG1 4.25Å; F667-I697 HydrophobicContact CD2-CD1 3.78Å; F667-I697 HydrophobicContact CE1-CD1 3.77Å; F667-I697 HydrophobicContact CE1-CG1 3.66Å; F667-I697 HydrophobicContact CE2-CD1 3.63Å; F667-I697 HydrophobicContact CE2-CG1 4.13Å; F667-I697 HydrophobicContact CG-CD1 3.98Å; F667-I697 HydrophobicContact CZ-CB 4.46Å; F667-I697 HydrophobicContact CZ-CD1 3.63Å; F667-I697 HydrophobicContact CZ-CG1 3.61Å; F667-I697 WeakPolarHBondContact O-CD1 3.44Å |
| 668 | L | 87.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.6 | -25.8 | 178.3 | -71.2 | -179.2 | 0 | 0 | 0 | 113 | V609 R664 R665 S672 T690 V695 | V609-L668 HydrophobicContact CG2-CB 3.8Å; V609-L668 HydrophobicContact CG2-CD2 4.12Å; V609-L668 HydrophobicContact CG2-CG 4.37Å; V609-L668 WeakPolarHBondContact CG2-O 3.49Å; R664-L668 HydrophobicContact CG-CD1 4.17Å; R664-L668 WeakPolarHBondContact O-CB 3.39Å; R664-L668 VanDerWaalsContact O-CG 3.29Å; R664-L668 WeakPolarHBondContact O-CG 3.42Å; R664-L668 PolarHBondContact O-N 2.77Å; R665-L668 PolarHBondContact O-N 3.45Å; L668-S672 PolarHBondContact O-N 2.75Å; L668-S672 PolarHBondContact O-OG 2.98Å; L668-T690 HydrophobicContact CD2-CG2 4.01Å; L668-V695 HydrophobicContact CD2-CG1 4Å |
| 669 | S | 82.6 | Confident | 85.4 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 173.5 | 78.4 | 0 | 0 | 0 | 0 | 111.4 | F600 R665 D666 F667 A671 S672 I673 | F600-S669 WeakPolarHBondContact CZ-OG 3.45Å; R665-S669 WeakPolarHBondContact O-CB 3.35Å; R665-S669 PolarHBondContact O-N 2.91Å; D666-S669 PolarHBondContact O-N 3.2Å; D666-S669 PolarHBondContact O-OG 3.11Å; F667-S669 VanDerWaalsContact C-N 3.31Å; F667-S669 PolarHBondContact O-N 3.09Å; S669-A671 VanDerWaalsContact C-N 3.33Å; S669-A671 PolarHBondContact O-N 2.86Å; S669-S672 CarbonylContact O-C 3.58Å; S669-S672 WeakPolarHBondContact O-CA 3.34Å; S669-S672 WeakPolarHBondContact O-CB 3.38Å; S669-S672 PolarHBondContact O-N 2.89Å; S669-I673 WeakPolarHBondContact O-CG1 3.48Å; S669-I673 PolarHBondContact O-N 3Å |
| 670 | E | 85.6 | Confident | 86.2 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 176.3 | -163.2 | -166.5 | 143.8 | 0 | 0 | 111.4 | K653 D666 F667 I673 M674 | K653-E670 IonicContact NZ-OE1 2.9Å; K653-E670 PolarHBondContact NZ-OE1 2.93Å; K653-E670 IonicContact NZ-OE2 2.7Å; K653-E670 PolarHBondContact NZ-OE2 3.28Å; D666-E670 PolarHBondContact O-N 3.35Å; F667-E670 WeakPolarHBondContact O-CB 3.44Å; F667-E670 PolarHBondContact O-N 3.5Å; E670-I673 PolarHBondContact O-N 3.36Å; E670-M674 HydrophobicContact CG-CE 4.11Å; E670-M674 WeakPolarHBondContact O-CG 3.49Å; E670-M674 PolarHBondContact O-N 2.9Å |
| 671 | A | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.8 | -36.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | S669 I673 M674 G675 L685 V688 I697 | S669-A671 VanDerWaalsContact C-N 3.33Å; S669-A671 PolarHBondContact O-N 2.86Å; A671-I673 VanDerWaalsContact C-N 3.27Å; A671-I673 PolarHBondContact O-N 3.18Å; A671-M674 PolarHBondContact O-N 3.45Å; A671-G675 PolarHBondContact O-N 3Å; A671-L685 HydrophobicContact CB-CD2 4.44Å; A671-L685 WeakPolarHBondContact O-CD2 3.49Å; A671-V688 HydrophobicContact CB-CG1 3.67Å; A671-I697 HydrophobicContact CB-CD1 4.05Å; A671-I697 HydrophobicContact CB-CG1 4.06Å; A671-I697 HydrophobicContact CB-CG2 4.1Å |
| 672 | S | 87.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.2 | -24.7 | 178.1 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | V609 L668 S669 Q676 | V609-S672 VanDerWaalsContact CG2-OG 3.22Å; V609-S672 WeakPolarHBondContact CG2-OG 3.32Å; V609-S672 PolarHBondContact N-OG 2.93Å; L668-S672 PolarHBondContact O-N 2.75Å; L668-S672 PolarHBondContact O-OG 2.98Å; S669-S672 CarbonylContact O-C 3.58Å; S669-S672 WeakPolarHBondContact O-CA 3.34Å; S669-S672 WeakPolarHBondContact O-CB 3.38Å; S669-S672 PolarHBondContact O-N 2.89Å; S672-Q676 PolarHBondContact O-NE2 3.43Å; S672-Q676 VanDerWaalsContact O-NE2 3.08Å |
| 673 | I | 87.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -77.1 | -53.4 | 170.9 | -65 | 160.4 | 0 | 0 | 0 | 109.6 | Y596 P599 S669 E670 A671 G675 Q676 F677 Y742 F765 S768 | Y596-I673 HydrophobicContact CE2-CG1 4.3Å; Y596-I673 HydrophobicContact CE2-CG2 4.21Å; P599-I673 HydrophobicContact CG-CG1 4Å; S669-I673 WeakPolarHBondContact O-CG1 3.48Å; S669-I673 PolarHBondContact O-N 3Å; E670-I673 PolarHBondContact O-N 3.36Å; A671-I673 VanDerWaalsContact C-N 3.27Å; A671-I673 PolarHBondContact O-N 3.18Å; I673-G675 VanDerWaalsContact C-N 3.26Å; I673-G675 PolarHBondContact O-N 3.37Å; I673-Q676 PolarHBondContact O-N 3.46Å; I673-Q676 VanDerWaalsContact O-N 3.08Å; I673-F677 HydrophobicContact CG2-CD2 4.39Å; I673-F677 HydrophobicContact CG2-CE2 3.55Å; I673-F677 HydrophobicContact CG2-CZ 4.11Å; I673-Y742 HydrophobicContact CG2-CE2 3.9Å; I673-F765 HydrophobicContact CB-CB 4.35Å; I673-F765 HydrophobicContact CD1-CB 4.31Å; I673-F765 HydrophobicContact CG2-CB 3.82Å; I673-F765 HydrophobicContact CG2-CD1 4.06Å; I673-F765 HydrophobicContact CG2-CG 3.88Å; I673-S768 WeakPolarHBondContact CD1-OG 3.27Å |
| 674 | M | 90.4 | Very high | 89.6 | Confident | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -36.7 | -178.9 | -71.3 | -173.2 | -69.9 | 0 | 0 | 113 | E670 A671 Q676 F677 I683 L685 I697 T699 F765 | E670-M674 HydrophobicContact CG-CE 4.11Å; E670-M674 WeakPolarHBondContact O-CG 3.49Å; E670-M674 PolarHBondContact O-N 2.9Å; A671-M674 PolarHBondContact O-N 3.45Å; M674-Q676 PolarHBondContact O-N 3.07Å; M674-F677 PolarHBondContact O-N 3.25Å; M674-F677 VanDerWaalsContact O-N 3.12Å; M674-I683 HydrophobicContact SD-CG2 3.93Å; M674-L685 HydrophobicContact CB-CB 4.09Å; M674-L685 HydrophobicContact CB-CD2 4.42Å; M674-L685 HydrophobicContact CE-CD1 4.44Å; M674-I697 HydrophobicContact CE-CG2 3.78Å; M674-T699 HydrophobicContact CE-CG2 4.34Å; M674-T699 HydrophobicContact SD-CG2 4.19Å; M674-F765 HydrophobicContact CG-CD2 3.41Å; M674-F765 VanDerWaalsContact CG-CD2 3.41Å; M674-F765 HydrophobicContact CG-CE2 3.65Å; M674-F765 HydrophobicContact CG-CG 4.5Å; M674-F765 HydrophobicContact SD-CD2 4.13Å; M674-F765 HydrophobicContact SD-CE2 4.34Å |
| 675 | G | 90.1 | Very high | 90.1 | Very high | 29 Ų | 29 | 28.3 Ų | 28.3 | 30% | 0.299 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F612 A671 I673 | F612-G675 CarbonylContact O-C 3.59Å; F612-G675 VanDerWaalsContact O-CA 3.24Å; F612-G675 WeakPolarHBondContact O-CA 3.49Å; A671-G675 PolarHBondContact O-N 3Å; I673-G675 VanDerWaalsContact C-N 3.26Å; I673-G675 PolarHBondContact O-N 3.37Å |
| 676 | Q | 90.4 | Very high | 90.7 | Very high | 29 Ų | 29 | 24.2 Ų | 24.2 | 14% | 0.136 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -9.6 | 175.3 | -67.1 | 178.6 | 61.8 | 0 | 0 | 113.6 | V597 F612 S672 I673 M674 | V597-Q676 PolarHBondContact O-NE2 3.42Å; V597-Q676 PolarHBondContact O-OE1 2.86Å; F612-Q676 HydrophobicContact CB-CG 4.1Å; F612-Q676 HydrophobicContact CD1-CG 3.59Å; F612-Q676 HydrophobicContact CD2-CG 4.2Å; F612-Q676 HydrophobicContact CE1-CG 4.05Å; F612-Q676 HydrophobicContact CG-CG 3.69Å; S672-Q676 PolarHBondContact O-NE2 3.43Å; S672-Q676 VanDerWaalsContact O-NE2 3.08Å; I673-Q676 PolarHBondContact O-N 3.46Å; I673-Q676 VanDerWaalsContact O-N 3.08Å; M674-Q676 PolarHBondContact O-N 3.07Å |
| 677 | F | 92.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | trans | -112.3 | 129.6 | -170.7 | -58.3 | -35.7 | 0 | 0 | 0 | 112.9 | Y596 I673 M674 I682 Y736 L737 M740 Y742 F765 | Y596-F677 HydrophobicContact CD2-CE1 4.04Å; Y596-F677 AromaticContact CD2-CZ 3.83Å; Y596-F677 HydrophobicContact CD2-CZ 3.83Å; Y596-F677 HydrophobicContact CE2-CZ 4.25Å; I673-F677 HydrophobicContact CG2-CD2 4.39Å; I673-F677 HydrophobicContact CG2-CE2 3.55Å; I673-F677 HydrophobicContact CG2-CZ 4.11Å; M674-F677 PolarHBondContact O-N 3.25Å; M674-F677 VanDerWaalsContact O-N 3.12Å; F677-I682 HydrophobicContact CB-CG2 3.98Å; F677-I682 HydrophobicContact CD2-CG2 4.38Å; F677-Y736 HydrophobicContact CB-CE1 3.96Å; F677-Y736 AromaticContact CD1-CE1 3.93Å; F677-Y736 HydrophobicContact CD1-CE1 3.93Å; F677-Y736 HydrophobicContact CG-CE1 4.2Å; F677-L737 HydrophobicContact CD1-CD2 4.05Å; F677-L737 HydrophobicContact CD2-CD2 3.74Å; F677-L737 HydrophobicContact CE1-CD2 3.88Å; F677-L737 HydrophobicContact CE2-CD2 3.53Å; F677-L737 HydrophobicContact CG-CD2 4Å; F677-L737 HydrophobicContact CZ-CD2 3.63Å; F677-M740 HydrophobicContact CD1-CE 4.37Å; F677-M740 HydrophobicContact CE1-CB 4.43Å; F677-M740 HydrophobicContact CE1-CE 4.46Å; F677-Y742 HydrophobicContact CE2-CD1 4.36Å; F677-Y742 HydrophobicContact CE2-CD2 4.49Å; F677-Y742 HydrophobicContact CE2-CE1 4.49Å; F677-Y742 HydrophobicContact CE2-CG 4.35Å; F677-Y742 HydrophobicContact CZ-CD1 4.07Å; F677-Y742 AromaticContact CZ-CD2 3.78Å; F677-Y742 HydrophobicContact CZ-CD2 3.78Å; F677-Y742 HydrophobicContact CZ-CE2 4.28Å; F677-Y742 AromaticContact CZ-CG 3.65Å; F677-Y742 HydrophobicContact CZ-CG 3.65Å; F677-F765 HydrophobicContact CD2-CE1 4.25Å; F677-F765 HydrophobicContact CD2-CZ 4.13Å; F677-F765 HydrophobicContact CE2-CD1 4.29Å; F677-F765 AromaticContact CE2-CE1 3.94Å; F677-F765 HydrophobicContact CE2-CE1 3.94Å; F677-F765 HydrophobicContact CE2-CZ 4.28Å | ||
| 678 | D | 92.4 | Very high | 91.9 | Very high | 126 Ų | 126 | 23.2 Ų | 23.2 | 67% | 0.674 | 13% | 0.13 | S | C | * | . | trans | -136.8 | 99.6 | 174.1 | -175.9 | 18.9 | 0 | 0 | 0 | 109.7 | Y736 | D678-Y736 PolarHBondContact N-OH 3.17Š| ||
| 679 | H | 95.8 | Very high | 92.2 | Very high | 36 Ų | 36 | 23.2 Ų | 23.2 | 17% | 0.167 | 13% | 0.13 | C | C | . | . | trans | -159.9 | 138.4 | 180 | 177.1 | -91.9 | 0 | 0 | 0 | 110.3 | N681 I682 S732 Y736 | H679-N681 PolarHBondContact ND1-N 2.92Å; H679-N681 VanDerWaalsContact ND1-N 3.16Å; H679-N681 PolarHBondContact O-N 3.19Å; H679-I682 HydrophobicContact CB-CB 4.44Å; H679-I682 HydrophobicContact CB-CG1 3.93Å; H679-I682 PolarHBondContact O-N 2.88Å; H679-S732 VanDerWaalsContact CE1-C 3.43Å; H679-S732 PolarHBondContact CE1-O 3.24Å; H679-S732 PolarHBondContact NE2-OG 3.13Å; H679-Y736 HydrophobicContact CB-CD1 3.71Å; H679-Y736 HydrophobicContact CB-CD2 3.89Å; H679-Y736 HydrophobicContact CB-CE1 3.95Å; H679-Y736 HydrophobicContact CB-CE2 4.12Å; H679-Y736 HydrophobicContact CB-CG 3.67Å; H679-Y736 AromaticContact CD2-CG 3.98Å; H679-Y736 AromaticContact CG-CG 3.78Å | ||
| 680 | P | 95.7 | Very high | 92.6 | Very high | 88 Ų | 88 | 24.6 Ų | 24.6 | 57% | 0.571 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -9.7 | -172.6 | 24.2 | -36.6 | 0 | 0 | 0 | 116.4 | K761 | P680-K761 WeakPolarHBondContact O-CE 3.41Š|
| 681 | N | 97.6 | Very high | 92.6 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 18.3 | 172.3 | -58.5 | 106 | 0 | 0 | 0 | 113.9 | H679 G729 C760 K761 V762 | H679-N681 PolarHBondContact ND1-N 2.92Å; H679-N681 VanDerWaalsContact ND1-N 3.16Å; H679-N681 PolarHBondContact O-N 3.19Å; N681-G729 WeakPolarHBondContact CB-O 3.29Å; N681-G729 WeakPolarHBondContact ND2-CA 3.32Å; N681-G729 PolarHBondContact OD1-O 2.59Å; N681-C760 PolarHBondContact ND2-O 2.86Å; N681-K761 WeakPolarHBondContact O-CA 3.38Å; N681-V762 PolarHBondContact O-N 3.31Å |
| 682 | I | 96.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -112.8 | 146.2 | 166.3 | -56.1 | -58.9 | 0 | 0 | 0 | 107.7 | F677 H679 H684 Y736 L737 K761 V762 F765 | F677-I682 HydrophobicContact CB-CG2 3.98Å; F677-I682 HydrophobicContact CD2-CG2 4.38Å; H679-I682 HydrophobicContact CB-CB 4.44Å; H679-I682 HydrophobicContact CB-CG1 3.93Å; H679-I682 PolarHBondContact O-N 2.88Å; I682-H684 PolarHBondContact O-N 3.08Å; I682-Y736 HydrophobicContact CG1-CD1 3.97Å; I682-Y736 HydrophobicContact CG1-CE1 4.44Å; I682-L737 HydrophobicContact CD1-CD1 3.86Å; I682-L737 HydrophobicContact CD1-CD2 4.14Å; I682-L737 HydrophobicContact CD1-CG 3.79Å; I682-K761 WeakPolarHBondContact O-CD 3.19Å; I682-V762 HydrophobicContact CD1-CB 3.81Å; I682-V762 HydrophobicContact CD1-CG2 4.13Å; I682-F765 HydrophobicContact CG2-CZ 3.99Å |
| 683 | I | 95.6 | Very high | 92 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | -66.3 | 128.2 | 175.7 | -165.9 | 70.6 | 0 | 0 | 0 | 110.6 | M674 T699 E700 M702 L753 K761 V762 F765 | M674-I683 HydrophobicContact SD-CG2 3.93Å; I683-T699 HydrophobicContact CG1-CG2 4.42Å; I683-E700 HydrophobicContact CD1-CG 3.53Å; I683-E700 HydrophobicContact CG1-CG 4.4Å; I683-M702 HydrophobicContact CD1-CG 3.65Å; I683-M702 HydrophobicContact CD1-SD 4.14Å; I683-L753 HydrophobicContact CD1-CD1 3.92Å; I683-L753 HydrophobicContact CG1-CD1 4.4Å; I683-K761 HydrophobicContact CD1-CD 4.49Å; I683-V762 WeakPolarHBondContact CG2-O 3.32Å; I683-V762 PolarHBondContact N-O 3.12Å; I683-F765 HydrophobicContact CG2-CE2 4Å | ||
| 684 | H | 94.6 | Very high | 92 | Very high | 73 Ų | 73 | 46 Ų | 46 | 34% | 0.338 | 24% | 0.243 | S | C | . | . | trans | -89.9 | 134 | -175 | -171.7 | 66.8 | 0 | 0 | 0 | 112.2 | I682 E686 T699 E700 | I682-H684 PolarHBondContact O-N 3.08Å; H684-E686 IonicContact CD2-OE1 2.59Å; H684-T699 WeakPolarHBondContact O-CA 3.17Å; H684-T699 VanDerWaalsContact O-CB 3.26Å; H684-T699 WeakPolarHBondContact O-CB 3.45Å; H684-E700 VanDerWaalsContact CB-OE1 3.31Å; H684-E700 WeakPolarHBondContact CB-OE1 3.39Å; H684-E700 PolarHBondContact N-OE1 2.77Å; H684-E700 PolarHBondContact O-N 2.86Å; H684-E700 VanDerWaalsContact O-N 3.08Å | ||
| 685 | L | 95.3 | Very high | 92 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.089 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 108.4 | 173.2 | -178.8 | 72.1 | 0 | 0 | 0 | 110.4 | A613 A671 M674 G687 I697 T699 | A613-L685 HydrophobicContact CB-CD2 3.78Å; A671-L685 HydrophobicContact CB-CD2 4.44Å; A671-L685 WeakPolarHBondContact O-CD2 3.49Å; M674-L685 HydrophobicContact CB-CB 4.09Å; M674-L685 HydrophobicContact CB-CD2 4.42Å; M674-L685 HydrophobicContact CE-CD1 4.44Å; L685-G687 VanDerWaalsContact C-N 3.32Å; L685-G687 WeakPolarHBondContact CD1-O 3.44Å; L685-I697 HydrophobicContact CD1-CG2 3.49Å; L685-I697 VanDerWaalsContact CD1-CG2 3.49Å; L685-T699 HydrophobicContact CD1-CG2 4.45Å |
| 686 | E | 94.6 | Very high | 92.1 | Very high | 32 Ų | 32 | 45 Ų | 45 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -30.2 | 172.5 | -75.6 | -72.3 | 163.2 | 0 | 0 | 112 | L640 I648 V650 H684 I698 | L640-E686 HydrophobicContact CD2-CB 3.82Å; L640-E686 HydrophobicContact CD2-CG 4.2Å; I648-E686 VanDerWaalsContact CD1-CD 3.46Å; I648-E686 HydrophobicContact CD1-CG 4.06Å; I648-E686 VanDerWaalsContact CD1-OE1 3.3Å; I648-E686 WeakPolarHBondContact CD1-OE1 3.45Å; V650-E686 HydrophobicContact CG1-CG 4.28Å; H684-E686 IonicContact CD2-OE1 2.59Å; E686-I698 HydrophobicContact CB-CG2 4.19Å; E686-I698 PolarHBondContact N-O 3.37Å |
| 687 | G | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | -165.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K614 L685 I698 | K614-G687 CarbonylContact O-C 3.56Å; K614-G687 WeakPolarHBondContact O-CA 3.35Å; L685-G687 VanDerWaalsContact C-N 3.32Å; L685-G687 WeakPolarHBondContact CD1-O 3.44Å; G687-I698 PolarHBondContact N-O 2.88Å; G687-I698 PolarHBondContact O-N 2.96Å |
| 688 | V | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 160 | -178.8 | -67.4 | 0 | 0 | 0 | 0 | 111.1 | V609 A613 K614 E615 I616 A671 T690 M696 I697 | V609-V688 HydrophobicContact CG1-CG2 3.79Å; A613-V688 HydrophobicContact CB-CG1 4.11Å; A613-V688 HydrophobicContact CB-CG2 4.07Å; K614-V688 PolarHBondContact O-N 2.89Å; E615-V688 CarbonylContact C-O 3.54Å; E615-V688 WeakPolarHBondContact CA-O 3.36Å; I616-V688 PolarHBondContact N-O 3.22Å; A671-V688 HydrophobicContact CB-CG1 3.67Å; V688-T690 HydrophobicContact CB-CG2 4.26Å; V688-T690 HydrophobicContact CG2-CG2 4.02Å; V688-M696 CarbonylContact C-O 3.52Å; V688-M696 VanDerWaalsContact CA-O 3.31Å; V688-M696 WeakPolarHBondContact CA-O 3.36Å; V688-I697 HydrophobicContact CG1-CG1 4.48Å |
| 689 | V | 93.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 114.3 | 164.5 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | I616 A618 I621 C692 V695 M696 I698 | I616-V689 HydrophobicContact CB-CG2 4.32Å; A618-V689 HydrophobicContact CB-CG1 4.28Å; I621-V689 HydrophobicContact CD1-CG2 3.53Å; V689-C692 WeakPolarHBondContact CG1-SG 3.37Å; V689-V695 WeakPolarHBondContact O-CA 3.29Å; V689-V695 VanDerWaalsContact O-CG1 3.32Å; V689-V695 WeakPolarHBondContact O-CG1 3.37Å; V689-M696 HydrophobicContact CB-CB 4.15Å; V689-M696 HydrophobicContact CB-CE 4.02Å; V689-M696 HydrophobicContact CG1-CE 4.07Å; V689-M696 HydrophobicContact CG2-CB 4.43Å; V689-M696 HydrophobicContact CG2-CE 4.05Å; V689-M696 PolarHBondContact N-O 2.76Å; V689-M696 PolarHBondContact O-N 2.91Å; V689-I698 HydrophobicContact CG2-CD1 3.94Å |
| 690 | T | 91 | Very high | 92.5 | Very high | 37 Ų | 37 | 38.5 Ų | 38.5 | 23% | 0.227 | 20% | 0.198 | C | C | . | . | trans | -120.3 | -19.6 | -178.6 | 66.8 | 0 | 0 | 0 | 0 | 113.5 | V609 E615 L668 V688 C692 V695 | V609-T690 HydrophobicContact CG1-CG2 4.11Å; E615-T690 VanDerWaalsContact CD-OG1 3.31Å; E615-T690 PolarHBondContact OE1-N 3.16Å; E615-T690 PolarHBondContact OE1-OG1 2.94Å; E615-T690 WeakPolarHBondContact OE2-CB 3.16Å; E615-T690 PolarHBondContact OE2-N 2.9Å; E615-T690 VanDerWaalsContact OE2-N 3.12Å; E615-T690 PolarHBondContact OE2-OG1 3.01Å; L668-T690 HydrophobicContact CD2-CG2 4.01Å; V688-T690 HydrophobicContact CB-CG2 4.26Å; V688-T690 HydrophobicContact CG2-CG2 4.02Å; T690-C692 PolarHBondContact O-N 3.22Å; T690-V695 HydrophobicContact CG2-CG1 4.45Å | ||
| 691 | K | 86.1 | Confident | 92.5 | Very high | 179 Ų | 179 | 37.6 Ų | 37.6 | 78% | 0.778 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -75.4 | -14.7 | -178.2 | -72.1 | 165.4 | -177.7 | 167.4 | 0 | 115.5 | E615 | E615-K691 HydrophobicContact CG-CD 3.92Å; E615-K691 HydrophobicContact CG-CG 4.47Å; E615-K691 WeakPolarHBondContact OE1-CB 3.4Å; E615-K691 WeakPolarHBondContact OE1-CD 3.24Å; E615-K691 VanDerWaalsContact OE1-CG 3.26Å; E615-K691 WeakPolarHBondContact OE1-CG 3.44Å; E615-K691 PolarHBondContact OE1-N 3.44Å |
| 692 | C | 82.1 | Confident | 92.3 | Very high | 53 Ų | 53 | 37.4 Ų | 37.4 | 36% | 0.358 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -137.2 | 179.6 | 177.4 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | V689 T690 | V689-C692 WeakPolarHBondContact CG1-SG 3.37Å; T690-C692 PolarHBondContact O-N 3.22Å |
| 693 | K | 81.7 | Confident | 92.2 | Very high | 168 Ų | 168 | 41.5 Ų | 41.5 | 73% | 0.73 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -112.6 | 142 | 175.8 | -68.3 | -175 | 178.5 | -178.7 | 0 | 110 | ||
| 694 | P | 88.1 | Confident | 92.1 | Very high | 60 Ų | 60 | 44 Ų | 44 | 39% | 0.39 | 22% | 0.215 | S | C | . | . | S | Bend | cis | -67.3 | 154.1 | -5 | 30.6 | -36 | 0 | 0 | 0 | 112.3 | M696 | P694-M696 HydrophobicContact CG-CE 4.48Å; P694-M696 HydrophobicContact CG-CG 4.32Å; P694-M696 HydrophobicContact CG-SD 4.41Å |
| 695 | V | 90.4 | Very high | 92 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | trans | -73.2 | 136.5 | 169.4 | -173.1 | 0 | 0 | 0 | 0 | 107.4 | L655 F667 L668 V689 T690 | L655-V695 HydrophobicContact CB-CB 4.14Å; L655-V695 HydrophobicContact CD2-CB 4.2Å; L655-V695 HydrophobicContact CD2-CG2 4.38Å; L655-V695 PolarHBondContact N-O 3.31Å; F667-V695 HydrophobicContact CD1-CG1 4.33Å; F667-V695 HydrophobicContact CE1-CB 4.3Å; F667-V695 HydrophobicContact CE1-CG1 3.93Å; L668-V695 HydrophobicContact CD2-CG1 4Å; V689-V695 WeakPolarHBondContact O-CA 3.29Å; V689-V695 VanDerWaalsContact O-CG1 3.32Å; V689-V695 WeakPolarHBondContact O-CG1 3.37Å; T690-V695 HydrophobicContact CG2-CG1 4.45Å | ||
| 696 | M | 93.3 | Very high | 92 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146.7 | -173.3 | -64 | 177.5 | -87.5 | 0 | 0 | 112.7 | I623 I652 K653 T654 V688 V689 P694 I698 | I623-M696 HydrophobicContact CD1-SD 4.47Å; I652-M696 HydrophobicContact CG2-CB 4.19Å; I652-M696 HydrophobicContact CG2-CG 4.09Å; I652-M696 HydrophobicContact CG2-SD 3.76Å; K653-M696 CarbonylContact O-C 3.48Å; K653-M696 VanDerWaalsContact O-CA 3.31Å; K653-M696 WeakPolarHBondContact O-CA 3.45Å; T654-M696 HydrophobicContact CG2-CG 4.23Å; V688-M696 CarbonylContact C-O 3.52Å; V688-M696 VanDerWaalsContact CA-O 3.31Å; V688-M696 WeakPolarHBondContact CA-O 3.36Å; V689-M696 HydrophobicContact CB-CB 4.15Å; V689-M696 HydrophobicContact CB-CE 4.02Å; V689-M696 HydrophobicContact CG1-CE 4.07Å; V689-M696 HydrophobicContact CG2-CB 4.43Å; V689-M696 HydrophobicContact CG2-CE 4.05Å; V689-M696 PolarHBondContact N-O 2.76Å; V689-M696 PolarHBondContact O-N 2.91Å; P694-M696 HydrophobicContact CG-CE 4.48Å; P694-M696 HydrophobicContact CG-CG 4.32Å; P694-M696 HydrophobicContact CG-SD 4.41Å; M696-I698 HydrophobicContact CB-CD1 3.94Å |
| 697 | I | 93.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.8 | 168.3 | -54.4 | 169.8 | 0 | 0 | 0 | 106.8 | I652 K653 F667 A671 M674 L685 V688 | I652-I697 WeakPolarHBondContact CA-O 3.42Å; K653-I697 HydrophobicContact CB-CB 4.17Å; K653-I697 PolarHBondContact N-O 3.33Å; K653-I697 PolarHBondContact O-N 3.35Å; F667-I697 HydrophobicContact CD1-CD1 3.95Å; F667-I697 HydrophobicContact CD1-CG1 4.25Å; F667-I697 HydrophobicContact CD2-CD1 3.78Å; F667-I697 HydrophobicContact CE1-CD1 3.77Å; F667-I697 HydrophobicContact CE1-CG1 3.66Å; F667-I697 HydrophobicContact CE2-CD1 3.63Å; F667-I697 HydrophobicContact CE2-CG1 4.13Å; F667-I697 HydrophobicContact CG-CD1 3.98Å; F667-I697 HydrophobicContact CZ-CB 4.46Å; F667-I697 HydrophobicContact CZ-CD1 3.63Å; F667-I697 HydrophobicContact CZ-CG1 3.61Å; F667-I697 WeakPolarHBondContact O-CD1 3.44Å; A671-I697 HydrophobicContact CB-CD1 4.05Å; A671-I697 HydrophobicContact CB-CG1 4.06Å; A671-I697 HydrophobicContact CB-CG2 4.1Å; M674-I697 HydrophobicContact CE-CG2 3.78Å; L685-I697 HydrophobicContact CD1-CG2 3.49Å; L685-I697 VanDerWaalsContact CD1-CG2 3.49Å; V688-I697 HydrophobicContact CG1-CG1 4.48Å |
| 698 | I | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 111.4 | -172.8 | -57.7 | 88.1 | 0 | 0 | 0 | 108.6 | I616 I621 L640 V650 A651 I652 E686 G687 V689 M696 | I616-I698 HydrophobicContact CD1-CB 4.39Å; I616-I698 HydrophobicContact CD1-CD1 4.44Å; I621-I698 HydrophobicContact CD1-CD1 3.8Å; I621-I698 HydrophobicContact CD1-CG1 3.86Å; L640-I698 HydrophobicContact CD2-CG2 4.39Å; V650-I698 HydrophobicContact CB-CG2 3.6Å; V650-I698 HydrophobicContact CG1-CG2 3.71Å; V650-I698 HydrophobicContact CG2-CG2 3.86Å; A651-I698 WeakPolarHBondContact O-CA 3.46Å; I652-I698 HydrophobicContact CG1-CG1 4.48Å; E686-I698 HydrophobicContact CB-CG2 4.19Å; E686-I698 PolarHBondContact N-O 3.37Å; G687-I698 PolarHBondContact N-O 2.88Å; G687-I698 PolarHBondContact O-N 2.96Å; V689-I698 HydrophobicContact CG2-CD1 3.94Å; M696-I698 HydrophobicContact CB-CD1 3.94Å |
| 699 | T | 95.3 | Very high | 92.1 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 169.2 | 174.8 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | V650 A651 M674 I683 H684 L685 | V650-T699 CarbonylContact C-O 3.55Å; V650-T699 VanDerWaalsContact CA-O 3.31Å; V650-T699 WeakPolarHBondContact CA-O 3.45Å; V650-T699 VanDerWaalsContact CB-O 3.31Å; V650-T699 WeakPolarHBondContact CB-O 3.26Å; A651-T699 PolarHBondContact N-O 3.26Å; A651-T699 PolarHBondContact O-N 3.05Å; M674-T699 HydrophobicContact CE-CG2 4.34Å; M674-T699 HydrophobicContact SD-CG2 4.19Å; I683-T699 HydrophobicContact CG1-CG2 4.42Å; H684-T699 WeakPolarHBondContact O-CA 3.17Å; H684-T699 VanDerWaalsContact O-CB 3.26Å; H684-T699 WeakPolarHBondContact O-CB 3.45Å; L685-T699 HydrophobicContact CD1-CG2 4.45Å |
| 700 | E | 94.4 | Very high | 92.2 | Very high | 38 Ų | 38 | 45 Ų | 45 | 18% | 0.178 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 152.6 | 164.4 | 71.4 | -169.3 | 123.7 | 0 | 0 | 111.7 | I683 H684 M702 K761 | I683-E700 HydrophobicContact CD1-CG 3.53Å; I683-E700 HydrophobicContact CG1-CG 4.4Å; H684-E700 VanDerWaalsContact CB-OE1 3.31Å; H684-E700 WeakPolarHBondContact CB-OE1 3.39Å; H684-E700 PolarHBondContact N-OE1 2.77Å; H684-E700 PolarHBondContact O-N 2.86Å; H684-E700 VanDerWaalsContact O-N 3.08Å; E700-M702 HydrophobicContact CG-CG 4.46Å; E700-M702 HydrophobicContact CG-SD 4.13Å; E700-K761 WeakPolarHBondContact OE1-CD 3.47Å; E700-K761 WeakPolarHBondContact OE1-CE 3.45Å; E700-K761 IonicContact OE1-NZ 2.74Å; E700-K761 PolarHBondContact OE1-NZ 2.9Å; E700-K761 VanDerWaalsContact OE2-CE 3.32Å; E700-K761 WeakPolarHBondContact OE2-CE 3.41Å; E700-K761 IonicContact OE2-NZ 2.87Å; E700-K761 PolarHBondContact OE2-NZ 2.86Å |
| 701 | Y | 94.9 | Very high | 92.4 | Very high | 70 Ų | 70 | 43.3 Ų | 43.3 | 28% | 0.275 | 23% | 0.228 | S | C | . | . | trans | -90.3 | 136 | 175.6 | -175.7 | -111.7 | 0 | 0 | 0 | 111.4 | I627 C649 A651 E703 | I627-Y701 HydrophobicContact CD1-CD2 4.35Å; I627-Y701 HydrophobicContact CD1-CE2 3.83Å; C649-Y701 HydrophobicContact CB-CD1 4.12Å; C649-Y701 HydrophobicContact CB-CG 4.24Å; C649-Y701 PolarHBondContact O-N 2.85Å; A651-Y701 HydrophobicContact CB-CD2 4.38Å; Y701-E703 HydrophobicContact CD1-CG 3.92Å; Y701-E703 HydrophobicContact CE1-CB 4.15Å; Y701-E703 HydrophobicContact CE1-CG 3.81Å | ||
| 702 | M | 94.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | trans | -118.9 | 100.5 | -176.5 | -61.9 | -66.5 | -74.4 | 0 | 0 | 108.9 | I683 E700 N704 G705 L753 V754 N755 K761 | I683-M702 HydrophobicContact CD1-CG 3.65Å; I683-M702 HydrophobicContact CD1-SD 4.14Å; E700-M702 HydrophobicContact CG-CG 4.46Å; E700-M702 HydrophobicContact CG-SD 4.13Å; M702-N704 PolarHBondContact O-N 3.45Å; M702-N704 VanDerWaalsContact O-N 3.15Å; M702-G705 PolarHBondContact O-N 2.94Å; M702-L753 HydrophobicContact CB-CB 3.89Å; M702-L753 HydrophobicContact CB-CD1 4.49Å; M702-L753 VanDerWaalsContact CE-C 3.48Å; M702-L753 HydrophobicContact CE-CB 3.92Å; M702-L753 VanDerWaalsContact CE-O 3.27Å; M702-L753 WeakPolarHBondContact CE-O 3.37Å; M702-L753 HydrophobicContact CG-CB 3.78Å; M702-L753 HydrophobicContact CG-CD1 4.15Å; M702-V754 CarbonylContact C-O 3.47Å; M702-N755 HydrophobicContact CE-CB 3.93Å; M702-N755 HydrophobicContact SD-CB 3.93Å; M702-K761 HydrophobicContact CE-CB 3.87Å; M702-K761 HydrophobicContact CE-CD 3.79Å; M702-K761 HydrophobicContact CE-CG 3.68Å; M702-K761 HydrophobicContact SD-CD 3.92Å; M702-K761 HydrophobicContact SD-CG 4.47Å | ||
| 703 | E | 93.2 | Very high | 93.1 | Very high | 89 Ų | 89 | 46.3 Ų | 46.3 | 42% | 0.416 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -22.7 | -161.2 | -53 | 96.5 | 133.4 | 0 | 0 | 114.6 | Y701 N755 S756 | Y701-E703 HydrophobicContact CD1-CG 3.92Å; Y701-E703 HydrophobicContact CE1-CB 4.15Å; Y701-E703 HydrophobicContact CE1-CG 3.81Å; E703-N755 WeakPolarHBondContact OE2-CA 3.34Å; E703-N755 VanDerWaalsContact OE2-CB 3.29Å; E703-N755 WeakPolarHBondContact OE2-CB 3.41Å; E703-S756 VanDerWaalsContact CD-CB 3.48Å; E703-S756 WeakPolarHBondContact OE1-CB 3.2Å; E703-S756 PolarHBondContact OE1-OG 3.36Å; E703-S756 PolarHBondContact OE2-N 3.32Å |
| 704 | N | 94 | Very high | 93.5 | Very high | 58 Ų | 58 | 39.6 Ų | 39.6 | 31% | 0.31 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -2.9 | -176.9 | -78 | -47.7 | 0 | 0 | 0 | 113.7 | M702 F710 V754 N755 | M702-N704 PolarHBondContact O-N 3.45Å; M702-N704 VanDerWaalsContact O-N 3.15Å; N704-F710 HydrophobicContact CB-CD2 3.52Å; N704-F710 HydrophobicContact CB-CE2 3.71Å; N704-F710 HydrophobicContact CB-CG 4.08Å; N704-F710 HydrophobicContact CB-CZ 4.42Å; N704-F710 VanDerWaalsContact OD1-CE2 3.28Å; N704-F710 WeakPolarHBondContact OD1-CE2 3.35Å; N704-V754 HydrophobicContact CB-CB 3.93Å; N704-V754 HydrophobicContact CB-CG1 4.13Å; N704-V754 WeakPolarHBondContact CB-O 3.28Å; N704-V754 PolarHBondContact N-O 3.06Å; N704-N755 PolarHBondContact ND2-O 2.96Å |
| 705 | G | 93.1 | Very high | 93.4 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.2 | -148.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M702 L753 V754 | M702-G705 PolarHBondContact O-N 2.94Å; G705-L753 CarbonylContact O-C 3.59Å; G705-L753 WeakPolarHBondContact O-CA 3.13Å; G705-V754 PolarHBondContact O-N 2.98Å |
| 706 | S | 94.9 | Very high | 92.9 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 144.9 | 178 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | D708 A709 F710 R750 I752 | S706-D708 VanDerWaalsContact C-N 3.32Å; S706-D708 VanDerWaalsContact CB-OD1 3.3Å; S706-D708 WeakPolarHBondContact CB-OD1 3.15Å; S706-D708 PolarHBondContact O-N 3.36Å; S706-D708 PolarHBondContact OG-OD1 3.09Å; S706-A709 PolarHBondContact O-N 3.11Å; S706-F710 VanDerWaalsContact O-CB 3.28Å; S706-F710 WeakPolarHBondContact O-CB 3.4Å; S706-F710 PolarHBondContact O-N 2.86Å; S706-R750 VanDerWaalsContact CB-O 3.29Å; S706-R750 WeakPolarHBondContact CB-O 3.49Å; S706-I752 CarbonylContact C-O 3.18Å; S706-I752 WeakPolarHBondContact CA-O 3.28Å |
| 707 | L | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -36.8 | -175.5 | 177.5 | 60.1 | 0 | 0 | 0 | 112.1 | F710 L711 M726 I730 A749 I752 V754 V817 | L707-F710 HydrophobicContact CD1-CD1 4.43Å; L707-F710 PolarHBondContact O-N 3.11Å; L707-L711 HydrophobicContact CD1-CD1 3.84Å; L707-L711 HydrophobicContact CD1-CD2 4.39Å; L707-L711 HydrophobicContact CD1-CG 3.83Å; L707-L711 HydrophobicContact CG-CD1 3.78Å; L707-L711 HydrophobicContact CG-CG 4.26Å; L707-L711 VanDerWaalsContact O-CB 3.31Å; L707-L711 WeakPolarHBondContact O-CB 3.39Å; L707-L711 WeakPolarHBondContact O-CD1 3.4Å; L707-L711 WeakPolarHBondContact O-CG 3.47Å; L707-L711 PolarHBondContact O-N 2.97Å; L707-M726 HydrophobicContact CD1-SD 4Å; L707-I730 HydrophobicContact CD2-CD1 3.66Å; L707-A749 WeakPolarHBondContact CB-O 3.36Å; L707-A749 PolarHBondContact N-O 3.01Å; L707-I752 HydrophobicContact CB-CB 3.92Å; L707-I752 HydrophobicContact CB-CG2 4.06Å; L707-I752 HydrophobicContact CD2-CB 4.02Å; L707-I752 HydrophobicContact CD2-CG1 4.46Å; L707-I752 HydrophobicContact CD2-CG2 3.79Å; L707-I752 PolarHBondContact N-O 3.43Å; L707-V754 HydrophobicContact CB-CG2 3.72Å; L707-V754 HydrophobicContact CD1-CG2 3.66Å; L707-V754 HydrophobicContact CG-CG2 4.25Å; L707-V817 HydrophobicContact CD2-CG2 3.76Å; L707-V817 HydrophobicContact CG-CG2 4.43Å |
| 708 | D | 94.4 | Very high | 92.4 | Very high | 25 Ų | 25 | 52.5 Ų | 52.5 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 179.2 | 78.8 | -50 | 0 | 0 | 0 | 112.7 | S706 R712 A749 R750 | S706-D708 VanDerWaalsContact C-N 3.32Å; S706-D708 VanDerWaalsContact CB-OD1 3.3Å; S706-D708 WeakPolarHBondContact CB-OD1 3.15Å; S706-D708 PolarHBondContact O-N 3.36Å; S706-D708 PolarHBondContact OG-OD1 3.09Å; D708-R712 WeakPolarHBondContact O-CG 3.25Å; D708-R712 PolarHBondContact O-N 3.39Å; D708-R712 IonicContact OD2-CZ 2.69Å; D708-R712 IonicContact OD2-NH1 3.32Å; D708-R712 PolarHBondContact OD2-NH1 2.81Å; D708-R712 VanDerWaalsContact OD2-NH1 3.17Å; D708-R712 IonicContact OD2-NH2 2.8Å; D708-R712 PolarHBondContact OD2-NH2 2.8Å; D708-A749 HydrophobicContact CB-CB 3.84Å; D708-A749 PolarHBondContact N-O 3.08Å; D708-R750 WeakPolarHBondContact OD1-CA 3.29Å |
| 709 | A | 93.4 | Very high | 92.2 | Very high | 44 Ų | 44 | 56 Ų | 56 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.7 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S706 K713 | S706-A709 PolarHBondContact O-N 3.11Å; A709-K713 VanDerWaalsContact O-CB 3.29Å; A709-K713 WeakPolarHBondContact O-CB 3.41Å; A709-K713 PolarHBondContact O-N 3.08Å; A709-K713 VanDerWaalsContact O-N 3.12Å |
| 710 | F | 95.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 176.3 | 178.5 | -110.5 | 0 | 0 | 0 | 112.6 | N704 S706 L707 N714 F718 M726 V754 L758 | N704-F710 HydrophobicContact CB-CD2 3.52Å; N704-F710 HydrophobicContact CB-CE2 3.71Å; N704-F710 HydrophobicContact CB-CG 4.08Å; N704-F710 HydrophobicContact CB-CZ 4.42Å; N704-F710 VanDerWaalsContact OD1-CE2 3.28Å; N704-F710 WeakPolarHBondContact OD1-CE2 3.35Å; S706-F710 VanDerWaalsContact O-CB 3.28Å; S706-F710 WeakPolarHBondContact O-CB 3.4Å; S706-F710 PolarHBondContact O-N 2.86Å; L707-F710 HydrophobicContact CD1-CD1 4.43Å; L707-F710 PolarHBondContact O-N 3.11Å; F710-N714 WeakPolarHBondContact CE2-ND2 3.36Å; F710-N714 PolarHBondContact O-N 3.48Å; F710-N714 PolarHBondContact O-ND2 3.41Å; F710-F718 HydrophobicContact CD1-CE2 4.36Å; F710-F718 HydrophobicContact CD1-CZ 4.33Å; F710-F718 HydrophobicContact CE1-CE1 4.32Å; F710-F718 AromaticContact CE1-CE2 3.79Å; F710-F718 HydrophobicContact CE1-CE2 3.79Å; F710-F718 AromaticContact CE1-CZ 3.4Å; F710-F718 HydrophobicContact CE1-CZ 3.4Å; F710-F718 HydrophobicContact CE2-CZ 4.47Å; F710-F718 HydrophobicContact CZ-CE1 4.27Å; F710-F718 HydrophobicContact CZ-CE2 4.3Å; F710-F718 AromaticContact CZ-CZ 3.5Å; F710-F718 HydrophobicContact CZ-CZ 3.5Å; F710-F718 VanDerWaalsContact CZ-CZ 3.5Å; F710-M726 HydrophobicContact CE1-CE 4Å; F710-V754 HydrophobicContact CD1-CB 4.41Å; F710-V754 HydrophobicContact CD1-CG1 4.1Å; F710-V754 HydrophobicContact CD1-CG2 4.26Å; F710-V754 HydrophobicContact CE1-CG1 4.06Å; F710-L758 HydrophobicContact CE1-CD2 3.78Å; F710-L758 HydrophobicContact CZ-CD2 3.53Å |
| 711 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.3 | -52.6 | 175.8 | -75.1 | 164.7 | 0 | 0 | 0 | 111.6 | L707 K713 N714 D715 F718 L723 V817 Y820 | L707-L711 HydrophobicContact CD1-CD1 3.84Å; L707-L711 HydrophobicContact CD1-CD2 4.39Å; L707-L711 HydrophobicContact CD1-CG 3.83Å; L707-L711 HydrophobicContact CG-CD1 3.78Å; L707-L711 HydrophobicContact CG-CG 4.26Å; L707-L711 VanDerWaalsContact O-CB 3.31Å; L707-L711 WeakPolarHBondContact O-CB 3.39Å; L707-L711 WeakPolarHBondContact O-CD1 3.4Å; L707-L711 WeakPolarHBondContact O-CG 3.47Å; L707-L711 PolarHBondContact O-N 2.97Å; L711-K713 PolarHBondContact O-N 2.73Å; L711-N714 CarbonylContact O-C 3.45Å; L711-N714 WeakPolarHBondContact O-CA 3.18Å; L711-N714 PolarHBondContact O-N 2.65Å; L711-D715 PolarHBondContact O-N 3.06Å; L711-D715 VanDerWaalsContact O-N 3.1Å; L711-F718 HydrophobicContact CD2-CD2 4.23Å; L711-F718 HydrophobicContact CD2-CE2 4.32Å; L711-L723 HydrophobicContact CD2-CD2 3.9Å; L711-V817 HydrophobicContact CD1-CB 4.36Å; L711-V817 HydrophobicContact CD1-CG2 4.11Å; L711-Y820 CarbonylContact C-O 3.52Å; L711-Y820 HydrophobicContact CB-CD1 4.4Å; L711-Y820 WeakPolarHBondContact CB-O 3.47Å; L711-Y820 HydrophobicContact CD2-CD1 4.01Å; L711-Y820 HydrophobicContact CD2-CE1 4.42Å |
| 712 | R | 92.3 | Very high | 91.7 | Very high | 129 Ų | 129 | 58.9 Ų | 58.9 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.1 | -34.1 | 179.6 | -72.6 | -171.6 | -64.6 | -90.8 | -2.7 | 112.5 | D708 N714 Y820 G821 | D708-R712 WeakPolarHBondContact O-CG 3.25Å; D708-R712 PolarHBondContact O-N 3.39Å; D708-R712 IonicContact OD2-CZ 2.69Å; D708-R712 IonicContact OD2-NH1 3.32Å; D708-R712 PolarHBondContact OD2-NH1 2.81Å; D708-R712 VanDerWaalsContact OD2-NH1 3.17Å; D708-R712 IonicContact OD2-NH2 2.8Å; D708-R712 PolarHBondContact OD2-NH2 2.8Å; R712-N714 VanDerWaalsContact C-N 3.25Å; R712-N714 PolarHBondContact O-N 3.12Å; R712-Y820 WeakPolarHBondContact CA-O 3.34Å; R712-Y820 WeakPolarHBondContact CG-O 3.32Å; R712-Y820 PolarHBondContact N-O 2.97Å; R712-Y820 VanDerWaalsContact N-O 3.12Å; R712-G821 WeakPolarHBondContact CD-O 3.41Å; R712-G821 PolarHBondContact NH1-O 3.18Å |
| 713 | K | 91.9 | Very high | 91.7 | Very high | 166 Ų | 166 | 58.5 Ų | 58.5 | 72% | 0.722 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -16.9 | 175 | -174 | 173.6 | 178.2 | -177.5 | 0 | 113.9 | A709 L711 | A709-K713 VanDerWaalsContact O-CB 3.29Å; A709-K713 WeakPolarHBondContact O-CB 3.41Å; A709-K713 PolarHBondContact O-N 3.08Å; A709-K713 VanDerWaalsContact O-N 3.12Å; L711-K713 PolarHBondContact O-N 2.73Å |
| 714 | N | 89.6 | Confident | 91.7 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | 32.7 | -175.9 | -66.9 | -72.8 | 0 | 0 | 0 | 112.4 | F710 L711 R712 G716 R717 F718 Y820 | F710-N714 WeakPolarHBondContact CE2-ND2 3.36Å; F710-N714 PolarHBondContact O-N 3.48Å; F710-N714 PolarHBondContact O-ND2 3.41Å; L711-N714 CarbonylContact O-C 3.45Å; L711-N714 WeakPolarHBondContact O-CA 3.18Å; L711-N714 PolarHBondContact O-N 2.65Å; R712-N714 VanDerWaalsContact C-N 3.25Å; R712-N714 PolarHBondContact O-N 3.12Å; N714-G716 PolarHBondContact O-N 3.45Å; N714-R717 HydrophobicContact CB-CB 4.28Å; N714-R717 HydrophobicContact CB-CG 4.43Å; N714-R717 VanDerWaalsContact O-CB 3.27Å; N714-R717 WeakPolarHBondContact O-CB 3.46Å; N714-R717 WeakPolarHBondContact O-CG 3.1Å; N714-R717 PolarHBondContact O-N 3.36Å; N714-R717 PolarHBondContact OD1-NH1 3.17Å; N714-F718 HydrophobicContact CB-CE2 3.63Å; N714-F718 HydrophobicContact CB-CZ 3.7Å; N714-Y820 VanDerWaalsContact O-CE1 3.26Å; N714-Y820 WeakPolarHBondContact O-CE1 3.42Å |
| 715 | D | 86.5 | Confident | 91.8 | Very high | 92 Ų | 92 | 53.1 Ų | 53.1 | 49% | 0.492 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 133.7 | 179.5 | -177.7 | 30.8 | 0 | 0 | 0 | 112.4 | L711 R717 | L711-D715 PolarHBondContact O-N 3.06Å; L711-D715 VanDerWaalsContact O-N 3.1Å; D715-R717 WeakPolarHBondContact O-CG 3.39Å; D715-R717 PolarHBondContact O-N 3.36Å; D715-R717 VanDerWaalsContact O-N 3.09Å |
| 716 | G | 79.3 | Confident | 92 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 51% | 0.505 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | -1.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | N714 | N714-G716 PolarHBondContact O-N 3.45Š|
| 717 | R | 86 | Confident | 92.2 | Very high | 180 Ų | 180 | 50.4 Ų | 50.4 | 68% | 0.679 | 26% | 0.264 | S | S | * | . | trans | -86.4 | -15.2 | -171 | -59.3 | -174.9 | -178.3 | 179.7 | -7.4 | 115.5 | N714 D715 Y820 | N714-R717 HydrophobicContact CB-CB 4.28Å; N714-R717 HydrophobicContact CB-CG 4.43Å; N714-R717 VanDerWaalsContact O-CB 3.27Å; N714-R717 WeakPolarHBondContact O-CB 3.46Å; N714-R717 WeakPolarHBondContact O-CG 3.1Å; N714-R717 PolarHBondContact O-N 3.36Å; N714-R717 PolarHBondContact OD1-NH1 3.17Å; D715-R717 WeakPolarHBondContact O-CG 3.39Å; D715-R717 PolarHBondContact O-N 3.36Å; D715-R717 VanDerWaalsContact O-N 3.09Å; R717-Y820 PolarHBondContact N-OH 3.28Å | ||
| 718 | F | 89.9 | Confident | 92.2 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -99 | 137.6 | -179.3 | -58.2 | -56.5 | 0 | 0 | 0 | 111.4 | F710 L711 N714 Q722 L723 M726 L758 Y820 | F710-F718 HydrophobicContact CD1-CE2 4.36Å; F710-F718 HydrophobicContact CD1-CZ 4.33Å; F710-F718 HydrophobicContact CE1-CE1 4.32Å; F710-F718 AromaticContact CE1-CE2 3.79Å; F710-F718 HydrophobicContact CE1-CE2 3.79Å; F710-F718 AromaticContact CE1-CZ 3.4Å; F710-F718 HydrophobicContact CE1-CZ 3.4Å; F710-F718 HydrophobicContact CE2-CZ 4.47Å; F710-F718 HydrophobicContact CZ-CE1 4.27Å; F710-F718 HydrophobicContact CZ-CE2 4.3Å; F710-F718 AromaticContact CZ-CZ 3.5Å; F710-F718 HydrophobicContact CZ-CZ 3.5Å; F710-F718 VanDerWaalsContact CZ-CZ 3.5Å; L711-F718 HydrophobicContact CD2-CD2 4.23Å; L711-F718 HydrophobicContact CD2-CE2 4.32Å; N714-F718 HydrophobicContact CB-CE2 3.63Å; N714-F718 HydrophobicContact CB-CZ 3.7Å; F718-Q722 HydrophobicContact CB-CB 4.32Å; F718-L723 HydrophobicContact CB-CD2 3.81Å; F718-L723 HydrophobicContact CB-CG 4.02Å; F718-L723 HydrophobicContact CD2-CD2 4Å; F718-L723 HydrophobicContact CG-CD2 4.28Å; F718-M726 HydrophobicContact CD1-CE 4.42Å; F718-M726 HydrophobicContact CD2-CE 4.2Å; F718-M726 HydrophobicContact CE1-CE 4.4Å; F718-M726 HydrophobicContact CE2-CE 4.18Å; F718-M726 HydrophobicContact CG-CE 4.35Å; F718-M726 HydrophobicContact CZ-CE 4.31Å; F718-L758 HydrophobicContact CE1-CD1 4.32Å; F718-L758 HydrophobicContact CE1-CD2 4.25Å; F718-Y820 WeakPolarHBondContact CA-OH 3.32Å; F718-Y820 HydrophobicContact CB-CE1 4.43Å; F718-Y820 AromaticContact CD2-CE1 3.71Å; F718-Y820 HydrophobicContact CD2-CE1 3.71Å; F718-Y820 HydrophobicContact CE2-CE1 4.45Å; F718-Y820 HydrophobicContact CG-CE1 4.48Å; F718-Y820 PolarHBondContact N-OH 2.58Å; F718-Y820 PolarHBondContact O-OH 2.91Å |
| 719 | T | 90.8 | Very high | 92.3 | Very high | 74 Ų | 74 | 52.9 Ų | 52.9 | 45% | 0.454 | 27% | 0.273 | S | S | . | . | trans | -66.6 | 148.8 | 167.1 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | I721 Q722 L723 | T719-I721 PolarHBondContact O-N 3.14Å; T719-I721 VanDerWaalsContact O-N 3.09Å; T719-I721 VanDerWaalsContact OG1-CG2 3.24Å; T719-I721 WeakPolarHBondContact OG1-CG2 3.39Å; T719-Q722 WeakPolarHBondContact O-CB 3.26Å; T719-Q722 PolarHBondContact O-N 2.69Å; T719-Q722 WeakPolarHBondContact OG1-CG 3.23Å; T719-Q722 PolarHBondContact OG1-OE1 3.19Å; T719-L723 PolarHBondContact O-N 3.31Å | ||
| 720 | V | 89.7 | Confident | 92.5 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 29% | 0.285 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -52.3 | -35.9 | 177.8 | 177.1 | 0 | 0 | 0 | 0 | 112 | Q722 L723 V724 P850 L888 | V720-Q722 VanDerWaalsContact C-N 3.35Å; V720-Q722 PolarHBondContact O-N 3.41Å; V720-L723 PolarHBondContact O-N 3.05Å; V720-V724 HydrophobicContact CG1-CG2 4.35Å; V720-V724 VanDerWaalsContact O-CG2 3.29Å; V720-V724 WeakPolarHBondContact O-CG2 3.44Å; V720-V724 PolarHBondContact O-N 2.82Å; V720-P850 HydrophobicContact CG1-CG 3.55Å; V720-L888 HydrophobicContact CG1-CB 4.22Å; V720-L888 HydrophobicContact CG1-CD1 4.36Å; V720-L888 HydrophobicContact CG1-CD2 4.23Å |
| 721 | I | 90.6 | Very high | 92.6 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 33% | 0.333 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.3 | -30.8 | 177.7 | -172.7 | 62.9 | 0 | 0 | 0 | 113.2 | T719 G725 I882 L888 | T719-I721 PolarHBondContact O-N 3.14Å; T719-I721 VanDerWaalsContact O-N 3.09Å; T719-I721 VanDerWaalsContact OG1-CG2 3.24Å; T719-I721 WeakPolarHBondContact OG1-CG2 3.39Å; I721-G725 PolarHBondContact O-N 3.35Å; I721-I882 HydrophobicContact CD1-CB 4.2Å; I721-I882 HydrophobicContact CD1-CG1 3.97Å; I721-I882 HydrophobicContact CD1-CG2 4.26Å; I721-L888 HydrophobicContact CD1-CD1 3.97Å |
| 722 | Q | 93.4 | Very high | 92.8 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 36% | 0.355 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.9 | -42.4 | 172.1 | -71.1 | 163.7 | -69.1 | 0 | 0 | 111.3 | F718 T719 V720 V724 G725 M726 | F718-Q722 HydrophobicContact CB-CB 4.32Å; T719-Q722 WeakPolarHBondContact O-CB 3.26Å; T719-Q722 PolarHBondContact O-N 2.69Å; T719-Q722 WeakPolarHBondContact OG1-CG 3.23Å; T719-Q722 PolarHBondContact OG1-OE1 3.19Å; V720-Q722 VanDerWaalsContact C-N 3.35Å; V720-Q722 PolarHBondContact O-N 3.41Å; Q722-V724 PolarHBondContact O-N 3.28Å; Q722-G725 WeakPolarHBondContact O-CA 3.36Å; Q722-G725 PolarHBondContact O-N 3.13Å; Q722-G725 VanDerWaalsContact O-N 3.09Å; Q722-M726 WeakPolarHBondContact O-CG 3.07Å; Q722-M726 PolarHBondContact O-N 3.45Å |
| 723 | L | 94.7 | Very high | 93 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 174.8 | -62 | 177.9 | 0 | 0 | 0 | 111.4 | L711 F718 T719 V720 G725 M726 L727 V817 M818 Y820 | L711-L723 HydrophobicContact CD2-CD2 3.9Å; F718-L723 HydrophobicContact CB-CD2 3.81Å; F718-L723 HydrophobicContact CB-CG 4.02Å; F718-L723 HydrophobicContact CD2-CD2 4Å; F718-L723 HydrophobicContact CG-CD2 4.28Å; T719-L723 PolarHBondContact O-N 3.31Å; V720-L723 PolarHBondContact O-N 3.05Å; L723-G725 VanDerWaalsContact C-N 3.29Å; L723-G725 PolarHBondContact O-N 2.83Å; L723-M726 HydrophobicContact CD2-SD 4.2Å; L723-M726 WeakPolarHBondContact O-CB 3.24Å; L723-M726 PolarHBondContact O-N 3.23Å; L723-L727 WeakPolarHBondContact O-CG 3.38Å; L723-L727 PolarHBondContact O-N 3.26Å; L723-V817 HydrophobicContact CB-CG1 4.04Å; L723-V817 HydrophobicContact CD2-CG1 3.92Å; L723-M818 HydrophobicContact CB-SD 4.02Å; L723-M818 HydrophobicContact CD1-CE 4.27Å; L723-M818 HydrophobicContact CD1-SD 3.99Å; L723-Y820 HydrophobicContact CD1-CE2 4.05Å |
| 724 | V | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.7 | -35.9 | 172.4 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | V720 Q722 L727 R728 L853 L878 I882 L888 | V720-V724 HydrophobicContact CG1-CG2 4.35Å; V720-V724 VanDerWaalsContact O-CG2 3.29Å; V720-V724 WeakPolarHBondContact O-CG2 3.44Å; V720-V724 PolarHBondContact O-N 2.82Å; Q722-V724 PolarHBondContact O-N 3.28Å; V724-L727 PolarHBondContact O-N 2.81Å; V724-R728 VanDerWaalsContact O-CB 3.24Å; V724-R728 WeakPolarHBondContact O-CB 3.33Å; V724-R728 PolarHBondContact O-N 3.44Å; V724-L853 HydrophobicContact CG2-CD1 3.53Å; V724-L853 HydrophobicContact CG2-CD2 4.1Å; V724-L853 HydrophobicContact CG2-CG 4.37Å; V724-L878 HydrophobicContact CG1-CD2 4.19Å; V724-I882 HydrophobicContact CG1-CD1 4.08Å; V724-I882 HydrophobicContact CG1-CG1 3.61Å; V724-L888 HydrophobicContact CG2-CD1 4.21Å; V724-L888 HydrophobicContact CG2-CD2 3.99Å |
| 725 | G | 95.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 39.1 Ų | 39.1 | 36% | 0.361 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I721 Q722 L723 R728 G729 | I721-G725 PolarHBondContact O-N 3.35Å; Q722-G725 WeakPolarHBondContact O-CA 3.36Å; Q722-G725 PolarHBondContact O-N 3.13Å; Q722-G725 VanDerWaalsContact O-N 3.09Å; L723-G725 VanDerWaalsContact C-N 3.29Å; L723-G725 PolarHBondContact O-N 2.83Å; G725-R728 PolarHBondContact O-N 3.27Å; G725-G729 PolarHBondContact O-N 2.73Å |
| 726 | M | 97.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.3 | -49.5 | 174 | -67.6 | 173.6 | -176.3 | 0 | 0 | 111.1 | L707 F710 F718 Q722 L723 R728 G729 I730 L758 C760 | L707-M726 HydrophobicContact CD1-SD 4Å; F710-M726 HydrophobicContact CE1-CE 4Å; F718-M726 HydrophobicContact CD1-CE 4.42Å; F718-M726 HydrophobicContact CD2-CE 4.2Å; F718-M726 HydrophobicContact CE1-CE 4.4Å; F718-M726 HydrophobicContact CE2-CE 4.18Å; F718-M726 HydrophobicContact CG-CE 4.35Å; F718-M726 HydrophobicContact CZ-CE 4.31Å; Q722-M726 WeakPolarHBondContact O-CG 3.07Å; Q722-M726 PolarHBondContact O-N 3.45Å; L723-M726 HydrophobicContact CD2-SD 4.2Å; L723-M726 WeakPolarHBondContact O-CB 3.24Å; L723-M726 PolarHBondContact O-N 3.23Å; M726-R728 PolarHBondContact O-N 3.02Å; M726-G729 PolarHBondContact O-N 3.21Å; M726-I730 WeakPolarHBondContact O-CG1 3.41Å; M726-I730 PolarHBondContact O-N 2.65Å; M726-I730 VanDerWaalsContact O-N 3.07Å; M726-L758 HydrophobicContact CE-CB 4.11Å; M726-L758 HydrophobicContact CE-CD1 4.23Å; M726-L758 HydrophobicContact CE-CD2 4.12Å; M726-L758 HydrophobicContact CE-CG 4.39Å; M726-C760 VanDerWaalsContact CB-SG 3.59Å |
| 727 | L | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 177.9 | -70.4 | 176.5 | 0 | 0 | 0 | 112.7 | L723 V724 G729 I730 G731 Y810 M814 V817 L878 | L723-L727 WeakPolarHBondContact O-CG 3.38Å; L723-L727 PolarHBondContact O-N 3.26Å; V724-L727 PolarHBondContact O-N 2.81Å; L727-G729 VanDerWaalsContact C-N 3.29Å; L727-G729 PolarHBondContact O-N 2.95Å; L727-I730 HydrophobicContact CD2-CD1 4.46Å; L727-I730 PolarHBondContact O-N 2.76Å; L727-G731 PolarHBondContact O-N 3.14Å; L727-Y810 PolarHBondContact O-OH 2.78Å; L727-M814 HydrophobicContact CD1-CB 4.39Å; L727-M814 HydrophobicContact CD1-CG 4.12Å; L727-M814 HydrophobicContact CD2-CB 4.36Å; L727-M814 HydrophobicContact CD2-CG 3.96Å; L727-V817 HydrophobicContact CD1-CB 4.47Å; L727-V817 HydrophobicContact CD1-CG1 4.35Å; L727-V817 HydrophobicContact CD2-CB 3.81Å; L727-V817 HydrophobicContact CD2-CG1 4.16Å; L727-V817 HydrophobicContact CD2-CG2 3.69Å; L727-V817 HydrophobicContact CG-CB 4.18Å; L727-V817 HydrophobicContact CG-CG1 4Å; L727-V817 HydrophobicContact CG-CG2 4.41Å; L727-L878 HydrophobicContact CB-CD1 4.41Å |
| 728 | R | 97.6 | Very high | 94.8 | Very high | 71 Ų | 71 | 27.6 Ų | 27.6 | 27% | 0.268 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.2 | -35.7 | 176.4 | -173.3 | -89.9 | -177.9 | -125.2 | -12.4 | 111.8 | V724 G725 M726 S732 L878 D879 I882 | V724-R728 VanDerWaalsContact O-CB 3.24Å; V724-R728 WeakPolarHBondContact O-CB 3.33Å; V724-R728 PolarHBondContact O-N 3.44Å; G725-R728 PolarHBondContact O-N 3.27Å; M726-R728 PolarHBondContact O-N 3.02Å; R728-S732 PolarHBondContact NH1-OG 3.45Å; R728-S732 WeakPolarHBondContact O-CB 3.3Å; R728-S732 PolarHBondContact O-N 3.21Å; R728-L878 HydrophobicContact CB-CB 4.1Å; R728-L878 HydrophobicContact CB-CD1 4.36Å; R728-L878 HydrophobicContact CG-CB 4.18Å; R728-D879 WeakPolarHBondContact CG-OD1 3.34Å; R728-D879 IonicContact CZ-OD1 2.81Å; R728-D879 IonicContact CZ-OD2 3.13Å; R728-D879 IonicContact NE-OD1 3.38Å; R728-D879 PolarHBondContact NE-OD1 3.27Å; R728-D879 IonicContact NE-OD2 2.87Å; R728-D879 IonicContact NH2-OD1 3.18Å; R728-D879 PolarHBondContact NH2-OD1 3Å; R728-D879 IonicContact NH2-OD2 3.49Å; R728-D879 PolarHBondContact NH2-OD2 2.86Å; R728-I882 HydrophobicContact CB-CD1 3.86Å; R728-I882 HydrophobicContact CG-CD1 3.83Å |
| 729 | G | 96.7 | Very high | 94.7 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 6% | 0.062 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.7 | -55.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N681 G725 M726 L727 G731 S732 G733 | N681-G729 WeakPolarHBondContact CB-O 3.29Å; N681-G729 WeakPolarHBondContact ND2-CA 3.32Å; N681-G729 PolarHBondContact OD1-O 2.59Å; G725-G729 PolarHBondContact O-N 2.73Å; M726-G729 PolarHBondContact O-N 3.21Å; L727-G729 VanDerWaalsContact C-N 3.29Å; L727-G729 PolarHBondContact O-N 2.95Å; G729-G731 VanDerWaalsContact C-N 3.32Å; G729-G731 PolarHBondContact O-N 3.32Å; G729-S732 WeakPolarHBondContact O-CB 3.24Å; G729-S732 PolarHBondContact O-N 2.95Å; G729-G733 PolarHBondContact O-N 3.36Å |
| 730 | I | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 179.1 | -59.6 | 159.8 | 0 | 0 | 0 | 110.8 | L707 M726 L727 S732 G733 M734 L747 I752 C760 V762 Y810 V813 | L707-I730 HydrophobicContact CD2-CD1 3.66Å; M726-I730 WeakPolarHBondContact O-CG1 3.41Å; M726-I730 PolarHBondContact O-N 2.65Å; M726-I730 VanDerWaalsContact O-N 3.07Å; L727-I730 HydrophobicContact CD2-CD1 4.46Å; L727-I730 PolarHBondContact O-N 2.76Å; I730-S732 VanDerWaalsContact C-N 3.29Å; I730-S732 PolarHBondContact O-N 3.19Å; I730-G733 PolarHBondContact O-N 3.27Å; I730-G733 VanDerWaalsContact O-N 3.14Å; I730-M734 HydrophobicContact CG2-CG 4.47Å; I730-M734 PolarHBondContact O-N 2.83Å; I730-L747 HydrophobicContact CG2-CD1 4.39Å; I730-I752 HydrophobicContact CD1-CG1 4.12Å; I730-I752 HydrophobicContact CD1-CG2 4Å; I730-I752 HydrophobicContact CG1-CD1 4.23Å; I730-I752 HydrophobicContact CG1-CG1 4.23Å; I730-I752 HydrophobicContact CG1-CG2 3.87Å; I730-I752 HydrophobicContact CG2-CD1 3.87Å; I730-I752 HydrophobicContact CG2-CG1 4.43Å; I730-C760 HydrophobicContact CD1-CB 4.2Å; I730-C760 HydrophobicContact CG1-CB 3.67Å; I730-V762 HydrophobicContact CG2-CG2 4.36Å; I730-Y810 HydrophobicContact CB-CE2 4.03Å; I730-Y810 HydrophobicContact CG2-CD2 3.93Å; I730-Y810 HydrophobicContact CG2-CE2 3.75Å; I730-V813 HydrophobicContact CD1-CG1 4.02Å |
| 731 | G | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L727 G729 K735 V875 | L727-G731 PolarHBondContact O-N 3.14Å; G729-G731 VanDerWaalsContact C-N 3.32Å; G729-G731 PolarHBondContact O-N 3.32Å; G731-K735 VanDerWaalsContact O-CB 3.3Å; G731-K735 WeakPolarHBondContact O-CB 3.42Å; G731-K735 PolarHBondContact O-N 3.11Å; G731-V875 WeakPolarHBondContact O-CG2 3.48Å |
| 732 | S | 98.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 27 Ų | 27 | 12% | 0.119 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.6 | -39.4 | 173.7 | -159.1 | 0 | 0 | 0 | 0 | 111.7 | H679 R728 G729 I730 Y736 | H679-S732 VanDerWaalsContact CE1-C 3.43Å; H679-S732 PolarHBondContact CE1-O 3.24Å; H679-S732 PolarHBondContact NE2-OG 3.13Å; R728-S732 PolarHBondContact NH1-OG 3.45Å; R728-S732 WeakPolarHBondContact O-CB 3.3Å; R728-S732 PolarHBondContact O-N 3.21Å; G729-S732 WeakPolarHBondContact O-CB 3.24Å; G729-S732 PolarHBondContact O-N 2.95Å; I730-S732 VanDerWaalsContact C-N 3.29Å; I730-S732 PolarHBondContact O-N 3.19Å; S732-Y736 PolarHBondContact O-N 3.29Å; S732-Y736 VanDerWaalsContact O-N 3.11Å |
| 733 | G | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63 | -49.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G729 I730 K735 Y736 L737 | G729-G733 PolarHBondContact O-N 3.36Å; I730-G733 PolarHBondContact O-N 3.27Å; I730-G733 VanDerWaalsContact O-N 3.14Å; G733-K735 VanDerWaalsContact C-N 3.33Å; G733-K735 PolarHBondContact O-N 3.14Å; G733-Y736 WeakPolarHBondContact O-CB 3.15Å; G733-Y736 PolarHBondContact O-N 2.72Å; G733-Y736 VanDerWaalsContact O-N 3.11Å; G733-L737 PolarHBondContact O-N 2.71Å |
| 734 | M | 97.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.8 | -31.8 | 178.5 | -67.4 | -52.8 | -52.6 | 0 | 0 | 113.6 | I730 L737 S738 H744 L747 V762 D806 F871 | I730-M734 HydrophobicContact CG2-CG 4.47Å; I730-M734 PolarHBondContact O-N 2.83Å; M734-L737 HydrophobicContact CE-CD1 4.31Å; M734-L737 HydrophobicContact SD-CD1 3.92Å; M734-S738 WeakPolarHBondContact O-CB 3.47Å; M734-S738 PolarHBondContact O-N 2.89Å; M734-H744 HydrophobicContact CE-CB 3.93Å; M734-H744 HydrophobicContact SD-CB 4.48Å; M734-L747 HydrophobicContact CE-CD2 4.02Å; M734-L747 HydrophobicContact CG-CD1 4.24Å; M734-L747 HydrophobicContact CG-CD2 3.72Å; M734-L747 HydrophobicContact SD-CD1 3.87Å; M734-L747 HydrophobicContact SD-CD2 3.83Å; M734-L747 HydrophobicContact SD-CG 4.4Å; M734-V762 HydrophobicContact CG-CG2 4.37Å; M734-V762 HydrophobicContact SD-CG1 4.01Å; M734-V762 HydrophobicContact SD-CG2 4.15Å; M734-D806 HydrophobicContact CE-CB 3.89Å; M734-D806 WeakPolarHBondContact CE-OD2 3.16Å; M734-F871 HydrophobicContact CB-CD1 3.6Å; M734-F871 HydrophobicContact CB-CD2 4.03Å; M734-F871 HydrophobicContact CB-CE1 3.41Å; M734-F871 VanDerWaalsContact CB-CE1 3.41Å; M734-F871 HydrophobicContact CB-CE2 3.85Å; M734-F871 HydrophobicContact CB-CG 3.91Å; M734-F871 HydrophobicContact CB-CZ 3.54Å; M734-F871 HydrophobicContact CE-CE2 4.12Å; M734-F871 HydrophobicContact CE-CZ 4.05Å; M734-F871 HydrophobicContact CG-CE1 4.04Å; M734-F871 HydrophobicContact CG-CZ 4.07Å |
| 735 | K | 96.6 | Very high | 92.8 | Very high | 74 Ų | 74 | 26.9 Ų | 26.9 | 32% | 0.322 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -58.4 | -50.9 | 167.8 | -176.2 | -166.2 | 173.5 | -65.4 | 0 | 110.5 | G731 G733 L737 S738 D739 F871 | G731-K735 VanDerWaalsContact O-CB 3.3Å; G731-K735 WeakPolarHBondContact O-CB 3.42Å; G731-K735 PolarHBondContact O-N 3.11Å; G733-K735 VanDerWaalsContact C-N 3.33Å; G733-K735 PolarHBondContact O-N 3.14Å; K735-L737 PolarHBondContact O-N 3.23Å; K735-S738 PolarHBondContact O-N 3.37Å; K735-D739 IonicContact NZ-OD1 3.19Å; K735-D739 IonicContact NZ-OD2 3.95Å; K735-D739 PolarHBondContact NZ-OD2 3.02Å; K735-D739 PolarHBondContact O-N 2.95Å; K735-F871 HydrophobicContact CB-CB 3.86Å; K735-F871 HydrophobicContact CG-CB 4.45Å |
| 736 | Y | 95.7 | Very high | 92.4 | Very high | 46 Ų | 46 | 26.3 Ų | 26.3 | 18% | 0.18 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 179.2 | 170.9 | -93.5 | 0 | 0 | 0 | 112 | F677 D678 H679 I682 S732 G733 S738 D739 M740 | F677-Y736 HydrophobicContact CB-CE1 3.96Å; F677-Y736 AromaticContact CD1-CE1 3.93Å; F677-Y736 HydrophobicContact CD1-CE1 3.93Å; F677-Y736 HydrophobicContact CG-CE1 4.2Å; D678-Y736 PolarHBondContact N-OH 3.17Å; H679-Y736 HydrophobicContact CB-CD1 3.71Å; H679-Y736 HydrophobicContact CB-CD2 3.89Å; H679-Y736 HydrophobicContact CB-CE1 3.95Å; H679-Y736 HydrophobicContact CB-CE2 4.12Å; H679-Y736 HydrophobicContact CB-CG 3.67Å; H679-Y736 AromaticContact CD2-CG 3.98Å; H679-Y736 AromaticContact CG-CG 3.78Å; I682-Y736 HydrophobicContact CG1-CD1 3.97Å; I682-Y736 HydrophobicContact CG1-CE1 4.44Å; S732-Y736 PolarHBondContact O-N 3.29Å; S732-Y736 VanDerWaalsContact O-N 3.11Å; G733-Y736 WeakPolarHBondContact O-CB 3.15Å; G733-Y736 PolarHBondContact O-N 2.72Å; G733-Y736 VanDerWaalsContact O-N 3.11Å; Y736-S738 VanDerWaalsContact C-N 3.35Å; Y736-S738 PolarHBondContact O-N 3.2Å; Y736-D739 PolarHBondContact O-N 2.88Å; Y736-M740 HydrophobicContact CD1-CG 4.3Å; Y736-M740 HydrophobicContact CD2-CG 4.49Å; Y736-M740 HydrophobicContact CE1-CG 3.91Å; Y736-M740 HydrophobicContact CE2-CG 4.14Å; Y736-M740 HydrophobicContact CE2-SD 4.22Å; Y736-M740 VanDerWaalsContact O-CG 3.28Å; Y736-M740 WeakPolarHBondContact O-CG 3.22Å; Y736-M740 PolarHBondContact O-N 2.89Å |
| 737 | L | 91.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 175.9 | -66.9 | 176.7 | 0 | 0 | 0 | 112 | F677 I682 G733 M734 K735 D739 M740 S741 Y742 V762 F765 | F677-L737 HydrophobicContact CD1-CD2 4.05Å; F677-L737 HydrophobicContact CD2-CD2 3.74Å; F677-L737 HydrophobicContact CE1-CD2 3.88Å; F677-L737 HydrophobicContact CE2-CD2 3.53Å; F677-L737 HydrophobicContact CG-CD2 4Å; F677-L737 HydrophobicContact CZ-CD2 3.63Å; I682-L737 HydrophobicContact CD1-CD1 3.86Å; I682-L737 HydrophobicContact CD1-CD2 4.14Å; I682-L737 HydrophobicContact CD1-CG 3.79Å; G733-L737 PolarHBondContact O-N 2.71Å; M734-L737 HydrophobicContact CE-CD1 4.31Å; M734-L737 HydrophobicContact SD-CD1 3.92Å; K735-L737 PolarHBondContact O-N 3.23Å; L737-D739 VanDerWaalsContact C-N 3.34Å; L737-D739 PolarHBondContact O-N 3.25Å; L737-M740 CarbonylContact O-C 3.58Å; L737-M740 WeakPolarHBondContact O-CB 3.39Å; L737-M740 PolarHBondContact O-N 3.07Å; L737-S741 PolarHBondContact O-N 3.25Å; L737-Y742 HydrophobicContact CB-CD1 4.3Å; L737-Y742 HydrophobicContact CD1-CD1 4.23Å; L737-Y742 HydrophobicContact CD2-CD1 3.99Å; L737-Y742 HydrophobicContact CD2-CG 4.47Å; L737-Y742 HydrophobicContact CG-CD1 4.4Å; L737-Y742 PolarHBondContact O-N 3.43Å; L737-V762 HydrophobicContact CD1-CG1 4.24Å; L737-F765 HydrophobicContact CD1-CE1 4.11Å; L737-F765 HydrophobicContact CD2-CE1 4.4Å |
| 738 | S | 88.9 | Confident | 92.2 | Very high | 33 Ų | 33 | 26.1 Ų | 26.1 | 23% | 0.231 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.8 | -30 | 177 | -175.3 | 0 | 0 | 0 | 0 | 113.5 | M734 K735 Y736 S741 S803 | M734-S738 WeakPolarHBondContact O-CB 3.47Å; M734-S738 PolarHBondContact O-N 2.89Å; K735-S738 PolarHBondContact O-N 3.37Å; Y736-S738 VanDerWaalsContact C-N 3.35Å; Y736-S738 PolarHBondContact O-N 3.2Å; S738-S741 PolarHBondContact O-N 3.47Å; S738-S803 VanDerWaalsContact OG-CB 3.26Å; S738-S803 WeakPolarHBondContact OG-CB 3.13Å; S738-S803 PolarHBondContact OG-OG 3.12Å |
| 739 | D | 87.8 | Confident | 92.1 | Very high | 89 Ų | 89 | 22.8 Ų | 22.8 | 48% | 0.476 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -73.2 | -34.8 | 173.9 | -66.1 | -26.5 | 0 | 0 | 0 | 110.9 | K735 Y736 L737 S741 | K735-D739 IonicContact NZ-OD1 3.19Å; K735-D739 IonicContact NZ-OD2 3.95Å; K735-D739 PolarHBondContact NZ-OD2 3.02Å; K735-D739 PolarHBondContact O-N 2.95Å; Y736-D739 PolarHBondContact O-N 2.88Å; L737-D739 VanDerWaalsContact C-N 3.34Å; L737-D739 PolarHBondContact O-N 3.25Å; D739-S741 PolarHBondContact O-N 2.99Å |
| 740 | M | 84.2 | Confident | 92 | Very high | 24 Ų | 24 | 26 Ų | 26 | 12% | 0.118 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -4.6 | 168.9 | -64.2 | -69.3 | -66.4 | 0 | 0 | 113.1 | R594 Y596 F677 Y736 L737 Y742 | R594-M740 WeakPolarHBondContact O-CE 3.49Å; Y596-M740 WeakPolarHBondContact CB-O 3.47Å; Y596-M740 PolarHBondContact N-O 2.98Å; F677-M740 HydrophobicContact CD1-CE 4.37Å; F677-M740 HydrophobicContact CE1-CB 4.43Å; F677-M740 HydrophobicContact CE1-CE 4.46Å; Y736-M740 HydrophobicContact CD1-CG 4.3Å; Y736-M740 HydrophobicContact CD2-CG 4.49Å; Y736-M740 HydrophobicContact CE1-CG 3.91Å; Y736-M740 HydrophobicContact CE2-CG 4.14Å; Y736-M740 HydrophobicContact CE2-SD 4.22Å; Y736-M740 VanDerWaalsContact O-CG 3.28Å; Y736-M740 WeakPolarHBondContact O-CG 3.22Å; Y736-M740 PolarHBondContact O-N 2.89Å; L737-M740 CarbonylContact O-C 3.58Å; L737-M740 WeakPolarHBondContact O-CB 3.39Å; L737-M740 PolarHBondContact O-N 3.07Å; M740-Y742 VanDerWaalsContact C-N 3.28Å; M740-Y742 PolarHBondContact O-N 3.4Å |
| 741 | S | 81.8 | Confident | 91.8 | Very high | 81 Ų | 81 | 26.7 Ų | 26.7 | 57% | 0.566 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 25 | -172.2 | -54.9 | 0 | 0 | 0 | 0 | 115.1 | L737 S738 D739 | L737-S741 PolarHBondContact O-N 3.25Å; S738-S741 PolarHBondContact O-N 3.47Å; D739-S741 PolarHBondContact O-N 2.99Å |
| 742 | Y | 85.6 | Confident | 91.8 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | trans | -89 | 149.9 | 172 | -173 | -96.8 | 0 | 0 | 0 | 111.7 | Y596 I673 F677 L737 M740 H744 F765 S768 | Y596-Y742 AromaticContact CD1-CD2 3.88Å; Y596-Y742 HydrophobicContact CD1-CD2 3.88Å; Y596-Y742 AromaticContact CD2-CD2 3.71Å; Y596-Y742 HydrophobicContact CD2-CD2 3.71Å; Y596-Y742 HydrophobicContact CD2-CE2 4.34Å; Y596-Y742 AromaticContact CE1-CD2 3.77Å; Y596-Y742 HydrophobicContact CE1-CD2 3.77Å; Y596-Y742 HydrophobicContact CE1-CE2 4.13Å; Y596-Y742 AromaticContact CE2-CD2 3.59Å; Y596-Y742 HydrophobicContact CE2-CD2 3.59Å; Y596-Y742 AromaticContact CE2-CE2 3.76Å; Y596-Y742 HydrophobicContact CE2-CE2 3.76Å; Y596-Y742 AromaticContact CG-CD2 3.84Å; Y596-Y742 HydrophobicContact CG-CD2 3.84Å; Y596-Y742 AromaticContact CZ-CD2 3.61Å; Y596-Y742 AromaticContact CZ-CE2 3.63Å; I673-Y742 HydrophobicContact CG2-CE2 3.9Å; F677-Y742 HydrophobicContact CE2-CD1 4.36Å; F677-Y742 HydrophobicContact CE2-CD2 4.49Å; F677-Y742 HydrophobicContact CE2-CE1 4.49Å; F677-Y742 HydrophobicContact CE2-CG 4.35Å; F677-Y742 HydrophobicContact CZ-CD1 4.07Å; F677-Y742 AromaticContact CZ-CD2 3.78Å; F677-Y742 HydrophobicContact CZ-CD2 3.78Å; F677-Y742 HydrophobicContact CZ-CE2 4.28Å; F677-Y742 AromaticContact CZ-CG 3.65Å; F677-Y742 HydrophobicContact CZ-CG 3.65Å; L737-Y742 HydrophobicContact CB-CD1 4.3Å; L737-Y742 HydrophobicContact CD1-CD1 4.23Å; L737-Y742 HydrophobicContact CD2-CD1 3.99Å; L737-Y742 HydrophobicContact CD2-CG 4.47Å; L737-Y742 HydrophobicContact CG-CD1 4.4Å; L737-Y742 PolarHBondContact O-N 3.43Å; M740-Y742 VanDerWaalsContact C-N 3.28Å; M740-Y742 PolarHBondContact O-N 3.4Å; Y742-H744 HydrophobicContact CE1-CB 4.42Å; Y742-F765 AromaticContact CE1-CD1 3.66Å; Y742-F765 HydrophobicContact CE1-CD1 3.66Å; Y742-F765 AromaticContact CE1-CE1 3.99Å; Y742-F765 HydrophobicContact CE1-CE1 3.99Å; Y742-F765 AromaticContact CZ-CD1 3.83Å; Y742-F765 WeakPolarHBondContact OH-CD1 3.44Å; Y742-S768 WeakPolarHBondContact OH-CB 3.25Å | ||
| 743 | V | 85.8 | Confident | 91.7 | Very high | 28 Ų | 28 | 28 Ų | 28 | 17% | 0.17 | 14% | 0.142 | C | C | . | . | trans | -130.3 | 123.7 | 177.6 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | R745 F801 D806 | V743-R745 HydrophobicContact CG1-CG 4.01Å; V743-F801 HydrophobicContact CG1-CB 4.19Å; V743-D806 WeakPolarHBondContact CA-OD2 3.25Å; V743-D806 WeakPolarHBondContact CG1-OD2 3.41Å | ||
| 744 | H | 88.7 | Confident | 91.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | trans | -82.5 | -35.4 | -168.3 | -173.3 | -14.3 | 0 | 0 | 0 | 113.7 | M734 Y742 D746 V762 S763 D764 D806 | M734-H744 HydrophobicContact CE-CB 3.93Å; M734-H744 HydrophobicContact SD-CB 4.48Å; Y742-H744 HydrophobicContact CE1-CB 4.42Å; H744-D746 PolarHBondContact CE1-O 3.33Å; H744-D746 PolarHBondContact O-N 3.33Å; H744-V762 WeakPolarHBondContact CD2-CG1 3.15Å; H744-V762 WeakPolarHBondContact NE2-CG1 3.38Å; H744-S763 PolarHBondContact CE1-O 2.76Å; H744-S763 VanDerWaalsContact CE1-O 3.32Å; H744-S763 PolarHBondContact NE2-O 3.47Å; H744-D764 PolarHBondContact CE1-O 2.77Å; H744-D806 PolarHBondContact N-OD2 3.41Å | ||
| 745 | R | 87.7 | Confident | 91.6 | Very high | 49 Ų | 49 | 29.2 Ų | 29.2 | 19% | 0.185 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 66 | -21 | 173 | -42.4 | -175.9 | -170.6 | -174 | 6.9 | 117.5 | V743 R769 F801 D806 | V743-R745 HydrophobicContact CG1-CG 4.01Å; R745-R769 PolarHBondContact NH1-O 3.12Å; R745-F801 HydrophobicContact CB-CD1 3.68Å; R745-F801 HydrophobicContact CB-CE1 3.94Å; R745-F801 HydrophobicContact CB-CG 4.29Å; R745-F801 HydrophobicContact CG-CB 3.98Å; R745-F801 HydrophobicContact CG-CD1 3.73Å; R745-F801 HydrophobicContact CG-CE1 4.42Å; R745-F801 HydrophobicContact CG-CG 3.87Å; R745-D806 PolarHBondContact N-OD1 3.06Å |
| 746 | D | 88.3 | Confident | 91.4 | Very high | 23 Ų | 23 | 28.7 Ų | 28.7 | 12% | 0.123 | 16% | 0.155 | C | C | . | . | trans | -130.4 | 54.9 | 172.4 | -168.7 | 28.9 | 0 | 0 | 0 | 111.5 | H744 A748 R750 N751 M767 P787 | H744-D746 PolarHBondContact CE1-O 3.33Å; H744-D746 PolarHBondContact O-N 3.33Å; D746-A748 PolarHBondContact O-N 3.44Å; D746-R750 IonicContact OD1-CZ 3.61Å; D746-R750 IonicContact OD1-NE 4Å; D746-R750 IonicContact OD1-NH2 2.7Å; D746-R750 PolarHBondContact OD1-NH2 2.93Å; D746-R750 IonicContact OD2-NE 3.69Å; D746-R750 IonicContact OD2-NH2 2.97Å; D746-N751 VanDerWaalsContact CG-ND2 3.28Å; D746-N751 PolarHBondContact O-ND2 3.44Å; D746-N751 PolarHBondContact OD2-ND2 3.13Å; D746-M767 HydrophobicContact CB-CG 4.45Å; D746-P787 HydrophobicContact CB-CG 4.45Å; D746-P787 WeakPolarHBondContact OD1-CB 3.45Å; D746-P787 VanDerWaalsContact OD1-CG 3.28Å; D746-P787 WeakPolarHBondContact OD1-CG 3.44Å | ||
| 747 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -81 | 108.5 | 175 | 178.2 | 64.4 | 0 | 0 | 0 | 110.3 | I730 M734 I752 S809 Y810 V813 | I730-L747 HydrophobicContact CG2-CD1 4.39Å; M734-L747 HydrophobicContact CE-CD2 4.02Å; M734-L747 HydrophobicContact CG-CD1 4.24Å; M734-L747 HydrophobicContact CG-CD2 3.72Å; M734-L747 HydrophobicContact SD-CD1 3.87Å; M734-L747 HydrophobicContact SD-CD2 3.83Å; M734-L747 HydrophobicContact SD-CG 4.4Å; L747-I752 HydrophobicContact CD1-CD1 3.86Å; L747-S809 WeakPolarHBondContact O-CB 3.36Å; L747-Y810 HydrophobicContact CD2-CD2 4.31Å; L747-V813 HydrophobicContact CG-CG2 4.2Å | ||
| 748 | A | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -148.4 | 157.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | D746 R750 N751 W790 | D746-A748 PolarHBondContact O-N 3.44Å; A748-R750 HydrophobicContact CB-CG 3.72Å; A748-R750 PolarHBondContact O-N 2.64Å; A748-R750 VanDerWaalsContact O-N 3.12Å; A748-N751 PolarHBondContact O-N 2.65Å; A748-W790 VanDerWaalsContact CB-CD1 3.48Å; A748-W790 HydrophobicContact CB-CD2 4.07Å; A748-W790 HydrophobicContact CB-CG 3.91Å | ||
| 749 | A | 96.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -59.3 | -28.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L707 D708 N751 I752 E816 | L707-A749 WeakPolarHBondContact CB-O 3.36Å; L707-A749 PolarHBondContact N-O 3.01Å; D708-A749 HydrophobicContact CB-CB 3.84Å; D708-A749 PolarHBondContact N-O 3.08Å; A749-N751 VanDerWaalsContact C-N 3.26Å; A749-N751 PolarHBondContact O-N 2.9Å; A749-I752 PolarHBondContact O-N 3.34Å; A749-E816 HydrophobicContact CB-CB 3.92Å; A749-E816 HydrophobicContact CB-CG 4.35Å; A749-E816 WeakPolarHBondContact CB-OE2 3.43Å; A749-E816 PolarHBondContact N-OE2 2.99Å |
| 750 | R | 93.8 | Very high | 92.2 | Very high | 75 Ų | 75 | 31.5 Ų | 31.5 | 28% | 0.283 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -59 | -31.3 | 170.6 | 51.1 | 157 | -179.2 | -69.8 | -5.4 | 114.5 | S706 D708 D746 A748 W790 | S706-R750 VanDerWaalsContact CB-O 3.29Å; S706-R750 WeakPolarHBondContact CB-O 3.49Å; D708-R750 WeakPolarHBondContact OD1-CA 3.29Å; D746-R750 IonicContact OD1-CZ 3.61Å; D746-R750 IonicContact OD1-NE 4Å; D746-R750 IonicContact OD1-NH2 2.7Å; D746-R750 PolarHBondContact OD1-NH2 2.93Å; D746-R750 IonicContact OD2-NE 3.69Å; D746-R750 IonicContact OD2-NH2 2.97Å; A748-R750 HydrophobicContact CB-CG 3.72Å; A748-R750 PolarHBondContact O-N 2.64Å; A748-R750 VanDerWaalsContact O-N 3.12Å; R750-W790 VanDerWaalsContact NH1-CZ3 3.3Å |
| 751 | N | 94.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -98.8 | 5.9 | -174.4 | -61.9 | -1.4 | 0 | 0 | 0 | 111.5 | D746 A748 A749 S763 D764 | D746-N751 VanDerWaalsContact CG-ND2 3.28Å; D746-N751 PolarHBondContact O-ND2 3.44Å; D746-N751 PolarHBondContact OD2-ND2 3.13Å; A748-N751 PolarHBondContact O-N 2.65Å; A749-N751 VanDerWaalsContact C-N 3.26Å; A749-N751 PolarHBondContact O-N 2.9Å; N751-S763 CarbonylContact O-C 3.53Å; N751-S763 PolarHBondContact O-N 3.46Å; N751-S763 PolarHBondContact O-OG 3.38Å; N751-D764 HydrophobicContact CB-CB 4.39Å |
| 752 | I | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.5 | 168.5 | -54.6 | -54.8 | 0 | 0 | 0 | 108.6 | S706 L707 I730 L747 A749 C760 K761 V762 | S706-I752 CarbonylContact C-O 3.18Å; S706-I752 WeakPolarHBondContact CA-O 3.28Å; L707-I752 HydrophobicContact CB-CB 3.92Å; L707-I752 HydrophobicContact CB-CG2 4.06Å; L707-I752 HydrophobicContact CD2-CB 4.02Å; L707-I752 HydrophobicContact CD2-CG1 4.46Å; L707-I752 HydrophobicContact CD2-CG2 3.79Å; L707-I752 PolarHBondContact N-O 3.43Å; I730-I752 HydrophobicContact CD1-CG1 4.12Å; I730-I752 HydrophobicContact CD1-CG2 4Å; I730-I752 HydrophobicContact CG1-CD1 4.23Å; I730-I752 HydrophobicContact CG1-CG1 4.23Å; I730-I752 HydrophobicContact CG1-CG2 3.87Å; I730-I752 HydrophobicContact CG2-CD1 3.87Å; I730-I752 HydrophobicContact CG2-CG1 4.43Å; L747-I752 HydrophobicContact CD1-CD1 3.86Å; A749-I752 PolarHBondContact O-N 3.34Å; I752-C760 HydrophobicContact CG2-CB 3.65Å; I752-K761 CarbonylContact C-O 3.38Å; I752-K761 WeakPolarHBondContact CA-O 3.45Å; I752-V762 HydrophobicContact CD1-CB 4.25Å; I752-V762 HydrophobicContact CD1-CG1 4.39Å; I752-V762 HydrophobicContact CD1-CG2 3.93Å |
| 753 | L | 96.6 | Very high | 93.9 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 24% | 0.236 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 148.7 | 174.8 | -65.5 | 172.6 | 0 | 0 | 0 | 111.3 | I683 M702 G705 C760 K761 | I683-L753 HydrophobicContact CD1-CD1 3.92Å; I683-L753 HydrophobicContact CG1-CD1 4.4Å; M702-L753 HydrophobicContact CB-CB 3.89Å; M702-L753 HydrophobicContact CB-CD1 4.49Å; M702-L753 VanDerWaalsContact CE-C 3.48Å; M702-L753 HydrophobicContact CE-CB 3.92Å; M702-L753 VanDerWaalsContact CE-O 3.27Å; M702-L753 WeakPolarHBondContact CE-O 3.37Å; M702-L753 HydrophobicContact CG-CB 3.78Å; M702-L753 HydrophobicContact CG-CD1 4.15Å; G705-L753 CarbonylContact O-C 3.59Å; G705-L753 WeakPolarHBondContact O-CA 3.13Å; L753-C760 CarbonylContact O-C 3.6Å; L753-C760 WeakPolarHBondContact O-CA 3.29Å; L753-K761 PolarHBondContact N-O 3.31Å; L753-K761 PolarHBondContact O-N 3.47Å |
| 754 | V | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 134.1 | -176.5 | -169.2 | 0 | 0 | 0 | 0 | 110.7 | M702 N704 G705 L707 F710 | M702-V754 CarbonylContact C-O 3.47Å; N704-V754 HydrophobicContact CB-CB 3.93Å; N704-V754 HydrophobicContact CB-CG1 4.13Å; N704-V754 WeakPolarHBondContact CB-O 3.28Å; N704-V754 PolarHBondContact N-O 3.06Å; G705-V754 PolarHBondContact O-N 2.98Å; L707-V754 HydrophobicContact CB-CG2 3.72Å; L707-V754 HydrophobicContact CD1-CG2 3.66Å; L707-V754 HydrophobicContact CG-CG2 4.25Å; F710-V754 HydrophobicContact CD1-CB 4.41Å; F710-V754 HydrophobicContact CD1-CG1 4.1Å; F710-V754 HydrophobicContact CD1-CG2 4.26Å; F710-V754 HydrophobicContact CE1-CG1 4.06Å |
| 755 | N | 94.6 | Very high | 93.4 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | trans | -97.7 | 176.8 | 175.4 | 79.2 | 3.7 | 0 | 0 | 0 | 112.7 | M702 E703 N704 N757 L758 V759 | M702-N755 HydrophobicContact CE-CB 3.93Å; M702-N755 HydrophobicContact SD-CB 3.93Å; E703-N755 WeakPolarHBondContact OE2-CA 3.34Å; E703-N755 VanDerWaalsContact OE2-CB 3.29Å; E703-N755 WeakPolarHBondContact OE2-CB 3.41Å; N704-N755 PolarHBondContact ND2-O 2.96Å; N755-N757 PolarHBondContact O-N 3.16Å; N755-N757 VanDerWaalsContact O-N 3.13Å; N755-N757 WeakPolarHBondContact OD1-CA 3.42Å; N755-N757 PolarHBondContact OD1-N 3.36Å; N755-L758 PolarHBondContact O-N 3.05Å; N755-L758 PolarHBondContact OD1-N 3.14Å; N755-V759 PolarHBondContact N-O 2.93Å; N755-V759 WeakPolarHBondContact OD1-CB 3.5Å; N755-V759 PolarHBondContact OD1-N 3.06Å | ||
| 756 | S | 92.6 | Very high | 92.1 | Very high | 64 Ų | 64 | 28.3 Ų | 28.3 | 45% | 0.448 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -24.9 | -179.6 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | E703 | E703-S756 VanDerWaalsContact CD-CB 3.48Å; E703-S756 WeakPolarHBondContact OE1-CB 3.2Å; E703-S756 PolarHBondContact OE1-OG 3.36Å; E703-S756 PolarHBondContact OE2-N 3.32Å |
| 757 | N | 93.7 | Very high | 90.3 | Very high | 126 Ų | 126 | 30 Ų | 30 | 67% | 0.674 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 15.9 | 178.8 | -61.7 | -65.1 | 0 | 0 | 0 | 114 | N755 V759 | N755-N757 PolarHBondContact O-N 3.16Å; N755-N757 VanDerWaalsContact O-N 3.13Å; N755-N757 WeakPolarHBondContact OD1-CA 3.42Å; N755-N757 PolarHBondContact OD1-N 3.36Å; N757-V759 HydrophobicContact CB-CG2 4.24Å; N757-V759 PolarHBondContact O-N 3.02Å |
| 758 | L | 93.9 | Very high | 88.3 | Confident | 48 Ų | 48 | 30.3 Ų | 30.3 | 25% | 0.251 | 17% | 0.168 | S | C | . | . | trans | 61.1 | 19.6 | -175.9 | -48.4 | 179.8 | 0 | 0 | 0 | 114.4 | F710 F718 M726 N755 C760 | F710-L758 HydrophobicContact CE1-CD2 3.78Å; F710-L758 HydrophobicContact CZ-CD2 3.53Å; F718-L758 HydrophobicContact CE1-CD1 4.32Å; F718-L758 HydrophobicContact CE1-CD2 4.25Å; M726-L758 HydrophobicContact CE-CB 4.11Å; M726-L758 HydrophobicContact CE-CD1 4.23Å; M726-L758 HydrophobicContact CE-CD2 4.12Å; M726-L758 HydrophobicContact CE-CG 4.39Å; N755-L758 PolarHBondContact O-N 3.05Å; N755-L758 PolarHBondContact OD1-N 3.14Å; L758-C760 PolarHBondContact O-N 3.36Å | ||
| 759 | V | 96.5 | Very high | 86.2 | Confident | 52 Ų | 52 | 34.1 Ų | 34.1 | 32% | 0.315 | 18% | 0.182 | S | C | . | . | trans | -78.9 | 114.6 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | N755 N757 | N755-V759 PolarHBondContact N-O 2.93Å; N755-V759 WeakPolarHBondContact OD1-CB 3.5Å; N755-V759 PolarHBondContact OD1-N 3.06Å; N757-V759 HydrophobicContact CB-CG2 4.24Å; N757-V759 PolarHBondContact O-N 3.02Å | ||
| 760 | C | 97.7 | Very high | 83.3 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 136.1 | 172 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | N681 M726 I730 I752 L753 L758 | N681-C760 PolarHBondContact ND2-O 2.86Å; M726-C760 VanDerWaalsContact CB-SG 3.59Å; I730-C760 HydrophobicContact CD1-CB 4.2Å; I730-C760 HydrophobicContact CG1-CB 3.67Å; I752-C760 HydrophobicContact CG2-CB 3.65Å; L753-C760 CarbonylContact O-C 3.6Å; L753-C760 WeakPolarHBondContact O-CA 3.29Å; L758-C760 PolarHBondContact O-N 3.36Å |
| 761 | K | 97.6 | Very high | 80.4 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 9% | 0.087 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.4 | 174 | -62.4 | -169.6 | 164.8 | -148.2 | 0 | 111.3 | P680 N681 I682 I683 E700 M702 I752 L753 | P680-K761 WeakPolarHBondContact O-CE 3.41Å; N681-K761 WeakPolarHBondContact O-CA 3.38Å; I682-K761 WeakPolarHBondContact O-CD 3.19Å; I683-K761 HydrophobicContact CD1-CD 4.49Å; E700-K761 WeakPolarHBondContact OE1-CD 3.47Å; E700-K761 WeakPolarHBondContact OE1-CE 3.45Å; E700-K761 IonicContact OE1-NZ 2.74Å; E700-K761 PolarHBondContact OE1-NZ 2.9Å; E700-K761 VanDerWaalsContact OE2-CE 3.32Å; E700-K761 WeakPolarHBondContact OE2-CE 3.41Å; E700-K761 IonicContact OE2-NZ 2.87Å; E700-K761 PolarHBondContact OE2-NZ 2.86Å; M702-K761 HydrophobicContact CE-CB 3.87Å; M702-K761 HydrophobicContact CE-CD 3.79Å; M702-K761 HydrophobicContact CE-CG 3.68Å; M702-K761 HydrophobicContact SD-CD 3.92Å; M702-K761 HydrophobicContact SD-CG 4.47Å; I752-K761 CarbonylContact C-O 3.38Å; I752-K761 WeakPolarHBondContact CA-O 3.45Å; L753-K761 PolarHBondContact N-O 3.31Å; L753-K761 PolarHBondContact O-N 3.47Å |
| 762 | V | 96.8 | Very high | 77.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 137.3 | 174.6 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | N681 I682 I683 I730 M734 L737 H744 I752 | N681-V762 PolarHBondContact O-N 3.31Å; I682-V762 HydrophobicContact CD1-CB 3.81Å; I682-V762 HydrophobicContact CD1-CG2 4.13Å; I683-V762 WeakPolarHBondContact CG2-O 3.32Å; I683-V762 PolarHBondContact N-O 3.12Å; I730-V762 HydrophobicContact CG2-CG2 4.36Å; M734-V762 HydrophobicContact CG-CG2 4.37Å; M734-V762 HydrophobicContact SD-CG1 4.01Å; M734-V762 HydrophobicContact SD-CG2 4.15Å; L737-V762 HydrophobicContact CD1-CG1 4.24Å; H744-V762 WeakPolarHBondContact CD2-CG1 3.15Å; H744-V762 WeakPolarHBondContact NE2-CG1 3.38Å; I752-V762 HydrophobicContact CD1-CB 4.25Å; I752-V762 HydrophobicContact CD1-CG1 4.39Å; I752-V762 HydrophobicContact CD1-CG2 3.93Å |
| 763 | S | 92.5 | Very high | 74.3 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | trans | -150.9 | 179.8 | -176 | 71.1 | 0 | 0 | 0 | 0 | 112.2 | H744 N751 | H744-S763 PolarHBondContact CE1-O 2.76Å; H744-S763 VanDerWaalsContact CE1-O 3.32Å; H744-S763 PolarHBondContact NE2-O 3.47Å; N751-S763 CarbonylContact O-C 3.53Å; N751-S763 PolarHBondContact O-N 3.46Å; N751-S763 PolarHBondContact O-OG 3.38Å | ||
| 764 | D | 83.2 | Confident | 71.2 | Confident | 67 Ų | 67 | 58.7 Ų | 58.7 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | trans | 57.3 | 91.6 | -173.2 | -157.5 | -15.6 | 0 | 0 | 0 | 115.1 | H744 N751 G766 | H744-D764 PolarHBondContact CE1-O 2.77Å; N751-D764 HydrophobicContact CB-CB 4.39Å; D764-G766 PolarHBondContact OD1-N 3.39Å; D764-G766 VanDerWaalsContact OD1-N 3.12Å | ||
| 765 | F | 79.4 | Confident | 68 | Low | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | trans | -98.2 | 8.5 | -179.6 | -60.3 | -78.8 | 0 | 0 | 0 | 113.2 | I673 M674 F677 I682 I683 L737 Y742 M767 S768 | I673-F765 HydrophobicContact CB-CB 4.35Å; I673-F765 HydrophobicContact CD1-CB 4.31Å; I673-F765 HydrophobicContact CG2-CB 3.82Å; I673-F765 HydrophobicContact CG2-CD1 4.06Å; I673-F765 HydrophobicContact CG2-CG 3.88Å; M674-F765 HydrophobicContact CG-CD2 3.41Å; M674-F765 VanDerWaalsContact CG-CD2 3.41Å; M674-F765 HydrophobicContact CG-CE2 3.65Å; M674-F765 HydrophobicContact CG-CG 4.5Å; M674-F765 HydrophobicContact SD-CD2 4.13Å; M674-F765 HydrophobicContact SD-CE2 4.34Å; F677-F765 HydrophobicContact CD2-CE1 4.25Å; F677-F765 HydrophobicContact CD2-CZ 4.13Å; F677-F765 HydrophobicContact CE2-CD1 4.29Å; F677-F765 AromaticContact CE2-CE1 3.94Å; F677-F765 HydrophobicContact CE2-CE1 3.94Å; F677-F765 HydrophobicContact CE2-CZ 4.28Å; I682-F765 HydrophobicContact CG2-CZ 3.99Å; I683-F765 HydrophobicContact CG2-CE2 4Å; L737-F765 HydrophobicContact CD1-CE1 4.11Å; L737-F765 HydrophobicContact CD2-CE1 4.4Å; Y742-F765 AromaticContact CE1-CD1 3.66Å; Y742-F765 HydrophobicContact CE1-CD1 3.66Å; Y742-F765 AromaticContact CE1-CE1 3.99Å; Y742-F765 HydrophobicContact CE1-CE1 3.99Å; Y742-F765 AromaticContact CZ-CD1 3.83Å; Y742-F765 WeakPolarHBondContact OH-CD1 3.44Å; F765-M767 PolarHBondContact O-N 3.49Å; F765-S768 PolarHBondContact O-OG 2.94Å | ||
| 766 | G | 60.1 | Low | 65 | Low | 23 Ų | 23 | 72.3 Ų | 72.3 | 24% | 0.237 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -8.4 | -169 | 0 | 0 | 0 | 0 | 0 | 116.5 | D764 | D764-G766 PolarHBondContact OD1-N 3.39Å; D764-G766 VanDerWaalsContact OD1-N 3.12Å |
| 767 | M | 51.9 | Low | 61.9 | Low | 59 Ų | 59 | 72.1 Ų | 72.1 | 29% | 0.291 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 4 | -174 | -76.5 | -67.4 | -70.9 | 0 | 0 | 115.3 | D746 F765 R769 K785 | D746-M767 HydrophobicContact CB-CG 4.45Å; F765-M767 PolarHBondContact O-N 3.49Å; M767-R769 PolarHBondContact O-N 3.25Å; M767-K785 WeakPolarHBondContact CE-O 3.22Å |
| 768 | S | 51.5 | Low | 58.9 | Low | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | trans | -78 | 58.3 | 179.6 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | I673 Y742 F765 | I673-S768 WeakPolarHBondContact CD1-OG 3.27Å; Y742-S768 WeakPolarHBondContact OH-CB 3.25Å; F765-S768 PolarHBondContact O-OG 2.94Å | ||
| 769 | R | 51.2 | Low | 55.9 | Low | 79 Ų | 79 | 78.4 Ų | 78.4 | 30% | 0.298 | 42% | 0.42 | S | S | . | . | trans | -84.7 | 142.4 | 176.2 | -67.6 | -174.3 | 174.3 | 120.8 | -4.2 | 111.9 | D666 R745 M767 | D666-R769 IonicContact OD2-CZ 3.52Å; D666-R769 IonicContact OD2-NE 3.51Å; D666-R769 IonicContact OD2-NH2 3.58Å; D666-R769 PolarHBondContact OD2-NH2 3.23Å; R745-R769 PolarHBondContact NH1-O 3.12Å; M767-R769 PolarHBondContact O-N 3.25Å | ||
| 770 | V | 36.7 | Very low | 52.7 | Low | 88 Ų | 88 | 81.5 Ų | 81.5 | 53% | 0.533 | 44% | 0.44 | S | S | . | . | trans | -60.8 | 150.3 | -176.7 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | F600 | F600-V770 HydrophobicContact CB-CG2 4.19Š| ||
| 771 | L | 33.8 | Very low | 49.6 | Very low | 106 Ų | 106 | 86.2 Ų | 86.2 | 56% | 0.555 | 47% | 0.469 | S | S | * | . | trans | -85.6 | 115.7 | 167.7 | -69.7 | 166.4 | 0 | 0 | 0 | 108.2 | ||||
| 772 | E | 31 | Very low | 46.6 | Very low | 182 Ų | 182 | 97.8 Ų | 97.8 | 85% | 0.85 | 51% | 0.512 | S | S | * | . | trans | -94.8 | 130.9 | 166.7 | -68.1 | 179.5 | 157.2 | 0 | 0 | 108.5 | D774 | E772-D774 PolarHBondContact O-N 3.18Š| ||
| 773 | D | 32.7 | Very low | 44 | Very low | 168 Ų | 168 | 99.3 Ų | 99.3 | 90% | 0.898 | 53% | 0.527 | S | S | * | . | trans | -77.8 | 82 | -178.5 | -73.8 | -53 | 0 | 0 | 0 | 111.5 | ||||
| 774 | D | 30.1 | Very low | 42.1 | Very low | 105 Ų | 105 | 100 Ų | 100 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | trans | -109.8 | 105.1 | 166.7 | -175.3 | -16.2 | 0 | 0 | 0 | 110.3 | E772 E776 A777 | E772-D774 PolarHBondContact O-N 3.18Å; D774-E776 VanDerWaalsContact C-N 3.33Å; D774-E776 PolarHBondContact O-N 2.97Å; D774-E776 PolarHBondContact OD1-N 3.11Å; D774-A777 HydrophobicContact CB-CB 4.38Å | ||
| 775 | P | 31 | Very low | 40.9 | Very low | 131 Ų | 131 | 106 Ų | 106 | 85% | 0.851 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -13.6 | -179.4 | -21.9 | 35.1 | 0 | 0 | 0 | 116.2 | ||
| 776 | E | 30.8 | Very low | 40.5 | Very low | 181 Ų | 181 | 107.9 Ų | 107.9 | 85% | 0.846 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -7.1 | -171.9 | -67.6 | -161.3 | 116.3 | 0 | 0 | 114.5 | D774 A778 | D774-E776 VanDerWaalsContact C-N 3.33Å; D774-E776 PolarHBondContact O-N 2.97Å; D774-E776 PolarHBondContact OD1-N 3.11Å; E776-A778 PolarHBondContact O-N 3.41Å |
| 777 | A | 28.1 | Very low | 41.8 | Very low | 61 Ų | 61 | 107.9 Ų | 107.9 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | trans | -74.8 | 53.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | D774 | D774-A777 HydrophobicContact CB-CB 4.38Š| ||
| 778 | A | 29.5 | Very low | 43.5 | Very low | 72 Ų | 72 | 106.4 Ų | 106.4 | 60% | 0.595 | 56% | 0.558 | S | S | * | * | trans | -69.3 | 131.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E776 T780 | E776-A778 PolarHBondContact O-N 3.41Å; A778-T780 PolarHBondContact O-N 2.88Å | ||
| 779 | Y | 32.7 | Very low | 45.5 | Very low | 233 Ų | 233 | 106.8 Ų | 106.8 | 91% | 0.914 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 64.9 | 7.6 | 166.2 | -60.4 | -72.8 | 0 | 0 | 0 | 120.7 | ||
| 780 | T | 28.6 | Very low | 47.5 | Very low | 118 Ų | 118 | 104.7 Ų | 104.7 | 72% | 0.724 | 55% | 0.55 | S | S | * | * | trans | -128.1 | 127.9 | 163.2 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | A778 R782 | A778-T780 PolarHBondContact O-N 2.88Å; T780-R782 PolarHBondContact O-N 2.81Å | ||
| 781 | T | 32.5 | Very low | 50.2 | Low | 100 Ų | 100 | 100.7 Ų | 100.7 | 61% | 0.613 | 53% | 0.526 | S | S | * | . | trans | -94.8 | 97.3 | -162.2 | 55 | 0 | 0 | 0 | 0 | 114 | G783 | T781-G783 PolarHBondContact O-N 3.03Š| ||
| 782 | R | 35.5 | Very low | 53 | Low | 262 Ų | 262 | 95.7 Ų | 95.7 | 99% | 0.989 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -73.3 | -5.6 | 163.4 | -73.1 | -171.6 | 173.4 | -168.4 | 0.8 | 114.3 | T780 | T780-R782 PolarHBondContact O-N 2.81Š|
| 783 | G | 42.2 | Very low | 55.8 | Low | 32 Ų | 32 | 88.1 Ų | 88.1 | 33% | 0.33 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -132.6 | 69.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | T781 R799 | T781-G783 PolarHBondContact O-N 3.03Å; G783-R799 PolarHBondContact O-NH1 3.33Å |
| 784 | G | 50.7 | Low | 58.4 | Low | 25 Ų | 25 | 81.1 Ų | 81.1 | 26% | 0.258 | 43% | 0.428 | S | S | . | . | trans | 71.9 | 170 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 785 | K | 59.3 | Low | 61.1 | Low | 195 Ų | 195 | 76.1 Ų | 76.1 | 85% | 0.848 | 40% | 0.402 | S | S | * | . | trans | -84.4 | 136.6 | 169.5 | -66.5 | -178.6 | 178.5 | 179.6 | 0 | 109.2 | M767 | M767-K785 WeakPolarHBondContact CE-O 3.22Š| ||
| 786 | I | 70.4 | Confident | 63.7 | Low | 39 Ų | 39 | 71.5 Ų | 71.5 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | trans | -97.6 | 132.8 | 177.2 | -64.2 | -179.8 | 0 | 0 | 0 | 109.8 | I788 T791 R799 | I786-I788 VanDerWaalsContact C-N 3.27Å; I786-I788 HydrophobicContact CB-CD1 4.24Å; I786-I788 HydrophobicContact CG2-CD1 4.01Å; I786-I788 PolarHBondContact O-N 3Å; I786-T791 HydrophobicContact CG2-CG2 3.76Å; I786-T791 WeakPolarHBondContact CG2-OG1 3.43Å; I786-R799 HydrophobicContact CD1-CG 4.33Å | ||
| 787 | P | 86.9 | Confident | 66.1 | Low | 23 Ų | 23 | 65.5 Ų | 65.5 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | trans | -79.7 | 69.4 | -179.3 | 34.9 | -37.7 | 0 | 0 | 0 | 111.3 | D746 R789 W790 T791 | D746-P787 HydrophobicContact CB-CG 4.45Å; D746-P787 WeakPolarHBondContact OD1-CB 3.45Å; D746-P787 VanDerWaalsContact OD1-CG 3.28Å; D746-P787 WeakPolarHBondContact OD1-CG 3.44Å; P787-R789 VanDerWaalsContact C-N 3.33Å; P787-R789 PolarHBondContact O-N 2.89Å; P787-W790 HydrophobicContact CB-CE3 4.1Å; P787-W790 PolarHBondContact O-N 2.81Å; P787-T791 PolarHBondContact O-N 3.1Å; P787-T791 PolarHBondContact O-OG1 2.94Å | ||
| 788 | I | 87.9 | Confident | 68.4 | Low | 29 Ų | 29 | 70.3 Ų | 70.3 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -37.7 | -52.5 | -168 | -59 | -57.4 | 0 | 0 | 0 | 114.6 | I786 W790 T791 I796 N830 V833 I834 | I786-I788 VanDerWaalsContact C-N 3.27Å; I786-I788 HydrophobicContact CB-CD1 4.24Å; I786-I788 HydrophobicContact CG2-CD1 4.01Å; I786-I788 PolarHBondContact O-N 3Å; I788-W790 PolarHBondContact O-N 2.93Å; I788-W790 VanDerWaalsContact O-N 3.15Å; I788-T791 PolarHBondContact O-N 2.83Å; I788-I796 HydrophobicContact CG2-CD1 4.25Å; I788-N830 HydrophobicContact CB-CB 4.46Å; I788-N830 HydrophobicContact CG1-CB 4.35Å; I788-N830 HydrophobicContact CG2-CB 4.4Å; I788-V833 HydrophobicContact CG2-CG1 4.31Å; I788-I834 HydrophobicContact CD1-CD1 4.37Å; I788-I834 HydrophobicContact CG2-CD1 4.08Å; I788-I834 HydrophobicContact CG2-CG1 3.71Å |
| 789 | R | 93.3 | Very high | 70.6 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 5% | 0.049 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -62.1 | -22.7 | -175.8 | -64.5 | 163.8 | -170.4 | -88.5 | -8.1 | 115.2 | P787 R823 P824 Y825 W826 M828 N830 V833 | P787-R789 VanDerWaalsContact C-N 3.33Å; P787-R789 PolarHBondContact O-N 2.89Å; R789-R823 VanDerWaalsContact NH2-NH2 3.19Å; R789-P824 HydrophobicContact CB-CB 4.39Å; R789-P824 WeakPolarHBondContact CD-O 3.46Å; R789-P824 PolarHBondContact NH1-O 3.4Å; R789-Y825 HydrophobicContact CB-CD2 4.33Å; R789-Y825 HydrophobicContact CG-CD2 4.43Å; R789-Y825 PolarHBondContact NH1-O 2.83Å; R789-W826 PolarHBondContact NH1-O 2.87Å; R789-M828 PolarHBondContact NH2-O 3.11Å; R789-N830 PolarHBondContact NE-OD1 3.32Å; R789-N830 PolarHBondContact NH2-OD1 3.21Å; R789-V833 HydrophobicContact CG-CG1 4.32Å; R789-V833 HydrophobicContact CG-CG2 4.49Å |
| 790 | W | 94.9 | Very high | 72.5 | Confident | 36 Ų | 36 | 65.7 Ų | 65.7 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -102.4 | -9.4 | 176.7 | -62.6 | -97.1 | 0 | 0 | 0 | 112.4 | A748 R750 P787 I788 S809 I812 E816 P824 | A748-W790 VanDerWaalsContact CB-CD1 3.48Å; A748-W790 HydrophobicContact CB-CD2 4.07Å; A748-W790 HydrophobicContact CB-CG 3.91Å; R750-W790 VanDerWaalsContact NH1-CZ3 3.3Å; P787-W790 HydrophobicContact CB-CE3 4.1Å; P787-W790 PolarHBondContact O-N 2.81Å; I788-W790 PolarHBondContact O-N 2.93Å; I788-W790 VanDerWaalsContact O-N 3.15Å; W790-S809 VanDerWaalsContact O-CA 3.32Å; W790-S809 WeakPolarHBondContact O-CA 3.4Å; W790-S809 WeakPolarHBondContact O-CB 3.41Å; W790-S809 PolarHBondContact O-OG 2.88Å; W790-I812 HydrophobicContact CG-CG2 4.07Å; W790-E816 WeakPolarHBondContact CZ2-OE1 3.05Å; W790-E816 PolarHBondContact NE1-OE1 3.5Å; W790-E816 PolarHBondContact NE1-OE2 2.86Å; W790-P824 HydrophobicContact CZ2-CG 4.03Å |
| 791 | T | 91.8 | Very high | 75 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -89.5 | 138.8 | -169.3 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | I786 P787 I788 A795 I796 F801 W808 | I786-T791 HydrophobicContact CG2-CG2 3.76Å; I786-T791 WeakPolarHBondContact CG2-OG1 3.43Å; P787-T791 PolarHBondContact O-N 3.1Å; P787-T791 PolarHBondContact O-OG1 2.94Å; I788-T791 PolarHBondContact O-N 2.83Å; T791-A795 HydrophobicContact CG2-CB 3.6Å; T791-I796 HydrophobicContact CG2-CG1 3.66Å; T791-F801 HydrophobicContact CG2-CE1 4.43Å; T791-W808 PolarHBondContact O-NE1 3.32Å |
| 792 | A | 92.6 | Very high | 77.5 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | trans | -70.2 | 152 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | E794 A795 I796 W808 | A792-E794 VanDerWaalsContact C-N 3.3Å; A792-E794 WeakPolarHBondContact CB-OE1 3.33Å; A792-E794 WeakPolarHBondContact CB-OE2 3.27Å; A792-E794 PolarHBondContact O-N 3.42Å; A792-A795 WeakPolarHBondContact O-CA 3.38Å; A792-A795 PolarHBondContact O-N 2.89Å; A792-I796 PolarHBondContact O-N 3.07Å; A792-W808 HydrophobicContact CB-CB 3.74Å; A792-W808 HydrophobicContact CB-CD2 4.15Å; A792-W808 HydrophobicContact CB-CG 3.75Å | ||
| 793 | P | 91.1 | Very high | 80 | Confident | 23 Ų | 23 | 48.1 Ų | 48.1 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53.7 | -42.6 | -177 | -24.9 | 32.6 | 0 | 0 | 0 | 113.6 | A795 I796 A797 W808 I837 | P793-A795 VanDerWaalsContact C-N 3.28Å; P793-A795 PolarHBondContact O-N 3.08Å; P793-I796 PolarHBondContact O-N 3.41Å; P793-A797 WeakPolarHBondContact O-CB 3.23Å; P793-A797 PolarHBondContact O-N 2.79Å; P793-W808 HydrophobicContact CG-CE3 4.34Å; P793-W808 HydrophobicContact CG-CH2 3.6Å; P793-W808 HydrophobicContact CG-CZ2 4.09Å; P793-W808 HydrophobicContact CG-CZ3 3.73Å; P793-I837 HydrophobicContact CG-CG2 3.76Å |
| 794 | E | 87.3 | Confident | 82.2 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.9 | -22.3 | 179.9 | 74.6 | -75.5 | -177 | 0 | 0 | 113.8 | A792 Y798 R799 K800 R868 | A792-E794 VanDerWaalsContact C-N 3.3Å; A792-E794 WeakPolarHBondContact CB-OE1 3.33Å; A792-E794 WeakPolarHBondContact CB-OE2 3.27Å; A792-E794 PolarHBondContact O-N 3.42Å; E794-Y798 HydrophobicContact CB-CD2 4.33Å; E794-Y798 CarbonylContact O-C 3.58Å; E794-Y798 WeakPolarHBondContact O-CA 3.09Å; E794-Y798 WeakPolarHBondContact O-CB 3.08Å; E794-Y798 PolarHBondContact O-N 3.08Å; E794-Y798 VanDerWaalsContact O-N 3.12Å; E794-R799 PolarHBondContact O-N 2.77Å; E794-K800 PolarHBondContact O-N 3.05Å; E794-R868 IonicContact OE1-CZ 2.69Å; E794-R868 IonicContact OE1-NH1 3.61Å; E794-R868 PolarHBondContact OE1-NH1 2.85Å; E794-R868 IonicContact OE1-NH2 2.69Å; E794-R868 IonicContact OE2-CZ 3.37Å; E794-R868 IonicContact OE2-NH1 2.69Å; E794-R868 PolarHBondContact OE2-NH1 2.89Å; E794-R868 IonicContact OE2-NH2 2.89Å; E794-R868 PolarHBondContact OE2-NH2 3.5Å |
| 795 | A | 86.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -87.7 | -26.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T791 A792 P793 R799 F801 | T791-A795 HydrophobicContact CG2-CB 3.6Å; A792-A795 WeakPolarHBondContact O-CA 3.38Å; A792-A795 PolarHBondContact O-N 2.89Å; P793-A795 VanDerWaalsContact C-N 3.28Å; P793-A795 PolarHBondContact O-N 3.08Å; A795-R799 VanDerWaalsContact O-CA 3.29Å; A795-R799 WeakPolarHBondContact O-CA 3.47Å; A795-R799 PolarHBondContact O-N 3.01Å; A795-F801 HydrophobicContact CB-CD1 3.92Å; A795-F801 HydrophobicContact CB-CE1 3.83Å; A795-F801 HydrophobicContact CB-CG 4.43Å; A795-F801 HydrophobicContact CB-CZ 4.23Å |
| 796 | I | 84.8 | Confident | 85.7 | Confident | 34 Ų | 34 | 37.2 Ų | 37.2 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.6 | -57.7 | 167.5 | -62.5 | 172.3 | 0 | 0 | 0 | 109.8 | I788 T791 A792 P793 I834 | I788-I796 HydrophobicContact CG2-CD1 4.25Å; T791-I796 HydrophobicContact CG2-CG1 3.66Å; A792-I796 PolarHBondContact O-N 3.07Å; P793-I796 PolarHBondContact O-N 3.41Å; I796-I834 HydrophobicContact CD1-CG1 4.36Å; I796-I834 HydrophobicContact CG2-CD1 4.06Å; I796-I834 HydrophobicContact CG2-CG1 4.16Å |
| 797 | A | 81.1 | Confident | 87 | Confident | 54 Ų | 54 | 35.6 Ų | 35.6 | 45% | 0.446 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -74 | -35.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | P793 | P793-A797 WeakPolarHBondContact O-CB 3.23Å; P793-A797 PolarHBondContact O-N 2.79Å |
| 798 | Y | 76.8 | Confident | 87.5 | Confident | 162 Ų | 162 | 34.5 Ų | 34.5 | 64% | 0.635 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -126.8 | 5.1 | -171.3 | -46.3 | -62.7 | 0 | 0 | 0 | 114.4 | E794 K800 | E794-Y798 HydrophobicContact CB-CD2 4.33Å; E794-Y798 CarbonylContact O-C 3.58Å; E794-Y798 WeakPolarHBondContact O-CA 3.09Å; E794-Y798 WeakPolarHBondContact O-CB 3.08Å; E794-Y798 PolarHBondContact O-N 3.08Å; E794-Y798 VanDerWaalsContact O-N 3.12Å; Y798-K800 PolarHBondContact O-N 3.41Å; Y798-K800 VanDerWaalsContact O-N 3.07Å |
| 799 | R | 74.6 | Confident | 88 | Confident | 85 Ų | 85 | 33.3 Ų | 33.3 | 32% | 0.321 | 17% | 0.165 | S | C | . | . | trans | 53.4 | 23.2 | -173.9 | -66.8 | -177.4 | 166.1 | -112.7 | -9.5 | 114.7 | G783 I786 E794 A795 F801 | G783-R799 PolarHBondContact O-NH1 3.33Å; I786-R799 HydrophobicContact CD1-CG 4.33Å; E794-R799 PolarHBondContact O-N 2.77Å; A795-R799 VanDerWaalsContact O-CA 3.29Å; A795-R799 WeakPolarHBondContact O-CA 3.47Å; A795-R799 PolarHBondContact O-N 3.01Å; R799-F801 HydrophobicContact CB-CE2 4.37Å; R799-F801 WeakPolarHBondContact O-CD2 3.3Å; R799-F801 PolarHBondContact O-N 2.78Å; R799-F801 VanDerWaalsContact O-N 3.11Å | ||
| 800 | K | 73.2 | Confident | 88.2 | Confident | 124 Ų | 124 | 32.7 Ų | 32.7 | 54% | 0.539 | 16% | 0.163 | S | C | . | . | trans | -86 | 78.2 | -177 | -74.3 | 174 | -175.2 | 172.5 | 0 | 112.3 | E794 Y798 | E794-K800 PolarHBondContact O-N 3.05Å; Y798-K800 PolarHBondContact O-N 3.41Å; Y798-K800 VanDerWaalsContact O-N 3.07Å | ||
| 801 | F | 81.9 | Confident | 88.4 | Confident | 39 Ų | 39 | 31 Ų | 31 | 17% | 0.171 | 16% | 0.156 | C | C | . | . | trans | -71.6 | 133.1 | 175 | -61.5 | -84.6 | 0 | 0 | 0 | 112.1 | V743 R745 T791 A795 R799 | V743-F801 HydrophobicContact CG1-CB 4.19Å; R745-F801 HydrophobicContact CB-CD1 3.68Å; R745-F801 HydrophobicContact CB-CE1 3.94Å; R745-F801 HydrophobicContact CB-CG 4.29Å; R745-F801 HydrophobicContact CG-CB 3.98Å; R745-F801 HydrophobicContact CG-CD1 3.73Å; R745-F801 HydrophobicContact CG-CE1 4.42Å; R745-F801 HydrophobicContact CG-CG 3.87Å; T791-F801 HydrophobicContact CG2-CE1 4.43Å; A795-F801 HydrophobicContact CB-CD1 3.92Å; A795-F801 HydrophobicContact CB-CE1 3.83Å; A795-F801 HydrophobicContact CB-CG 4.43Å; A795-F801 HydrophobicContact CB-CZ 4.23Å; R799-F801 HydrophobicContact CB-CE2 4.37Å; R799-F801 WeakPolarHBondContact O-CD2 3.3Å; R799-F801 PolarHBondContact O-N 2.78Å; R799-F801 VanDerWaalsContact O-N 3.11Å | ||
| 802 | T | 85 | Confident | 88.7 | Confident | 36 Ų | 36 | 30.9 Ų | 30.9 | 22% | 0.221 | 16% | 0.155 | C | C | . | . | trans | -150.9 | 170.4 | 177 | 62.7 | 0 | 0 | 0 | 0 | 110.4 | A804 S805 D806 | T802-A804 PolarHBondContact O-N 2.89Å; T802-A804 PolarHBondContact OG1-N 2.84Å; T802-S805 PolarHBondContact N-OG 2.91Å; T802-S805 PolarHBondContact O-N 2.9Å; T802-S805 PolarHBondContact O-OG 3.03Å; T802-S805 PolarHBondContact OG1-N 2.91Å; T802-D806 PolarHBondContact O-N 3.32Å; T802-D806 VanDerWaalsContact O-N 3.12Å | ||
| 803 | S | 87.4 | Confident | 89 | Confident | 35 Ų | 35 | 30.8 Ų | 30.8 | 25% | 0.245 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55 | -25.9 | 170.6 | -41 | 0 | 0 | 0 | 0 | 113.2 | S738 V807 | S738-S803 VanDerWaalsContact OG-CB 3.26Å; S738-S803 WeakPolarHBondContact OG-CB 3.13Å; S738-S803 PolarHBondContact OG-OG 3.12Å; S803-V807 WeakPolarHBondContact O-CG2 3.33Å; S803-V807 PolarHBondContact O-N 2.9Å |
| 804 | A | 88.7 | Confident | 89.3 | Confident | 21 Ų | 21 | 29.7 Ų | 29.7 | 17% | 0.174 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -78.5 | -22.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T802 W808 R865 R868 | T802-A804 PolarHBondContact O-N 2.89Å; T802-A804 PolarHBondContact OG1-N 2.84Å; A804-W808 PolarHBondContact O-N 3.38Å; A804-R865 HydrophobicContact CB-CB 4.04Å; A804-R865 WeakPolarHBondContact CB-O 3.3Å; A804-R868 WeakPolarHBondContact O-CD 3.44Å; A804-R868 PolarHBondContact O-NH1 2.59Å |
| 805 | S | 89.8 | Confident | 89.8 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -76.6 | -36.8 | 168.1 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | T802 V807 W808 S809 | T802-S805 PolarHBondContact N-OG 2.91Å; T802-S805 PolarHBondContact O-N 2.9Å; T802-S805 PolarHBondContact O-OG 3.03Å; T802-S805 PolarHBondContact OG1-N 2.91Å; S805-V807 VanDerWaalsContact C-N 3.28Å; S805-V807 PolarHBondContact O-N 3.35Å; S805-W808 WeakPolarHBondContact O-CB 3.45Å; S805-W808 PolarHBondContact O-N 2.81Å; S805-S809 PolarHBondContact O-N 3.11Å; S805-S809 VanDerWaalsContact O-N 3.13Å; S805-S809 PolarHBondContact O-OG 3.41Å |
| 806 | D | 93.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64 | -31.8 | 171.7 | -73.6 | -5.9 | 0 | 0 | 0 | 112.1 | M734 V743 H744 R745 T802 S809 Y810 F871 | M734-D806 HydrophobicContact CE-CB 3.89Å; M734-D806 WeakPolarHBondContact CE-OD2 3.16Å; V743-D806 WeakPolarHBondContact CA-OD2 3.25Å; V743-D806 WeakPolarHBondContact CG1-OD2 3.41Å; H744-D806 PolarHBondContact N-OD2 3.41Å; R745-D806 PolarHBondContact N-OD1 3.06Å; T802-D806 PolarHBondContact O-N 3.32Å; T802-D806 VanDerWaalsContact O-N 3.12Å; D806-S809 WeakPolarHBondContact O-CB 3.42Å; D806-S809 PolarHBondContact O-N 3.2Å; D806-Y810 WeakPolarHBondContact O-CB 3.27Å; D806-Y810 PolarHBondContact O-N 3Å; D806-F871 HydrophobicContact CB-CE2 4.01Å; D806-F871 HydrophobicContact CB-CZ 4.04Å |
| 807 | V | 97.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 172.2 | 163.3 | 0 | 0 | 0 | 0 | 112 | S803 S805 Y810 G811 C860 R868 P869 F871 I874 | S803-V807 WeakPolarHBondContact O-CG2 3.33Å; S803-V807 PolarHBondContact O-N 2.9Å; S805-V807 VanDerWaalsContact C-N 3.28Å; S805-V807 PolarHBondContact O-N 3.35Å; V807-Y810 WeakPolarHBondContact O-CB 3.4Å; V807-Y810 PolarHBondContact O-N 3.12Å; V807-G811 PolarHBondContact O-N 2.94Å; V807-C860 HydrophobicContact CG1-CB 3.94Å; V807-R868 HydrophobicContact CG1-CB 3.92Å; V807-P869 WeakPolarHBondContact CG1-O 3.33Å; V807-P869 WeakPolarHBondContact CG2-O 3.15Å; V807-F871 HydrophobicContact CB-CZ 4.38Å; V807-F871 HydrophobicContact CG2-CD1 4.27Å; V807-F871 HydrophobicContact CG2-CD2 3.91Å; V807-F871 HydrophobicContact CG2-CE1 4.01Å; V807-F871 HydrophobicContact CG2-CE2 3.63Å; V807-F871 HydrophobicContact CG2-CG 4.22Å; V807-F871 HydrophobicContact CG2-CZ 3.68Å; V807-I874 HydrophobicContact CG1-CD1 4.02Å; V807-I874 HydrophobicContact CG2-CD1 4.1Å |
| 808 | W | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 173.8 | 175.3 | -72.7 | 0 | 0 | 0 | 111 | T791 A792 P793 A804 S805 Y810 G811 I812 I837 C860 W861 | T791-W808 PolarHBondContact O-NE1 3.32Å; A792-W808 HydrophobicContact CB-CB 3.74Å; A792-W808 HydrophobicContact CB-CD2 4.15Å; A792-W808 HydrophobicContact CB-CG 3.75Å; P793-W808 HydrophobicContact CG-CE3 4.34Å; P793-W808 HydrophobicContact CG-CH2 3.6Å; P793-W808 HydrophobicContact CG-CZ2 4.09Å; P793-W808 HydrophobicContact CG-CZ3 3.73Å; A804-W808 PolarHBondContact O-N 3.38Å; S805-W808 WeakPolarHBondContact O-CB 3.45Å; S805-W808 PolarHBondContact O-N 2.81Å; W808-Y810 VanDerWaalsContact C-N 3.29Å; W808-Y810 PolarHBondContact O-N 2.81Å; W808-G811 WeakPolarHBondContact O-CA 3.34Å; W808-G811 PolarHBondContact O-N 3.29Å; W808-I812 PolarHBondContact O-N 3.39Å; W808-I812 VanDerWaalsContact O-N 3.15Å; W808-I837 HydrophobicContact CH2-CG2 3.82Å; W808-I837 HydrophobicContact CZ2-CD1 4.26Å; W808-I837 HydrophobicContact CZ2-CG1 4.38Å; W808-I837 HydrophobicContact CZ2-CG2 3.81Å; W808-C860 WeakPolarHBondContact CA-O 3.38Å; W808-W861 AromaticContact CD2-CD1 3.86Å; W808-W861 HydrophobicContact CE3-CB 4.12Å; W808-W861 HydrophobicContact CH2-CB 4.26Å; W808-W861 HydrophobicContact CZ3-CB 3.99Å; W808-W861 WeakPolarHBondContact CZ3-O 3.46Å; W808-W861 PolarHBondContact O-NE1 3.47Å |
| 809 | S | 97.5 | Very high | 92.2 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 4% | 0.035 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.2 | -40.6 | 175.4 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | L747 W790 S805 D806 G811 I812 V813 | L747-S809 WeakPolarHBondContact O-CB 3.36Å; W790-S809 VanDerWaalsContact O-CA 3.32Å; W790-S809 WeakPolarHBondContact O-CA 3.4Å; W790-S809 WeakPolarHBondContact O-CB 3.41Å; W790-S809 PolarHBondContact O-OG 2.88Å; S805-S809 PolarHBondContact O-N 3.11Å; S805-S809 VanDerWaalsContact O-N 3.13Å; S805-S809 PolarHBondContact O-OG 3.41Å; D806-S809 WeakPolarHBondContact O-CB 3.42Å; D806-S809 PolarHBondContact O-N 3.2Å; S809-G811 VanDerWaalsContact C-N 3.33Å; S809-G811 PolarHBondContact O-N 3.04Å; S809-I812 WeakPolarHBondContact O-CA 3.45Å; S809-I812 WeakPolarHBondContact O-CB 3.34Å; S809-I812 PolarHBondContact O-N 2.9Å; S809-I812 VanDerWaalsContact O-N 3.08Å; S809-V813 PolarHBondContact O-N 2.73Å |
| 810 | Y | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.5 | -36.9 | 173.3 | -179.3 | -94.3 | 0 | 0 | 0 | 112.6 | L727 I730 L747 D806 V807 W808 I812 V813 M814 F871 I874 L878 | L727-Y810 PolarHBondContact O-OH 2.78Å; I730-Y810 HydrophobicContact CB-CE2 4.03Å; I730-Y810 HydrophobicContact CG2-CD2 3.93Å; I730-Y810 HydrophobicContact CG2-CE2 3.75Å; L747-Y810 HydrophobicContact CD2-CD2 4.31Å; D806-Y810 WeakPolarHBondContact O-CB 3.27Å; D806-Y810 PolarHBondContact O-N 3Å; V807-Y810 WeakPolarHBondContact O-CB 3.4Å; V807-Y810 PolarHBondContact O-N 3.12Å; W808-Y810 VanDerWaalsContact C-N 3.29Å; W808-Y810 PolarHBondContact O-N 2.81Å; Y810-I812 VanDerWaalsContact C-N 3.29Å; Y810-I812 PolarHBondContact O-N 2.84Å; Y810-V813 CarbonylContact O-C 3.53Å; Y810-V813 PolarHBondContact O-N 3.34Å; Y810-V813 VanDerWaalsContact O-N 3.16Å; Y810-M814 HydrophobicContact CD1-CG 3.98Å; Y810-M814 HydrophobicContact CD1-SD 4.02Å; Y810-M814 HydrophobicContact CE1-CG 3.52Å; Y810-M814 HydrophobicContact CE1-SD 3.49Å; Y810-M814 WeakPolarHBondContact CE1-SD 3.41Å; Y810-M814 WeakPolarHBondContact O-CG 3.4Å; Y810-M814 PolarHBondContact O-N 2.59Å; Y810-F871 HydrophobicContact CD1-CE1 4.32Å; Y810-F871 HydrophobicContact CD2-CE1 4.07Å; Y810-F871 AromaticContact CG-CE1 3.76Å; Y810-F871 HydrophobicContact CG-CE1 3.76Å; Y810-I874 HydrophobicContact CD1-CD1 4.13Å; Y810-I874 HydrophobicContact CD1-CG2 4.18Å; Y810-I874 HydrophobicContact CE1-CD1 4.43Å; Y810-I874 HydrophobicContact CE1-CG2 3.45Å; Y810-I874 VanDerWaalsContact CE1-CG2 3.45Å; Y810-L878 VanDerWaalsContact OH-CD1 3.23Å; Y810-L878 WeakPolarHBondContact OH-CD1 3.22Å |
| 811 | G | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.8 | -38.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V807 W808 S809 M814 W815 W861 | V807-G811 PolarHBondContact O-N 2.94Å; W808-G811 WeakPolarHBondContact O-CA 3.34Å; W808-G811 PolarHBondContact O-N 3.29Å; S809-G811 VanDerWaalsContact C-N 3.33Å; S809-G811 PolarHBondContact O-N 3.04Å; G811-M814 WeakPolarHBondContact O-CB 3.39Å; G811-M814 PolarHBondContact O-N 3.44Å; G811-W815 PolarHBondContact O-N 3.4Å; G811-W815 VanDerWaalsContact O-N 3.1Å; G811-W861 WeakPolarHBondContact O-CZ2 3.42Å |
| 812 | I | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | 172.7 | -56.8 | -69.4 | 0 | 0 | 0 | 110.8 | W790 W808 S809 Y810 M814 W815 E816 P824 Y825 L843 W861 | W790-I812 HydrophobicContact CG-CG2 4.07Å; W808-I812 PolarHBondContact O-N 3.39Å; W808-I812 VanDerWaalsContact O-N 3.15Å; S809-I812 WeakPolarHBondContact O-CA 3.45Å; S809-I812 WeakPolarHBondContact O-CB 3.34Å; S809-I812 PolarHBondContact O-N 2.9Å; S809-I812 VanDerWaalsContact O-N 3.08Å; Y810-I812 VanDerWaalsContact C-N 3.29Å; Y810-I812 PolarHBondContact O-N 2.84Å; I812-M814 VanDerWaalsContact C-N 3.32Å; I812-M814 PolarHBondContact O-N 3.32Å; I812-W815 CarbonylContact O-C 3.55Å; I812-W815 WeakPolarHBondContact O-CA 3.34Å; I812-W815 WeakPolarHBondContact O-CB 3.38Å; I812-W815 PolarHBondContact O-N 2.04Å; I812-W815 VanDerWaalsContact O-N 3.07Å; I812-E816 HydrophobicContact CG2-CG 4.48Å; I812-E816 WeakPolarHBondContact O-CG 3.07Å; I812-E816 PolarHBondContact O-N 3.11Å; I812-P824 HydrophobicContact CG2-CB 3.81Å; I812-P824 HydrophobicContact CG2-CG 3.58Å; I812-Y825 HydrophobicContact CD1-CE2 4.02Å; I812-L843 HydrophobicContact CD1-CD1 3.91Å; I812-W861 HydrophobicContact CD1-CZ2 3.77Å; I812-W861 HydrophobicContact CG1-CZ2 4.5Å |
| 813 | V | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.7 | -37.1 | 173.3 | 177.1 | 0 | 0 | 0 | 0 | 112 | I730 L747 S809 Y810 W815 E816 V817 | I730-V813 HydrophobicContact CD1-CG1 4.02Å; L747-V813 HydrophobicContact CG-CG2 4.2Å; S809-V813 PolarHBondContact O-N 2.73Å; Y810-V813 CarbonylContact O-C 3.53Å; Y810-V813 PolarHBondContact O-N 3.34Å; Y810-V813 VanDerWaalsContact O-N 3.16Å; V813-W815 VanDerWaalsContact C-N 3.28Å; V813-W815 PolarHBondContact O-N 3.26Å; V813-E816 PolarHBondContact O-N 3.24Å; V813-V817 HydrophobicContact CG1-CG2 4.3Å; V813-V817 VanDerWaalsContact O-CG2 3.31Å; V813-V817 WeakPolarHBondContact O-CG2 3.05Å; V813-V817 PolarHBondContact O-N 3.4Å |
| 814 | M | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59 | -41.1 | 171.3 | -74.8 | -174 | 64.7 | 0 | 0 | 111.7 | L727 Y810 G811 I812 M818 L853 L856 M857 | L727-M814 HydrophobicContact CD1-CB 4.39Å; L727-M814 HydrophobicContact CD1-CG 4.12Å; L727-M814 HydrophobicContact CD2-CB 4.36Å; L727-M814 HydrophobicContact CD2-CG 3.96Å; Y810-M814 HydrophobicContact CD1-CG 3.98Å; Y810-M814 HydrophobicContact CD1-SD 4.02Å; Y810-M814 HydrophobicContact CE1-CG 3.52Å; Y810-M814 HydrophobicContact CE1-SD 3.49Å; Y810-M814 WeakPolarHBondContact CE1-SD 3.41Å; Y810-M814 WeakPolarHBondContact O-CG 3.4Å; Y810-M814 PolarHBondContact O-N 2.59Å; G811-M814 WeakPolarHBondContact O-CB 3.39Å; G811-M814 PolarHBondContact O-N 3.44Å; I812-M814 VanDerWaalsContact C-N 3.32Å; I812-M814 PolarHBondContact O-N 3.32Å; M814-M818 WeakPolarHBondContact O-CG 3.46Å; M814-M818 PolarHBondContact O-N 3.37Å; M814-L853 HydrophobicContact CE-CB 4.42Å; M814-L853 HydrophobicContact CE-CD2 4.22Å; M814-L853 WeakPolarHBondContact CE-O 3.34Å; M814-L856 HydrophobicContact CE-CB 4.03Å; M814-L856 HydrophobicContact CE-CD2 3.96Å; M814-L856 HydrophobicContact CE-CG 3.91Å; M814-L856 HydrophobicContact SD-CD2 4.31Å; M814-L856 HydrophobicContact SD-CG 4.03Å; M814-M857 HydrophobicContact CB-CE 4.09Å; M814-M857 HydrophobicContact CB-CG 3.76Å; M814-M857 HydrophobicContact CB-SD 4.49Å; M814-M857 HydrophobicContact CE-CE 4.49Å; M814-M857 HydrophobicContact CE-CG 4.03Å; M814-M857 WeakPolarHBondContact O-CE 3.28Å; M814-M857 HydrophobicContact SD-CG 4.38Å |
| 815 | W | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 1% | 0.011 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66 | -50.5 | 174.5 | -169.7 | 92.8 | 0 | 0 | 0 | 111.2 | G811 I812 V813 V817 M818 S819 E822 P824 W826 L843 P844 P846 M857 W861 | G811-W815 PolarHBondContact O-N 3.4Å; G811-W815 VanDerWaalsContact O-N 3.1Å; I812-W815 CarbonylContact O-C 3.55Å; I812-W815 WeakPolarHBondContact O-CA 3.34Å; I812-W815 WeakPolarHBondContact O-CB 3.38Å; I812-W815 PolarHBondContact O-N 2.04Å; I812-W815 VanDerWaalsContact O-N 3.07Å; V813-W815 VanDerWaalsContact C-N 3.28Å; V813-W815 PolarHBondContact O-N 3.26Å; W815-V817 VanDerWaalsContact C-N 3.29Å; W815-V817 PolarHBondContact O-N 2.74Å; W815-M818 CarbonylContact O-C 3.6Å; W815-M818 PolarHBondContact O-N 2.62Å; W815-M818 VanDerWaalsContact O-N 3.08Å; W815-S819 VanDerWaalsContact CE3-OG 3.31Å; W815-S819 VanDerWaalsContact CZ3-OG 3.25Å; W815-S819 WeakPolarHBondContact CZ3-OG 3.26Å; W815-S819 WeakPolarHBondContact O-CB 3.47Å; W815-S819 PolarHBondContact O-N 3.11Å; W815-S819 PolarHBondContact O-OG 3.2Å; W815-E822 HydrophobicContact CH2-CB 3.73Å; W815-E822 WeakPolarHBondContact CH2-OE2 3.43Å; W815-E822 HydrophobicContact CZ3-CB 3.81Å; W815-P824 HydrophobicContact CE3-CG 4.36Å; W815-P824 HydrophobicContact CZ3-CG 4.42Å; W815-W826 AromaticContact CH2-NE1 3.92Å; W815-W826 HydrophobicContact CZ2-CZ2 4.18Å; W815-L843 HydrophobicContact CB-CD1 4.44Å; W815-L843 HydrophobicContact CD2-CB 4.49Å; W815-L843 HydrophobicContact CD2-CD1 3.83Å; W815-L843 HydrophobicContact CE3-CD1 4.22Å; W815-L843 HydrophobicContact CG-CB 4.26Å; W815-L843 HydrophobicContact CG-CD1 3.91Å; W815-P844 PolarHBondContact NE1-O 2.75Å; W815-P846 HydrophobicContact CD2-CG 4.35Å; W815-P846 HydrophobicContact CG-CG 4.11Å; W815-M857 HydrophobicContact CB-SD 4.14Å; W815-W861 HydrophobicContact CB-CH2 4.08Å; W815-W861 HydrophobicContact CB-CZ2 4.09Å; W815-W861 HydrophobicContact CG-CH2 4.34Å |
| 816 | E | 97.4 | Very high | 94.6 | Very high | 8 Ų | 8 | 17.4 Ų | 17.4 | 4% | 0.037 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -54.2 | -41.1 | 177.5 | -70.4 | 179.7 | 119.1 | 0 | 0 | 112.5 | A749 W790 I812 V813 S819 Y820 G821 P824 | A749-E816 HydrophobicContact CB-CB 3.92Å; A749-E816 HydrophobicContact CB-CG 4.35Å; A749-E816 WeakPolarHBondContact CB-OE2 3.43Å; A749-E816 PolarHBondContact N-OE2 2.99Å; W790-E816 WeakPolarHBondContact CZ2-OE1 3.05Å; W790-E816 PolarHBondContact NE1-OE1 3.5Å; W790-E816 PolarHBondContact NE1-OE2 2.86Å; I812-E816 HydrophobicContact CG2-CG 4.48Å; I812-E816 WeakPolarHBondContact O-CG 3.07Å; I812-E816 PolarHBondContact O-N 3.11Å; V813-E816 PolarHBondContact O-N 3.24Å; E816-S819 PolarHBondContact O-OG 3.27Å; E816-Y820 PolarHBondContact O-N 3.11Å; E816-G821 PolarHBondContact O-N 3.24Å; E816-P824 HydrophobicContact CG-CG 3.7Å |
| 817 | V | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.8 | -38.6 | 178.1 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | L707 L711 L723 L727 V813 W815 | L707-V817 HydrophobicContact CD2-CG2 3.76Å; L707-V817 HydrophobicContact CG-CG2 4.43Å; L711-V817 HydrophobicContact CD1-CB 4.36Å; L711-V817 HydrophobicContact CD1-CG2 4.11Å; L723-V817 HydrophobicContact CB-CG1 4.04Å; L723-V817 HydrophobicContact CD2-CG1 3.92Å; L727-V817 HydrophobicContact CD1-CB 4.47Å; L727-V817 HydrophobicContact CD1-CG1 4.35Å; L727-V817 HydrophobicContact CD2-CB 3.81Å; L727-V817 HydrophobicContact CD2-CG1 4.16Å; L727-V817 HydrophobicContact CD2-CG2 3.69Å; L727-V817 HydrophobicContact CG-CB 4.18Å; L727-V817 HydrophobicContact CG-CG1 4Å; L727-V817 HydrophobicContact CG-CG2 4.41Å; V813-V817 HydrophobicContact CG1-CG2 4.3Å; V813-V817 VanDerWaalsContact O-CG2 3.31Å; V813-V817 WeakPolarHBondContact O-CG2 3.05Å; V813-V817 PolarHBondContact O-N 3.4Å; W815-V817 VanDerWaalsContact C-N 3.29Å; W815-V817 PolarHBondContact O-N 2.74Å |
| 818 | M | 94 | Very high | 93.3 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 4% | 0.044 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -80.6 | -17.3 | 179.5 | -66.2 | -57 | -53.5 | 0 | 0 | 113.3 | L723 M814 W815 P846 C849 L853 M857 | L723-M818 HydrophobicContact CB-SD 4.02Å; L723-M818 HydrophobicContact CD1-CE 4.27Å; L723-M818 HydrophobicContact CD1-SD 3.99Å; M814-M818 WeakPolarHBondContact O-CG 3.46Å; M814-M818 PolarHBondContact O-N 3.37Å; W815-M818 CarbonylContact O-C 3.6Å; W815-M818 PolarHBondContact O-N 2.62Å; W815-M818 VanDerWaalsContact O-N 3.08Å; M818-P846 HydrophobicContact CB-CB 4.13Å; M818-P846 HydrophobicContact CB-CG 3.91Å; M818-P846 WeakPolarHBondContact O-CB 3.46Å; M818-C849 HydrophobicContact CE-CB 4.19Å; M818-L853 HydrophobicContact CE-CD1 4.24Å; M818-L853 HydrophobicContact CG-CD1 4.48Å; M818-L853 HydrophobicContact SD-CD1 3.86Å; M818-M857 HydrophobicContact CB-CE 4.1Å; M818-M857 HydrophobicContact CG-CE 3.81Å |
| 819 | S | 92.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 11% | 0.112 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 16 | 171.4 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | W815 E816 G821 E822 | W815-S819 VanDerWaalsContact CE3-OG 3.31Å; W815-S819 VanDerWaalsContact CZ3-OG 3.25Å; W815-S819 WeakPolarHBondContact CZ3-OG 3.26Å; W815-S819 WeakPolarHBondContact O-CB 3.47Å; W815-S819 PolarHBondContact O-N 3.11Å; W815-S819 PolarHBondContact O-OG 3.2Å; E816-S819 PolarHBondContact O-OG 3.27Å; S819-G821 PolarHBondContact O-N 2.92Å; S819-G821 VanDerWaalsContact O-N 3.07Å; S819-E822 PolarHBondContact O-N 3.13Å; S819-E822 VanDerWaalsContact O-N 3.15Å |
| 820 | Y | 92.9 | Very high | 91.7 | Very high | 28 Ų | 28 | 32.4 Ų | 32.4 | 11% | 0.11 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 30.3 | 179.7 | -78.8 | -93.4 | 0 | 0 | 0 | 115.1 | L711 R712 N714 R717 F718 L723 E816 | L711-Y820 CarbonylContact C-O 3.52Å; L711-Y820 HydrophobicContact CB-CD1 4.4Å; L711-Y820 WeakPolarHBondContact CB-O 3.47Å; L711-Y820 HydrophobicContact CD2-CD1 4.01Å; L711-Y820 HydrophobicContact CD2-CE1 4.42Å; R712-Y820 WeakPolarHBondContact CA-O 3.34Å; R712-Y820 WeakPolarHBondContact CG-O 3.32Å; R712-Y820 PolarHBondContact N-O 2.97Å; R712-Y820 VanDerWaalsContact N-O 3.12Å; N714-Y820 VanDerWaalsContact O-CE1 3.26Å; N714-Y820 WeakPolarHBondContact O-CE1 3.42Å; R717-Y820 PolarHBondContact N-OH 3.28Å; F718-Y820 WeakPolarHBondContact CA-OH 3.32Å; F718-Y820 HydrophobicContact CB-CE1 4.43Å; F718-Y820 AromaticContact CD2-CE1 3.71Å; F718-Y820 HydrophobicContact CD2-CE1 3.71Å; F718-Y820 HydrophobicContact CE2-CE1 4.45Å; F718-Y820 HydrophobicContact CG-CE1 4.48Å; F718-Y820 PolarHBondContact N-OH 2.58Å; F718-Y820 PolarHBondContact O-OH 2.91Å; L723-Y820 HydrophobicContact CD1-CE2 4.05Å; E816-Y820 PolarHBondContact O-N 3.11Å |
| 821 | G | 90.9 | Very high | 91 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 24.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R712 E816 S819 | R712-G821 WeakPolarHBondContact CD-O 3.41Å; R712-G821 PolarHBondContact NH1-O 3.18Å; E816-G821 PolarHBondContact O-N 3.24Å; S819-G821 PolarHBondContact O-N 2.92Å; S819-G821 VanDerWaalsContact O-N 3.07Å |
| 822 | E | 89.6 | Confident | 90.3 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 36% | 0.355 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -53.3 | 153.8 | 160.5 | -80 | -165.2 | -178.2 | 0 | 0 | 111.2 | W815 S819 P824 W826 | W815-E822 HydrophobicContact CH2-CB 3.73Å; W815-E822 WeakPolarHBondContact CH2-OE2 3.43Å; W815-E822 HydrophobicContact CZ3-CB 3.81Å; S819-E822 PolarHBondContact O-N 3.13Å; S819-E822 VanDerWaalsContact O-N 3.15Å; E822-P824 WeakPolarHBondContact O-CD 3.22Å; E822-W826 PolarHBondContact OE2-NE1 3.01Å |
| 823 | R | 87.8 | Confident | 89.6 | Confident | 132 Ų | 132 | 43.6 Ų | 43.6 | 50% | 0.498 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -73.5 | 120.6 | 176.8 | 174.7 | 172.4 | 166.1 | 148.7 | -10.5 | 110.7 | R789 Y825 W826 | R789-R823 VanDerWaalsContact NH2-NH2 3.19Å; R823-Y825 PolarHBondContact O-N 3.32Å; R823-W826 WeakPolarHBondContact CD-O 3.35Å; R823-W826 PolarHBondContact NE-O 3.47Å; R823-W826 WeakPolarHBondContact O-CA 3.32Å; R823-W826 PolarHBondContact O-N 2.81Å |
| 824 | P | 92.8 | Very high | 88.9 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 132.4 | 176.8 | -26 | 35.7 | 0 | 0 | 0 | 112 | R789 W790 I812 W815 E816 E822 W826 L843 | R789-P824 HydrophobicContact CB-CB 4.39Å; R789-P824 WeakPolarHBondContact CD-O 3.46Å; R789-P824 PolarHBondContact NH1-O 3.4Å; W790-P824 HydrophobicContact CZ2-CG 4.03Å; I812-P824 HydrophobicContact CG2-CB 3.81Å; I812-P824 HydrophobicContact CG2-CG 3.58Å; W815-P824 HydrophobicContact CE3-CG 4.36Å; W815-P824 HydrophobicContact CZ3-CG 4.42Å; E816-P824 HydrophobicContact CG-CG 3.7Å; E822-P824 WeakPolarHBondContact O-CD 3.22Å; P824-W826 PolarHBondContact O-N 3.37Å; P824-L843 HydrophobicContact CB-CD1 4.2Å |
| 825 | Y | 88.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 22.1 | -172.6 | -52 | -92.6 | 0 | 0 | 0 | 114.5 | R789 I812 R823 D827 M828 V833 I837 Y841 L843 | R789-Y825 HydrophobicContact CB-CD2 4.33Å; R789-Y825 HydrophobicContact CG-CD2 4.43Å; R789-Y825 PolarHBondContact NH1-O 2.83Å; I812-Y825 HydrophobicContact CD1-CE2 4.02Å; R823-Y825 PolarHBondContact O-N 3.32Å; Y825-D827 PolarHBondContact O-N 3.09Å; Y825-M828 HydrophobicContact CD1-SD 4.35Å; Y825-M828 WeakPolarHBondContact O-CB 3.25Å; Y825-M828 WeakPolarHBondContact O-CG 3.42Å; Y825-M828 PolarHBondContact O-N 2.73Å; Y825-V833 HydrophobicContact CD1-CG1 4.39Å; Y825-V833 HydrophobicContact CD1-CG2 4.44Å; Y825-V833 HydrophobicContact CD2-CG1 3.9Å; Y825-V833 HydrophobicContact CD2-CG2 4.41Å; Y825-V833 HydrophobicContact CE2-CG1 4.17Å; Y825-V833 HydrophobicContact CG-CG1 4.03Å; Y825-V833 HydrophobicContact CG-CG2 3.92Å; Y825-I837 HydrophobicContact CE1-CD1 4.41Å; Y825-I837 HydrophobicContact CE1-CG1 4.13Å; Y825-I837 HydrophobicContact CE2-CD1 4.23Å; Y825-I837 WeakPolarHBondContact OH-CG1 3.42Å; Y825-Y841 HydrophobicContact CD1-CD1 4.3Å; Y825-Y841 HydrophobicContact CD1-CE1 4.15Å; Y825-Y841 HydrophobicContact CE1-CD1 4.03Å; Y825-Y841 HydrophobicContact CE1-CE1 4.19Å; Y825-L843 HydrophobicContact CD1-CD2 3.64Å; Y825-L843 HydrophobicContact CD1-CG 4.28Å; Y825-L843 HydrophobicContact CD2-CD1 4.32Å; Y825-L843 HydrophobicContact CD2-CD2 4.17Å; Y825-L843 HydrophobicContact CD2-CG 4.48Å; Y825-L843 HydrophobicContact CE1-CD2 3.85Å; Y825-L843 HydrophobicContact CE1-CG 3.99Å; Y825-L843 HydrophobicContact CE2-CD1 4.05Å; Y825-L843 HydrophobicContact CE2-CD2 4.35Å; Y825-L843 HydrophobicContact CE2-CG 4.19Å; Y825-L843 HydrophobicContact CG-CD2 3.8Å |
| 826 | W | 89.8 | Confident | 87.6 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 42.4 | -125.9 | 174.9 | -46.3 | -71.6 | 0 | 0 | 0 | 112.4 | R789 W815 E822 R823 P824 P844 | R789-W826 PolarHBondContact NH1-O 2.87Å; W815-W826 AromaticContact CH2-NE1 3.92Å; W815-W826 HydrophobicContact CZ2-CZ2 4.18Å; E822-W826 PolarHBondContact OE2-NE1 3.01Å; R823-W826 WeakPolarHBondContact CD-O 3.35Å; R823-W826 PolarHBondContact NE-O 3.47Å; R823-W826 WeakPolarHBondContact O-CA 3.32Å; R823-W826 PolarHBondContact O-N 2.81Å; P824-W826 PolarHBondContact O-N 3.37Å; W826-P844 HydrophobicContact CH2-CG 3.77Å; W826-P844 HydrophobicContact CZ2-CG 4.3Å |
| 827 | D | 82 | Confident | 87.3 | Confident | 137 Ų | 137 | 51.6 Ų | 51.6 | 73% | 0.733 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 2.3 | -170 | -53.7 | -60.8 | 0 | 0 | 0 | 114.6 | Y825 | Y825-D827 PolarHBondContact O-N 3.09Š|
| 828 | M | 80.3 | Confident | 86.8 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 29% | 0.286 | 28% | 0.275 | S | S | . | . | trans | -47.3 | 141.4 | 169 | -64.5 | 177 | 66.1 | 0 | 0 | 110.8 | R789 Y825 D832 V833 A836 | R789-M828 PolarHBondContact NH2-O 3.11Å; Y825-M828 HydrophobicContact CD1-SD 4.35Å; Y825-M828 WeakPolarHBondContact O-CB 3.25Å; Y825-M828 WeakPolarHBondContact O-CG 3.42Å; Y825-M828 PolarHBondContact O-N 2.73Å; M828-D832 HydrophobicContact CB-CB 4.19Å; M828-D832 HydrophobicContact CE-CB 3.9Å; M828-V833 HydrophobicContact CB-CG2 3.88Å; M828-V833 HydrophobicContact CE-CG2 4.46Å; M828-A836 HydrophobicContact CE-CB 3.79Å | ||
| 829 | S | 80.1 | Confident | 86.5 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | trans | -67.9 | 163.5 | 176.8 | 83.4 | 0 | 0 | 0 | 0 | 111.3 | Q831 D832 V833 | S829-Q831 PolarHBondContact O-N 3.33Å; S829-Q831 PolarHBondContact OG-N 3.44Å; S829-D832 WeakPolarHBondContact CA-OD2 3.39Å; S829-D832 WeakPolarHBondContact CB-OD2 3.32Å; S829-D832 PolarHBondContact N-OD2 3.49Å; S829-D832 PolarHBondContact O-N 2.98Å; S829-D832 VanDerWaalsContact OG-CG 3.22Å; S829-D832 PolarHBondContact OG-N 3.34Å; S829-D832 PolarHBondContact OG-OD2 3.11Å; S829-V833 WeakPolarHBondContact O-CG2 3.23Å; S829-V833 PolarHBondContact O-N 3.01Å | ||
| 830 | N | 82.4 | Confident | 86.2 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64 | -20.4 | 175.3 | -73.2 | -4.1 | 0 | 0 | 0 | 112.6 | I788 R789 I834 | I788-N830 HydrophobicContact CB-CB 4.46Å; I788-N830 HydrophobicContact CG1-CB 4.35Å; I788-N830 HydrophobicContact CG2-CB 4.4Å; R789-N830 PolarHBondContact NE-OD1 3.32Å; R789-N830 PolarHBondContact NH2-OD1 3.21Å; N830-I834 WeakPolarHBondContact O-CD1 3.49Å; N830-I834 VanDerWaalsContact O-CG1 3.29Å; N830-I834 WeakPolarHBondContact O-CG1 3.32Å; N830-I834 PolarHBondContact O-N 3.38Å |
| 831 | Q | 84.1 | Confident | 86.1 | Confident | 160 Ų | 160 | 67.7 Ų | 67.7 | 75% | 0.748 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -77.5 | -43.9 | 173.4 | -68.7 | 178.3 | -16.7 | 0 | 0 | 110.9 | S829 V833 I834 K835 | S829-Q831 PolarHBondContact O-N 3.33Å; S829-Q831 PolarHBondContact OG-N 3.44Å; Q831-V833 VanDerWaalsContact C-N 3.29Å; Q831-V833 PolarHBondContact O-N 3.32Å; Q831-I834 PolarHBondContact O-N 3.36Å; Q831-K835 PolarHBondContact O-N 2.93Å |
| 832 | D | 83 | Confident | 86.2 | Confident | 76 Ų | 76 | 69.8 Ų | 69.8 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 176.6 | -53.8 | -53.5 | 0 | 0 | 0 | 111.8 | M828 S829 K835 A836 | M828-D832 HydrophobicContact CB-CB 4.19Å; M828-D832 HydrophobicContact CE-CB 3.9Å; S829-D832 WeakPolarHBondContact CA-OD2 3.39Å; S829-D832 WeakPolarHBondContact CB-OD2 3.32Å; S829-D832 PolarHBondContact N-OD2 3.49Å; S829-D832 PolarHBondContact O-N 2.98Å; S829-D832 VanDerWaalsContact OG-CG 3.22Å; S829-D832 PolarHBondContact OG-N 3.34Å; S829-D832 PolarHBondContact OG-OD2 3.11Å; D832-K835 PolarHBondContact O-N 3.06Å; D832-A836 WeakPolarHBondContact O-CB 3.07Å; D832-A836 PolarHBondContact O-N 2.94Å |
| 833 | V | 82.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | I788 R789 Y825 M828 S829 Q831 I837 | I788-V833 HydrophobicContact CG2-CG1 4.31Å; R789-V833 HydrophobicContact CG-CG1 4.32Å; R789-V833 HydrophobicContact CG-CG2 4.49Å; Y825-V833 HydrophobicContact CD1-CG1 4.39Å; Y825-V833 HydrophobicContact CD1-CG2 4.44Å; Y825-V833 HydrophobicContact CD2-CG1 3.9Å; Y825-V833 HydrophobicContact CD2-CG2 4.41Å; Y825-V833 HydrophobicContact CE2-CG1 4.17Å; Y825-V833 HydrophobicContact CG-CG1 4.03Å; Y825-V833 HydrophobicContact CG-CG2 3.92Å; M828-V833 HydrophobicContact CB-CG2 3.88Å; M828-V833 HydrophobicContact CE-CG2 4.46Å; S829-V833 WeakPolarHBondContact O-CG2 3.23Å; S829-V833 PolarHBondContact O-N 3.01Å; Q831-V833 VanDerWaalsContact C-N 3.29Å; Q831-V833 PolarHBondContact O-N 3.32Å; V833-I837 HydrophobicContact CG1-CD1 3.7Å; V833-I837 WeakPolarHBondContact O-CB 3.32Å; V833-I837 WeakPolarHBondContact O-CD1 3.49Å; V833-I837 WeakPolarHBondContact O-CG1 3.35Å; V833-I837 PolarHBondContact O-N 3.24Å |
| 834 | I | 83.9 | Confident | 86.2 | Confident | 45 Ų | 45 | 62.5 Ų | 62.5 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.9 | -53.1 | 176 | -67.7 | 165.9 | 0 | 0 | 0 | 109.7 | I788 I796 N830 Q831 A836 I837 E838 | I788-I834 HydrophobicContact CD1-CD1 4.37Å; I788-I834 HydrophobicContact CG2-CD1 4.08Å; I788-I834 HydrophobicContact CG2-CG1 3.71Å; I796-I834 HydrophobicContact CD1-CG1 4.36Å; I796-I834 HydrophobicContact CG2-CD1 4.06Å; I796-I834 HydrophobicContact CG2-CG1 4.16Å; N830-I834 WeakPolarHBondContact O-CD1 3.49Å; N830-I834 VanDerWaalsContact O-CG1 3.29Å; N830-I834 WeakPolarHBondContact O-CG1 3.32Å; N830-I834 PolarHBondContact O-N 3.38Å; Q831-I834 PolarHBondContact O-N 3.36Å; I834-A836 PolarHBondContact O-N 3.45Å; I834-I837 PolarHBondContact O-N 2.97Å; I834-E838 WeakPolarHBondContact O-CG 3.3Å; I834-E838 PolarHBondContact O-N 3.28Å |
| 835 | K | 84.7 | Confident | 85.8 | Confident | 119 Ų | 119 | 65.8 Ų | 65.8 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54.9 | -51.2 | 179.8 | -179.5 | -176.4 | 170.9 | -174.1 | 0 | 111.8 | Q831 D832 I837 E838 E839 | Q831-K835 PolarHBondContact O-N 2.93Å; D832-K835 PolarHBondContact O-N 3.06Å; K835-I837 VanDerWaalsContact C-N 3.34Å; K835-I837 PolarHBondContact O-N 3.29Å; K835-E838 PolarHBondContact O-N 3.02Å; K835-E838 VanDerWaalsContact O-N 3.17Å; K835-E839 WeakPolarHBondContact CE-OE1 3.38Å; K835-E839 HydrophobicContact CG-CG 4.42Å; K835-E839 IonicContact NZ-OE1 2.64Å; K835-E839 WeakPolarHBondContact O-CB 3.49Å; K835-E839 WeakPolarHBondContact O-CG 3.48Å; K835-E839 PolarHBondContact O-N 3.48Å |
| 836 | A | 84.3 | Confident | 85.7 | Confident | 12 Ų | 12 | 66.5 Ų | 66.5 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | M828 D832 I834 E838 E839 G840 Y841 | M828-A836 HydrophobicContact CE-CB 3.79Å; D832-A836 WeakPolarHBondContact O-CB 3.07Å; D832-A836 PolarHBondContact O-N 2.94Å; I834-A836 PolarHBondContact O-N 3.45Å; A836-E838 VanDerWaalsContact C-N 3.34Å; A836-E838 PolarHBondContact O-N 2.93Å; A836-E839 PolarHBondContact O-N 3.18Å; A836-G840 PolarHBondContact O-N 3.42Å; A836-G840 VanDerWaalsContact O-N 3.1Å; A836-Y841 HydrophobicContact CB-CD1 4.33Å; A836-Y841 HydrophobicContact CB-CG 4.36Å; A836-Y841 VanDerWaalsContact O-CB 3.23Å; A836-Y841 WeakPolarHBondContact O-CB 3.43Å; A836-Y841 PolarHBondContact O-N 2.88Å |
| 837 | I | 89.7 | Confident | 84.8 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.015 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 175.8 | -75.3 | 168.8 | 0 | 0 | 0 | 111.6 | P793 W808 Y825 V833 I834 K835 G840 R842 | P793-I837 HydrophobicContact CG-CG2 3.76Å; W808-I837 HydrophobicContact CH2-CG2 3.82Å; W808-I837 HydrophobicContact CZ2-CD1 4.26Å; W808-I837 HydrophobicContact CZ2-CG1 4.38Å; W808-I837 HydrophobicContact CZ2-CG2 3.81Å; Y825-I837 HydrophobicContact CE1-CD1 4.41Å; Y825-I837 HydrophobicContact CE1-CG1 4.13Å; Y825-I837 HydrophobicContact CE2-CD1 4.23Å; Y825-I837 WeakPolarHBondContact OH-CG1 3.42Å; V833-I837 HydrophobicContact CG1-CD1 3.7Å; V833-I837 WeakPolarHBondContact O-CB 3.32Å; V833-I837 WeakPolarHBondContact O-CD1 3.49Å; V833-I837 WeakPolarHBondContact O-CG1 3.35Å; V833-I837 PolarHBondContact O-N 3.24Å; I834-I837 PolarHBondContact O-N 2.97Å; K835-I837 VanDerWaalsContact C-N 3.34Å; K835-I837 PolarHBondContact O-N 3.29Å; I837-G840 PolarHBondContact O-N 3.41Å; I837-R842 PolarHBondContact O-NH1 3.46Å |
| 838 | E | 86.7 | Confident | 84.4 | Confident | 108 Ų | 108 | 62.7 Ų | 62.7 | 51% | 0.505 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 177.6 | -72.6 | -178.5 | 165.1 | 0 | 0 | 112.7 | I834 K835 A836 G840 K863 | I834-E838 WeakPolarHBondContact O-CG 3.3Å; I834-E838 PolarHBondContact O-N 3.28Å; K835-E838 PolarHBondContact O-N 3.02Å; K835-E838 VanDerWaalsContact O-N 3.17Å; A836-E838 VanDerWaalsContact C-N 3.34Å; A836-E838 PolarHBondContact O-N 2.93Å; E838-G840 PolarHBondContact O-N 2.77Å; E838-K863 PolarHBondContact O-NZ 3.13Å; E838-K863 VanDerWaalsContact O-NZ 3.14Å |
| 839 | E | 88.4 | Confident | 84.7 | Confident | 143 Ų | 143 | 60.6 Ų | 60.6 | 67% | 0.668 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -8.9 | 172.4 | -70.9 | 174.8 | 161.7 | 0 | 0 | 113.1 | K835 A836 | K835-E839 WeakPolarHBondContact CE-OE1 3.38Å; K835-E839 HydrophobicContact CG-CG 4.42Å; K835-E839 IonicContact NZ-OE1 2.64Å; K835-E839 WeakPolarHBondContact O-CB 3.49Å; K835-E839 WeakPolarHBondContact O-CG 3.48Å; K835-E839 PolarHBondContact O-N 3.48Å; A836-E839 PolarHBondContact O-N 3.18Å |
| 840 | G | 86.4 | Confident | 85.1 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 44% | 0.443 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | 2.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A836 I837 E838 | A836-G840 PolarHBondContact O-N 3.42Å; A836-G840 VanDerWaalsContact O-N 3.1Å; I837-G840 PolarHBondContact O-N 3.41Å; E838-G840 PolarHBondContact O-N 2.77Å |
| 841 | Y | 90.3 | Very high | 85.4 | Confident | 97 Ų | 97 | 59.9 Ų | 59.9 | 38% | 0.38 | 31% | 0.309 | S | S | . | . | trans | -60.3 | 141.1 | 174.4 | -176.7 | -94.6 | 0 | 0 | 0 | 111.5 | Y825 A836 | Y825-Y841 HydrophobicContact CD1-CD1 4.3Å; Y825-Y841 HydrophobicContact CD1-CE1 4.15Å; Y825-Y841 HydrophobicContact CE1-CD1 4.03Å; Y825-Y841 HydrophobicContact CE1-CE1 4.19Å; A836-Y841 HydrophobicContact CB-CD1 4.33Å; A836-Y841 HydrophobicContact CB-CG 4.36Å; A836-Y841 VanDerWaalsContact O-CB 3.23Å; A836-Y841 WeakPolarHBondContact O-CB 3.43Å; A836-Y841 PolarHBondContact O-N 2.88Å | ||
| 842 | R | 92.6 | Very high | 85.6 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 17% | 0.17 | 29% | 0.29 | C | S | . | . | trans | -138.2 | 152.1 | 178.1 | -62.3 | -61.2 | -179 | -94.2 | 1.6 | 109.3 | I837 L858 W861 | I837-R842 PolarHBondContact O-NH1 3.46Å; R842-L858 HydrophobicContact CB-CD2 4.03Å; R842-L858 HydrophobicContact CG-CD2 4.43Å; R842-W861 HydrophobicContact CB-CE3 4.1Å; R842-W861 PolarHBondContact NE-O 3.03Å; R842-W861 PolarHBondContact NH2-O 2.98Å; R842-W861 VanDerWaalsContact NH2-O 3.14Å | ||
| 843 | L | 90.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 134.5 | -175.6 | -65.3 | 170 | 0 | 0 | 0 | 111.2 | I812 W815 P824 Y825 H854 W861 | I812-L843 HydrophobicContact CD1-CD1 3.91Å; W815-L843 HydrophobicContact CB-CD1 4.44Å; W815-L843 HydrophobicContact CD2-CB 4.49Å; W815-L843 HydrophobicContact CD2-CD1 3.83Å; W815-L843 HydrophobicContact CE3-CD1 4.22Å; W815-L843 HydrophobicContact CG-CB 4.26Å; W815-L843 HydrophobicContact CG-CD1 3.91Å; P824-L843 HydrophobicContact CB-CD1 4.2Å; Y825-L843 HydrophobicContact CD1-CD2 3.64Å; Y825-L843 HydrophobicContact CD1-CG 4.28Å; Y825-L843 HydrophobicContact CD2-CD1 4.32Å; Y825-L843 HydrophobicContact CD2-CD2 4.17Å; Y825-L843 HydrophobicContact CD2-CG 4.48Å; Y825-L843 HydrophobicContact CE1-CD2 3.85Å; Y825-L843 HydrophobicContact CE1-CG 3.99Å; Y825-L843 HydrophobicContact CE2-CD1 4.05Å; Y825-L843 HydrophobicContact CE2-CD2 4.35Å; Y825-L843 HydrophobicContact CE2-CG 4.19Å; Y825-L843 HydrophobicContact CG-CD2 3.8Å; L843-H854 PolarHBondContact O-NE2 3.25Å; L843-W861 HydrophobicContact CB-CH2 3.8Å; L843-W861 HydrophobicContact CB-CZ3 4.1Å; L843-W861 HydrophobicContact CD1-CH2 4.31Å; L843-W861 HydrophobicContact CD1-CZ2 4.36Å; L843-W861 HydrophobicContact CG-CH2 4.48Å |
| 844 | P | 87.7 | Confident | 86.7 | Confident | 54 Ų | 54 | 52 Ų | 52 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 159.8 | 177.1 | 28.9 | -34.7 | 0 | 0 | 0 | 111.1 | W815 W826 P846 | W815-P844 PolarHBondContact NE1-O 2.75Å; W826-P844 HydrophobicContact CH2-CG 3.77Å; W826-P844 HydrophobicContact CZ2-CG 4.3Å; P844-P846 WeakPolarHBondContact O-CD 3.48Å |
| 845 | P | 83.8 | Confident | 87.2 | Confident | 72 Ų | 72 | 54.3 Ų | 54.3 | 47% | 0.468 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 129.6 | 176.9 | 24.3 | -32.4 | 0 | 0 | 0 | 110.4 | C849 H854 | P845-C849 HydrophobicContact CB-CB 4.49Å; P845-H854 HydrophobicContact CB-CB 3.96Å |
| 846 | P | 86.3 | Confident | 87.7 | Confident | 15 Ų | 15 | 48.9 Ų | 48.9 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 160.2 | 170 | -27.8 | 37.3 | 0 | 0 | 0 | 112.4 | W815 M818 P844 D848 C849 | W815-P846 HydrophobicContact CD2-CG 4.35Å; W815-P846 HydrophobicContact CG-CG 4.11Å; M818-P846 HydrophobicContact CB-CB 4.13Å; M818-P846 HydrophobicContact CB-CG 3.91Å; M818-P846 WeakPolarHBondContact O-CB 3.46Å; P844-P846 WeakPolarHBondContact O-CD 3.48Å; P846-D848 PolarHBondContact O-N 3.37Å; P846-C849 HydrophobicContact CB-CB 4.26Å; P846-C849 WeakPolarHBondContact O-CB 3.11Å; P846-C849 PolarHBondContact O-N 2.92Å; P846-C849 VanDerWaalsContact O-N 3.1Å |
| 847 | M | 71.8 | Confident | 88.4 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 28% | 0.276 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 131.8 | 178.2 | -85.1 | -76.6 | -63.1 | 0 | 0 | 111.6 | C849 M925 H961 K964 | M847-C849 PolarHBondContact O-N 2.03Å; M847-M925 HydrophobicContact SD-CE 4.27Å; M847-H961 WeakPolarHBondContact CG-NE2 3.23Å; M847-K964 HydrophobicContact CE-CD 3.61Å; M847-K964 HydrophobicContact SD-CD 4.06Å |
| 848 | D | 73.6 | Confident | 88.7 | Confident | 80 Ų | 80 | 50.6 Ų | 50.6 | 43% | 0.428 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 18.5 | -179 | -52.8 | -32 | 0 | 0 | 0 | 115.6 | P846 R890 | P846-D848 PolarHBondContact O-N 3.37Å; D848-R890 IonicContact OD1-CZ 2.59Å; D848-R890 IonicContact OD1-NH1 2.67Å; D848-R890 PolarHBondContact OD1-NH1 3.46Å; D848-R890 IonicContact OD1-NH2 3.98Å; D848-R890 PolarHBondContact OD1-NH2 2.89Å |
| 849 | C | 85.1 | Confident | 89.2 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 10% | 0.095 | 26% | 0.259 | C | S | . | . | trans | -63.9 | 127.9 | 170.7 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | M818 P845 P846 M847 | M818-C849 HydrophobicContact CE-CB 4.19Å; P845-C849 HydrophobicContact CB-CB 4.49Å; P846-C849 HydrophobicContact CB-CB 4.26Å; P846-C849 WeakPolarHBondContact O-CB 3.11Å; P846-C849 PolarHBondContact O-N 2.92Å; P846-C849 VanDerWaalsContact O-N 3.1Å; M847-C849 PolarHBondContact O-N 2.03Å | ||
| 850 | P | 89.4 | Confident | 89.7 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | trans | -58.8 | 137.8 | 171.6 | -22.9 | 31 | 0 | 0 | 0 | 112.6 | V720 A852 L853 H854 L888 | V720-P850 HydrophobicContact CG1-CG 3.55Å; P850-A852 PolarHBondContact O-N 3.03Å; P850-A852 VanDerWaalsContact O-N 3.17Å; P850-L853 HydrophobicContact CB-CD1 4.46Å; P850-L853 HydrophobicContact CB-CG 4.35Å; P850-L853 HydrophobicContact CG-CD1 4.02Å; P850-L853 HydrophobicContact CG-CG 4.44Å; P850-L853 PolarHBondContact O-N 3.34Å; P850-H854 PolarHBondContact O-N 3.17Å; P850-L888 HydrophobicContact CB-CD2 4.16Å; P850-L888 HydrophobicContact CG-CB 4.26Å; P850-L888 HydrophobicContact CG-CD2 3.93Å | ||
| 851 | I | 87.4 | Confident | 90.2 | Very high | 110 Ų | 110 | 38.9 Ų | 38.9 | 56% | 0.564 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -54.9 | -39.6 | -179.5 | -57.7 | 172.6 | 0 | 0 | 0 | 111.2 | L853 H854 Q855 | I851-L853 VanDerWaalsContact C-N 3.29Å; I851-L853 PolarHBondContact O-N 3.08Å; I851-H854 PolarHBondContact O-N 3.18Å; I851-Q855 WeakPolarHBondContact O-CB 3.45Å; I851-Q855 PolarHBondContact O-N 3.44Å |
| 852 | A | 89.4 | Confident | 90.5 | Very high | 43 Ų | 43 | 38 Ų | 38 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.3 | -25.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | P850 L856 L881 | P850-A852 PolarHBondContact O-N 3.03Å; P850-A852 VanDerWaalsContact O-N 3.17Å; A852-L856 PolarHBondContact O-N 3.45Å; A852-L881 HydrophobicContact CB-CD1 4.45Å; A852-L881 HydrophobicContact CB-CD2 3.93Å |
| 853 | L | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -82.3 | -41.5 | 174.2 | -66.9 | 179.8 | 0 | 0 | 0 | 111.4 | V724 M814 M818 P850 I851 L856 M857 L878 L881 L888 | V724-L853 HydrophobicContact CG2-CD1 3.53Å; V724-L853 HydrophobicContact CG2-CD2 4.1Å; V724-L853 HydrophobicContact CG2-CG 4.37Å; M814-L853 HydrophobicContact CE-CB 4.42Å; M814-L853 HydrophobicContact CE-CD2 4.22Å; M814-L853 WeakPolarHBondContact CE-O 3.34Å; M818-L853 HydrophobicContact CE-CD1 4.24Å; M818-L853 HydrophobicContact CG-CD1 4.48Å; M818-L853 HydrophobicContact SD-CD1 3.86Å; P850-L853 HydrophobicContact CB-CD1 4.46Å; P850-L853 HydrophobicContact CB-CG 4.35Å; P850-L853 HydrophobicContact CG-CD1 4.02Å; P850-L853 HydrophobicContact CG-CG 4.44Å; P850-L853 PolarHBondContact O-N 3.34Å; I851-L853 VanDerWaalsContact C-N 3.29Å; I851-L853 PolarHBondContact O-N 3.08Å; L853-L856 PolarHBondContact O-N 3.06Å; L853-M857 HydrophobicContact CB-CE 4.45Å; L853-M857 WeakPolarHBondContact O-CG 3.42Å; L853-M857 PolarHBondContact O-N 3.23Å; L853-L878 HydrophobicContact CD2-CD2 3.84Å; L853-L881 HydrophobicContact CD2-CD1 3.45Å; L853-L881 VanDerWaalsContact CD2-CD1 3.45Å; L853-L881 HydrophobicContact CG-CD1 4.23Å; L853-L888 HydrophobicContact CD1-CD2 4.3Å; L853-L888 HydrophobicContact CG-CD2 4.36Å |
| 854 | H | 94.4 | Very high | 90.4 | Very high | 28 Ų | 28 | 46.7 Ų | 46.7 | 13% | 0.13 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 176.2 | -175.2 | -114.4 | 0 | 0 | 0 | 112.3 | L843 P845 P850 I851 L856 M857 L858 | L843-H854 PolarHBondContact O-NE2 3.25Å; P845-H854 HydrophobicContact CB-CB 3.96Å; P850-H854 PolarHBondContact O-N 3.17Å; I851-H854 PolarHBondContact O-N 3.18Å; H854-L856 VanDerWaalsContact C-N 3.3Å; H854-L856 PolarHBondContact O-N 2.86Å; H854-M857 WeakPolarHBondContact O-CB 3.23Å; H854-M857 PolarHBondContact O-N 2.79Å; H854-M857 VanDerWaalsContact O-N 3.08Å; H854-L858 WeakPolarHBondContact O-CG 3.46Å; H854-L858 PolarHBondContact O-N 3.18Å |
| 855 | Q | 94.5 | Very high | 90.5 | Very high | 94 Ų | 94 | 51 Ų | 51 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.5 | -44.5 | 170.9 | -175.3 | 60.3 | 57.9 | 0 | 0 | 111.3 | I851 M857 L858 D859 | I851-Q855 WeakPolarHBondContact O-CB 3.45Å; I851-Q855 PolarHBondContact O-N 3.44Å; Q855-M857 VanDerWaalsContact C-N 3.29Å; Q855-M857 PolarHBondContact O-N 2.87Å; Q855-L858 WeakPolarHBondContact O-CB 3.43Å; Q855-L858 PolarHBondContact O-N 3.44Å; Q855-L858 VanDerWaalsContact O-N 3.11Å; Q855-D859 PolarHBondContact NE2-OD1 3.12Å; Q855-D859 PolarHBondContact O-N 2.95Å |
| 856 | L | 96.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.3 | -29.6 | 176.7 | -178.1 | 54.9 | 0 | 0 | 0 | 112.8 | M814 A852 L853 H854 C860 P869 I874 M877 L878 | M814-L856 HydrophobicContact CE-CB 4.03Å; M814-L856 HydrophobicContact CE-CD2 3.96Å; M814-L856 HydrophobicContact CE-CG 3.91Å; M814-L856 HydrophobicContact SD-CD2 4.31Å; M814-L856 HydrophobicContact SD-CG 4.03Å; A852-L856 PolarHBondContact O-N 3.45Å; L853-L856 PolarHBondContact O-N 3.06Å; H854-L856 VanDerWaalsContact C-N 3.3Å; H854-L856 PolarHBondContact O-N 2.86Å; L856-C860 PolarHBondContact O-N 3.01Å; L856-C860 VanDerWaalsContact O-N 3.08Å; L856-C860 PolarHBondContact O-SG 3.11Å; L856-P869 HydrophobicContact CD1-CG 4.22Å; L856-I874 HydrophobicContact CD1-CG1 4.4Å; L856-I874 HydrophobicContact CD2-CG2 4.36Å; L856-M877 HydrophobicContact CD1-SD 3.59Å; L856-M877 VanDerWaalsContact CD1-SD 3.59Å; L856-M877 HydrophobicContact CD2-CB 4.18Å; L856-M877 HydrophobicContact CD2-SD 4.42Å; L856-L878 HydrophobicContact CD2-CD2 4.2Å; L856-L878 HydrophobicContact CD2-CG 4.33Å |
| 857 | M | 97.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 169 | -60.2 | 168.3 | -160.5 | 0 | 0 | 111.3 | M814 W815 M818 L853 H854 Q855 D859 C860 W861 | M814-M857 HydrophobicContact CB-CE 4.09Å; M814-M857 HydrophobicContact CB-CG 3.76Å; M814-M857 HydrophobicContact CB-SD 4.49Å; M814-M857 HydrophobicContact CE-CE 4.49Å; M814-M857 HydrophobicContact CE-CG 4.03Å; M814-M857 WeakPolarHBondContact O-CE 3.28Å; M814-M857 HydrophobicContact SD-CG 4.38Å; W815-M857 HydrophobicContact CB-SD 4.14Å; M818-M857 HydrophobicContact CB-CE 4.1Å; M818-M857 HydrophobicContact CG-CE 3.81Å; L853-M857 HydrophobicContact CB-CE 4.45Å; L853-M857 WeakPolarHBondContact O-CG 3.42Å; L853-M857 PolarHBondContact O-N 3.23Å; H854-M857 WeakPolarHBondContact O-CB 3.23Å; H854-M857 PolarHBondContact O-N 2.79Å; H854-M857 VanDerWaalsContact O-N 3.08Å; Q855-M857 VanDerWaalsContact C-N 3.29Å; Q855-M857 PolarHBondContact O-N 2.87Å; M857-D859 VanDerWaalsContact C-N 3.32Å; M857-D859 PolarHBondContact O-N 2.84Å; M857-C860 CarbonylContact O-C 3.57Å; M857-C860 WeakPolarHBondContact O-CA 3.39Å; M857-C860 WeakPolarHBondContact O-CB 3.22Å; M857-C860 PolarHBondContact O-N 2.76Å; M857-C860 VanDerWaalsContact O-N 3.09Å; M857-W861 HydrophobicContact CB-CD2 4.46Å; M857-W861 HydrophobicContact CB-CE3 4.12Å; M857-W861 HydrophobicContact CB-CH2 3.69Å; M857-W861 HydrophobicContact CB-CZ2 4.06Å; M857-W861 HydrophobicContact CB-CZ3 3.72Å; M857-W861 HydrophobicContact CG-CH2 4.32Å; M857-W861 VanDerWaalsContact O-CD2 3.23Å; M857-W861 VanDerWaalsContact O-CG 3.31Å; M857-W861 PolarHBondContact O-N 2.82Å; M857-W861 HydrophobicContact SD-CH2 4.21Å |
| 858 | L | 96.9 | Very high | 92.3 | Very high | 51 Ų | 51 | 54.1 Ų | 54.1 | 27% | 0.267 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 176.5 | -64.8 | 173.7 | 0 | 0 | 0 | 111.9 | R842 H854 Q855 C860 W861 Q862 | R842-L858 HydrophobicContact CB-CD2 4.03Å; R842-L858 HydrophobicContact CG-CD2 4.43Å; H854-L858 WeakPolarHBondContact O-CG 3.46Å; H854-L858 PolarHBondContact O-N 3.18Å; Q855-L858 WeakPolarHBondContact O-CB 3.43Å; Q855-L858 PolarHBondContact O-N 3.44Å; Q855-L858 VanDerWaalsContact O-N 3.11Å; L858-C860 VanDerWaalsContact C-N 3.29Å; L858-C860 PolarHBondContact O-N 2.82Å; L858-W861 HydrophobicContact CD2-CE3 4.21Å; L858-W861 HydrophobicContact CD2-CZ3 4.47Å; L858-W861 CarbonylContact O-C 3.57Å; L858-W861 PolarHBondContact O-N 2.66Å; L858-Q862 PolarHBondContact O-N 2.95Å |
| 859 | D | 97.6 | Very high | 93.5 | Very high | 45 Ų | 45 | 51 Ų | 51 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -35.7 | 174.7 | -60.2 | -16.5 | 0 | 0 | 0 | 111.4 | Q855 M857 W861 Q862 R868 P869 | Q855-D859 PolarHBondContact NE2-OD1 3.12Å; Q855-D859 PolarHBondContact O-N 2.95Å; M857-D859 VanDerWaalsContact C-N 3.32Å; M857-D859 PolarHBondContact O-N 2.84Å; D859-W861 VanDerWaalsContact C-N 3.33Å; D859-Q862 WeakPolarHBondContact O-CG 3.26Å; D859-R868 WeakPolarHBondContact O-CA 3.41Å; D859-P869 HydrophobicContact CB-CG 4.25Å; D859-P869 WeakPolarHBondContact O-CD 3.42Å |
| 860 | C | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.8 | -23.9 | 172.4 | -65.9 | 0 | 0 | 0 | 0 | 113.4 | V807 W808 L856 M857 L858 R868 | V807-C860 HydrophobicContact CG1-CB 3.94Å; W808-C860 WeakPolarHBondContact CA-O 3.38Å; L856-C860 PolarHBondContact O-N 3.01Å; L856-C860 VanDerWaalsContact O-N 3.08Å; L856-C860 PolarHBondContact O-SG 3.11Å; M857-C860 CarbonylContact O-C 3.57Å; M857-C860 WeakPolarHBondContact O-CA 3.39Å; M857-C860 WeakPolarHBondContact O-CB 3.22Å; M857-C860 PolarHBondContact O-N 2.76Å; M857-C860 VanDerWaalsContact O-N 3.09Å; L858-C860 VanDerWaalsContact C-N 3.29Å; L858-C860 PolarHBondContact O-N 2.82Å; C860-R868 WeakPolarHBondContact O-CD 3.29Å |
| 861 | W | 97.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 22 | -179.3 | -54.9 | -40.9 | 0 | 0 | 0 | 114.8 | W808 G811 I812 W815 R842 L843 M857 L858 D859 | W808-W861 AromaticContact CD2-CD1 3.86Å; W808-W861 HydrophobicContact CE3-CB 4.12Å; W808-W861 HydrophobicContact CH2-CB 4.26Å; W808-W861 HydrophobicContact CZ3-CB 3.99Å; W808-W861 WeakPolarHBondContact CZ3-O 3.46Å; W808-W861 PolarHBondContact O-NE1 3.47Å; G811-W861 WeakPolarHBondContact O-CZ2 3.42Å; I812-W861 HydrophobicContact CD1-CZ2 3.77Å; I812-W861 HydrophobicContact CG1-CZ2 4.5Å; W815-W861 HydrophobicContact CB-CH2 4.08Å; W815-W861 HydrophobicContact CB-CZ2 4.09Å; W815-W861 HydrophobicContact CG-CH2 4.34Å; R842-W861 HydrophobicContact CB-CE3 4.1Å; R842-W861 PolarHBondContact NE-O 3.03Å; R842-W861 PolarHBondContact NH2-O 2.98Å; R842-W861 VanDerWaalsContact NH2-O 3.14Å; L843-W861 HydrophobicContact CB-CH2 3.8Å; L843-W861 HydrophobicContact CB-CZ3 4.1Å; L843-W861 HydrophobicContact CD1-CH2 4.31Å; L843-W861 HydrophobicContact CD1-CZ2 4.36Å; L843-W861 HydrophobicContact CG-CH2 4.48Å; M857-W861 HydrophobicContact CB-CD2 4.46Å; M857-W861 HydrophobicContact CB-CE3 4.12Å; M857-W861 HydrophobicContact CB-CH2 3.69Å; M857-W861 HydrophobicContact CB-CZ2 4.06Å; M857-W861 HydrophobicContact CB-CZ3 3.72Å; M857-W861 HydrophobicContact CG-CH2 4.32Å; M857-W861 VanDerWaalsContact O-CD2 3.23Å; M857-W861 VanDerWaalsContact O-CG 3.31Å; M857-W861 PolarHBondContact O-N 2.82Å; M857-W861 HydrophobicContact SD-CH2 4.21Å; L858-W861 HydrophobicContact CD2-CE3 4.21Å; L858-W861 HydrophobicContact CD2-CZ3 4.47Å; L858-W861 CarbonylContact O-C 3.57Å; L858-W861 PolarHBondContact O-N 2.66Å; D859-W861 VanDerWaalsContact C-N 3.33Å |
| 862 | Q | 96.8 | Very high | 94.6 | Very high | 79 Ų | 79 | 53.8 Ų | 53.8 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | trans | -58.2 | 139.6 | 169.5 | -66.3 | -61.3 | -14.1 | 0 | 0 | 110.7 | L858 D859 D867 R868 | L858-Q862 PolarHBondContact O-N 2.95Å; D859-Q862 WeakPolarHBondContact O-CG 3.26Å; Q862-D867 HydrophobicContact CB-CB 4.11Å; Q862-D867 HydrophobicContact CG-CB 4.34Å; Q862-R868 HydrophobicContact CB-CG 4Å; Q862-R868 PolarHBondContact O-NE 3.03Å; Q862-R868 PolarHBondContact O-NH2 3.03Å | ||
| 863 | K | 89.9 | Confident | 95 | Very high | 114 Ų | 114 | 56.5 Ų | 56.5 | 50% | 0.496 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -61.8 | -51.1 | -176.4 | -170 | 165.2 | -176.1 | 163.2 | 0 | 109.9 | E838 R868 | E838-K863 PolarHBondContact O-NZ 3.13Å; E838-K863 VanDerWaalsContact O-NZ 3.14Å; K863-R868 PolarHBondContact O-NH2 3.05Å |
| 864 | E | 89.6 | Confident | 95.2 | Very high | 114 Ų | 114 | 56.5 Ų | 56.5 | 53% | 0.533 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -75.7 | 131.5 | 175.9 | -63.7 | -48.9 | 130.5 | 0 | 0 | 112.8 | S866 D867 | E864-S866 PolarHBondContact O-N 3.24Å; E864-D867 PolarHBondContact O-N 3Å |
| 865 | R | 90.4 | Very high | 95.3 | Very high | 144 Ų | 144 | 55.5 Ų | 55.5 | 54% | 0.543 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -18.7 | -176.9 | 68.9 | 176.2 | -172.7 | 157.5 | 5.1 | 114.2 | A804 D867 | A804-R865 HydrophobicContact CB-CB 4.04Å; A804-R865 WeakPolarHBondContact CB-O 3.3Å; R865-D867 VanDerWaalsContact C-N 3.33Å |
| 866 | S | 89.5 | Confident | 95.4 | Very high | 94 Ų | 94 | 55.8 Ų | 55.8 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -27.1 | 178 | 41.2 | 0 | 0 | 0 | 0 | 113 | E864 | E864-S866 PolarHBondContact O-N 3.24Š|
| 867 | D | 94.4 | Very high | 95.3 | Very high | 104 Ų | 104 | 59 Ų | 59 | 56% | 0.556 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -11.6 | -164.6 | -55.9 | 3.9 | 0 | 0 | 0 | 111 | Q862 E864 R865 | Q862-D867 HydrophobicContact CB-CB 4.11Å; Q862-D867 HydrophobicContact CG-CB 4.34Å; E864-D867 PolarHBondContact O-N 3Å; R865-D867 VanDerWaalsContact C-N 3.33Å |
| 868 | R | 96.8 | Very high | 95.2 | Very high | 12 Ų | 12 | 59 Ų | 59 | 5% | 0.045 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -72.8 | 137.9 | 173.9 | -57.4 | 176.9 | -163.1 | 153.7 | 9.9 | 110.7 | E794 A804 V807 D859 C860 Q862 K863 | E794-R868 IonicContact OE1-CZ 2.69Å; E794-R868 IonicContact OE1-NH1 3.61Å; E794-R868 PolarHBondContact OE1-NH1 2.85Å; E794-R868 IonicContact OE1-NH2 2.69Å; E794-R868 IonicContact OE2-CZ 3.37Å; E794-R868 IonicContact OE2-NH1 2.69Å; E794-R868 PolarHBondContact OE2-NH1 2.89Å; E794-R868 IonicContact OE2-NH2 2.89Å; E794-R868 PolarHBondContact OE2-NH2 3.5Å; A804-R868 WeakPolarHBondContact O-CD 3.44Å; A804-R868 PolarHBondContact O-NH1 2.59Å; V807-R868 HydrophobicContact CG1-CB 3.92Å; D859-R868 WeakPolarHBondContact O-CA 3.41Å; C860-R868 WeakPolarHBondContact O-CD 3.29Å; Q862-R868 HydrophobicContact CB-CG 4Å; Q862-R868 PolarHBondContact O-NE 3.03Å; Q862-R868 PolarHBondContact O-NH2 3.03Å; K863-R868 PolarHBondContact O-NH2 3.05Å |
| 869 | P | 97.2 | Very high | 95 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 137.8 | -179.9 | 28.3 | -34.2 | 0 | 0 | 0 | 111.7 | V807 L856 D859 Q873 I874 | V807-P869 WeakPolarHBondContact CG1-O 3.33Å; V807-P869 WeakPolarHBondContact CG2-O 3.15Å; L856-P869 HydrophobicContact CD1-CG 4.22Å; D859-P869 HydrophobicContact CB-CG 4.25Å; D859-P869 WeakPolarHBondContact O-CD 3.42Å; P869-Q873 HydrophobicContact CB-CB 4.26Å; P869-I874 HydrophobicContact CB-CG1 4.01Å; P869-I874 HydrophobicContact CG-CD1 4.17Å; P869-I874 HydrophobicContact CG-CG1 3.86Å |
| 870 | K | 93.8 | Very high | 94.8 | Very high | 159 Ų | 159 | 62.8 Ų | 62.8 | 69% | 0.691 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 150.3 | 172.6 | -61.1 | -176 | 179.5 | -175.9 | 0 | 110.2 | G872 Q873 I874 | K870-G872 PolarHBondContact O-N 2.83Å; K870-Q873 WeakPolarHBondContact O-CA 3.34Å; K870-Q873 WeakPolarHBondContact O-CB 3.49Å; K870-Q873 PolarHBondContact O-N 2.83Å; K870-I874 PolarHBondContact O-N 3.04Å; K870-I874 VanDerWaalsContact O-N 3.13Å |
| 871 | F | 97.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -51.3 | -34.8 | 179.5 | -75 | -66.3 | 0 | 0 | 0 | 114.7 | M734 K735 D806 V807 Y810 Q873 I874 V875 | M734-F871 HydrophobicContact CB-CD1 3.6Å; M734-F871 HydrophobicContact CB-CD2 4.03Å; M734-F871 HydrophobicContact CB-CE1 3.41Å; M734-F871 VanDerWaalsContact CB-CE1 3.41Å; M734-F871 HydrophobicContact CB-CE2 3.85Å; M734-F871 HydrophobicContact CB-CG 3.91Å; M734-F871 HydrophobicContact CB-CZ 3.54Å; M734-F871 HydrophobicContact CE-CE2 4.12Å; M734-F871 HydrophobicContact CE-CZ 4.05Å; M734-F871 HydrophobicContact CG-CE1 4.04Å; M734-F871 HydrophobicContact CG-CZ 4.07Å; K735-F871 HydrophobicContact CB-CB 3.86Å; K735-F871 HydrophobicContact CG-CB 4.45Å; D806-F871 HydrophobicContact CB-CE2 4.01Å; D806-F871 HydrophobicContact CB-CZ 4.04Å; V807-F871 HydrophobicContact CB-CZ 4.38Å; V807-F871 HydrophobicContact CG2-CD1 4.27Å; V807-F871 HydrophobicContact CG2-CD2 3.91Å; V807-F871 HydrophobicContact CG2-CE1 4.01Å; V807-F871 HydrophobicContact CG2-CE2 3.63Å; V807-F871 HydrophobicContact CG2-CG 4.22Å; V807-F871 HydrophobicContact CG2-CZ 3.68Å; Y810-F871 HydrophobicContact CD1-CE1 4.32Å; Y810-F871 HydrophobicContact CD2-CE1 4.07Å; Y810-F871 AromaticContact CG-CE1 3.76Å; Y810-F871 HydrophobicContact CG-CE1 3.76Å; F871-Q873 VanDerWaalsContact C-N 3.32Å; F871-Q873 PolarHBondContact O-N 2.91Å; F871-I874 HydrophobicContact CD1-CD1 4.02Å; F871-I874 HydrophobicContact CE1-CD1 4.38Å; F871-I874 PolarHBondContact O-N 2.93Å; F871-V875 WeakPolarHBondContact O-CG2 3.45Å; F871-V875 PolarHBondContact O-N 2.98Å |
| 872 | G | 94.9 | Very high | 94.1 | Very high | 23 Ų | 23 | 66.2 Ų | 66.2 | 24% | 0.237 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.7 | -32.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K870 N876 | K870-G872 PolarHBondContact O-N 2.83Å; G872-N876 WeakPolarHBondContact O-CB 3.46Å; G872-N876 VanDerWaalsContact O-CG 3.22Å; G872-N876 PolarHBondContact O-N 3.27Å; G872-N876 PolarHBondContact O-ND2 2.82Å |
| 873 | Q | 97 | Very high | 93.8 | Very high | 100 Ų | 100 | 72.4 Ų | 72.4 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -74.1 | -43.3 | 173 | -64.3 | 165.3 | -73.7 | 0 | 0 | 110.6 | P869 K870 F871 N876 M877 | P869-Q873 HydrophobicContact CB-CB 4.26Å; K870-Q873 WeakPolarHBondContact O-CA 3.34Å; K870-Q873 WeakPolarHBondContact O-CB 3.49Å; K870-Q873 PolarHBondContact O-N 2.83Å; F871-Q873 VanDerWaalsContact C-N 3.32Å; F871-Q873 PolarHBondContact O-N 2.91Å; Q873-N876 CarbonylContact O-C 3.56Å; Q873-N876 PolarHBondContact O-N 2.86Å; Q873-M877 WeakPolarHBondContact O-CG 3.34Å; Q873-M877 PolarHBondContact O-N 2.8Å |
| 874 | I | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.8 | -51.7 | 176.9 | -61 | 177.2 | 0 | 0 | 0 | 111.1 | V807 Y810 L856 P869 K870 F871 N876 M877 L878 | V807-I874 HydrophobicContact CG1-CD1 4.02Å; V807-I874 HydrophobicContact CG2-CD1 4.1Å; Y810-I874 HydrophobicContact CD1-CD1 4.13Å; Y810-I874 HydrophobicContact CD1-CG2 4.18Å; Y810-I874 HydrophobicContact CE1-CD1 4.43Å; Y810-I874 HydrophobicContact CE1-CG2 3.45Å; Y810-I874 VanDerWaalsContact CE1-CG2 3.45Å; L856-I874 HydrophobicContact CD1-CG1 4.4Å; L856-I874 HydrophobicContact CD2-CG2 4.36Å; P869-I874 HydrophobicContact CB-CG1 4.01Å; P869-I874 HydrophobicContact CG-CD1 4.17Å; P869-I874 HydrophobicContact CG-CG1 3.86Å; K870-I874 PolarHBondContact O-N 3.04Å; K870-I874 VanDerWaalsContact O-N 3.13Å; F871-I874 HydrophobicContact CD1-CD1 4.02Å; F871-I874 HydrophobicContact CE1-CD1 4.38Å; F871-I874 PolarHBondContact O-N 2.93Å; I874-N876 VanDerWaalsContact C-N 3.31Å; I874-N876 PolarHBondContact O-N 3.1Å; I874-M877 WeakPolarHBondContact O-CB 3.07Å; I874-M877 PolarHBondContact O-N 3.47Å; I874-L878 HydrophobicContact CG2-CD1 3.98Å; I874-L878 WeakPolarHBondContact O-CG 3.33Å; I874-L878 PolarHBondContact O-N 2.96Å |
| 875 | V | 97.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 177.8 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | G731 F871 M877 L878 D879 | G731-V875 WeakPolarHBondContact O-CG2 3.48Å; F871-V875 WeakPolarHBondContact O-CG2 3.45Å; F871-V875 PolarHBondContact O-N 2.98Å; V875-M877 VanDerWaalsContact C-N 3.28Å; V875-M877 PolarHBondContact O-N 3.23Å; V875-L878 PolarHBondContact O-N 2.96Å; V875-D879 WeakPolarHBondContact O-CB 3.5Å; V875-D879 PolarHBondContact O-N 3.08Å |
| 876 | N | 95.9 | Very high | 92.5 | Very high | 99 Ų | 99 | 66.6 Ų | 66.6 | 53% | 0.529 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.3 | -25.2 | 175.7 | -78.9 | -31.6 | 0 | 0 | 0 | 113.7 | G872 Q873 I874 K880 | G872-N876 WeakPolarHBondContact O-CB 3.46Å; G872-N876 VanDerWaalsContact O-CG 3.22Å; G872-N876 PolarHBondContact O-N 3.27Å; G872-N876 PolarHBondContact O-ND2 2.82Å; Q873-N876 CarbonylContact O-C 3.56Å; Q873-N876 PolarHBondContact O-N 2.86Å; I874-N876 VanDerWaalsContact C-N 3.31Å; I874-N876 PolarHBondContact O-N 3.1Å; N876-K880 WeakPolarHBondContact O-CD 3.43Å; N876-K880 VanDerWaalsContact O-CG 3.27Å; N876-K880 WeakPolarHBondContact O-CG 3.43Å; N876-K880 PolarHBondContact O-N 2.74Å |
| 877 | M | 94.6 | Very high | 91.8 | Very high | 72 Ų | 72 | 64.2 Ų | 64.2 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -77 | -46.3 | 172.5 | -70 | 165.2 | 174.9 | 0 | 0 | 110.8 | L856 Q873 I874 V875 D879 K880 L881 | L856-M877 HydrophobicContact CD1-SD 3.59Å; L856-M877 VanDerWaalsContact CD1-SD 3.59Å; L856-M877 HydrophobicContact CD2-CB 4.18Å; L856-M877 HydrophobicContact CD2-SD 4.42Å; Q873-M877 WeakPolarHBondContact O-CG 3.34Å; Q873-M877 PolarHBondContact O-N 2.8Å; I874-M877 WeakPolarHBondContact O-CB 3.07Å; I874-M877 PolarHBondContact O-N 3.47Å; V875-M877 VanDerWaalsContact C-N 3.28Å; V875-M877 PolarHBondContact O-N 3.23Å; M877-D879 PolarHBondContact O-N 3.34Å; M877-K880 WeakPolarHBondContact O-CB 3.16Å; M877-K880 PolarHBondContact O-N 2.93Å; M877-K880 VanDerWaalsContact O-N 3.11Å; M877-L881 PolarHBondContact O-N 2.82Å; M877-L881 VanDerWaalsContact O-N 3.09Å |
| 878 | L | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 177.6 | -63.6 | 167 | 0 | 0 | 0 | 111.7 | V724 L727 R728 Y810 L853 L856 I874 V875 K880 L881 I882 | V724-L878 HydrophobicContact CG1-CD2 4.19Å; L727-L878 HydrophobicContact CB-CD1 4.41Å; R728-L878 HydrophobicContact CB-CB 4.1Å; R728-L878 HydrophobicContact CB-CD1 4.36Å; R728-L878 HydrophobicContact CG-CB 4.18Å; Y810-L878 VanDerWaalsContact OH-CD1 3.23Å; Y810-L878 WeakPolarHBondContact OH-CD1 3.22Å; L853-L878 HydrophobicContact CD2-CD2 3.84Å; L856-L878 HydrophobicContact CD2-CD2 4.2Å; L856-L878 HydrophobicContact CD2-CG 4.33Å; I874-L878 HydrophobicContact CG2-CD1 3.98Å; I874-L878 WeakPolarHBondContact O-CG 3.33Å; I874-L878 PolarHBondContact O-N 2.96Å; V875-L878 PolarHBondContact O-N 2.96Å; L878-K880 VanDerWaalsContact C-N 3.26Å; L878-K880 PolarHBondContact O-N 2.94Å; L878-L881 PolarHBondContact O-N 2.64Å; L878-L881 VanDerWaalsContact O-N 3.13Å; L878-I882 WeakPolarHBondContact O-CG1 3.25Å; L878-I882 PolarHBondContact O-N 2.99Å |
| 879 | D | 93.7 | Very high | 89.6 | Confident | 29 Ų | 29 | 65.9 Ų | 65.9 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63 | -28.7 | 174.3 | -84.7 | -11.2 | 0 | 0 | 0 | 112.8 | R728 V875 M877 R883 | R728-D879 WeakPolarHBondContact CG-OD1 3.34Å; R728-D879 IonicContact CZ-OD1 2.81Å; R728-D879 IonicContact CZ-OD2 3.13Å; R728-D879 IonicContact NE-OD1 3.38Å; R728-D879 PolarHBondContact NE-OD1 3.27Å; R728-D879 IonicContact NE-OD2 2.87Å; R728-D879 IonicContact NH2-OD1 3.18Å; R728-D879 PolarHBondContact NH2-OD1 3Å; R728-D879 IonicContact NH2-OD2 3.49Å; R728-D879 PolarHBondContact NH2-OD2 2.86Å; V875-D879 WeakPolarHBondContact O-CB 3.5Å; V875-D879 PolarHBondContact O-N 3.08Å; M877-D879 PolarHBondContact O-N 3.34Å; D879-R883 WeakPolarHBondContact O-CB 3.42Å; D879-R883 WeakPolarHBondContact O-CD 3.47Å; D879-R883 WeakPolarHBondContact O-CG 3.18Å; D879-R883 PolarHBondContact O-N 3.42Å; D879-R883 VanDerWaalsContact O-N 3.13Å |
| 880 | K | 92.6 | Very high | 87.5 | Confident | 148 Ų | 148 | 73.1 Ų | 73.1 | 64% | 0.643 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -71.7 | -42.1 | 171.6 | -72.8 | 167.6 | -175.6 | -179.8 | 0 | 111.8 | N876 M877 L878 R883 N884 | N876-K880 WeakPolarHBondContact O-CD 3.43Å; N876-K880 VanDerWaalsContact O-CG 3.27Å; N876-K880 WeakPolarHBondContact O-CG 3.43Å; N876-K880 PolarHBondContact O-N 2.74Å; M877-K880 WeakPolarHBondContact O-CB 3.16Å; M877-K880 PolarHBondContact O-N 2.93Å; M877-K880 VanDerWaalsContact O-N 3.11Å; L878-K880 VanDerWaalsContact C-N 3.26Å; L878-K880 PolarHBondContact O-N 2.94Å; K880-R883 PolarHBondContact O-N 3.47Å; K880-N884 PolarHBondContact O-N 2.66Å |
| 881 | L | 90.8 | Very high | 85 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 10% | 0.099 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 177.1 | -63.8 | 177.1 | 0 | 0 | 0 | 111.5 | A852 L853 M877 L878 N884 S887 L888 | A852-L881 HydrophobicContact CB-CD1 4.45Å; A852-L881 HydrophobicContact CB-CD2 3.93Å; L853-L881 HydrophobicContact CD2-CD1 3.45Å; L853-L881 VanDerWaalsContact CD2-CD1 3.45Å; L853-L881 HydrophobicContact CG-CD1 4.23Å; M877-L881 PolarHBondContact O-N 2.82Å; M877-L881 VanDerWaalsContact O-N 3.09Å; L878-L881 PolarHBondContact O-N 2.64Å; L878-L881 VanDerWaalsContact O-N 3.13Å; L881-N884 CarbonylContact O-C 3.52Å; L881-N884 PolarHBondContact O-N 3.47Å; L881-S887 VanDerWaalsContact CD2-OG 3.25Å; L881-S887 WeakPolarHBondContact CD2-OG 3.38Å; L881-L888 HydrophobicContact CB-CD2 4.08Å; L881-L888 HydrophobicContact CB-CG 4.41Å; L881-L888 HydrophobicContact CD1-CD2 4.21Å; L881-L888 HydrophobicContact CD2-CD2 4.42Å; L881-L888 HydrophobicContact CG-CD2 4.47Å |
| 882 | I | 91.1 | Very high | 82.1 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 28% | 0.282 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.4 | -67.6 | 168.1 | 0 | 0 | 0 | 111.3 | I721 V724 R728 L878 N884 P885 | I721-I882 HydrophobicContact CD1-CB 4.2Å; I721-I882 HydrophobicContact CD1-CG1 3.97Å; I721-I882 HydrophobicContact CD1-CG2 4.26Å; V724-I882 HydrophobicContact CG1-CD1 4.08Å; V724-I882 HydrophobicContact CG1-CG1 3.61Å; R728-I882 HydrophobicContact CB-CD1 3.86Å; R728-I882 HydrophobicContact CG-CD1 3.83Å; L878-I882 WeakPolarHBondContact O-CG1 3.25Å; L878-I882 PolarHBondContact O-N 2.99Å; I882-N884 VanDerWaalsContact C-N 3.3Å; I882-N884 PolarHBondContact O-N 3.14Å; I882-P885 WeakPolarHBondContact O-CD 3.47Å |
| 883 | R | 89.4 | Confident | 78.9 | Confident | 208 Ų | 208 | 79.3 Ų | 79.3 | 79% | 0.785 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -71.7 | -20.3 | 178.4 | -71 | 171.2 | -163.8 | -152.4 | 6.4 | 113.8 | D879 K880 | D879-R883 WeakPolarHBondContact O-CB 3.42Å; D879-R883 WeakPolarHBondContact O-CD 3.47Å; D879-R883 WeakPolarHBondContact O-CG 3.18Å; D879-R883 PolarHBondContact O-N 3.42Å; D879-R883 VanDerWaalsContact O-N 3.13Å; K880-R883 PolarHBondContact O-N 3.47Å |
| 884 | N | 87 | Confident | 76.2 | Confident | 83 Ų | 83 | 83.4 Ų | 83.4 | 44% | 0.444 | 43% | 0.43 | S | S | . | . | trans | -131 | 77.3 | 174.7 | -176.4 | 10.6 | 0 | 0 | 0 | 111.8 | K880 L881 I882 N886 S887 | K880-N884 PolarHBondContact O-N 2.66Å; L881-N884 CarbonylContact O-C 3.52Å; L881-N884 PolarHBondContact O-N 3.47Å; I882-N884 VanDerWaalsContact C-N 3.3Å; I882-N884 PolarHBondContact O-N 3.14Å; N884-N886 PolarHBondContact O-N 3.08Å; N884-N886 PolarHBondContact OD1-N 3.07Å; N884-S887 WeakPolarHBondContact O-CB 3.41Å; N884-S887 PolarHBondContact O-N 2.62Å; N884-S887 PolarHBondContact O-OG 3.29Å | ||
| 885 | P | 79.8 | Confident | 73.1 | Confident | 69 Ų | 69 | 88.9 Ų | 88.9 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -60.9 | -14.3 | -178.5 | -25.4 | 36 | 0 | 0 | 0 | 115 | I882 S887 L888 | I882-P885 WeakPolarHBondContact O-CD 3.47Å; P885-S887 PolarHBondContact O-N 3.05Å; P885-L888 WeakPolarHBondContact O-CB 3.48Å; P885-L888 PolarHBondContact O-N 2.91Å; P885-L888 VanDerWaalsContact O-N 3.11Å |
| 886 | N | 76.2 | Confident | 69.8 | Low | 98 Ų | 98 | 94 Ų | 94 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -65 | -26.7 | 171.6 | -66.9 | -59.4 | 0 | 0 | 0 | 112.4 | N884 L888 K889 | N884-N886 PolarHBondContact O-N 3.08Å; N884-N886 PolarHBondContact OD1-N 3.07Å; N886-L888 PolarHBondContact O-N 2.9Å; N886-K889 WeakPolarHBondContact O-CB 3.48Å; N886-K889 PolarHBondContact O-N 2.81Å; N886-K889 WeakPolarHBondContact OD1-CE 3.46Å; N886-K889 PolarHBondContact OD1-NZ 3.11Å |
| 887 | S | 75.6 | Confident | 66.5 | Low | 44 Ų | 44 | 100.9 Ų | 100.9 | 31% | 0.308 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -71.2 | -11.8 | 173.4 | 66.1 | 0 | 0 | 0 | 0 | 114.1 | L881 N884 P885 | L881-S887 VanDerWaalsContact CD2-OG 3.25Å; L881-S887 WeakPolarHBondContact CD2-OG 3.38Å; N884-S887 WeakPolarHBondContact O-CB 3.41Å; N884-S887 PolarHBondContact O-N 2.62Å; N884-S887 PolarHBondContact O-OG 3.29Å; P885-S887 PolarHBondContact O-N 3.05Å |
| 888 | L | 75.3 | Confident | 63.4 | Low | 19 Ų | 19 | 103.5 Ų | 103.5 | 10% | 0.099 | 55% | 0.545 | C | S | . | . | G | 310 helix | trans | -91.6 | 0.9 | 173.1 | -62.1 | 170.9 | 0 | 0 | 0 | 112.5 | V720 I721 V724 P850 L853 L881 P885 N886 | V720-L888 HydrophobicContact CG1-CB 4.22Å; V720-L888 HydrophobicContact CG1-CD1 4.36Å; V720-L888 HydrophobicContact CG1-CD2 4.23Å; I721-L888 HydrophobicContact CD1-CD1 3.97Å; V724-L888 HydrophobicContact CG2-CD1 4.21Å; V724-L888 HydrophobicContact CG2-CD2 3.99Å; P850-L888 HydrophobicContact CB-CD2 4.16Å; P850-L888 HydrophobicContact CG-CB 4.26Å; P850-L888 HydrophobicContact CG-CD2 3.93Å; L853-L888 HydrophobicContact CD1-CD2 4.3Å; L853-L888 HydrophobicContact CG-CD2 4.36Å; L881-L888 HydrophobicContact CB-CD2 4.08Å; L881-L888 HydrophobicContact CB-CG 4.41Å; L881-L888 HydrophobicContact CD1-CD2 4.21Å; L881-L888 HydrophobicContact CD2-CD2 4.42Å; L881-L888 HydrophobicContact CG-CD2 4.47Å; P885-L888 WeakPolarHBondContact O-CB 3.48Å; P885-L888 PolarHBondContact O-N 2.91Å; P885-L888 VanDerWaalsContact O-N 3.11Å; N886-L888 PolarHBondContact O-N 2.9Å |
| 889 | K | 67.8 | Low | 60.1 | Low | 132 Ų | 132 | 111 Ų | 111 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -79.2 | 144.7 | 173 | -67.8 | 174.3 | 174.1 | 169.4 | 0 | 110.3 | N886 T891 | N886-K889 WeakPolarHBondContact O-CB 3.48Å; N886-K889 PolarHBondContact O-N 2.81Å; N886-K889 WeakPolarHBondContact OD1-CE 3.46Å; N886-K889 PolarHBondContact OD1-NZ 3.11Å; K889-T891 VanDerWaalsContact C-N 3.34Å; K889-T891 PolarHBondContact O-N 3.25Å |
| 890 | R | 53.5 | Low | 57.1 | Low | 166 Ų | 166 | 116.2 Ų | 116.2 | 63% | 0.626 | 62% | 0.619 | S | S | * | * | trans | -71.5 | 83.2 | 176.8 | -167.8 | -167.1 | -145.1 | 142.6 | 16.8 | 110.7 | D848 G892 | D848-R890 IonicContact OD1-CZ 2.59Å; D848-R890 IonicContact OD1-NH1 2.67Å; D848-R890 PolarHBondContact OD1-NH1 3.46Å; D848-R890 IonicContact OD1-NH2 3.98Å; D848-R890 PolarHBondContact OD1-NH2 2.89Å; R890-G892 VanDerWaalsContact C-N 3.28Å; R890-G892 PolarHBondContact O-N 2.83Å | ||
| 891 | T | 41.2 | Very low | 53.9 | Low | 110 Ų | 110 | 113 Ų | 113 | 68% | 0.675 | 62% | 0.62 | S | S | * | * | trans | -67.9 | 86.5 | 171.7 | 46.8 | 0 | 0 | 0 | 0 | 110.2 | K889 | K889-T891 VanDerWaalsContact C-N 3.34Å; K889-T891 PolarHBondContact O-N 3.25Å | ||
| 892 | G | 37 | Very low | 50.9 | Low | 70 Ų | 70 | 119.6 Ų | 119.6 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | trans | -134 | 31.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R890 | R890-G892 VanDerWaalsContact C-N 3.28Å; R890-G892 PolarHBondContact O-N 2.83Å | ||
| 893 | T | 28.4 | Very low | 48 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -121.5 | 134.1 | 171 | 50 | 0 | 0 | 0 | 0 | 108.8 | ||
| 894 | E | 39.6 | Very low | 45 | Very low | 187 Ų | 187 | 121.6 Ų | 121.6 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | -28.7 | 162.7 | -173 | -58.4 | 175.2 | 141.2 | 0 | 0 | 121.2 | ||||
| 895 | S | 32.5 | Very low | 42.7 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | trans | 90.1 | 142.2 | 162.7 | 80.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 896 | S | 27.7 | Very low | 40.1 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | 71.7 | 84.9 | 171.2 | 68.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 897 | R | 27 | Very low | 38.1 | Very low | 242 Ų | 242 | 125.2 Ų | 125.2 | 91% | 0.913 | 72% | 0.719 | S | S | * | * | trans | -124.3 | 132.6 | 144.6 | -96.6 | -171.4 | 174.3 | -176 | -1.3 | 109.3 | ||||
| 898 | P | 29.8 | Very low | 36.2 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | trans | -75.8 | 147.9 | 163 | -13.7 | 30 | 0 | 0 | 0 | 111.6 | ||||
| 899 | N | 26.9 | Very low | 34.3 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -48.2 | 144.7 | -175.5 | -55.7 | -25.5 | 0 | 0 | 0 | 115.9 | ||||
| 900 | T | 29.4 | Very low | 33.2 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | -155.1 | 145.2 | 110.1 | -69.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 901 | A | 26.2 | Very low | 32.8 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | -40.5 | 157.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 902 | L | 28.6 | Very low | 33 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | cis | -160.1 | 170.7 | 8.7 | -123.9 | 163.5 | 0 | 0 | 0 | 110.7 | ||||
| 903 | L | 29.9 | Very low | 33.9 | Very low | 154 Ų | 154 | 125.3 Ų | 125.3 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | trans | 76.8 | 63.6 | 171.7 | -52.9 | 178.5 | 0 | 0 | 0 | 118.7 | ||||
| 904 | D | 26.1 | Very low | 35.4 | Very low | 150 Ų | 150 | 125 Ų | 125 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | 28.1 | 153.3 | 100.9 | -131.1 | 48.1 | 0 | 0 | 0 | 120.7 | |||||
| 905 | P | 37.8 | Very low | 37.3 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 62% | 0.617 | 70% | 0.697 | S | S | * | * | -136.2 | 164.3 | -56.7 | 39.8 | -26.9 | 0 | 0 | 0 | 114.2 | |||||
| 906 | S | 26.8 | Very low | 39.6 | Very low | 123 Ų | 123 | 112.9 Ų | 112.9 | 86% | 0.86 | 66% | 0.66 | S | S | * | * | trans | 178 | 122.8 | 130.7 | 36.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 907 | S | 33.6 | Very low | 42.1 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 76% | 0.755 | 63% | 0.625 | S | S | * | * | trans | -140 | 120.6 | 159.9 | 57 | 0 | 0 | 0 | 0 | 107.3 | E909 | S907-E909 PolarHBondContact O-N 2.87Š| ||
| 908 | P | 34.5 | Very low | 44.5 | Very low | 100 Ų | 100 | 99.3 Ų | 99.3 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | trans | -64.5 | 135.1 | -176.2 | -21.9 | 33.1 | 0 | 0 | 0 | 112 | A912 | P908-A912 HydrophobicContact CB-CB 4.34Š| ||
| 909 | E | 35.5 | Very low | 47.2 | Very low | 150 Ų | 150 | 93.2 Ų | 93.2 | 70% | 0.701 | 56% | 0.558 | S | S | * | * | trans | -62.1 | 152.3 | 153.9 | -66.6 | -176 | 157 | 0 | 0 | 109.3 | S907 S911 A912 | S907-E909 PolarHBondContact O-N 2.87Å; E909-S911 WeakPolarHBondContact CB-OG 3.48Å; E909-S911 PolarHBondContact O-N 2.67Å; E909-S911 PolarHBondContact OE2-OG 2.71Å; E909-S911 VanDerWaalsContact OE2-OG 3.06Å; E909-A912 PolarHBondContact O-N 3.18Å | ||
| 910 | F | 44.7 | Very low | 49.8 | Very low | 107 Ų | 107 | 85.7 Ų | 85.7 | 47% | 0.469 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -65.5 | -6.3 | 178.4 | -108.9 | -95.8 | 0 | 0 | 0 | 114.1 | A912 V913 | F910-A912 PolarHBondContact O-N 3.29Å; F910-V913 HydrophobicContact CD1-CG2 4.11Å; F910-V913 HydrophobicContact CE1-CG2 4.37Å; F910-V913 HydrophobicContact CG-CG2 4.44Å |
| 911 | S | 45.4 | Very low | 52.2 | Low | 99 Ų | 99 | 85 Ų | 85 | 69% | 0.692 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -69.6 | -11 | 167.6 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | E909 | E909-S911 WeakPolarHBondContact CB-OG 3.48Å; E909-S911 PolarHBondContact O-N 2.67Å; E909-S911 PolarHBondContact OE2-OG 2.71Å; E909-S911 VanDerWaalsContact OE2-OG 3.06Å |
| 912 | A | 46.8 | Very low | 54.4 | Low | 57 Ų | 57 | 83.8 Ų | 83.8 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -120.2 | 21.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P908 E909 F910 V914 | P908-A912 HydrophobicContact CB-CB 4.34Å; E909-A912 PolarHBondContact O-N 3.18Å; F910-A912 PolarHBondContact O-N 3.29Å; A912-V914 PolarHBondContact O-N 2.94Å |
| 913 | V | 53.9 | Low | 56.7 | Low | 30 Ų | 30 | 77.5 Ų | 77.5 | 18% | 0.182 | 46% | 0.462 | C | S | . | . | trans | -88.6 | 101.6 | 177.4 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | F910 D918 W919 L940 | F910-V913 HydrophobicContact CD1-CG2 4.11Å; F910-V913 HydrophobicContact CE1-CG2 4.37Å; F910-V913 HydrophobicContact CG-CG2 4.44Å; V913-D918 HydrophobicContact CG1-CB 4.47Å; V913-W919 HydrophobicContact CG1-CB 3.75Å; V913-L940 HydrophobicContact CG1-CD1 4.09Å; V913-L940 HydrophobicContact CG1-CD2 4.37Å | ||
| 914 | V | 61.5 | Low | 58.6 | Low | 130 Ų | 130 | 77.9 Ų | 77.9 | 79% | 0.788 | 46% | 0.457 | S | S | * | . | trans | -94.3 | -31.2 | -173.2 | -175.6 | 0 | 0 | 0 | 0 | 112.8 | A912 | A912-V914 PolarHBondContact O-N 2.94Š| ||
| 915 | S | 78.3 | Confident | 61.4 | Low | 42 Ų | 42 | 71.1 Ų | 71.1 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -130.4 | 164.3 | 179.2 | 79.8 | 0 | 0 | 0 | 0 | 114 | G917 D918 W919 | S915-G917 PolarHBondContact O-N 2.8Å; S915-G917 PolarHBondContact OG-N 2.68Å; S915-D918 WeakPolarHBondContact CA-OD2 3.4Å; S915-D918 VanDerWaalsContact CB-OD2 3.27Å; S915-D918 WeakPolarHBondContact CB-OD2 3.39Å; S915-D918 PolarHBondContact N-OD2 2.78Å; S915-D918 PolarHBondContact O-N 2.89Å; S915-D918 PolarHBondContact OG-N 2.91Å; S915-D918 PolarHBondContact OG-OD2 3.13Å; S915-W919 PolarHBondContact O-N 3.24Å; S915-W919 VanDerWaalsContact O-N 3.09Å |
| 916 | V | 81.8 | Confident | 63.4 | Low | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.03 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.9 | -30.4 | 171.3 | 175 | 0 | 0 | 0 | 0 | 111.8 | W919 L920 F932 Y937 T938 T939 L940 V943 | V916-W919 HydrophobicContact CG1-CE3 3.99Å; V916-W919 HydrophobicContact CG1-CZ3 4.27Å; V916-L920 HydrophobicContact CG1-CD1 4.06Å; V916-L920 HydrophobicContact CG1-CG 4.41Å; V916-L920 WeakPolarHBondContact O-CB 3.42Å; V916-L920 VanDerWaalsContact O-CG 3.32Å; V916-L920 WeakPolarHBondContact O-CG 3.35Å; V916-L920 PolarHBondContact O-N 2.9Å; V916-F932 HydrophobicContact CG1-CB 4.11Å; V916-F932 HydrophobicContact CG1-CD1 3.98Å; V916-F932 HydrophobicContact CG1-CG 4.27Å; V916-Y937 WeakPolarHBondContact CG1-O 3.43Å; V916-Y937 WeakPolarHBondContact CG2-O 3.16Å; V916-T938 WeakPolarHBondContact CG2-O 3.11Å; V916-T939 WeakPolarHBondContact CG2-O 3.36Å; V916-L940 HydrophobicContact CG2-CD2 4.24Å; V916-V943 HydrophobicContact CB-CG2 4.33Å; V916-V943 HydrophobicContact CG1-CG2 3.75Å; V916-V943 HydrophobicContact CG2-CG2 3.58Å |
| 917 | G | 80 | Confident | 66 | Low | 7 Ų | 7 | 71.6 Ų | 71.6 | 7% | 0.072 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S915 L920 Q921 | S915-G917 PolarHBondContact O-N 2.8Å; S915-G917 PolarHBondContact OG-N 2.68Å; G917-L920 PolarHBondContact O-N 3.39Å; G917-Q921 WeakPolarHBondContact O-CB 3.48Å; G917-Q921 PolarHBondContact O-N 2.8Å |
| 918 | D | 78.3 | Confident | 68.5 | Low | 66 Ų | 66 | 67.3 Ų | 67.3 | 35% | 0.353 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 179.3 | -46.3 | -50.8 | 0 | 0 | 0 | 110.9 | V913 S915 Q921 A922 | V913-D918 HydrophobicContact CG1-CB 4.47Å; S915-D918 WeakPolarHBondContact CA-OD2 3.4Å; S915-D918 VanDerWaalsContact CB-OD2 3.27Å; S915-D918 WeakPolarHBondContact CB-OD2 3.39Å; S915-D918 PolarHBondContact N-OD2 2.78Å; S915-D918 PolarHBondContact O-N 2.89Å; S915-D918 PolarHBondContact OG-N 2.91Å; S915-D918 PolarHBondContact OG-OD2 3.13Å; D918-Q921 PolarHBondContact O-N 2.89Å; D918-A922 WeakPolarHBondContact O-CB 3.49Å; D918-A922 PolarHBondContact O-N 2.83Å |
| 919 | W | 85 | Confident | 70.8 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 172.1 | 168 | 67.3 | 0 | 0 | 0 | 112.1 | V913 S915 V916 Q921 A922 I923 F932 L940 V943 I965 S968 V969 M972 | V913-W919 HydrophobicContact CG1-CB 3.75Å; S915-W919 PolarHBondContact O-N 3.24Å; S915-W919 VanDerWaalsContact O-N 3.09Å; V916-W919 HydrophobicContact CG1-CE3 3.99Å; V916-W919 HydrophobicContact CG1-CZ3 4.27Å; W919-Q921 VanDerWaalsContact C-N 3.28Å; W919-Q921 PolarHBondContact O-N 3.37Å; W919-A922 PolarHBondContact O-N 2.95Å; W919-A922 VanDerWaalsContact O-N 3.15Å; W919-I923 HydrophobicContact CH2-CD1 4.39Å; W919-I923 HydrophobicContact CZ2-CD1 3.9Å; W919-I923 WeakPolarHBondContact O-CG1 3.09Å; W919-I923 PolarHBondContact O-N 3.19Å; W919-F932 HydrophobicContact CH2-CE1 4.11Å; W919-F932 HydrophobicContact CH2-CZ 4.1Å; W919-F932 HydrophobicContact CZ3-CD1 4.24Å; W919-F932 AromaticContact CZ3-CE1 3.72Å; W919-F932 HydrophobicContact CZ3-CE1 3.72Å; W919-F932 AromaticContact CZ3-CZ 3.94Å; W919-F932 HydrophobicContact CZ3-CZ 3.94Å; W919-L940 HydrophobicContact CB-CD2 3.78Å; W919-L940 HydrophobicContact CG-CD2 4.12Å; W919-V943 HydrophobicContact CD2-CG1 4.42Å; W919-V943 HydrophobicContact CE3-CG1 3.96Å; W919-V943 HydrophobicContact CH2-CG1 3.31Å; W919-V943 HydrophobicContact CZ2-CG1 3.86Å; W919-V943 HydrophobicContact CZ3-CB 4.42Å; W919-V943 HydrophobicContact CZ3-CG1 3.4Å; W919-V943 VanDerWaalsContact CZ3-CG1 3.4Å; W919-V943 HydrophobicContact CZ3-CG2 4.11Å; W919-I965 HydrophobicContact CH2-CG2 3.83Å; W919-I965 HydrophobicContact CZ2-CG2 4.39Å; W919-S968 PolarHBondContact NE1-OG 2.98Å; W919-V969 HydrophobicContact CH2-CG2 4.17Å; W919-V969 HydrophobicContact CZ2-CG2 4.04Å; W919-M972 HydrophobicContact CD2-CE 4.19Å; W919-M972 VanDerWaalsContact CE2-CE 3.45Å; W919-M972 HydrophobicContact CG-SD 4.44Å; W919-M972 HydrophobicContact CH2-CE 4.43Å; W919-M972 HydrophobicContact CZ2-CE 3.6Å |
| 920 | L | 81.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 177 | -75.6 | 169.7 | 0 | 0 | 0 | 111.3 | V916 G917 I923 K924 M925 D926 K929 F932 | V916-L920 HydrophobicContact CG1-CD1 4.06Å; V916-L920 HydrophobicContact CG1-CG 4.41Å; V916-L920 WeakPolarHBondContact O-CB 3.42Å; V916-L920 VanDerWaalsContact O-CG 3.32Å; V916-L920 WeakPolarHBondContact O-CG 3.35Å; V916-L920 PolarHBondContact O-N 2.9Å; G917-L920 PolarHBondContact O-N 3.39Å; L920-I923 HydrophobicContact CD2-CD1 4.37Å; L920-I923 WeakPolarHBondContact O-CG1 3.21Å; L920-I923 PolarHBondContact O-N 2.84Å; L920-K924 PolarHBondContact O-N 2.88Å; L920-K924 VanDerWaalsContact O-N 3.09Å; L920-M925 HydrophobicContact CD2-CB 4.02Å; L920-M925 CarbonylContact O-C 3.6Å; L920-M925 PolarHBondContact O-N 2.89Å; L920-D926 PolarHBondContact O-N 2.85Å; L920-K929 HydrophobicContact CD1-CB 4.36Å; L920-F932 HydrophobicContact CD1-CB 4.01Å; L920-F932 HydrophobicContact CD1-CD2 3.81Å; L920-F932 HydrophobicContact CD1-CE2 4.47Å; L920-F932 HydrophobicContact CD1-CG 3.91Å; L920-F932 HydrophobicContact CD2-CD2 4.08Å; L920-F932 HydrophobicContact CD2-CE2 3.91Å; L920-F932 HydrophobicContact CD2-CZ 4.39Å |
| 921 | Q | 79.6 | Confident | 75 | Confident | 125 Ų | 125 | 63.1 Ų | 63.1 | 58% | 0.584 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.9 | -43.5 | 174.2 | -172.3 | 173.8 | -7.3 | 0 | 0 | 112.3 | G917 D918 W919 I923 K924 D926 | G917-Q921 WeakPolarHBondContact O-CB 3.48Å; G917-Q921 PolarHBondContact O-N 2.8Å; D918-Q921 PolarHBondContact O-N 2.89Å; W919-Q921 VanDerWaalsContact C-N 3.28Å; W919-Q921 PolarHBondContact O-N 3.37Å; Q921-I923 VanDerWaalsContact C-N 3.34Å; Q921-I923 PolarHBondContact O-N 2.93Å; Q921-K924 PolarHBondContact O-N 3.11Å; Q921-D926 HydrophobicContact CB-CB 4.38Å |
| 922 | A | 72.5 | Confident | 77.1 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D918 W919 K924 | D918-A922 WeakPolarHBondContact O-CB 3.49Å; D918-A922 PolarHBondContact O-N 2.83Å; W919-A922 PolarHBondContact O-N 2.95Å; W919-A922 VanDerWaalsContact O-N 3.15Å; A922-K924 VanDerWaalsContact C-N 3.26Å; A922-K924 PolarHBondContact O-N 2.96Å |
| 923 | I | 77.7 | Confident | 78.8 | Confident | 25 Ų | 25 | 59.3 Ų | 59.3 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 2.8 | 173.4 | 71.1 | 168.8 | 0 | 0 | 0 | 113.5 | W919 L920 Q921 M925 K964 I965 | W919-I923 HydrophobicContact CH2-CD1 4.39Å; W919-I923 HydrophobicContact CZ2-CD1 3.9Å; W919-I923 WeakPolarHBondContact O-CG1 3.09Å; W919-I923 PolarHBondContact O-N 3.19Å; L920-I923 HydrophobicContact CD2-CD1 4.37Å; L920-I923 WeakPolarHBondContact O-CG1 3.21Å; L920-I923 PolarHBondContact O-N 2.84Å; Q921-I923 VanDerWaalsContact C-N 3.34Å; Q921-I923 PolarHBondContact O-N 2.93Å; I923-M925 HydrophobicContact CD1-CB 4.13Å; I923-M925 HydrophobicContact CD1-CG 3.82Å; I923-M925 HydrophobicContact CG1-CB 3.95Å; I923-M925 HydrophobicContact CG1-CG 3.79Å; I923-K964 WeakPolarHBondContact O-CE 3.22Å; I923-K964 PolarHBondContact O-NZ 2.64Å; I923-I965 HydrophobicContact CD1-CG1 4.02Å |
| 924 | K | 70.3 | Confident | 80 | Confident | 161 Ų | 161 | 62.4 Ų | 62.4 | 70% | 0.7 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 56.7 | -176.5 | -51.6 | -171.7 | -179.1 | -167.6 | 0 | 112.3 | L920 Q921 A922 K964 | L920-K924 PolarHBondContact O-N 2.88Å; L920-K924 VanDerWaalsContact O-N 3.09Å; Q921-K924 PolarHBondContact O-N 3.11Å; A922-K924 VanDerWaalsContact C-N 3.26Å; A922-K924 PolarHBondContact O-N 2.96Å; K924-K964 PolarHBondContact O-NZ 2.77Å |
| 925 | M | 83.9 | Confident | 81 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | trans | -138 | 23.8 | 174.9 | -60 | -87 | 69.8 | 0 | 0 | 110.2 | M847 L920 I923 R927 Y928 H961 K964 I965 | M847-M925 HydrophobicContact SD-CE 4.27Å; L920-M925 HydrophobicContact CD2-CB 4.02Å; L920-M925 CarbonylContact O-C 3.6Å; L920-M925 PolarHBondContact O-N 2.89Å; I923-M925 HydrophobicContact CD1-CB 4.13Å; I923-M925 HydrophobicContact CD1-CG 3.82Å; I923-M925 HydrophobicContact CG1-CB 3.95Å; I923-M925 HydrophobicContact CG1-CG 3.79Å; M925-R927 PolarHBondContact O-N 2.9Å; M925-Y928 HydrophobicContact CB-CD2 4.31Å; M925-Y928 HydrophobicContact CE-CE2 4.33Å; M925-Y928 PolarHBondContact O-N 3.39Å; M925-Y928 HydrophobicContact SD-CE2 4.47Å; M925-H961 HydrophobicContact CE-CB 4.43Å; M925-H961 HydrophobicContact SD-CB 3.91Å; M925-K964 HydrophobicContact CG-CD 4.36Å; M925-K964 HydrophobicContact SD-CD 3.96Å; M925-I965 HydrophobicContact CG-CD1 4.46Å; M925-I965 HydrophobicContact CG-CG1 4.09Å; M925-I965 HydrophobicContact SD-CD1 4.27Å; M925-I965 HydrophobicContact SD-CG1 4.19Å | ||
| 926 | D | 81.1 | Confident | 81.1 | Confident | 90 Ų | 90 | 58.5 Ų | 58.5 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -49.6 | -35.6 | 178.7 | 47.2 | -76.9 | 0 | 0 | 0 | 113.7 | L920 Q921 Y928 K929 | L920-D926 PolarHBondContact O-N 2.85Å; Q921-D926 HydrophobicContact CB-CB 4.38Å; D926-Y928 PolarHBondContact O-N 2.79Å; D926-K929 WeakPolarHBondContact O-CB 3.43Å; D926-K929 PolarHBondContact O-N 3.39Å |
| 927 | R | 79.7 | Confident | 81.3 | Confident | 138 Ų | 138 | 60.2 Ų | 60.2 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -55.6 | -7.7 | 172.1 | 73.1 | 173.6 | -66.2 | -178.7 | 3 | 116.1 | M925 | M925-R927 PolarHBondContact O-N 2.9Š|
| 928 | Y | 86.2 | Confident | 81.3 | Confident | 18 Ų | 18 | 64 Ų | 64 | 7% | 0.071 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -112.8 | 9.4 | 177 | -61.6 | -56.7 | 0 | 0 | 0 | 113.4 | M925 D926 D930 N931 F932 I956 H961 | M925-Y928 HydrophobicContact CB-CD2 4.31Å; M925-Y928 HydrophobicContact CE-CE2 4.33Å; M925-Y928 PolarHBondContact O-N 3.39Å; M925-Y928 HydrophobicContact SD-CE2 4.47Å; D926-Y928 PolarHBondContact O-N 2.79Å; Y928-D930 PolarHBondContact O-N 3.2Å; Y928-N931 HydrophobicContact CD1-CB 4.48Å; Y928-N931 WeakPolarHBondContact O-CB 3.5Å; Y928-N931 PolarHBondContact O-N 3.34Å; Y928-F932 WeakPolarHBondContact O-CD2 3.41Å; Y928-F932 PolarHBondContact O-N 2.64Å; Y928-I956 HydrophobicContact CD1-CD1 3.98Å; Y928-I956 HydrophobicContact CD1-CG1 3.68Å; Y928-I956 HydrophobicContact CD2-CD1 3.95Å; Y928-I956 HydrophobicContact CD2-CG1 4.3Å; Y928-I956 HydrophobicContact CE1-CG1 3.9Å; Y928-I956 HydrophobicContact CE1-CG2 4.49Å; Y928-I956 HydrophobicContact CE2-CG1 4.5Å; Y928-I956 HydrophobicContact CE2-CG2 4.13Å; Y928-I956 HydrophobicContact CG-CD1 3.65Å; Y928-I956 HydrophobicContact CG-CG1 3.89Å; Y928-H961 HydrophobicContact CE2-CB 4.07Å; Y928-H961 AromaticContact CE2-CG 3.96Å; Y928-H961 AromaticContact CE2-ND1 3.45Å; Y928-H961 WeakPolarHBondContact CE2-ND1 2.74Å; Y928-H961 AromaticContact CZ-ND1 3.57Å; Y928-H961 PolarHBondContact OH-ND1 3.12Å |
| 929 | K | 83.9 | Confident | 81.4 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -54.4 | -42.8 | 176.7 | -177.7 | 173.8 | 179.1 | 175.5 | 0 | 111.9 | L920 D926 T933 | L920-K929 HydrophobicContact CD1-CB 4.36Å; D926-K929 WeakPolarHBondContact O-CB 3.43Å; D926-K929 PolarHBondContact O-N 3.39Å; K929-T933 WeakPolarHBondContact O-CB 3.44Å; K929-T933 PolarHBondContact O-N 2.72Å; K929-T933 PolarHBondContact O-OG1 3.23Å |
| 930 | D | 80.4 | Confident | 81.1 | Confident | 119 Ų | 119 | 66 Ų | 66 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -75.4 | -37 | -179.1 | -51 | -46.9 | 0 | 0 | 0 | 111.3 | Y928 F932 T933 A934 | Y928-D930 PolarHBondContact O-N 3.2Å; D930-F932 PolarHBondContact O-N 2.74Å; D930-T933 PolarHBondContact O-N 3.49Å; D930-A934 VanDerWaalsContact O-CB 3.22Å; D930-A934 WeakPolarHBondContact O-CB 3.38Å; D930-A934 PolarHBondContact O-N 2.87Å |
| 931 | N | 88.4 | Confident | 80.9 | Confident | 53 Ų | 53 | 72.2 Ų | 72.2 | 28% | 0.283 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 171.8 | -63.9 | 79.2 | 0 | 0 | 0 | 112.7 | Y928 A935 I954 | Y928-N931 HydrophobicContact CD1-CB 4.48Å; Y928-N931 WeakPolarHBondContact O-CB 3.5Å; Y928-N931 PolarHBondContact O-N 3.34Å; N931-A935 VanDerWaalsContact O-CB 3.27Å; N931-A935 WeakPolarHBondContact O-CB 3.3Å; N931-A935 PolarHBondContact O-N 2.81Å; N931-I954 WeakPolarHBondContact CB-O 3.15Å; N931-I954 PolarHBondContact ND2-O 3.01Å |
| 932 | F | 88.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 176.3 | -90.8 | -101.8 | 0 | 0 | 0 | 111.8 | V916 W919 L920 Y928 D930 A935 G936 Y937 V943 L951 I954 I956 I965 | V916-F932 HydrophobicContact CG1-CB 4.11Å; V916-F932 HydrophobicContact CG1-CD1 3.98Å; V916-F932 HydrophobicContact CG1-CG 4.27Å; W919-F932 HydrophobicContact CH2-CE1 4.11Å; W919-F932 HydrophobicContact CH2-CZ 4.1Å; W919-F932 HydrophobicContact CZ3-CD1 4.24Å; W919-F932 AromaticContact CZ3-CE1 3.72Å; W919-F932 HydrophobicContact CZ3-CE1 3.72Å; W919-F932 AromaticContact CZ3-CZ 3.94Å; W919-F932 HydrophobicContact CZ3-CZ 3.94Å; L920-F932 HydrophobicContact CD1-CB 4.01Å; L920-F932 HydrophobicContact CD1-CD2 3.81Å; L920-F932 HydrophobicContact CD1-CE2 4.47Å; L920-F932 HydrophobicContact CD1-CG 3.91Å; L920-F932 HydrophobicContact CD2-CD2 4.08Å; L920-F932 HydrophobicContact CD2-CE2 3.91Å; L920-F932 HydrophobicContact CD2-CZ 4.39Å; Y928-F932 WeakPolarHBondContact O-CD2 3.41Å; Y928-F932 PolarHBondContact O-N 2.64Å; D930-F932 PolarHBondContact O-N 2.74Å; F932-A935 PolarHBondContact O-N 2.85Å; F932-G936 PolarHBondContact O-N 2.7Å; F932-Y937 HydrophobicContact CD1-CD2 4.34Å; F932-Y937 HydrophobicContact CD1-CG 4.23Å; F932-Y937 PolarHBondContact O-N 2.82Å; F932-V943 HydrophobicContact CD1-CG2 3.9Å; F932-V943 HydrophobicContact CE1-CG1 4.49Å; F932-V943 HydrophobicContact CE1-CG2 3.96Å; F932-L951 HydrophobicContact CE2-CD2 4.18Å; F932-L951 HydrophobicContact CZ-CD2 3.67Å; F932-I954 HydrophobicContact CD2-CD1 3.76Å; F932-I954 HydrophobicContact CE1-CD1 4.42Å; F932-I954 HydrophobicContact CE2-CD1 3.69Å; F932-I954 HydrophobicContact CG-CD1 4.19Å; F932-I954 HydrophobicContact CZ-CD1 4.02Å; F932-I956 HydrophobicContact CD2-CD1 4.25Å; F932-I956 HydrophobicContact CE2-CD1 3.63Å; F932-I965 HydrophobicContact CE2-CD1 4.25Å; F932-I965 HydrophobicContact CZ-CG2 3.87Å |
| 933 | T | 82.1 | Confident | 81.5 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.7 | -47.2 | -179.2 | -56 | 0 | 0 | 0 | 0 | 111.6 | K929 D930 A935 G936 T938 | K929-T933 WeakPolarHBondContact O-CB 3.44Å; K929-T933 PolarHBondContact O-N 2.72Å; K929-T933 PolarHBondContact O-OG1 3.23Å; D930-T933 PolarHBondContact O-N 3.49Å; T933-A935 PolarHBondContact O-N 2.83Å; T933-G936 PolarHBondContact O-N 2.9Å; T933-T938 HydrophobicContact CG2-CG2 4.37Å |
| 934 | A | 79.1 | Confident | 81.8 | Confident | 95 Ų | 95 | 64.6 Ų | 64.6 | 79% | 0.785 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.3 | -26.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D930 G936 | D930-A934 VanDerWaalsContact O-CB 3.22Å; D930-A934 WeakPolarHBondContact O-CB 3.38Å; D930-A934 PolarHBondContact O-N 2.87Å; A934-G936 VanDerWaalsContact C-N 3.32Å |
| 935 | A | 82.8 | Confident | 82.3 | Confident | 44 Ų | 44 | 64 Ų | 64 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N931 F932 T933 Y937 I954 | N931-A935 VanDerWaalsContact O-CB 3.27Å; N931-A935 WeakPolarHBondContact O-CB 3.3Å; N931-A935 PolarHBondContact O-N 2.81Å; F932-A935 PolarHBondContact O-N 2.85Å; T933-A935 PolarHBondContact O-N 2.83Å; A935-Y937 VanDerWaalsContact C-N 3.31Å; A935-Y937 HydrophobicContact CB-CD2 3.77Å; A935-Y937 HydrophobicContact CB-CE2 4.07Å; A935-Y937 PolarHBondContact O-N 2.85Å; A935-I954 HydrophobicContact CB-CB 4.04Å; A935-I954 HydrophobicContact CB-CG2 3.22Å |
| 936 | G | 80.7 | Confident | 82.4 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F932 T933 A934 T938 | F932-G936 PolarHBondContact O-N 2.7Å; T933-G936 PolarHBondContact O-N 2.9Å; A934-G936 VanDerWaalsContact C-N 3.32Å; G936-T938 PolarHBondContact O-N 3.03Å |
| 937 | Y | 86.1 | Confident | 82.5 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 16% | 0.161 | 35% | 0.35 | C | S | . | . | trans | -80.5 | 65.8 | 173.9 | -64.3 | -67.7 | 0 | 0 | 0 | 110.6 | V916 F932 A935 A942 V946 I954 | V916-Y937 WeakPolarHBondContact CG1-O 3.43Å; V916-Y937 WeakPolarHBondContact CG2-O 3.16Å; F932-Y937 HydrophobicContact CD1-CD2 4.34Å; F932-Y937 HydrophobicContact CD1-CG 4.23Å; F932-Y937 PolarHBondContact O-N 2.82Å; A935-Y937 VanDerWaalsContact C-N 3.31Å; A935-Y937 HydrophobicContact CB-CD2 3.77Å; A935-Y937 HydrophobicContact CB-CE2 4.07Å; A935-Y937 PolarHBondContact O-N 2.85Å; Y937-A942 HydrophobicContact CD1-CB 4Å; Y937-V946 HydrophobicContact CD1-CG2 3.69Å; Y937-V946 HydrophobicContact CD2-CG2 4.42Å; Y937-V946 HydrophobicContact CE1-CG2 3.39Å; Y937-V946 HydrophobicContact CE2-CG2 4.17Å; Y937-V946 HydrophobicContact CG-CG2 4.22Å; Y937-I954 HydrophobicContact CD2-CG2 4.45Å; Y937-I954 HydrophobicContact CE2-CG2 4.07Å | ||
| 938 | T | 79.3 | Confident | 82.6 | Confident | 86 Ų | 86 | 60.2 Ų | 60.2 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | trans | -91.5 | -19.5 | -176.9 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | V916 T933 G936 | V916-T938 WeakPolarHBondContact CG2-O 3.11Å; T933-T938 HydrophobicContact CG2-CG2 4.37Å; G936-T938 PolarHBondContact O-N 3.03Å | ||
| 939 | T | 81.3 | Confident | 82.4 | Confident | 62 Ų | 62 | 66 Ų | 66 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -110.9 | 151.4 | 174.5 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | V916 E941 A942 V943 | V916-T939 WeakPolarHBondContact CG2-O 3.36Å; T939-E941 PolarHBondContact O-N 2.79Å; T939-A942 PolarHBondContact O-N 2.84Å; T939-A942 PolarHBondContact OG1-N 2.95Å; T939-V943 PolarHBondContact O-N 3.3Å; T939-V943 VanDerWaalsContact O-N 3.13Å |
| 940 | L | 78.4 | Confident | 82.4 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62 | -29 | 176.3 | -66.7 | 170.8 | 0 | 0 | 0 | 112.1 | V913 V916 W919 V943 V944 M972 | V913-L940 HydrophobicContact CG1-CD1 4.09Å; V913-L940 HydrophobicContact CG1-CD2 4.37Å; V916-L940 HydrophobicContact CG2-CD2 4.24Å; W919-L940 HydrophobicContact CB-CD2 3.78Å; W919-L940 HydrophobicContact CG-CD2 4.12Å; L940-V943 WeakPolarHBondContact O-CB 3.1Å; L940-V943 PolarHBondContact O-N 2.95Å; L940-V944 WeakPolarHBondContact O-CB 3.37Å; L940-V944 VanDerWaalsContact O-CG2 3.28Å; L940-V944 WeakPolarHBondContact O-CG2 3.32Å; L940-V944 PolarHBondContact O-N 3.44Å; L940-M972 HydrophobicContact CD2-SD 4.36Å |
| 941 | E | 77.6 | Confident | 82.7 | Confident | 129 Ų | 129 | 56.6 Ų | 56.6 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.6 | -43.7 | 176.9 | -61.7 | 153.4 | 145.9 | 0 | 0 | 111.2 | T939 V944 H945 | T939-E941 PolarHBondContact O-N 2.79Å; E941-V944 PolarHBondContact O-N 3.08Å; E941-H945 PolarHBondContact O-CD2 3.35Å; E941-H945 VanDerWaalsContact O-CD2 3.32Å |
| 942 | A | 79.4 | Confident | 82.3 | Confident | 33 Ų | 33 | 56.4 Ų | 56.4 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y937 T939 V944 H945 | Y937-A942 HydrophobicContact CD1-CB 4Å; T939-A942 PolarHBondContact O-N 2.84Å; T939-A942 PolarHBondContact OG1-N 2.95Å; A942-V944 VanDerWaalsContact C-N 3.26Å; A942-V944 PolarHBondContact O-N 2.77Å; A942-H945 PolarHBondContact O-N 3.24Å |
| 943 | V | 85.1 | Confident | 82 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.1 | -37.4 | 174.6 | 165.8 | 0 | 0 | 0 | 0 | 112.1 | V916 W919 F932 T939 L940 H945 V946 V969 M972 | V916-V943 HydrophobicContact CB-CG2 4.33Å; V916-V943 HydrophobicContact CG1-CG2 3.75Å; V916-V943 HydrophobicContact CG2-CG2 3.58Å; W919-V943 HydrophobicContact CD2-CG1 4.42Å; W919-V943 HydrophobicContact CE3-CG1 3.96Å; W919-V943 HydrophobicContact CH2-CG1 3.31Å; W919-V943 HydrophobicContact CZ2-CG1 3.86Å; W919-V943 HydrophobicContact CZ3-CB 4.42Å; W919-V943 HydrophobicContact CZ3-CG1 3.4Å; W919-V943 VanDerWaalsContact CZ3-CG1 3.4Å; W919-V943 HydrophobicContact CZ3-CG2 4.11Å; F932-V943 HydrophobicContact CD1-CG2 3.9Å; F932-V943 HydrophobicContact CE1-CG1 4.49Å; F932-V943 HydrophobicContact CE1-CG2 3.96Å; T939-V943 PolarHBondContact O-N 3.3Å; T939-V943 VanDerWaalsContact O-N 3.13Å; L940-V943 WeakPolarHBondContact O-CB 3.1Å; L940-V943 PolarHBondContact O-N 2.95Å; V943-H945 PolarHBondContact O-N 3.28Å; V943-H945 VanDerWaalsContact O-N 3.14Å; V943-V946 VanDerWaalsContact O-CB 3.3Å; V943-V946 WeakPolarHBondContact O-CB 3.47Å; V943-V946 VanDerWaalsContact O-CG2 3.3Å; V943-V946 WeakPolarHBondContact O-CG2 3.36Å; V943-V946 PolarHBondContact O-N 3.17Å; V943-V946 VanDerWaalsContact O-N 3.12Å; V943-V969 HydrophobicContact CG1-CG2 3.98Å; V943-M972 HydrophobicContact CG1-CE 3.77Å |
| 944 | V | 83.7 | Confident | 82.2 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.9 | -19.6 | -179.7 | 155.8 | 0 | 0 | 0 | 0 | 112.8 | L940 E941 A942 M972 R973 M976 | L940-V944 WeakPolarHBondContact O-CB 3.37Å; L940-V944 VanDerWaalsContact O-CG2 3.28Å; L940-V944 WeakPolarHBondContact O-CG2 3.32Å; L940-V944 PolarHBondContact O-N 3.44Å; E941-V944 PolarHBondContact O-N 3.08Å; A942-V944 VanDerWaalsContact C-N 3.26Å; A942-V944 PolarHBondContact O-N 2.77Å; V944-M972 HydrophobicContact CG2-CB 3.84Å; V944-M972 HydrophobicContact CG2-CE 4.35Å; V944-R973 HydrophobicContact CG1-CG 3.84Å; V944-R973 PolarHBondContact O-NE 2.87Å; V944-R973 PolarHBondContact O-NH2 3.5Å; V944-M976 HydrophobicContact CB-SD 4.41Å; V944-M976 HydrophobicContact CG1-SD 4.12Å; V944-M976 HydrophobicContact CG2-SD 3.84Å |
| 945 | H | 80 | Confident | 82 | Confident | 149 Ų | 149 | 59 Ų | 59 | 69% | 0.69 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -92.6 | -10.4 | 176.1 | -71.7 | -73.3 | 0 | 0 | 0 | 115.4 | E941 A942 V943 | E941-H945 PolarHBondContact O-CD2 3.35Å; E941-H945 VanDerWaalsContact O-CD2 3.32Å; A942-H945 PolarHBondContact O-N 3.24Å; V943-H945 PolarHBondContact O-N 3.28Å; V943-H945 VanDerWaalsContact O-N 3.14Å |
| 946 | V | 86.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | trans | -53.8 | 138.6 | -177.6 | 172.3 | 0 | 0 | 0 | 0 | 112.9 | Y937 V943 D950 L951 R973 | Y937-V946 HydrophobicContact CD1-CG2 3.69Å; Y937-V946 HydrophobicContact CD2-CG2 4.42Å; Y937-V946 HydrophobicContact CE1-CG2 3.39Å; Y937-V946 HydrophobicContact CE2-CG2 4.17Å; Y937-V946 HydrophobicContact CG-CG2 4.22Å; V943-V946 VanDerWaalsContact O-CB 3.3Å; V943-V946 WeakPolarHBondContact O-CB 3.47Å; V943-V946 VanDerWaalsContact O-CG2 3.3Å; V943-V946 WeakPolarHBondContact O-CG2 3.36Å; V943-V946 PolarHBondContact O-N 3.17Å; V943-V946 VanDerWaalsContact O-N 3.12Å; V946-D950 HydrophobicContact CG1-CB 4.25Å; V946-L951 HydrophobicContact CG1-CD1 4.26Å; V946-L951 HydrophobicContact CG1-CD2 3.51Å; V946-L951 HydrophobicContact CG1-CG 3.6Å; V946-R973 PolarHBondContact O-NH2 3.2Å; V946-R973 VanDerWaalsContact O-NH2 3.07Å | ||
| 947 | N | 84.5 | Confident | 81.8 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | trans | -119.1 | 178.9 | 171.9 | 77.3 | 65 | 0 | 0 | 0 | 112.3 | E949 D950 L951 | N947-E949 WeakPolarHBondContact OD1-CA 3.3Å; N947-E949 WeakPolarHBondContact OD1-CB 3.32Å; N947-E949 PolarHBondContact OD1-N 2.92Å; N947-D950 VanDerWaalsContact CG-OD2 3.24Å; N947-D950 PolarHBondContact N-OD2 3.11Å; N947-D950 VanDerWaalsContact ND2-CG 3.26Å; N947-D950 PolarHBondContact ND2-OD1 2.59Å; N947-D950 PolarHBondContact ND2-OD2 3.32Å; N947-D950 PolarHBondContact O-N 2.77Å; N947-D950 PolarHBondContact OD1-N 3.1Å; N947-L951 PolarHBondContact O-N 2.91Å; N947-L951 VanDerWaalsContact O-N 3.17Å | ||
| 948 | Q | 82 | Confident | 81 | Confident | 87 Ų | 87 | 59.3 Ų | 59.3 | 41% | 0.407 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.2 | -32.9 | -174.3 | -167.6 | 165.4 | 5.5 | 0 | 0 | 114 | L951 A952 Q962 L966 | Q948-L951 PolarHBondContact O-N 2.8Å; Q948-A952 PolarHBondContact O-N 2.95Å; Q948-A952 VanDerWaalsContact O-N 3.13Å; Q948-Q962 HydrophobicContact CG-CB 4.49Å; Q948-L966 HydrophobicContact CB-CD1 3.77Å; Q948-L966 HydrophobicContact CG-CD1 4.03Å |
| 949 | E | 81.1 | Confident | 80.6 | Confident | 140 Ų | 140 | 60.2 Ų | 60.2 | 65% | 0.654 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.3 | -36.2 | 174.8 | -58 | -176 | 177.9 | 0 | 0 | 111.2 | N947 A952 R953 | N947-E949 WeakPolarHBondContact OD1-CA 3.3Å; N947-E949 WeakPolarHBondContact OD1-CB 3.32Å; N947-E949 PolarHBondContact OD1-N 2.92Å; E949-A952 PolarHBondContact O-N 3.33Å; E949-R953 WeakPolarHBondContact O-CB 3.48Å; E949-R953 PolarHBondContact O-N 2.83Å |
| 950 | D | 84.6 | Confident | 79.3 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 10% | 0.096 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 174.4 | -54.6 | -31.2 | 0 | 0 | 0 | 110.8 | V946 N947 A952 R953 I954 | V946-D950 HydrophobicContact CG1-CB 4.25Å; N947-D950 VanDerWaalsContact CG-OD2 3.24Å; N947-D950 PolarHBondContact N-OD2 3.11Å; N947-D950 VanDerWaalsContact ND2-CG 3.26Å; N947-D950 PolarHBondContact ND2-OD1 2.59Å; N947-D950 PolarHBondContact ND2-OD2 3.32Å; N947-D950 PolarHBondContact O-N 2.77Å; N947-D950 PolarHBondContact OD1-N 3.1Å; D950-A952 VanDerWaalsContact C-N 3.32Å; D950-A952 PolarHBondContact O-N 3.42Å; D950-R953 WeakPolarHBondContact O-CA 3.46Å; D950-R953 WeakPolarHBondContact O-CB 3.41Å; D950-R953 PolarHBondContact O-N 3.03Å; D950-R953 IonicContact OD1-CZ 3.66Å; D950-R953 IonicContact OD1-NH1 3.51Å; D950-R953 PolarHBondContact OD1-NH1 3.07Å; D950-R953 IonicContact OD1-NH2 2.94Å; D950-R953 PolarHBondContact OD1-NH2 2.9Å; D950-I954 WeakPolarHBondContact O-CG2 3.41Å; D950-I954 PolarHBondContact O-N 2.98Å |
| 951 | L | 86.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 177.1 | -66.3 | -179.2 | 0 | 0 | 0 | 112.6 | F932 V946 N947 Q948 I954 I956 Q962 I965 L966 | F932-L951 HydrophobicContact CE2-CD2 4.18Å; F932-L951 HydrophobicContact CZ-CD2 3.67Å; V946-L951 HydrophobicContact CG1-CD1 4.26Å; V946-L951 HydrophobicContact CG1-CD2 3.51Å; V946-L951 HydrophobicContact CG1-CG 3.6Å; N947-L951 PolarHBondContact O-N 2.91Å; N947-L951 VanDerWaalsContact O-N 3.17Å; Q948-L951 PolarHBondContact O-N 2.8Å; L951-I954 HydrophobicContact CD2-CD1 3.93Å; L951-I954 WeakPolarHBondContact O-CG1 3.33Å; L951-I956 HydrophobicContact CD2-CD1 4.33Å; L951-I956 WeakPolarHBondContact O-CA 3.49Å; L951-I956 WeakPolarHBondContact O-CB 3.32Å; L951-I956 PolarHBondContact O-N 2.93Å; L951-Q962 HydrophobicContact CB-CG 4.01Å; L951-Q962 HydrophobicContact CD1-CB 4.19Å; L951-I965 HydrophobicContact CD1-CB 3.97Å; L951-I965 HydrophobicContact CD1-CG2 3.69Å; L951-I965 HydrophobicContact CD2-CG2 3.82Å; L951-I965 HydrophobicContact CG-CG2 4.44Å; L951-L966 HydrophobicContact CD1-CD1 4.2Å; L951-L966 HydrophobicContact CD1-CD2 3.95Å; L951-L966 HydrophobicContact CD1-CG 3.66Å |
| 952 | A | 80.4 | Confident | 79.5 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q948 E949 D950 I954 G955 | Q948-A952 PolarHBondContact O-N 2.95Å; Q948-A952 VanDerWaalsContact O-N 3.13Å; E949-A952 PolarHBondContact O-N 3.33Å; D950-A952 VanDerWaalsContact C-N 3.32Å; D950-A952 PolarHBondContact O-N 3.42Å; A952-I954 VanDerWaalsContact C-N 3.34Å; A952-I954 PolarHBondContact O-N 2.78Å; A952-G955 PolarHBondContact O-N 3.29Å; A952-G955 VanDerWaalsContact O-N 3.12Å |
| 953 | R | 81.6 | Confident | 79.1 | Confident | 165 Ų | 165 | 55 Ų | 55 | 62% | 0.623 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.3 | -32.2 | -179.2 | -159.7 | -177.4 | -53.4 | 113.9 | 9.5 | 113.3 | E949 D950 G955 | E949-R953 WeakPolarHBondContact O-CB 3.48Å; E949-R953 PolarHBondContact O-N 2.83Å; D950-R953 WeakPolarHBondContact O-CA 3.46Å; D950-R953 WeakPolarHBondContact O-CB 3.41Å; D950-R953 PolarHBondContact O-N 3.03Å; D950-R953 IonicContact OD1-CZ 3.66Å; D950-R953 IonicContact OD1-NH1 3.51Å; D950-R953 PolarHBondContact OD1-NH1 3.07Å; D950-R953 IonicContact OD1-NH2 2.94Å; D950-R953 PolarHBondContact OD1-NH2 2.9Å; R953-G955 PolarHBondContact O-N 2.87Å |
| 954 | I | 86.4 | Confident | 78.6 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 11% | 0.108 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 11.7 | 175.2 | 73.2 | 177.3 | 0 | 0 | 0 | 113.4 | N931 F932 A935 Y937 D950 L951 A952 I956 | N931-I954 WeakPolarHBondContact CB-O 3.15Å; N931-I954 PolarHBondContact ND2-O 3.01Å; F932-I954 HydrophobicContact CD2-CD1 3.76Å; F932-I954 HydrophobicContact CE1-CD1 4.42Å; F932-I954 HydrophobicContact CE2-CD1 3.69Å; F932-I954 HydrophobicContact CG-CD1 4.19Å; F932-I954 HydrophobicContact CZ-CD1 4.02Å; A935-I954 HydrophobicContact CB-CB 4.04Å; A935-I954 HydrophobicContact CB-CG2 3.22Å; Y937-I954 HydrophobicContact CD2-CG2 4.45Å; Y937-I954 HydrophobicContact CE2-CG2 4.07Å; D950-I954 WeakPolarHBondContact O-CG2 3.41Å; D950-I954 PolarHBondContact O-N 2.98Å; L951-I954 HydrophobicContact CD2-CD1 3.93Å; L951-I954 WeakPolarHBondContact O-CG1 3.33Å; A952-I954 VanDerWaalsContact C-N 3.34Å; A952-I954 PolarHBondContact O-N 2.78Å; I954-I956 HydrophobicContact CD1-CD1 3.95Å; I954-I956 HydrophobicContact CD1-CG1 4.45Å; I954-I956 HydrophobicContact CG1-CD1 4.15Å; I954-I956 HydrophobicContact CG1-CG1 4.1Å |
| 955 | G | 74.7 | Confident | 78.6 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A952 R953 T957 | A952-G955 PolarHBondContact O-N 3.29Å; A952-G955 VanDerWaalsContact O-N 3.12Å; R953-G955 PolarHBondContact O-N 2.87Å; G955-T957 VanDerWaalsContact C-N 3.31Å; G955-T957 PolarHBondContact O-N 2.86Å |
| 956 | I | 84.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -86.5 | 78.4 | 175.5 | -53.5 | 179.2 | 0 | 0 | 0 | 108.3 | Y928 F932 L951 I954 H961 Q962 I965 | Y928-I956 HydrophobicContact CD1-CD1 3.98Å; Y928-I956 HydrophobicContact CD1-CG1 3.68Å; Y928-I956 HydrophobicContact CD2-CD1 3.95Å; Y928-I956 HydrophobicContact CD2-CG1 4.3Å; Y928-I956 HydrophobicContact CE1-CG1 3.9Å; Y928-I956 HydrophobicContact CE1-CG2 4.49Å; Y928-I956 HydrophobicContact CE2-CG1 4.5Å; Y928-I956 HydrophobicContact CE2-CG2 4.13Å; Y928-I956 HydrophobicContact CG-CD1 3.65Å; Y928-I956 HydrophobicContact CG-CG1 3.89Å; F932-I956 HydrophobicContact CD2-CD1 4.25Å; F932-I956 HydrophobicContact CE2-CD1 3.63Å; L951-I956 HydrophobicContact CD2-CD1 4.33Å; L951-I956 WeakPolarHBondContact O-CA 3.49Å; L951-I956 WeakPolarHBondContact O-CB 3.32Å; L951-I956 PolarHBondContact O-N 2.93Å; I954-I956 HydrophobicContact CD1-CD1 3.95Å; I954-I956 HydrophobicContact CD1-CG1 4.45Å; I954-I956 HydrophobicContact CG1-CD1 4.15Å; I954-I956 HydrophobicContact CG1-CG1 4.1Å; I956-H961 HydrophobicContact CG2-CB 3.72Å; I956-Q962 HydrophobicContact CG2-CG 4.28Å; I956-Q962 VanDerWaalsContact O-CG 3.3Å; I956-Q962 WeakPolarHBondContact O-CG 3.34Å; I956-Q962 PolarHBondContact O-NE2 3.24Å; I956-I965 HydrophobicContact CD1-CD1 3.68Å; I956-I965 HydrophobicContact CG2-CD1 4.34Å | ||
| 957 | T | 73.9 | Confident | 78.2 | Confident | 115 Ų | 115 | 54 Ų | 54 | 71% | 0.706 | 30% | 0.295 | S | S | * | . | trans | -74 | -24.6 | -177.7 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | G955 I959 | G955-T957 VanDerWaalsContact C-N 3.31Å; G955-T957 PolarHBondContact O-N 2.86Å; T957-I959 PolarHBondContact O-N 2.61Å | ||
| 958 | A | 70.3 | Confident | 78 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 20% | 0.198 | 28% | 0.283 | C | S | . | . | trans | -72 | 111.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T960 H961 Q962 | A958-T960 PolarHBondContact O-N 3.19Å; A958-H961 HydrophobicContact CB-CB 4.17Å; A958-H961 WeakPolarHBondContact O-CA 3.21Å; A958-H961 WeakPolarHBondContact O-CB 3.48Å; A958-H961 PolarHBondContact O-N 3.12Å; A958-Q962 PolarHBondContact O-N 2.72Å | ||
| 959 | I | 70 | Confident | 78.1 | Confident | 104 Ų | 104 | 47.3 Ų | 47.3 | 53% | 0.533 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.6 | -33.9 | -176.7 | -65.2 | 167.3 | 0 | 0 | 0 | 112.1 | T957 Q962 N963 | T957-I959 PolarHBondContact O-N 2.61Å; I959-Q962 PolarHBondContact O-N 3.47Å; I959-N963 WeakPolarHBondContact O-CB 3.31Å; I959-N963 PolarHBondContact O-N 2.69Å; I959-N963 PolarHBondContact O-ND2 3.03Å |
| 960 | T | 55 | Low | 77.9 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 31% | 0.307 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 174.2 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | A958 K964 | A958-T960 PolarHBondContact O-N 3.19Å; T960-K964 WeakPolarHBondContact O-CB 3.05Å; T960-K964 PolarHBondContact O-N 2.99Å; T960-K964 VanDerWaalsContact O-N 3.15Å |
| 961 | H | 80 | Confident | 77.3 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.6 | -43.4 | 175.5 | -59.2 | 166.3 | 0 | 0 | 0 | 110.9 | M847 M925 Y928 I956 A958 N963 K964 I965 | M847-H961 WeakPolarHBondContact CG-NE2 3.23Å; M925-H961 HydrophobicContact CE-CB 4.43Å; M925-H961 HydrophobicContact SD-CB 3.91Å; Y928-H961 HydrophobicContact CE2-CB 4.07Å; Y928-H961 AromaticContact CE2-CG 3.96Å; Y928-H961 AromaticContact CE2-ND1 3.45Å; Y928-H961 WeakPolarHBondContact CE2-ND1 2.74Å; Y928-H961 AromaticContact CZ-ND1 3.57Å; Y928-H961 PolarHBondContact OH-ND1 3.12Å; I956-H961 HydrophobicContact CG2-CB 3.72Å; A958-H961 HydrophobicContact CB-CB 4.17Å; A958-H961 WeakPolarHBondContact O-CA 3.21Å; A958-H961 WeakPolarHBondContact O-CB 3.48Å; A958-H961 PolarHBondContact O-N 3.12Å; H961-N963 PolarHBondContact O-N 3.47Å; H961-K964 PolarHBondContact O-N 3.34Å; H961-I965 WeakPolarHBondContact O-CB 3.23Å; H961-I965 WeakPolarHBondContact O-CD1 3.35Å; H961-I965 VanDerWaalsContact O-CG1 3.23Å; H961-I965 WeakPolarHBondContact O-CG1 3.46Å; H961-I965 PolarHBondContact O-N 3.32Å |
| 962 | Q | 79.3 | Confident | 76.8 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.5 | -53.7 | 173.6 | -64.9 | 177.5 | -4.2 | 0 | 0 | 111.3 | Q948 L951 I956 A958 I959 K964 I965 L966 | Q948-Q962 HydrophobicContact CG-CB 4.49Å; L951-Q962 HydrophobicContact CB-CG 4.01Å; L951-Q962 HydrophobicContact CD1-CB 4.19Å; I956-Q962 HydrophobicContact CG2-CG 4.28Å; I956-Q962 VanDerWaalsContact O-CG 3.3Å; I956-Q962 WeakPolarHBondContact O-CG 3.34Å; I956-Q962 PolarHBondContact O-NE2 3.24Å; A958-Q962 PolarHBondContact O-N 2.72Å; I959-Q962 PolarHBondContact O-N 3.47Å; Q962-K964 VanDerWaalsContact C-N 3.34Å; Q962-K964 PolarHBondContact O-N 2.91Å; Q962-I965 PolarHBondContact O-N 3.14Å; Q962-L966 WeakPolarHBondContact O-CB 3.17Å; Q962-L966 VanDerWaalsContact O-CG 3.24Å; Q962-L966 WeakPolarHBondContact O-CG 3.39Å; Q962-L966 PolarHBondContact O-N 3.21Å |
| 963 | N | 72.4 | Confident | 76.7 | Confident | 84 Ų | 84 | 50.9 Ų | 50.9 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | -178.7 | -71 | -20.2 | 0 | 0 | 0 | 112.6 | I959 H961 L966 S967 | I959-N963 WeakPolarHBondContact O-CB 3.31Å; I959-N963 PolarHBondContact O-N 2.69Å; I959-N963 PolarHBondContact O-ND2 3.03Å; H961-N963 PolarHBondContact O-N 3.47Å; N963-L966 PolarHBondContact O-N 3.13Å; N963-S967 WeakPolarHBondContact O-CB 3.34Å; N963-S967 PolarHBondContact O-N 2.96Å; N963-S967 PolarHBondContact O-OG 3.06Å |
| 964 | K | 73.8 | Confident | 76.1 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -44 | 178.6 | -178.4 | 176.9 | 167.8 | -151.3 | 0 | 111.8 | M847 I923 K924 M925 T960 H961 Q962 S967 S968 | M847-K964 HydrophobicContact CE-CD 3.61Å; M847-K964 HydrophobicContact SD-CD 4.06Å; I923-K964 WeakPolarHBondContact O-CE 3.22Å; I923-K964 PolarHBondContact O-NZ 2.64Å; K924-K964 PolarHBondContact O-NZ 2.77Å; M925-K964 HydrophobicContact CG-CD 4.36Å; M925-K964 HydrophobicContact SD-CD 3.96Å; T960-K964 WeakPolarHBondContact O-CB 3.05Å; T960-K964 PolarHBondContact O-N 2.99Å; T960-K964 VanDerWaalsContact O-N 3.15Å; H961-K964 PolarHBondContact O-N 3.34Å; Q962-K964 VanDerWaalsContact C-N 3.34Å; Q962-K964 PolarHBondContact O-N 2.91Å; K964-S967 PolarHBondContact O-N 2.87Å; K964-S967 PolarHBondContact O-OG 2.91Å; K964-S968 PolarHBondContact O-N 2.74Å |
| 965 | I | 82.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 176 | -69.9 | 167.6 | 0 | 0 | 0 | 110.4 | W919 I923 M925 F932 L951 I956 H961 Q962 S967 S968 V969 | W919-I965 HydrophobicContact CH2-CG2 3.83Å; W919-I965 HydrophobicContact CZ2-CG2 4.39Å; I923-I965 HydrophobicContact CD1-CG1 4.02Å; M925-I965 HydrophobicContact CG-CD1 4.46Å; M925-I965 HydrophobicContact CG-CG1 4.09Å; M925-I965 HydrophobicContact SD-CD1 4.27Å; M925-I965 HydrophobicContact SD-CG1 4.19Å; F932-I965 HydrophobicContact CE2-CD1 4.25Å; F932-I965 HydrophobicContact CZ-CG2 3.87Å; L951-I965 HydrophobicContact CD1-CB 3.97Å; L951-I965 HydrophobicContact CD1-CG2 3.69Å; L951-I965 HydrophobicContact CD2-CG2 3.82Å; L951-I965 HydrophobicContact CG-CG2 4.44Å; I956-I965 HydrophobicContact CD1-CD1 3.68Å; I956-I965 HydrophobicContact CG2-CD1 4.34Å; H961-I965 WeakPolarHBondContact O-CB 3.23Å; H961-I965 WeakPolarHBondContact O-CD1 3.35Å; H961-I965 VanDerWaalsContact O-CG1 3.23Å; H961-I965 WeakPolarHBondContact O-CG1 3.46Å; H961-I965 PolarHBondContact O-N 3.32Å; Q962-I965 PolarHBondContact O-N 3.14Å; I965-S967 VanDerWaalsContact C-N 3.32Å; I965-S967 PolarHBondContact O-N 3.45Å; I965-S968 PolarHBondContact O-N 3.1Å; I965-S968 VanDerWaalsContact O-N 3.16Å; I965-V969 WeakPolarHBondContact O-CG2 3.2Å; I965-V969 PolarHBondContact O-N 2.61Å |
| 966 | L | 83.2 | Confident | 74.6 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 178 | -69.3 | 166.3 | 0 | 0 | 0 | 112.7 | Q948 L951 Q962 N963 S968 V969 Q970 | Q948-L966 HydrophobicContact CB-CD1 3.77Å; Q948-L966 HydrophobicContact CG-CD1 4.03Å; L951-L966 HydrophobicContact CD1-CD1 4.2Å; L951-L966 HydrophobicContact CD1-CD2 3.95Å; L951-L966 HydrophobicContact CD1-CG 3.66Å; Q962-L966 WeakPolarHBondContact O-CB 3.17Å; Q962-L966 VanDerWaalsContact O-CG 3.24Å; Q962-L966 WeakPolarHBondContact O-CG 3.39Å; Q962-L966 PolarHBondContact O-N 3.21Å; N963-L966 PolarHBondContact O-N 3.13Å; L966-S968 VanDerWaalsContact C-N 3.34Å; L966-S968 PolarHBondContact O-N 2.91Å; L966-V969 PolarHBondContact O-N 2.79Å; L966-Q970 WeakPolarHBondContact O-CG 3.31Å; L966-Q970 PolarHBondContact O-N 2.72Å |
| 967 | S | 75.3 | Confident | 73.4 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67 | -34.8 | 176.7 | 72.9 | 0 | 0 | 0 | 0 | 112.6 | N963 K964 I965 Q970 A971 | N963-S967 WeakPolarHBondContact O-CB 3.34Å; N963-S967 PolarHBondContact O-N 2.96Å; N963-S967 PolarHBondContact O-OG 3.06Å; K964-S967 PolarHBondContact O-N 2.87Å; K964-S967 PolarHBondContact O-OG 2.91Å; I965-S967 VanDerWaalsContact C-N 3.32Å; I965-S967 PolarHBondContact O-N 3.45Å; S967-Q970 PolarHBondContact O-N 3.31Å; S967-A971 PolarHBondContact O-N 3.39Å; S967-A971 VanDerWaalsContact O-N 3.07Å |
| 968 | S | 81.5 | Confident | 72.4 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.8 | -39.4 | 171.2 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | W919 K964 I965 L966 Q970 A971 M972 | W919-S968 PolarHBondContact NE1-OG 2.98Å; K964-S968 PolarHBondContact O-N 2.74Å; I965-S968 PolarHBondContact O-N 3.1Å; I965-S968 VanDerWaalsContact O-N 3.16Å; L966-S968 VanDerWaalsContact C-N 3.34Å; L966-S968 PolarHBondContact O-N 2.91Å; S968-Q970 VanDerWaalsContact C-N 3.28Å; S968-Q970 PolarHBondContact O-N 3.48Å; S968-A971 WeakPolarHBondContact O-CB 3.41Å; S968-A971 PolarHBondContact O-N 3.47Å; S968-A971 VanDerWaalsContact O-N 3.13Å; S968-M972 WeakPolarHBondContact O-CG 3.42Å; S968-M972 PolarHBondContact O-N 3.12Å |
| 969 | V | 83.6 | Confident | 71.4 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -40 | 171.7 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | W919 V943 I965 L966 M972 R973 | W919-V969 HydrophobicContact CH2-CG2 4.17Å; W919-V969 HydrophobicContact CZ2-CG2 4.04Å; V943-V969 HydrophobicContact CG1-CG2 3.98Å; I965-V969 WeakPolarHBondContact O-CG2 3.2Å; I965-V969 PolarHBondContact O-N 2.61Å; L966-V969 PolarHBondContact O-N 2.79Å; V969-M972 HydrophobicContact CG2-CE 4.12Å; V969-M972 PolarHBondContact O-N 3.07Å; V969-R973 WeakPolarHBondContact O-CG 3.2Å; V969-R973 PolarHBondContact O-N 2.87Å |
| 970 | Q | 76.1 | Confident | 70.5 | Confident | 120 Ų | 120 | 67.7 Ų | 67.7 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.6 | -39.4 | 173.5 | -74.1 | 175.8 | -8.6 | 0 | 0 | 112.9 | L966 S967 S968 R973 T974 | L966-Q970 WeakPolarHBondContact O-CG 3.31Å; L966-Q970 PolarHBondContact O-N 2.72Å; S967-Q970 PolarHBondContact O-N 3.31Å; S968-Q970 VanDerWaalsContact C-N 3.28Å; S968-Q970 PolarHBondContact O-N 3.48Å; Q970-R973 PolarHBondContact O-N 3.38Å; Q970-T974 PolarHBondContact O-N 3.44Å; Q970-T974 PolarHBondContact O-OG1 3.35Å |
| 971 | A | 72.9 | Confident | 70 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 45% | 0.446 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S967 S968 T974 Q975 | S967-A971 PolarHBondContact O-N 3.39Å; S967-A971 VanDerWaalsContact O-N 3.07Å; S968-A971 WeakPolarHBondContact O-CB 3.41Å; S968-A971 PolarHBondContact O-N 3.47Å; S968-A971 VanDerWaalsContact O-N 3.13Å; A971-T974 WeakPolarHBondContact O-CB 3.48Å; A971-T974 PolarHBondContact O-N 3.05Å; A971-T974 VanDerWaalsContact O-N 3.17Å; A971-Q975 PolarHBondContact O-N 3.49Å |
| 972 | M | 75.4 | Confident | 68.3 | Low | 17 Ų | 17 | 78.5 Ų | 78.5 | 8% | 0.084 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.2 | -68.4 | -172.1 | -65 | 0 | 0 | 112.3 | W919 L940 V943 V944 S968 V969 T974 Q975 M976 | W919-M972 HydrophobicContact CD2-CE 4.19Å; W919-M972 VanDerWaalsContact CE2-CE 3.45Å; W919-M972 HydrophobicContact CG-SD 4.44Å; W919-M972 HydrophobicContact CH2-CE 4.43Å; W919-M972 HydrophobicContact CZ2-CE 3.6Å; L940-M972 HydrophobicContact CD2-SD 4.36Å; V943-M972 HydrophobicContact CG1-CE 3.77Å; V944-M972 HydrophobicContact CG2-CB 3.84Å; V944-M972 HydrophobicContact CG2-CE 4.35Å; S968-M972 WeakPolarHBondContact O-CG 3.42Å; S968-M972 PolarHBondContact O-N 3.12Å; V969-M972 HydrophobicContact CG2-CE 4.12Å; V969-M972 PolarHBondContact O-N 3.07Å; M972-T974 PolarHBondContact O-N 2.98Å; M972-Q975 PolarHBondContact O-N 3.44Å; M972-M976 WeakPolarHBondContact O-CG 3.49Å; M972-M976 PolarHBondContact O-N 3.32Å |
| 973 | R | 78.6 | Confident | 66.3 | Low | 90 Ų | 90 | 86.5 Ų | 86.5 | 34% | 0.34 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -52 | -44.4 | 171.7 | -76.2 | 174.5 | -172.3 | 169.4 | 11.5 | 111.6 | V944 V946 V969 Q970 Q977 | V944-R973 HydrophobicContact CG1-CG 3.84Å; V944-R973 PolarHBondContact O-NE 2.87Å; V944-R973 PolarHBondContact O-NH2 3.5Å; V946-R973 PolarHBondContact O-NH2 3.2Å; V946-R973 VanDerWaalsContact O-NH2 3.07Å; V969-R973 WeakPolarHBondContact O-CG 3.2Å; V969-R973 PolarHBondContact O-N 2.87Å; Q970-R973 PolarHBondContact O-N 3.38Å; R973-Q977 VanDerWaalsContact O-CG 3.28Å; R973-Q977 WeakPolarHBondContact O-CG 3.11Å; R973-Q977 PolarHBondContact O-N 3.03Å; R973-Q977 VanDerWaalsContact O-N 3.15Å |
| 974 | T | 69.2 | Low | 64.5 | Low | 71 Ų | 71 | 88.9 Ų | 88.9 | 44% | 0.436 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.2 | -41.3 | -177.6 | -51.1 | 0 | 0 | 0 | 0 | 111.9 | Q970 A971 M972 Q978 | Q970-T974 PolarHBondContact O-N 3.44Å; Q970-T974 PolarHBondContact O-OG1 3.35Å; A971-T974 WeakPolarHBondContact O-CB 3.48Å; A971-T974 PolarHBondContact O-N 3.05Å; A971-T974 VanDerWaalsContact O-N 3.17Å; M972-T974 PolarHBondContact O-N 2.98Å; T974-Q978 WeakPolarHBondContact O-CG 3.49Å; T974-Q978 PolarHBondContact O-N 3.36Å; T974-Q978 VanDerWaalsContact O-N 3.12Å |
| 975 | Q | 64.5 | Low | 63 | Low | 98 Ų | 98 | 92.5 Ų | 92.5 | 46% | 0.458 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 175.6 | -77.1 | -175.3 | -43.7 | 0 | 0 | 112.8 | A971 M972 Q977 Q978 M979 | A971-Q975 PolarHBondContact O-N 3.49Å; M972-Q975 PolarHBondContact O-N 3.44Å; Q975-Q977 VanDerWaalsContact C-N 3.26Å; Q975-Q977 PolarHBondContact O-N 3.05Å; Q975-Q978 PolarHBondContact O-N 3.43Å; Q975-Q978 VanDerWaalsContact O-N 3.1Å; Q975-M979 PolarHBondContact O-N 3.37Å |
| 976 | M | 63.9 | Low | 60.7 | Low | 73 Ų | 73 | 103 Ų | 103 | 36% | 0.36 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.9 | -34.5 | 177.3 | -70.1 | -178.8 | 80.2 | 0 | 0 | 112.5 | V944 M972 M979 H980 | V944-M976 HydrophobicContact CB-SD 4.41Å; V944-M976 HydrophobicContact CG1-SD 4.12Å; V944-M976 HydrophobicContact CG2-SD 3.84Å; M972-M976 WeakPolarHBondContact O-CG 3.49Å; M972-M976 PolarHBondContact O-N 3.32Å; M976-M979 PolarHBondContact O-N 3.06Å; M976-H980 PolarHBondContact O-N 3.31Å; M976-H980 VanDerWaalsContact O-N 3.11Å; M976-H980 PolarHBondContact O-ND1 3.25Å |
| 977 | Q | 59.2 | Low | 59.6 | Low | 140 Ų | 140 | 106.7 Ų | 106.7 | 65% | 0.654 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.5 | -40.6 | 172.7 | -72.9 | 172.5 | -5.3 | 0 | 0 | 112.2 | R973 Q975 M979 H980 G981 | R973-Q977 VanDerWaalsContact O-CG 3.28Å; R973-Q977 WeakPolarHBondContact O-CG 3.11Å; R973-Q977 PolarHBondContact O-N 3.03Å; R973-Q977 VanDerWaalsContact O-N 3.15Å; Q975-Q977 VanDerWaalsContact C-N 3.26Å; Q975-Q977 PolarHBondContact O-N 3.05Å; Q977-M979 VanDerWaalsContact C-N 3.3Å; Q977-M979 PolarHBondContact O-N 3.16Å; Q977-H980 PolarHBondContact O-N 3.43Å; Q977-G981 PolarHBondContact O-N 2.98Å; Q977-G981 VanDerWaalsContact O-N 3.07Å |
| 978 | Q | 53.7 | Low | 58.8 | Low | 140 Ų | 140 | 108.8 Ų | 108.8 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65 | -31.3 | 174.3 | -73 | 179.5 | -1 | 0 | 0 | 113.1 | T974 Q975 | T974-Q978 WeakPolarHBondContact O-CG 3.49Å; T974-Q978 PolarHBondContact O-N 3.36Å; T974-Q978 VanDerWaalsContact O-N 3.12Å; Q975-Q978 PolarHBondContact O-N 3.43Å; Q975-Q978 VanDerWaalsContact O-N 3.1Å |
| 979 | M | 49.8 | Very low | 57.5 | Low | 147 Ų | 147 | 114 Ų | 114 | 72% | 0.724 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.4 | -45.6 | 173.5 | -71.7 | -179.9 | 64.2 | 0 | 0 | 112.4 | Q975 M976 Q977 G981 R982 | Q975-M979 PolarHBondContact O-N 3.37Å; M976-M979 PolarHBondContact O-N 3.06Å; Q977-M979 VanDerWaalsContact C-N 3.3Å; Q977-M979 PolarHBondContact O-N 3.16Å; M979-G981 VanDerWaalsContact C-N 3.25Å; M979-G981 PolarHBondContact O-N 3.48Å; M979-R982 PolarHBondContact O-N 3.38Å |
| 980 | H | 49.5 | Very low | 56 | Low | 153 Ų | 153 | 120.6 Ų | 120.6 | 71% | 0.708 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.5 | -27.3 | 178 | -80.2 | 81.6 | 0 | 0 | 0 | 113.2 | M976 Q977 R982 | M976-H980 PolarHBondContact O-N 3.31Å; M976-H980 VanDerWaalsContact O-N 3.11Å; M976-H980 PolarHBondContact O-ND1 3.25Å; Q977-H980 PolarHBondContact O-N 3.43Å; H980-R982 PolarHBondContact O-N 3.32Å |
| 981 | G | 45.3 | Very low | 54.7 | Low | 66 Ų | 66 | 120.7 Ų | 120.7 | 68% | 0.68 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 3.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q977 M979 | Q977-G981 PolarHBondContact O-N 2.98Å; Q977-G981 VanDerWaalsContact O-N 3.07Å; M979-G981 VanDerWaalsContact C-N 3.25Å; M979-G981 PolarHBondContact O-N 3.48Å |
| 982 | R | 43.9 | Very low | 53.5 | Low | 226 Ų | 226 | 125.1 Ų | 125.1 | 85% | 0.853 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 4.1 | -174.3 | -117.3 | 179.2 | -177.3 | -177.3 | 1 | 116.1 | M979 H980 | M979-R982 PolarHBondContact O-N 3.38Å; H980-R982 PolarHBondContact O-N 3.32Å |
| 983 | M | 37.8 | Very low | 51.9 | Low | 182 Ų | 182 | 132.9 Ų | 132.9 | 90% | 0.897 | 69% | 0.692 | S | S | * | * | trans | -103.4 | 109.8 | 169.3 | -83.8 | -177.2 | 154.9 | 0 | 0 | 111.2 | ||||
| 984 | V | 34.3 | Very low | 49.9 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | trans | -112.3 | 135.6 | 166.5 | 176.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 985 | P | 42.6 | Very low | 48.3 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | trans | -77.2 | 131.2 | -162.8 | 28.6 | -36.1 | 0 | 0 | 0 | 114.5 | ||||
| 986 | V | 34.8 | Very low | 46.8 | Very low | 219 Ų | 219 | 145.5 Ų | 145.5 | 100% | 1.327 | 77% | 0.769 | S | S | * | * | trans | -139.2 | 0 | 140.7 | -178.1 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 986 of 986 residues in 362 ms
(Link to these results)