| 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 | 54 | Low | 53.4 | Low | 244 Ų | 244 | 155.5 Ų | 155.5 | 100% | 1.202 | 82% | 0.824 | S | S | * | * | 0 | 116.6 | 0 | -71.1 | 74 | -179.4 | 0 | 0 | 108.2 | |||||
| 2 | A | 49.6 | Very low | 54 | Low | 97 Ų | 97 | 153.2 Ų | 153.2 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | -135.4 | 103.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | E4 | A2-E4 VanDerWaalsContact C-N 3.33Å; A2-E4 PolarHBondContact O-N 3.06Å | ||
| 3 | D | 55.9 | Low | 53.6 | Low | 148 Ų | 148 | 152.4 Ų | 152.4 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -69.7 | 90.6 | 172.4 | -159.3 | -98.7 | 0 | 0 | 0 | 106.8 | K5 | D3-K5 PolarHBondContact O-N 3.09Å; D3-K5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | E | 56.3 | Low | 53.9 | Low | 172 Ų | 172 | 148.5 Ų | 148.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -77.9 | 90.8 | 174 | -171.3 | 171.9 | 97.5 | 0 | 0 | 108.3 | A2 | A2-E4 VanDerWaalsContact C-N 3.33Å; A2-E4 PolarHBondContact O-N 3.06Å | ||
| 5 | K | 63 | Low | 54.5 | Low | 164 Ų | 164 | 147.7 Ų | 147.7 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -58.1 | 127 | 165.6 | -77.5 | -170.1 | 173.8 | -176.5 | 0 | 109.4 | D3 K7 | D3-K5 PolarHBondContact O-N 3.09Å; D3-K5 VanDerWaalsContact O-N 3.09Å; K5-K7 PolarHBondContact O-N 3.18Å | ||
| 6 | P | 53.1 | Low | 56.3 | Low | 123 Ų | 123 | 143.3 Ų | 143.3 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -68 | 122.8 | 174.1 | 25.3 | -28.4 | 0 | 0 | 0 | 108.7 | E8 | P6-E8 PolarHBondContact O-N 3.08Å; P6-E8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | K | 53.1 | Low | 58 | Low | 191 Ų | 191 | 138.5 Ų | 138.5 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | trans | -59.1 | 107.6 | 175.9 | -58 | 165.2 | -174.4 | 167.6 | 0 | 107.2 | K5 G9 | K5-K7 PolarHBondContact O-N 3.18Å; K7-G9 PolarHBondContact O-N 3.48Å | ||
| 8 | E | 53.2 | Low | 59.6 | Low | 193 Ų | 193 | 133.9 Ų | 133.9 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | -62.8 | 88.8 | 162.2 | -91.6 | -174.6 | 79.9 | 0 | 0 | 106.9 | P6 V10 | P6-E8 PolarHBondContact O-N 3.08Å; P6-E8 VanDerWaalsContact O-N 3.08Å; E8-V10 PolarHBondContact O-N 3.39Å; E8-V10 VanDerWaalsContact O-N 3.08Å | ||
| 9 | G | 45.5 | Very low | 61 | Low | 58 Ų | 58 | 131.8 Ų | 131.8 | 60% | 0.598 | 70% | 0.698 | S | S | * | * | trans | -55.1 | 116.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | K7 K11 | K7-G9 PolarHBondContact O-N 3.48Å; G9-K11 VanDerWaalsContact C-N 3.29Å; G9-K11 PolarHBondContact O-N 3.18Å | ||
| 10 | V | 52.4 | Low | 62.3 | Low | 135 Ų | 135 | 127.7 Ų | 127.7 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | trans | -56.9 | 98.9 | 169.8 | 80 | 0 | 0 | 0 | 0 | 106.6 | E8 T12 | E8-V10 PolarHBondContact O-N 3.39Å; E8-V10 VanDerWaalsContact O-N 3.08Å; V10-T12 VanDerWaalsContact C-N 3.26Å; V10-T12 PolarHBondContact O-N 3.08Å; V10-T12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | K | 51.6 | Low | 63.4 | Low | 186 Ų | 186 | 127.8 Ų | 127.8 | 81% | 0.809 | 67% | 0.67 | S | S | * | * | trans | -82.9 | 86.6 | 168.7 | -74.4 | -173 | 174.9 | -170.3 | 0 | 105.9 | G9 E13 | G9-K11 VanDerWaalsContact C-N 3.29Å; G9-K11 PolarHBondContact O-N 3.18Å; K11-E13 PolarHBondContact O-N 3.42Å; K11-E13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | T | 60.1 | Low | 64.9 | Low | 127 Ų | 127 | 118 Ų | 118 | 78% | 0.779 | 62% | 0.624 | S | S | * | * | trans | -44.8 | 113.6 | 143.4 | -48.3 | 0 | 0 | 0 | 0 | 105.8 | V10 | V10-T12 VanDerWaalsContact C-N 3.26Å; V10-T12 PolarHBondContact O-N 3.08Å; V10-T12 VanDerWaalsContact O-N 3.13Å | ||
| 13 | E | 48.7 | Very low | 66.6 | Low | 143 Ų | 143 | 117.1 Ų | 117.1 | 67% | 0.668 | 62% | 0.617 | S | S | * | * | trans | 166.9 | 121.4 | 155.6 | -177 | 163.2 | 91.4 | 0 | 0 | 111.5 | K11 | K11-E13 PolarHBondContact O-N 3.42Å; K11-E13 VanDerWaalsContact O-N 3.13Å | ||
| 14 | N | 58 | Low | 67.8 | Low | 98 Ų | 98 | 110.7 Ų | 110.7 | 52% | 0.524 | 59% | 0.586 | S | S | . | * | trans | 63.4 | 86.9 | 158 | -57.1 | -18 | 0 | 0 | 0 | 117 | D16 H17 | N14-D16 PolarHBondContact O-N 2.82Å; N14-H17 PolarHBondContact O-N 2.78Å | ||
| 15 | N | 63.8 | Low | 68.9 | Low | 137 Ų | 137 | 112.6 Ų | 112.6 | 73% | 0.733 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | -3.9 | 165.2 | -111.3 | -82.3 | 0 | 0 | 0 | 114.7 | R36 | N15-R36 WeakPolarHBondContact O-CD 3.44Å; N15-R36 PolarHBondContact O-NH1 2.73Å; N15-R36 PolarHBondContact OD1-NH1 2.99Å |
| 16 | D | 83.2 | Confident | 69.7 | Low | 76 Ų | 76 | 112.2 Ų | 112.2 | 41% | 0.406 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | -25.2 | 176.4 | -167.7 | -110.5 | 0 | 0 | 0 | 112.6 | N14 K35 R36 | N14-D16 PolarHBondContact O-N 2.82Å; D16-K35 CarbonylContact O-C 3.51Å; D16-K35 VanDerWaalsContact O-CA 3.25Å; D16-K35 WeakPolarHBondContact O-CA 3.31Å; D16-K35 WeakPolarHBondContact OD1-CG 3.5Å; D16-R36 PolarHBondContact O-N 3.15Å |
| 17 | H | 84.1 | Confident | 71 | Confident | 62 Ų | 62 | 109.3 Ų | 109.3 | 29% | 0.287 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.4 | 146.3 | -174.3 | -60.4 | 74.3 | 0 | 0 | 0 | 112.7 | N14 K33 I34 K35 | N14-H17 PolarHBondContact O-N 2.78Å; H17-K33 HydrophobicContact CB-CG 4.41Å; H17-I34 CarbonylContact C-O 3.41Å; H17-I34 WeakPolarHBondContact CA-O 3.39Å; H17-I34 WeakPolarHBondContact CB-O 3.41Å; H17-K35 VanDerWaalsContact NE2-CG 3.34Å; H17-K35 WeakPolarHBondContact NE2-CG 3.44Å |
| 18 | I | 88.1 | Confident | 72.3 | Confident | 56 Ų | 56 | 102.6 Ų | 102.6 | 29% | 0.287 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120 | 140.7 | 176.1 | 51.6 | 177.4 | 0 | 0 | 0 | 109.8 | L20 K33 I34 R36 | I18-L20 HydrophobicContact CB-CD1 4.16Å; I18-L20 HydrophobicContact CD1-CD1 3.72Å; I18-L20 HydrophobicContact CG1-CD1 3.86Å; I18-K33 WeakPolarHBondContact O-CA 3.48Å; I18-I34 HydrophobicContact CD1-CD1 4.01Å; I18-I34 HydrophobicContact CD1-CG1 3.89Å; I18-I34 HydrophobicContact CG1-CD1 4.21Å; I18-I34 HydrophobicContact CG1-CG1 3.53Å; I18-I34 PolarHBondContact N-O 3.01Å; I18-I34 PolarHBondContact O-N 3.3Å; I18-R36 HydrophobicContact CG2-CG 3.5Å; I18-R36 VanDerWaalsContact CG2-CG 3.5Å |
| 19 | N | 85.9 | Confident | 73.7 | Confident | 95 Ų | 95 | 96 Ų | 96 | 51% | 0.508 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124.3 | 174.3 | -61.3 | -81.9 | 0 | 0 | 0 | 108.7 | F32 | N19-F32 CarbonylContact C-O 3.49Å; N19-F32 VanDerWaalsContact CA-O 3.31Å; N19-F32 WeakPolarHBondContact CA-O 2.82Å |
| 20 | L | 86.4 | Confident | 75.4 | Confident | 49 Ų | 49 | 94.5 Ų | 94.5 | 26% | 0.257 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 142.2 | 174.9 | -88.6 | 79.2 | 0 | 0 | 0 | 109.9 | I18 Q31 F32 L40 L43 | I18-L20 HydrophobicContact CB-CD1 4.16Å; I18-L20 HydrophobicContact CD1-CD1 3.72Å; I18-L20 HydrophobicContact CG1-CD1 3.86Å; L20-Q31 WeakPolarHBondContact O-CA 3.5Å; L20-F32 HydrophobicContact CB-CB 4.47Å; L20-F32 PolarHBondContact N-O 3.27Å; L20-F32 PolarHBondContact O-N 2.77Å; L20-L40 HydrophobicContact CD2-CD2 3.72Å; L20-L43 HydrophobicContact CB-CD2 4.3Å; L20-L43 HydrophobicContact CD2-CD2 3.55Å |
| 21 | K | 86.4 | Confident | 76.9 | Confident | 129 Ų | 129 | 90.5 Ų | 90.5 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.6 | 170.5 | -75.3 | -176.1 | 170.8 | -173.2 | 0 | 109 | V30 Q31 | K21-V30 WeakPolarHBondContact CA-O 3.2Å; K21-Q31 HydrophobicContact CG-CB 4.24Å; K21-Q31 HydrophobicContact CG-CG 3.97Å |
| 22 | V | 84.9 | Confident | 78.5 | Confident | 39 Ų | 39 | 81.7 Ų | 81.7 | 24% | 0.236 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.4 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | V29 V30 F32 Y47 | V22-V29 WeakPolarHBondContact O-CA 3.44Å; V22-V30 PolarHBondContact N-O 2.8Å; V22-V30 PolarHBondContact O-N 3.14Å; V22-F32 HydrophobicContact CB-CE2 4.23Å; V22-F32 HydrophobicContact CG2-CD2 3.92Å; V22-F32 HydrophobicContact CG2-CE2 3.77Å; V22-Y47 HydrophobicContact CB-CD2 4.31Å; V22-Y47 HydrophobicContact CB-CE2 4.13Å; V22-Y47 HydrophobicContact CG1-CD1 4.39Å; V22-Y47 HydrophobicContact CG1-CD2 3.93Å; V22-Y47 HydrophobicContact CG1-CE1 4.09Å; V22-Y47 HydrophobicContact CG1-CE2 3.59Å; V22-Y47 HydrophobicContact CG1-CG 4.31Å |
| 23 | A | 84.3 | Confident | 79.7 | Confident | 78 Ų | 78 | 79.7 Ų | 79.7 | 65% | 0.645 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 24 | G | 82.5 | Confident | 81.5 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 14% | 0.144 | 41% | 0.407 | C | S | . | . | trans | -79.3 | 161.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D26 G27 S28 Y47 | G24-D26 PolarHBondContact O-N 3.33Å; G24-G27 PolarHBondContact O-N 3.13Å; G24-G27 VanDerWaalsContact O-N 3.14Å; G24-S28 PolarHBondContact N-O 2.82Å; G24-Y47 WeakPolarHBondContact CA-OH 3.35Å | ||
| 25 | Q | 79 | Confident | 82.9 | Confident | 212 Ų | 212 | 73 Ų | 73 | 99% | 0.991 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -27.8 | 179.2 | -67.1 | 179.4 | -13.8 | 0 | 0 | 113 | G27 | Q25-G27 PolarHBondContact O-N 3.13Š|
| 26 | D | 79.8 | Confident | 83.9 | Confident | 155 Ų | 155 | 73.6 Ų | 73.6 | 83% | 0.829 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 3.4 | 176.9 | -166.5 | -118 | 0 | 0 | 0 | 113.1 | G24 S28 | G24-D26 PolarHBondContact O-N 3.33Å; D26-S28 PolarHBondContact O-N 2.78Å |
| 27 | G | 79.4 | Confident | 84 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 80.6 | 1.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G24 Q25 | G24-G27 PolarHBondContact O-N 3.13Å; G24-G27 VanDerWaalsContact O-N 3.14Å; Q25-G27 PolarHBondContact O-N 3.13Å |
| 28 | S | 81.1 | Confident | 84.1 | Confident | 50 Ų | 50 | 75.2 Ų | 75.2 | 35% | 0.35 | 40% | 0.4 | S | S | . | . | trans | -67.1 | 135.8 | 171.3 | 57 | 0 | 0 | 0 | 0 | 111.1 | G24 D26 | G24-S28 PolarHBondContact N-O 2.82Å; D26-S28 PolarHBondContact O-N 2.78Å | ||
| 29 | V | 81.4 | Confident | 84 | Confident | 56 Ų | 56 | 75.6 Ų | 75.6 | 34% | 0.339 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.2 | 177.2 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | V22 | V22-V29 WeakPolarHBondContact O-CA 3.44Å |
| 30 | V | 82.3 | Confident | 84 | Confident | 25 Ų | 25 | 75.1 Ų | 75.1 | 15% | 0.152 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.3 | 176.7 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | K21 V22 F32 Y47 V62 | K21-V30 WeakPolarHBondContact CA-O 3.2Å; V22-V30 PolarHBondContact N-O 2.8Å; V22-V30 PolarHBondContact O-N 3.14Å; V30-F32 HydrophobicContact CB-CE2 3.92Å; V30-F32 HydrophobicContact CG1-CD2 3.97Å; V30-F32 HydrophobicContact CG1-CE1 4.44Å; V30-F32 HydrophobicContact CG1-CE2 3.35Å; V30-F32 HydrophobicContact CG1-CZ 3.64Å; V30-Y47 HydrophobicContact CB-CD2 4.45Å; V30-Y47 HydrophobicContact CB-CE2 4.21Å; V30-Y47 HydrophobicContact CG2-CD2 4.45Å; V30-Y47 HydrophobicContact CG2-CE2 3.93Å; V30-V62 HydrophobicContact CG1-CG1 3.31Å |
| 31 | Q | 84 | Confident | 83.9 | Confident | 51 Ų | 51 | 76 Ų | 76 | 24% | 0.238 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.8 | 176.4 | -171.8 | 169.6 | 1.3 | 0 | 0 | 110.7 | L20 K21 F63 | L20-Q31 WeakPolarHBondContact O-CA 3.5Å; K21-Q31 HydrophobicContact CG-CB 4.24Å; K21-Q31 HydrophobicContact CG-CG 3.97Å; Q31-F63 PolarHBondContact N-O 2.86Å; Q31-F63 VanDerWaalsContact N-O 3.15Å; Q31-F63 PolarHBondContact O-N 3.12Å |
| 32 | F | 84.8 | Confident | 83.8 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.009 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 144.2 | -180 | -66.7 | -92.1 | 0 | 0 | 0 | 110.3 | N19 L20 V22 V30 L43 Y47 I60 V62 | N19-F32 CarbonylContact C-O 3.49Å; N19-F32 VanDerWaalsContact CA-O 3.31Å; N19-F32 WeakPolarHBondContact CA-O 2.82Å; L20-F32 HydrophobicContact CB-CB 4.47Å; L20-F32 PolarHBondContact N-O 3.27Å; L20-F32 PolarHBondContact O-N 2.77Å; V22-F32 HydrophobicContact CB-CE2 4.23Å; V22-F32 HydrophobicContact CG2-CD2 3.92Å; V22-F32 HydrophobicContact CG2-CE2 3.77Å; V30-F32 HydrophobicContact CB-CE2 3.92Å; V30-F32 HydrophobicContact CG1-CD2 3.97Å; V30-F32 HydrophobicContact CG1-CE1 4.44Å; V30-F32 HydrophobicContact CG1-CE2 3.35Å; V30-F32 HydrophobicContact CG1-CZ 3.64Å; F32-L43 HydrophobicContact CB-CD1 3.7Å; F32-L43 HydrophobicContact CD1-CD1 3.09Å; F32-L43 HydrophobicContact CD2-CD1 3.44Å; F32-L43 VanDerWaalsContact CD2-CD1 3.44Å; F32-L43 HydrophobicContact CE1-CD1 3.32Å; F32-L43 HydrophobicContact CE2-CD1 3.65Å; F32-L43 HydrophobicContact CG-CD1 3.12Å; F32-L43 HydrophobicContact CG-CG 4.5Å; F32-L43 HydrophobicContact CZ-CD1 3.59Å; F32-Y47 HydrophobicContact CE2-CD2 4.02Å; F32-Y47 HydrophobicContact CZ-CD2 4.01Å; F32-I60 HydrophobicContact CD1-CG2 3.58Å; F32-I60 HydrophobicContact CE1-CG2 4.07Å; F32-V62 HydrophobicContact CD1-CG2 3.74Å; F32-V62 HydrophobicContact CE1-CB 4.37Å; F32-V62 HydrophobicContact CE1-CG1 4.2Å; F32-V62 HydrophobicContact CE1-CG2 3.41Å; F32-V62 VanDerWaalsContact CE1-CG2 3.41Å; F32-V62 HydrophobicContact CZ-CG1 4.39Å; F32-V62 HydrophobicContact CZ-CG2 4.32Å |
| 33 | K | 85.9 | Confident | 83.7 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 37% | 0.365 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 114.2 | 169.9 | -174.7 | 179.6 | -179.5 | -175.5 | 0 | 107.8 | H17 I18 | H17-K33 HydrophobicContact CB-CG 4.41Å; I18-K33 WeakPolarHBondContact O-CA 3.48Å |
| 34 | I | 86.9 | Confident | 83.7 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.041 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 161.6 | -176.7 | 64.8 | 173.5 | 0 | 0 | 0 | 110.8 | H17 I18 T38 L40 I60 | H17-I34 CarbonylContact C-O 3.41Å; H17-I34 WeakPolarHBondContact CA-O 3.39Å; H17-I34 WeakPolarHBondContact CB-O 3.41Å; I18-I34 HydrophobicContact CD1-CD1 4.01Å; I18-I34 HydrophobicContact CD1-CG1 3.89Å; I18-I34 HydrophobicContact CG1-CD1 4.21Å; I18-I34 HydrophobicContact CG1-CG1 3.53Å; I18-I34 PolarHBondContact N-O 3.01Å; I18-I34 PolarHBondContact O-N 3.3Å; I34-T38 HydrophobicContact CB-CG2 4.49Å; I34-L40 HydrophobicContact CD1-CD2 3.81Å; I34-I60 HydrophobicContact CG2-CG2 4.22Å |
| 35 | K | 86.8 | Confident | 83.7 | Confident | 92 Ų | 92 | 80.3 Ų | 80.3 | 40% | 0.4 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 151.2 | 170.8 | -64.4 | -178.1 | -178 | 177.1 | 0 | 110.4 | D16 H17 H37 T38 | D16-K35 CarbonylContact O-C 3.51Å; D16-K35 VanDerWaalsContact O-CA 3.25Å; D16-K35 WeakPolarHBondContact O-CA 3.31Å; D16-K35 WeakPolarHBondContact OD1-CG 3.5Å; H17-K35 VanDerWaalsContact NE2-CG 3.34Å; H17-K35 WeakPolarHBondContact NE2-CG 3.44Å; K35-H37 PolarHBondContact O-N 2.75Å; K35-T38 WeakPolarHBondContact CB-OG1 3.32Å; K35-T38 VanDerWaalsContact O-CB 3.25Å; K35-T38 WeakPolarHBondContact O-CB 3.16Å; K35-T38 PolarHBondContact O-N 2.94Å; K35-T38 PolarHBondContact O-OG1 2.85Å |
| 36 | R | 84.9 | Confident | 83.7 | Confident | 150 Ų | 150 | 71.4 Ų | 71.4 | 57% | 0.566 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.3 | -178.1 | -82.5 | 174.6 | 84.6 | 167.4 | 4.7 | 114.2 | N15 D16 I18 T38 | N15-R36 WeakPolarHBondContact O-CD 3.44Å; N15-R36 PolarHBondContact O-NH1 2.73Å; N15-R36 PolarHBondContact OD1-NH1 2.99Å; D16-R36 PolarHBondContact O-N 3.15Å; I18-R36 HydrophobicContact CG2-CG 3.5Å; I18-R36 VanDerWaalsContact CG2-CG 3.5Å; R36-T38 VanDerWaalsContact C-N 3.33Å |
| 37 | H | 84.6 | Confident | 83.8 | Confident | 140 Ų | 140 | 66 Ų | 66 | 65% | 0.648 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -6.1 | 178.9 | 71.5 | -91.5 | 0 | 0 | 0 | 112.6 | K35 | K35-H37 PolarHBondContact O-N 2.75Š|
| 38 | T | 85.8 | Confident | 83.7 | Confident | 32 Ų | 32 | 66 Ų | 66 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -68.9 | 126.3 | 178.5 | -56.7 | 0 | 0 | 0 | 0 | 109.1 | I34 K35 R36 L40 | I34-T38 HydrophobicContact CB-CG2 4.49Å; K35-T38 WeakPolarHBondContact CB-OG1 3.32Å; K35-T38 VanDerWaalsContact O-CB 3.25Å; K35-T38 WeakPolarHBondContact O-CB 3.16Å; K35-T38 PolarHBondContact O-N 2.94Å; K35-T38 PolarHBondContact O-OG1 2.85Å; R36-T38 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 3.4Å |
| 39 | P | 87.9 | Confident | 83.2 | Confident | 64 Ų | 64 | 66 Ų | 66 | 42% | 0.416 | 33% | 0.329 | S | S | . | . | trans | -66.6 | 130.7 | 179 | 26.2 | -33.5 | 0 | 0 | 0 | 110.9 | S41 K42 | P39-S41 PolarHBondContact O-N 3.2Å; P39-S41 VanDerWaalsContact O-N 3.09Å; P39-K42 HydrophobicContact CG-CD 4.21Å; P39-K42 HydrophobicContact CG-CG 4.15Å; P39-K42 PolarHBondContact O-N 2.91Å; P39-K42 VanDerWaalsContact O-N 3.07Å | ||
| 40 | L | 84.5 | Confident | 82.6 | Confident | 85 Ų | 85 | 71 Ų | 71 | 45% | 0.445 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.5 | -18.1 | 179.1 | -64.9 | 176.5 | 0 | 0 | 0 | 113.5 | L20 I34 T38 K42 L43 M44 | L20-L40 HydrophobicContact CD2-CD2 3.72Å; I34-L40 HydrophobicContact CD1-CD2 3.81Å; T38-L40 PolarHBondContact O-N 3.4Å; L40-K42 VanDerWaalsContact C-N 3.29Å; L40-K42 PolarHBondContact O-N 3.03Å; L40-L43 HydrophobicContact CD2-CD2 4.2Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 2.99Å; L40-M44 PolarHBondContact O-N 3.49Å |
| 41 | S | 85.8 | Confident | 81.9 | Confident | 68 Ų | 68 | 75.7 Ų | 75.7 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -33.9 | 173.6 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | P39 L43 M44 K45 | P39-S41 PolarHBondContact O-N 3.2Å; P39-S41 VanDerWaalsContact O-N 3.09Å; S41-L43 VanDerWaalsContact C-N 3.34Å; S41-M44 PolarHBondContact O-N 3.11Å; S41-K45 WeakPolarHBondContact O-CB 3.33Å; S41-K45 VanDerWaalsContact O-CG 3.32Å; S41-K45 WeakPolarHBondContact O-CG 3.25Å; S41-K45 PolarHBondContact O-N 2.81Å |
| 42 | K | 83.6 | Confident | 80.6 | Confident | 72 Ų | 72 | 79 Ų | 79 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 173.1 | -73.7 | -173.2 | -179.2 | -174.7 | 0 | 111.4 | P39 L40 K45 A46 D58 I60 | P39-K42 HydrophobicContact CG-CD 4.21Å; P39-K42 HydrophobicContact CG-CG 4.15Å; P39-K42 PolarHBondContact O-N 2.91Å; P39-K42 VanDerWaalsContact O-N 3.07Å; L40-K42 VanDerWaalsContact C-N 3.29Å; L40-K42 PolarHBondContact O-N 3.03Å; K42-K45 PolarHBondContact O-N 3.43Å; K42-A46 VanDerWaalsContact O-CB 3.27Å; K42-A46 WeakPolarHBondContact O-CB 3.49Å; K42-A46 PolarHBondContact O-N 2.96Å; K42-D58 WeakPolarHBondContact CE-OD2 3.25Å; K42-D58 IonicContact NZ-OD1 2.91Å; K42-D58 PolarHBondContact NZ-OD1 3.35Å; K42-D58 IonicContact NZ-OD2 2.65Å; K42-D58 PolarHBondContact NZ-OD2 3.4Å; K42-I60 HydrophobicContact CB-CD1 4.33Å |
| 43 | L | 83.6 | Confident | 79 | Confident | 10 Ų | 10 | 87.6 Ų | 87.6 | 5% | 0.052 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 174.8 | 170.3 | 68.4 | 0 | 0 | 0 | 111.7 | L20 F32 L40 S41 K45 A46 Y47 | L20-L43 HydrophobicContact CB-CD2 4.3Å; L20-L43 HydrophobicContact CD2-CD2 3.55Å; F32-L43 HydrophobicContact CB-CD1 3.7Å; F32-L43 HydrophobicContact CD1-CD1 3.09Å; F32-L43 HydrophobicContact CD2-CD1 3.44Å; F32-L43 VanDerWaalsContact CD2-CD1 3.44Å; F32-L43 HydrophobicContact CE1-CD1 3.32Å; F32-L43 HydrophobicContact CE2-CD1 3.65Å; F32-L43 HydrophobicContact CG-CD1 3.12Å; F32-L43 HydrophobicContact CG-CG 4.5Å; F32-L43 HydrophobicContact CZ-CD1 3.59Å; L40-L43 HydrophobicContact CD2-CD2 4.2Å; L40-L43 WeakPolarHBondContact O-CB 3.44Å; L40-L43 PolarHBondContact O-N 2.99Å; S41-L43 VanDerWaalsContact C-N 3.34Å; L43-K45 VanDerWaalsContact C-N 3.34Å; L43-A46 PolarHBondContact O-N 3.09Å; L43-Y47 WeakPolarHBondContact O-CB 3.27Å; L43-Y47 PolarHBondContact O-N 3.07Å |
| 44 | M | 83.3 | Confident | 77.5 | Confident | 135 Ų | 135 | 90.3 Ų | 90.3 | 67% | 0.665 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 178.8 | -70.7 | 177.9 | 176 | 0 | 0 | 111.8 | L40 S41 C48 | L40-M44 PolarHBondContact O-N 3.49Å; S41-M44 PolarHBondContact O-N 3.11Å; M44-C48 VanDerWaalsContact O-CB 3.26Å; M44-C48 WeakPolarHBondContact O-CB 3.32Å; M44-C48 PolarHBondContact O-N 3.25Å |
| 45 | K | 83.1 | Confident | 75.8 | Confident | 134 Ų | 134 | 98.6 Ų | 98.6 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.5 | -57.6 | 171.8 | -74.4 | -178.4 | 176.3 | -166.2 | 0 | 110.3 | S41 K42 L43 Y47 C48 E49 | S41-K45 WeakPolarHBondContact O-CB 3.33Å; S41-K45 VanDerWaalsContact O-CG 3.32Å; S41-K45 WeakPolarHBondContact O-CG 3.25Å; S41-K45 PolarHBondContact O-N 2.81Å; K42-K45 PolarHBondContact O-N 3.43Å; L43-K45 VanDerWaalsContact C-N 3.34Å; K45-Y47 PolarHBondContact O-N 2.99Å; K45-Y47 VanDerWaalsContact O-N 3.11Å; K45-C48 CarbonylContact O-C 3.44Å; K45-C48 WeakPolarHBondContact O-CA 3.49Å; K45-C48 VanDerWaalsContact O-CB 3.31Å; K45-C48 WeakPolarHBondContact O-CB 3.39Å; K45-C48 PolarHBondContact O-N 3.02Å; K45-E49 WeakPolarHBondContact CB-OE2 3.18Å; K45-E49 VanDerWaalsContact O-CB 3.32Å; K45-E49 WeakPolarHBondContact O-CB 3.31Å; K45-E49 WeakPolarHBondContact O-CG 3.34Å; K45-E49 PolarHBondContact O-N 2.7Å |
| 46 | A | 78.4 | Confident | 74 | Confident | 24 Ų | 24 | 101.9 Ų | 101.9 | 20% | 0.198 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -56.5 | -34.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K42 L43 E49 R50 I60 | K42-A46 VanDerWaalsContact O-CB 3.27Å; K42-A46 WeakPolarHBondContact O-CB 3.49Å; K42-A46 PolarHBondContact O-N 2.96Å; L43-A46 PolarHBondContact O-N 3.09Å; A46-E49 WeakPolarHBondContact CA-OE2 3.26Å; A46-E49 PolarHBondContact N-OE2 3.43Å; A46-R50 WeakPolarHBondContact O-CB 3.48Å; A46-R50 PolarHBondContact O-N 3.08Å; A46-I60 HydrophobicContact CB-CD1 3.93Å |
| 47 | Y | 81.4 | Confident | 72.5 | Confident | 43 Ų | 43 | 103.9 Ų | 103.9 | 17% | 0.169 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -67.6 | -46.1 | 173.2 | -179.8 | -98.8 | 0 | 0 | 0 | 112 | V22 G24 V30 F32 L43 K45 R50 Q51 | V22-Y47 HydrophobicContact CB-CD2 4.31Å; V22-Y47 HydrophobicContact CB-CE2 4.13Å; V22-Y47 HydrophobicContact CG1-CD1 4.39Å; V22-Y47 HydrophobicContact CG1-CD2 3.93Å; V22-Y47 HydrophobicContact CG1-CE1 4.09Å; V22-Y47 HydrophobicContact CG1-CE2 3.59Å; V22-Y47 HydrophobicContact CG1-CG 4.31Å; G24-Y47 WeakPolarHBondContact CA-OH 3.35Å; V30-Y47 HydrophobicContact CB-CD2 4.45Å; V30-Y47 HydrophobicContact CB-CE2 4.21Å; V30-Y47 HydrophobicContact CG2-CD2 4.45Å; V30-Y47 HydrophobicContact CG2-CE2 3.93Å; F32-Y47 HydrophobicContact CE2-CD2 4.02Å; F32-Y47 HydrophobicContact CZ-CD2 4.01Å; L43-Y47 WeakPolarHBondContact O-CB 3.27Å; L43-Y47 PolarHBondContact O-N 3.07Å; K45-Y47 PolarHBondContact O-N 2.99Å; K45-Y47 VanDerWaalsContact O-N 3.11Å; Y47-R50 PolarHBondContact O-N 3.18Å; Y47-Q51 VanDerWaalsContact CZ-NE2 3.34Å; Y47-Q51 PolarHBondContact O-N 3.23Å; Y47-Q51 PolarHBondContact OH-NE2 2.75Å; Y47-Q51 VanDerWaalsContact OH-NE2 3.12Å |
| 48 | C | 77.3 | Confident | 71 | Confident | 61 Ų | 61 | 101.6 Ų | 101.6 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 175.4 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | M44 K45 R50 Q51 L52 | M44-C48 VanDerWaalsContact O-CB 3.26Å; M44-C48 WeakPolarHBondContact O-CB 3.32Å; M44-C48 PolarHBondContact O-N 3.25Å; K45-C48 CarbonylContact O-C 3.44Å; K45-C48 WeakPolarHBondContact O-CA 3.49Å; K45-C48 VanDerWaalsContact O-CB 3.31Å; K45-C48 WeakPolarHBondContact O-CB 3.39Å; K45-C48 PolarHBondContact O-N 3.02Å; C48-R50 PolarHBondContact O-N 2.82Å; C48-Q51 CarbonylContact O-C 3.44Å; C48-Q51 WeakPolarHBondContact O-CA 3.22Å; C48-Q51 WeakPolarHBondContact O-CB 2.99Å; C48-Q51 PolarHBondContact O-N 3.19Å; C48-Q51 VanDerWaalsContact O-N 3.08Å; C48-L52 VanDerWaalsContact O-CB 3.22Å; C48-L52 WeakPolarHBondContact O-CB 3.37Å; C48-L52 PolarHBondContact O-N 3.47Å; C48-L52 VanDerWaalsContact SG-CD1 3.55Å |
| 49 | E | 71.6 | Confident | 69.8 | Low | 50 Ų | 50 | 106.4 Ų | 106.4 | 23% | 0.234 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -68.2 | -29.3 | 178.7 | -65.6 | 174.4 | 121.7 | 0 | 0 | 112.6 | K45 A46 Q51 L52 E53 M54 | K45-E49 WeakPolarHBondContact CB-OE2 3.18Å; K45-E49 VanDerWaalsContact O-CB 3.32Å; K45-E49 WeakPolarHBondContact O-CB 3.31Å; K45-E49 WeakPolarHBondContact O-CG 3.34Å; K45-E49 PolarHBondContact O-N 2.7Å; A46-E49 WeakPolarHBondContact CA-OE2 3.26Å; A46-E49 PolarHBondContact N-OE2 3.43Å; E49-Q51 VanDerWaalsContact C-N 3.3Å; E49-L52 CarbonylContact O-C 3.47Å; E49-L52 PolarHBondContact O-N 3.49Å; E49-E53 WeakPolarHBondContact O-CA 3.48Å; E49-E53 PolarHBondContact O-N 2.88Å; E49-M54 HydrophobicContact CB-CB 4.27Å; E49-M54 WeakPolarHBondContact CB-O 3.42Å; E49-M54 HydrophobicContact CG-CB 3.87Å; E49-M54 PolarHBondContact O-N 2.81Å; E49-M54 WeakPolarHBondContact OE1-CB 3.48Å |
| 50 | R | 68.4 | Low | 68.8 | Low | 160 Ų | 160 | 105 Ų | 105 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -75.8 | -24.1 | 170.8 | -171.9 | 162.6 | -177.5 | 160.9 | -1.2 | 112.3 | A46 Y47 C48 | A46-R50 WeakPolarHBondContact O-CB 3.48Å; A46-R50 PolarHBondContact O-N 3.08Å; Y47-R50 PolarHBondContact O-N 3.18Å; C48-R50 PolarHBondContact O-N 2.82Å |
| 51 | Q | 66.5 | Low | 68.1 | Low | 125 Ų | 125 | 105.4 Ų | 105.4 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -81.5 | -21.7 | 167.2 | -71.1 | -170.7 | -1.3 | 0 | 0 | 112.9 | Y47 C48 E49 | Y47-Q51 VanDerWaalsContact CZ-NE2 3.34Å; Y47-Q51 PolarHBondContact O-N 3.23Å; Y47-Q51 PolarHBondContact OH-NE2 2.75Å; Y47-Q51 VanDerWaalsContact OH-NE2 3.12Å; C48-Q51 CarbonylContact O-C 3.44Å; C48-Q51 WeakPolarHBondContact O-CA 3.22Å; C48-Q51 WeakPolarHBondContact O-CB 2.99Å; C48-Q51 PolarHBondContact O-N 3.19Å; C48-Q51 VanDerWaalsContact O-N 3.08Å; E49-Q51 VanDerWaalsContact C-N 3.3Å |
| 52 | L | 57.4 | Low | 67.2 | Low | 121 Ų | 121 | 103.8 Ų | 103.8 | 63% | 0.634 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -130.2 | 12.9 | -168.8 | -73 | 155.2 | 0 | 0 | 0 | 115.2 | C48 E49 | C48-L52 VanDerWaalsContact O-CB 3.22Å; C48-L52 WeakPolarHBondContact O-CB 3.37Å; C48-L52 PolarHBondContact O-N 3.47Å; C48-L52 VanDerWaalsContact SG-CD1 3.55Å; E49-L52 CarbonylContact O-C 3.47Å; E49-L52 PolarHBondContact O-N 3.49Å |
| 53 | E | 52.4 | Low | 66.6 | Low | 182 Ų | 182 | 106.1 Ų | 106.1 | 85% | 0.85 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.3 | 89.3 | -175.8 | -78.3 | 174.7 | 84.8 | 0 | 0 | 116.3 | E49 | E49-E53 WeakPolarHBondContact O-CA 3.48Å; E49-E53 PolarHBondContact O-N 2.88Å |
| 54 | M | 53 | Low | 65.9 | Low | 140 Ų | 140 | 112.3 Ų | 112.3 | 69% | 0.69 | 55% | 0.553 | S | S | * | * | trans | -140.4 | 146.1 | 160.1 | -55.3 | -174 | 179.5 | 0 | 0 | 111.6 | E49 | E49-M54 HydrophobicContact CB-CB 4.27Å; E49-M54 WeakPolarHBondContact CB-O 3.42Å; E49-M54 HydrophobicContact CG-CB 3.87Å; E49-M54 PolarHBondContact O-N 2.81Å; E49-M54 WeakPolarHBondContact OE1-CB 3.48Å | ||
| 55 | E | 52.7 | Low | 65.1 | Low | 183 Ų | 183 | 110.6 Ų | 110.6 | 86% | 0.855 | 54% | 0.543 | S | S | * | . | trans | -107.1 | 138.4 | -176.8 | -87.1 | 176.3 | 74.6 | 0 | 0 | 111.3 | ||||
| 56 | D | 47.1 | Very low | 64 | Low | 160 Ų | 160 | 112.2 Ų | 112.2 | 86% | 0.856 | 55% | 0.553 | S | S | * | * | trans | -161.4 | 150.1 | 141.7 | -94.6 | -57.6 | 0 | 0 | 0 | 111.6 | D58 | D56-D58 PolarHBondContact O-N 2.82Š| ||
| 57 | E | 54.1 | Low | 63.3 | Low | 192 Ų | 192 | 116.6 Ų | 116.6 | 90% | 0.897 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -68.2 | 75.5 | -160.4 | -166.4 | 171 | 74.8 | 0 | 0 | 115.9 | ||
| 58 | D | 53.9 | Low | 62.2 | Low | 92 Ų | 92 | 118 Ų | 118 | 49% | 0.492 | 60% | 0.604 | S | S | . | * | trans | -135.1 | 114.2 | 154.9 | -79.9 | -98.2 | 0 | 0 | 0 | 108.5 | K42 D56 I60 | K42-D58 WeakPolarHBondContact CE-OD2 3.25Å; K42-D58 IonicContact NZ-OD1 2.91Å; K42-D58 PolarHBondContact NZ-OD1 3.35Å; K42-D58 IonicContact NZ-OD2 2.65Å; K42-D58 PolarHBondContact NZ-OD2 3.4Å; D56-D58 PolarHBondContact O-N 2.82Å; D58-I60 PolarHBondContact O-N 2.62Å | ||
| 59 | T | 59.4 | Low | 61.1 | Low | 133 Ų | 133 | 118.2 Ų | 118.2 | 82% | 0.816 | 62% | 0.617 | S | S | * | * | trans | -66.3 | 98.6 | -177.9 | -45.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 60 | I | 67.6 | Low | 60.5 | Low | 34 Ų | 34 | 122.7 Ų | 122.7 | 17% | 0.174 | 65% | 0.647 | C | S | . | * | trans | -99.5 | 111.4 | 167.6 | -62.7 | 174.9 | 0 | 0 | 0 | 107.2 | F32 I34 K42 A46 D58 V62 | F32-I60 HydrophobicContact CD1-CG2 3.58Å; F32-I60 HydrophobicContact CE1-CG2 4.07Å; I34-I60 HydrophobicContact CG2-CG2 4.22Å; K42-I60 HydrophobicContact CB-CD1 4.33Å; A46-I60 HydrophobicContact CB-CD1 3.93Å; D58-I60 PolarHBondContact O-N 2.62Å; I60-V62 HydrophobicContact CG2-CG2 4.12Å; I60-V62 PolarHBondContact O-N 3.31Å | ||
| 61 | D | 69.4 | Low | 59.8 | Low | 95 Ų | 95 | 129.1 Ų | 129.1 | 51% | 0.508 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 118.5 | 173.2 | -68.2 | -83.8 | 0 | 0 | 0 | 110.5 | F63 | D61-F63 HydrophobicContact CB-CE2 3.67Å; D61-F63 HydrophobicContact CB-CZ 4.02Å |
| 62 | V | 67.9 | Low | 59.5 | Low | 33 Ų | 33 | 129.4 Ų | 129.4 | 20% | 0.2 | 68% | 0.678 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 122 | -178.2 | -179 | 0 | 0 | 0 | 0 | 109.4 | V30 F32 I60 | V30-V62 HydrophobicContact CG1-CG1 3.31Å; F32-V62 HydrophobicContact CD1-CG2 3.74Å; F32-V62 HydrophobicContact CE1-CB 4.37Å; F32-V62 HydrophobicContact CE1-CG1 4.2Å; F32-V62 HydrophobicContact CE1-CG2 3.41Å; F32-V62 VanDerWaalsContact CE1-CG2 3.41Å; F32-V62 HydrophobicContact CZ-CG1 4.39Å; F32-V62 HydrophobicContact CZ-CG2 4.32Å; I60-V62 HydrophobicContact CG2-CG2 4.12Å; I60-V62 PolarHBondContact O-N 3.31Å |
| 63 | F | 71.1 | Confident | 59.6 | Low | 121 Ų | 121 | 129.8 Ų | 129.8 | 53% | 0.531 | 68% | 0.681 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.9 | 180 | -59.4 | -90.4 | 0 | 0 | 0 | 109.5 | Q31 D61 | Q31-F63 PolarHBondContact N-O 2.86Å; Q31-F63 VanDerWaalsContact N-O 3.15Å; Q31-F63 PolarHBondContact O-N 3.12Å; D61-F63 HydrophobicContact CB-CE2 3.67Å; D61-F63 HydrophobicContact CB-CZ 4.02Å |
| 64 | Q | 67.5 | Low | 60 | Low | 140 Ų | 140 | 126.9 Ų | 126.9 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.3 | 173 | -161.1 | -172.9 | 82.7 | 0 | 0 | 108.7 | ||
| 65 | Q | 65.9 | Low | 60.4 | Low | 100 Ų | 100 | 126.1 Ų | 126.1 | 47% | 0.467 | 67% | 0.67 | S | S | . | * | trans | -91.5 | 106.5 | 178.8 | -164.3 | -174.9 | -80.6 | 0 | 0 | 109 | T67 | Q65-T67 PolarHBondContact O-N 3.36Š| ||
| 66 | Q | 61.6 | Low | 60.8 | Low | 167 Ų | 167 | 122.6 Ų | 122.6 | 78% | 0.78 | 66% | 0.659 | S | S | * | * | trans | -79.7 | 104.4 | 172.6 | -59.3 | -176.3 | -12.2 | 0 | 0 | 108.7 | G68 | Q66-G68 PolarHBondContact O-N 2.65Š| ||
| 67 | T | 62.3 | Low | 61.8 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 72% | 0.718 | 65% | 0.646 | S | S | * | * | trans | -79.2 | 107 | 160.6 | 37.7 | 0 | 0 | 0 | 0 | 107 | Q65 G69 | Q65-T67 PolarHBondContact O-N 3.36Å; T67-G69 PolarHBondContact O-N 2.91Å | ||
| 68 | G | 58.6 | Low | 62.3 | Low | 71 Ų | 71 | 114.9 Ų | 114.9 | 73% | 0.732 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 121.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q66 V70 | Q66-G68 PolarHBondContact O-N 2.65Å; G68-V70 PolarHBondContact O-N 2.97Å |
| 69 | G | 55.3 | Low | 62.9 | Low | 66 Ų | 66 | 116.7 Ų | 116.7 | 68% | 0.68 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 126.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | T67 | T67-G69 PolarHBondContact O-N 2.91Š|
| 70 | V | 58.8 | Low | 63.2 | Low | 144 Ų | 144 | 115.3 Ų | 115.3 | 87% | 0.873 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 122.3 | 168.4 | -156.3 | 0 | 0 | 0 | 0 | 106.3 | G68 | G68-V70 PolarHBondContact O-N 2.97Š|
| 71 | Y | 53.1 | Low | 62.8 | Low | 296 Ų | 296 | 122.7 Ų | 122.7 | 100% | 1.161 | 66% | 0.664 | S | S | * | * | trans | -55.2 | 0 | 173.7 | -45.4 | -89.4 | 0 | 0 | 0 | 111.9 |
Retrieved 71 of 71 residues in 13.1 ms
(Link to these results)