| 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 | 40 | Very low | 48.9 | Very low | 239 Ų | 239 | 151.6 Ų | 151.6 | 100% | 1.177 | 83% | 0.833 | S | S | * | * | 0 | 93.4 | 0 | -63.7 | 165.6 | 85.9 | 0 | 0 | 107.1 | |||||
| 2 | T | 48.4 | Very low | 49.1 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -110.5 | 118.6 | -178.9 | 48.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | N | 50.6 | Low | 49.4 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -71.5 | 125.8 | 176.7 | -71 | -55.4 | 0 | 0 | 0 | 109.9 | ||||
| 4 | F | 41.2 | Very low | 49.6 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -100.1 | 107.2 | 161.8 | -79.3 | -80.7 | 0 | 0 | 0 | 108.4 | ||||
| 5 | Q | 53.7 | Low | 49.5 | Very low | 184 Ų | 184 | 134.8 Ų | 134.8 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -97.7 | 112 | 169 | -169 | 155.9 | 10.1 | 0 | 0 | 107.6 | ||||
| 6 | T | 45.7 | Very low | 49.6 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | -93.4 | 120.8 | 169.7 | 46.1 | 0 | 0 | 0 | 0 | 108.8 | T8 | T6-T8 PolarHBondContact O-N 3.45Š| ||
| 7 | P | 49.1 | Very low | 49.8 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -78.3 | 106.7 | 164.9 | 28.9 | -28.3 | 0 | 0 | 0 | 108.7 | G9 | P7-G9 PolarHBondContact O-N 3.36Š| ||
| 8 | T | 53.3 | Low | 50.2 | Low | 143 Ų | 143 | 136.8 Ų | 136.8 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -71.5 | 114.2 | 159.7 | 23.5 | 0 | 0 | 0 | 0 | 107.7 | T6 | T6-T8 PolarHBondContact O-N 3.45Š| ||
| 9 | G | 54.3 | Low | 50.7 | Low | 65 Ų | 65 | 136.3 Ų | 136.3 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | 176.2 | 61.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P7 | P7-G9 PolarHBondContact O-N 3.36Š| ||
| 10 | L | 49.8 | Very low | 51.2 | Low | 174 Ų | 174 | 137.4 Ų | 137.4 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | -141.3 | 74.2 | 155.8 | -71.9 | 179.8 | 0 | 0 | 0 | 108 | S12 | L10-S12 PolarHBondContact O-N 3.39Š| ||
| 11 | E | 51.8 | Low | 51.7 | Low | 142 Ų | 142 | 136.3 Ų | 136.3 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | -67.2 | 111.7 | 164.1 | -146.6 | -98.2 | 158.6 | 0 | 0 | 106.3 | A13 Q16 | E11-A13 PolarHBondContact O-N 3.32Å; E11-Q16 PolarHBondContact OE2-NE2 3.01Å | ||
| 12 | S | 51 | Low | 52.9 | Low | 81 Ų | 81 | 134.6 Ų | 134.6 | 57% | 0.566 | 76% | 0.755 | S | S | * | * | trans | -68.3 | 102.5 | -173.4 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | L10 V14 A15 | L10-S12 PolarHBondContact O-N 3.39Å; S12-V14 PolarHBondContact O-N 3.21Å; S12-A15 PolarHBondContact O-N 2.84Å; S12-A15 VanDerWaalsContact O-N 3.14Å | ||
| 13 | A | 53.8 | Low | 53.8 | Low | 75 Ų | 75 | 140.4 Ų | 140.4 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 1.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E11 | E11-A13 PolarHBondContact O-N 3.32Š|
| 14 | V | 51.4 | Low | 54.6 | Low | 118 Ų | 118 | 138.8 Ų | 138.8 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -24.8 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 112 | S12 Q16 | S12-V14 PolarHBondContact O-N 3.21Å; V14-Q16 VanDerWaalsContact C-N 3.31Å; V14-Q16 PolarHBondContact O-N 3.37Å |
| 15 | A | 47.8 | Very low | 56.5 | Low | 80 Ų | 80 | 132.6 Ų | 132.6 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -78.8 | -12.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S12 R17 | S12-A15 PolarHBondContact O-N 2.84Å; S12-A15 VanDerWaalsContact O-N 3.14Å; A15-R17 PolarHBondContact O-N 3.24Å |
| 16 | Q | 51.1 | Low | 58 | Low | 129 Ų | 129 | 129 Ų | 129 | 60% | 0.603 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -80.7 | 5.5 | -178 | -62.4 | -170.5 | -5.6 | 0 | 0 | 114.2 | E11 V14 | E11-Q16 PolarHBondContact OE2-NE2 3.01Å; V14-Q16 VanDerWaalsContact C-N 3.31Å; V14-Q16 PolarHBondContact O-N 3.37Å |
| 17 | R | 52.9 | Low | 60.2 | Low | 219 Ų | 219 | 129 Ų | 129 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -98.6 | 1.9 | -174.7 | -76.4 | -176.8 | 160 | 166.1 | -3.4 | 115.9 | A15 | A15-R17 PolarHBondContact O-N 3.24Š|
| 18 | A | 57.2 | Low | 62.2 | Low | 93 Ų | 93 | 127.1 Ų | 127.1 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -102.8 | 18.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 19 | T | 60.2 | Low | 64.1 | Low | 127 Ų | 127 | 129.1 Ų | 129.1 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | trans | -136 | 31.5 | -178.4 | 15.3 | 0 | 0 | 0 | 0 | 113.4 | P21 | T19-P21 WeakPolarHBondContact O-CD 3.35Š| ||
| 20 | L | 61.4 | Low | 65.9 | Low | 157 Ų | 157 | 131.2 Ų | 131.2 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -75.5 | 122.3 | 159.7 | -69.8 | 174.5 | 0 | 0 | 0 | 107.7 | R22 | L20-R22 PolarHBondContact O-N 3.22Š|
| 21 | P | 61.3 | Low | 68.1 | Low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 69% | 0.688 | S | S | * | * | trans | -58.4 | 110.3 | 175.1 | 22.8 | -30.6 | 0 | 0 | 0 | 107.3 | T19 R23 | T19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-R23 PolarHBondContact O-N 2.93Å | ||
| 22 | R | 65 | Low | 70.2 | Confident | 204 Ų | 204 | 131.3 Ų | 131.3 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | trans | -51.7 | 113.9 | 169.5 | -170.5 | 171.8 | 176.5 | -116.5 | 1.6 | 104.7 | L20 H24 | L20-R22 PolarHBondContact O-N 3.22Å; R22-H24 PolarHBondContact O-CD2 3.1Å; R22-H24 PolarHBondContact O-N 3.04Å | ||
| 23 | R | 66.3 | Low | 72.3 | Confident | 244 Ų | 244 | 128.7 Ų | 128.7 | 92% | 0.921 | 68% | 0.684 | S | S | * | * | trans | -63.1 | 95.1 | -179.5 | -68.8 | -156 | -167.2 | -125.3 | 7.2 | 106.8 | P21 S25 | P21-R23 PolarHBondContact O-N 2.93Å; R23-S25 PolarHBondContact O-N 2.88Å | ||
| 24 | H | 68.3 | Low | 74.3 | Confident | 129 Ų | 129 | 131.5 Ų | 131.5 | 60% | 0.597 | 70% | 0.696 | S | S | * | * | trans | -59 | 132.5 | 170.9 | -65.9 | -88.6 | 0 | 0 | 0 | 106.4 | R22 | R22-H24 PolarHBondContact O-CD2 3.1Å; R22-H24 PolarHBondContact O-N 3.04Å | ||
| 25 | S | 80.7 | Confident | 76.5 | Confident | 63 Ų | 63 | 129.9 Ų | 129.9 | 44% | 0.441 | 69% | 0.686 | S | S | . | * | trans | -54.8 | 147.7 | 167.2 | 68.8 | 0 | 0 | 0 | 0 | 107.5 | R23 V27 C28 | R23-S25 PolarHBondContact O-N 2.88Å; S25-V27 PolarHBondContact O-N 3.36Å; S25-C28 PolarHBondContact O-N 3.41Å; S25-C28 PolarHBondContact OG-N 2.84Å; S25-C28 PolarHBondContact OG-SG 3.08Å; S25-C28 VanDerWaalsContact OG-SG 3.39Å | ||
| 26 | S | 85.3 | Confident | 78.8 | Confident | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -12 | 177.8 | 52.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 27 | V | 92.1 | Very high | 81.1 | Confident | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.715 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -35.7 | 178.5 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | S25 R29 | S25-V27 PolarHBondContact O-N 3.36Å; V27-R29 PolarHBondContact O-N 3.49Å |
| 28 | C | 90.6 | Very high | 83.2 | Confident | 86 Ų | 86 | 125.7 Ų | 125.7 | 58% | 0.581 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -82.5 | 77 | -179.4 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | S25 | S25-C28 PolarHBondContact O-N 3.41Å; S25-C28 PolarHBondContact OG-N 2.84Å; S25-C28 PolarHBondContact OG-SG 3.08Å; S25-C28 VanDerWaalsContact OG-SG 3.39Å |
| 29 | R | 93.2 | Very high | 85.2 | Confident | 185 Ų | 185 | 122.9 Ų | 122.9 | 70% | 0.698 | 65% | 0.646 | S | S | * | * | trans | -129.5 | 145.2 | 178.6 | 60.1 | -177.8 | 172.5 | -174.4 | -2.6 | 111.3 | V27 L31 | V27-R29 PolarHBondContact O-N 3.49Å; R29-L31 HydrophobicContact CG-CD2 3.97Å; R29-L31 PolarHBondContact O-N 2.84Å | ||
| 30 | N | 92.5 | Very high | 87 | Confident | 110 Ų | 110 | 120.9 Ų | 120.9 | 59% | 0.588 | 63% | 0.63 | S | S | * | * | trans | -74.1 | 123.5 | 169.3 | -171 | -18.5 | 0 | 0 | 0 | 109.2 | F32 G33 | N30-F32 PolarHBondContact OD1-N 3.42Å; N30-F32 VanDerWaalsContact OD1-N 3.09Å; N30-G33 WeakPolarHBondContact ND2-CA 3.44Å; N30-G33 PolarHBondContact ND2-O 3.36Å; N30-G33 PolarHBondContact OD1-N 2.82Å; N30-G33 PolarHBondContact OD1-O 2.89Å | ||
| 31 | L | 95.9 | Very high | 88.7 | Confident | 119 Ų | 119 | 117 Ų | 117 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -86 | -29.8 | -176.5 | -61.1 | -179.1 | 0 | 0 | 0 | 113.2 | R29 | R29-L31 HydrophobicContact CG-CD2 3.97Å; R29-L31 PolarHBondContact O-N 2.84Å |
| 32 | F | 95.9 | Very high | 90.5 | Very high | 199 Ų | 199 | 119.5 Ų | 119.5 | 87% | 0.873 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -130.4 | 1.5 | -167.7 | -58.5 | -67.7 | 0 | 0 | 0 | 114.5 | N30 | N30-F32 PolarHBondContact OD1-N 3.42Å; N30-F32 VanDerWaalsContact OD1-N 3.09Å |
| 33 | G | 95.7 | Very high | 92.1 | Very high | 26 Ų | 26 | 115.5 Ų | 115.5 | 27% | 0.268 | 59% | 0.594 | S | S | . | * | trans | 96.6 | -178.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N30 | N30-G33 WeakPolarHBondContact ND2-CA 3.44Å; N30-G33 PolarHBondContact ND2-O 3.36Å; N30-G33 PolarHBondContact OD1-N 2.82Å; N30-G33 PolarHBondContact OD1-O 2.89Å | ||
| 34 | P | 96 | Very high | 93.6 | Very high | 133 Ų | 133 | 108.4 Ų | 108.4 | 86% | 0.864 | 57% | 0.574 | S | S | * | * | trans | -58.8 | 145.9 | -177.4 | -22.4 | 33.9 | 0 | 0 | 0 | 112.3 | ||||
| 35 | V | 96.8 | Very high | 95 | Very high | 84 Ų | 84 | 109.5 Ų | 109.5 | 51% | 0.509 | 58% | 0.577 | S | S | . | * | trans | -110.6 | 134.6 | 179.7 | 176.7 | 0 | 0 | 0 | 0 | 109.2 | H37 L40 | V35-H37 PolarHBondContact O-N 3.32Å; V35-L40 HydrophobicContact CG1-CB 4.39Å; V35-L40 HydrophobicContact CG1-CD2 3.88Å | ||
| 36 | D | 97.4 | Very high | 95.8 | Very high | 98 Ų | 98 | 109.3 Ų | 109.3 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | trans | -80 | 100.1 | 165.5 | 179.6 | -10.4 | 0 | 0 | 0 | 108.7 | D38 A39 L40 | D36-D38 VanDerWaalsContact C-N 3.29Å; D36-D38 PolarHBondContact O-N 2.98Å; D36-D38 PolarHBondContact OD1-N 2.93Å; D36-A39 HydrophobicContact CB-CB 4.02Å; D36-A39 PolarHBondContact O-N 3.21Å; D36-A39 PolarHBondContact OD1-N 3.05Å; D36-A39 VanDerWaalsContact OD1-N 3.08Å; D36-A39 WeakPolarHBondContact OD2-CB 3.39Å; D36-L40 WeakPolarHBondContact O-CB 3.37Å; D36-L40 PolarHBondContact O-N 3.4Å | ||
| 37 | H | 97.9 | Very high | 96.5 | Very high | 126 Ų | 126 | 109.2 Ų | 109.2 | 58% | 0.583 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.6 | -30.5 | -177 | -70.9 | -74.4 | 0 | 0 | 0 | 112.9 | V35 N41 | V35-H37 PolarHBondContact O-N 3.32Å; H37-N41 WeakPolarHBondContact O-CB 3.22Å; H37-N41 PolarHBondContact O-N 2.94Å; H37-N41 PolarHBondContact O-ND2 3.4Å; H37-N41 VanDerWaalsContact O-ND2 3.08Å |
| 38 | D | 98.1 | Very high | 96.7 | Very high | 117 Ų | 117 | 108.5 Ų | 108.5 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -75.6 | -39 | -179.2 | -69.5 | -28.9 | 0 | 0 | 0 | 111.3 | D36 R42 | D36-D38 VanDerWaalsContact C-N 3.29Å; D36-D38 PolarHBondContact O-N 2.98Å; D36-D38 PolarHBondContact OD1-N 2.93Å; D38-R42 WeakPolarHBondContact O-CB 3.18Å; D38-R42 VanDerWaalsContact O-CG 3.26Å; D38-R42 WeakPolarHBondContact O-CG 3.31Å; D38-R42 PolarHBondContact O-N 2.94Å; D38-R42 PolarHBondContact O-NE 3.21Å; D38-R42 VanDerWaalsContact O-NE 3.1Å |
| 39 | A | 97.9 | Very high | 97 | Very high | 34 Ų | 34 | 110.3 Ų | 110.3 | 28% | 0.281 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -48.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D36 N41 R42 E43 | D36-A39 HydrophobicContact CB-CB 4.02Å; D36-A39 PolarHBondContact O-N 3.21Å; D36-A39 PolarHBondContact OD1-N 3.05Å; D36-A39 VanDerWaalsContact OD1-N 3.08Å; D36-A39 WeakPolarHBondContact OD2-CB 3.39Å; A39-N41 PolarHBondContact O-N 3.26Å; A39-R42 PolarHBondContact O-N 3.11Å; A39-E43 PolarHBondContact O-N 3.43Å |
| 40 | L | 97.8 | Very high | 97.2 | Very high | 85 Ų | 85 | 106.7 Ų | 106.7 | 45% | 0.445 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 179.8 | 178.3 | 61.7 | 0 | 0 | 0 | 112.1 | V35 D36 R42 E43 L44 | V35-L40 HydrophobicContact CG1-CB 4.39Å; V35-L40 HydrophobicContact CG1-CD2 3.88Å; D36-L40 WeakPolarHBondContact O-CB 3.37Å; D36-L40 PolarHBondContact O-N 3.4Å; L40-R42 VanDerWaalsContact C-N 3.32Å; L40-R42 PolarHBondContact O-N 3.33Å; L40-E43 PolarHBondContact O-N 3.03Å; L40-L44 WeakPolarHBondContact O-CB 3.29Å; L40-L44 PolarHBondContact O-N 3.46Å |
| 41 | N | 98.2 | Very high | 97.5 | Very high | 75 Ų | 75 | 106 Ų | 106 | 40% | 0.401 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 179.2 | -76 | -23.9 | 0 | 0 | 0 | 112 | H37 A39 K45 | H37-N41 WeakPolarHBondContact O-CB 3.22Å; H37-N41 PolarHBondContact O-N 2.94Å; H37-N41 PolarHBondContact O-ND2 3.4Å; H37-N41 VanDerWaalsContact O-ND2 3.08Å; A39-N41 PolarHBondContact O-N 3.26Å; N41-K45 WeakPolarHBondContact O-CB 3.35Å; N41-K45 VanDerWaalsContact O-CG 3.26Å; N41-K45 WeakPolarHBondContact O-CG 3.45Å; N41-K45 PolarHBondContact O-N 3.2Å |
| 42 | R | 98.6 | Very high | 97.5 | Very high | 167 Ų | 167 | 101.7 Ų | 101.7 | 63% | 0.63 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.7 | -45 | 175.4 | -75.9 | -179.1 | -66.5 | 149.9 | -4.1 | 111.5 | D38 A39 L40 K45 A46 | D38-R42 WeakPolarHBondContact O-CB 3.18Å; D38-R42 VanDerWaalsContact O-CG 3.26Å; D38-R42 WeakPolarHBondContact O-CG 3.31Å; D38-R42 PolarHBondContact O-N 2.94Å; D38-R42 PolarHBondContact O-NE 3.21Å; D38-R42 VanDerWaalsContact O-NE 3.1Å; A39-R42 PolarHBondContact O-N 3.11Å; L40-R42 VanDerWaalsContact C-N 3.32Å; L40-R42 PolarHBondContact O-N 3.33Å; R42-K45 PolarHBondContact O-N 3.47Å; R42-A46 WeakPolarHBondContact O-CB 3.39Å; R42-A46 PolarHBondContact O-N 3.2Å |
| 43 | E | 98.4 | Very high | 97.5 | Very high | 121 Ų | 121 | 95.7 Ų | 95.7 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.2 | -46.3 | 177.2 | -175.6 | 177.7 | -179.4 | 0 | 0 | 111.6 | A39 L40 K45 A46 K47 | A39-E43 PolarHBondContact O-N 3.43Å; L40-E43 PolarHBondContact O-N 3.03Å; E43-K45 PolarHBondContact O-N 2.82Å; E43-A46 PolarHBondContact O-N 3.49Å; E43-K47 WeakPolarHBondContact O-CG 3.48Å; E43-K47 PolarHBondContact O-N 3.29Å |
| 44 | L | 98.3 | Very high | 97.5 | Very high | 95 Ų | 95 | 102.1 Ų | 102.1 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 177.7 | 178.8 | 61.8 | 0 | 0 | 0 | 111.3 | L40 A46 K47 L48 | L40-L44 WeakPolarHBondContact O-CB 3.29Å; L40-L44 PolarHBondContact O-N 3.46Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 3.28Å; L44-K47 PolarHBondContact O-N 2.96Å; L44-L48 HydrophobicContact CD1-CD1 4.34Å; L44-L48 HydrophobicContact CD1-CG 4.36Å; L44-L48 HydrophobicContact CG-CD1 4.21Å; L44-L48 WeakPolarHBondContact O-CG 3.33Å; L44-L48 PolarHBondContact O-N 3.16Å |
| 45 | K | 98.1 | Very high | 97.6 | Very high | 152 Ų | 152 | 97.9 Ų | 97.9 | 66% | 0.661 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.7 | -42.3 | 176.9 | -74.5 | 175.8 | 179.7 | -176.5 | 0 | 112.1 | N41 R42 E43 K47 L48 K49 | N41-K45 WeakPolarHBondContact O-CB 3.35Å; N41-K45 VanDerWaalsContact O-CG 3.26Å; N41-K45 WeakPolarHBondContact O-CG 3.45Å; N41-K45 PolarHBondContact O-N 3.2Å; R42-K45 PolarHBondContact O-N 3.47Å; E43-K45 PolarHBondContact O-N 2.82Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.42Å; K45-L48 PolarHBondContact O-N 2.74Å; K45-K49 WeakPolarHBondContact O-CB 3.43Å; K45-K49 PolarHBondContact O-N 2.89Å |
| 46 | A | 98.3 | Very high | 97.5 | Very high | 59 Ų | 59 | 96.3 Ų | 96.3 | 49% | 0.488 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R42 E43 L44 K49 E50 | R42-A46 WeakPolarHBondContact O-CB 3.39Å; R42-A46 PolarHBondContact O-N 3.2Å; E43-A46 PolarHBondContact O-N 3.49Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 3.28Å; A46-K49 PolarHBondContact O-N 3.46Å; A46-E50 WeakPolarHBondContact O-CB 3.45Å; A46-E50 PolarHBondContact O-N 3.05Å |
| 47 | K | 98.3 | Very high | 97.4 | Very high | 104 Ų | 104 | 100.7 Ų | 100.7 | 45% | 0.452 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 177.6 | -72.9 | -73.5 | 160.8 | -155.9 | 0 | 112.8 | E43 L44 K45 K49 E50 I51 | E43-K47 WeakPolarHBondContact O-CG 3.48Å; E43-K47 PolarHBondContact O-N 3.29Å; L44-K47 PolarHBondContact O-N 2.96Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.42Å; K47-K49 VanDerWaalsContact C-N 3.33Å; K47-K49 PolarHBondContact O-N 2.88Å; K47-E50 IonicContact NZ-OE2 3.8Å; K47-E50 PolarHBondContact NZ-OE2 3.31Å; K47-E50 PolarHBondContact O-N 3.12Å; K47-I51 WeakPolarHBondContact O-CG1 3.27Å; K47-I51 PolarHBondContact O-N 3.34Å; K47-I51 VanDerWaalsContact O-N 3.12Å |
| 48 | L | 97.1 | Very high | 97.3 | Very high | 103 Ų | 103 | 100.6 Ų | 100.6 | 54% | 0.539 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 176 | -68.9 | 174.4 | 0 | 0 | 0 | 111.4 | L44 K45 I51 S52 | L44-L48 HydrophobicContact CD1-CD1 4.34Å; L44-L48 HydrophobicContact CD1-CG 4.36Å; L44-L48 HydrophobicContact CG-CD1 4.21Å; L44-L48 WeakPolarHBondContact O-CG 3.33Å; L44-L48 PolarHBondContact O-N 3.16Å; K45-L48 PolarHBondContact O-N 2.74Å; L48-I51 PolarHBondContact O-N 2.92Å; L48-S52 PolarHBondContact O-N 3.5Å |
| 49 | K | 97.1 | Very high | 97.3 | Very high | 124 Ų | 124 | 99.1 Ų | 99.1 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 175.6 | -179 | 173.4 | 172.7 | 172.3 | 0 | 112.7 | K45 A46 K47 I51 S52 E53 | K45-K49 WeakPolarHBondContact O-CB 3.43Å; K45-K49 PolarHBondContact O-N 2.89Å; A46-K49 PolarHBondContact O-N 3.46Å; K47-K49 VanDerWaalsContact C-N 3.33Å; K47-K49 PolarHBondContact O-N 2.88Å; K49-I51 VanDerWaalsContact C-N 3.29Å; K49-I51 PolarHBondContact O-N 3.49Å; K49-S52 WeakPolarHBondContact CA-OG 3.45Å; K49-S52 PolarHBondContact O-N 2.91Å; K49-S52 PolarHBondContact O-OG 2.81Å; K49-E53 WeakPolarHBondContact CE-OE1 3.44Å; K49-E53 HydrophobicContact CG-CG 4.34Å; K49-E53 IonicContact NZ-OE1 2.81Å; K49-E53 WeakPolarHBondContact O-CB 2.81Å; K49-E53 WeakPolarHBondContact O-CG 3.35Å; K49-E53 PolarHBondContact O-N 2.75Å |
| 50 | E | 97.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 98.9 Ų | 98.9 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.8 | -43.7 | 175.2 | -178 | -174.4 | 174.6 | 0 | 0 | 111.2 | A46 K47 R54 | A46-E50 WeakPolarHBondContact O-CB 3.45Å; A46-E50 PolarHBondContact O-N 3.05Å; K47-E50 IonicContact NZ-OE2 3.8Å; K47-E50 PolarHBondContact NZ-OE2 3.31Å; K47-E50 PolarHBondContact O-N 3.12Å; E50-R54 WeakPolarHBondContact O-CB 3.43Å; E50-R54 PolarHBondContact O-N 3.29Å; E50-R54 VanDerWaalsContact O-N 3.11Å |
| 51 | I | 97.1 | Very high | 97.1 | Very high | 95 Ų | 95 | 95.9 Ų | 95.9 | 49% | 0.487 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.5 | -49 | 177.4 | -65.2 | 164.4 | 0 | 0 | 0 | 110.5 | K47 L48 K49 E53 R54 D55 | K47-I51 WeakPolarHBondContact O-CG1 3.27Å; K47-I51 PolarHBondContact O-N 3.34Å; K47-I51 VanDerWaalsContact O-N 3.12Å; L48-I51 PolarHBondContact O-N 2.92Å; K49-I51 VanDerWaalsContact C-N 3.29Å; K49-I51 PolarHBondContact O-N 3.49Å; I51-E53 PolarHBondContact O-N 2.97Å; I51-R54 PolarHBondContact O-N 2.94Å; I51-D55 PolarHBondContact O-N 3.21Å |
| 52 | S | 95.8 | Very high | 96.9 | Very high | 30 Ų | 30 | 94.7 Ų | 94.7 | 21% | 0.21 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | -178 | 70 | 0 | 0 | 0 | 0 | 112 | L48 K49 R54 D55 Q56 | L48-S52 PolarHBondContact O-N 3.5Å; K49-S52 WeakPolarHBondContact CA-OG 3.45Å; K49-S52 PolarHBondContact O-N 2.91Å; K49-S52 PolarHBondContact O-OG 2.81Å; S52-R54 PolarHBondContact O-N 3.43Å; S52-D55 PolarHBondContact O-N 3.46Å; S52-Q56 WeakPolarHBondContact O-CB 3.34Å; S52-Q56 PolarHBondContact O-N 3.47Å |
| 53 | E | 96.2 | Very high | 96.6 | Very high | 73 Ų | 73 | 91.8 Ų | 91.8 | 34% | 0.341 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 176.2 | -73.4 | -179 | -173.8 | 0 | 0 | 112.3 | K49 I51 R57 | K49-E53 WeakPolarHBondContact CE-OE1 3.44Å; K49-E53 HydrophobicContact CG-CG 4.34Å; K49-E53 IonicContact NZ-OE1 2.81Å; K49-E53 WeakPolarHBondContact O-CB 2.81Å; K49-E53 WeakPolarHBondContact O-CG 3.35Å; K49-E53 PolarHBondContact O-N 2.75Å; I51-E53 PolarHBondContact O-N 2.97Å; E53-R57 VanDerWaalsContact O-CG 3.29Å; E53-R57 WeakPolarHBondContact O-CG 3.36Å; E53-R57 PolarHBondContact O-N 3.25Å; E53-R57 VanDerWaalsContact O-N 3.08Å |
| 54 | R | 97.1 | Very high | 96.3 | Very high | 160 Ų | 160 | 93 Ų | 93 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.6 | -44.1 | 179.1 | -163.2 | -165.9 | 96.1 | 95.6 | 0.6 | 110.9 | E50 I51 S52 R58 | E50-R54 WeakPolarHBondContact O-CB 3.43Å; E50-R54 PolarHBondContact O-N 3.29Å; E50-R54 VanDerWaalsContact O-N 3.11Å; I51-R54 PolarHBondContact O-N 2.94Å; S52-R54 PolarHBondContact O-N 3.43Å; R54-R58 WeakPolarHBondContact O-CB 3.33Å; R54-R58 PolarHBondContact O-N 3.04Å |
| 55 | D | 96.3 | Very high | 96 | Very high | 45 Ų | 45 | 92.2 Ų | 92.2 | 24% | 0.241 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -73.3 | -38.2 | -179.3 | -70.4 | -17 | 0 | 0 | 0 | 111 | I51 S52 R57 R58 W59 F63 | I51-D55 PolarHBondContact O-N 3.21Å; S52-D55 PolarHBondContact O-N 3.46Å; D55-R57 VanDerWaalsContact C-N 3.31Å; D55-R57 PolarHBondContact O-N 3.23Å; D55-R58 PolarHBondContact O-N 3.46Å; D55-R58 VanDerWaalsContact O-N 3.1Å; D55-W59 WeakPolarHBondContact O-CB 3.48Å; D55-W59 VanDerWaalsContact O-CD1 3.22Å; D55-W59 PolarHBondContact O-N 3.09Å; D55-F63 HydrophobicContact CB-CD2 4.49Å; D55-F63 HydrophobicContact CB-CE2 3.78Å; D55-F63 HydrophobicContact CB-CZ 4.48Å |
| 56 | Q | 95.4 | Very high | 95.6 | Very high | 51 Ų | 51 | 89.2 Ų | 89.2 | 24% | 0.238 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.8 | -44 | 173.2 | 179 | 176 | -3.9 | 0 | 0 | 111.7 | S52 N60 F61 H62 I69 | S52-Q56 WeakPolarHBondContact O-CB 3.34Å; S52-Q56 PolarHBondContact O-N 3.47Å; Q56-N60 WeakPolarHBondContact O-CA 3.37Å; Q56-N60 PolarHBondContact O-N 2.86Å; Q56-F61 WeakPolarHBondContact CA-O 3.48Å; Q56-F61 WeakPolarHBondContact CG-O 3.4Å; Q56-F61 PolarHBondContact O-N 3.08Å; Q56-H62 PolarHBondContact OE1-CE1 2.93Å; Q56-H62 PolarHBondContact OE1-ND1 2.91Å; Q56-I69 HydrophobicContact CG-CD1 3.46Å; Q56-I69 VanDerWaalsContact CG-CD1 3.46Å |
| 57 | R | 94.9 | Very high | 95.4 | Very high | 190 Ų | 190 | 89.6 Ų | 89.6 | 72% | 0.717 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -68.9 | -36.6 | 175.5 | -68.4 | 174.1 | -166.3 | -164.9 | 7.8 | 112.8 | E53 D55 W59 | E53-R57 VanDerWaalsContact O-CG 3.29Å; E53-R57 WeakPolarHBondContact O-CG 3.36Å; E53-R57 PolarHBondContact O-N 3.25Å; E53-R57 VanDerWaalsContact O-N 3.08Å; D55-R57 VanDerWaalsContact C-N 3.31Å; D55-R57 PolarHBondContact O-N 3.23Å; R57-W59 VanDerWaalsContact C-N 3.35Å |
| 58 | R | 96.9 | Very high | 95.2 | Very high | 124 Ų | 124 | 88 Ų | 88 | 47% | 0.468 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.6 | -35.7 | -178.8 | -175.6 | 171.9 | -177.4 | -79.2 | -2.8 | 111.9 | R54 D55 Y73 | R54-R58 WeakPolarHBondContact O-CB 3.33Å; R54-R58 PolarHBondContact O-N 3.04Å; D55-R58 PolarHBondContact O-N 3.46Å; D55-R58 VanDerWaalsContact O-N 3.1Å; R58-Y73 WeakPolarHBondContact O-CE2 3.35Å |
| 59 | W | 96.9 | Very high | 95.1 | Very high | 85 Ų | 85 | 85.6 Ų | 85.6 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -108 | -11.5 | -171.4 | -66.6 | 117.1 | 0 | 0 | 0 | 113.9 | D55 R57 F61 F63 Y73 W75 | D55-W59 WeakPolarHBondContact O-CB 3.48Å; D55-W59 VanDerWaalsContact O-CD1 3.22Å; D55-W59 PolarHBondContact O-N 3.09Å; R57-W59 VanDerWaalsContact C-N 3.35Å; W59-F61 HydrophobicContact CB-CB 4.34Å; W59-F61 PolarHBondContact O-N 2.88Å; W59-F63 HydrophobicContact CB-CZ 4.28Å; W59-F63 AromaticContact CD1-CZ 3.87Å; W59-F63 HydrophobicContact CG-CZ 4.31Å; W59-Y73 HydrophobicContact CE3-CD2 4.4Å; W59-Y73 HydrophobicContact CE3-CE1 4.5Å; W59-Y73 HydrophobicContact CE3-CE2 4.01Å; W59-Y73 HydrophobicContact CZ3-CE1 4.39Å; W59-Y73 WeakPolarHBondContact O-CD2 3.14Å; W59-W75 HydrophobicContact CB-CZ2 4.1Å; W59-W75 HydrophobicContact CE3-CZ2 4.4Å; W59-W75 PolarHBondContact O-NE1 3.32Å |
| 60 | N | 95.9 | Very high | 94.8 | Very high | 29 Ų | 29 | 85.7 Ų | 85.7 | 16% | 0.155 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 46.4 | -168.5 | -40.7 | -79.7 | 0 | 0 | 0 | 111.2 | Q56 I69 S72 W75 | Q56-N60 WeakPolarHBondContact O-CA 3.37Å; Q56-N60 PolarHBondContact O-N 2.86Å; N60-I69 HydrophobicContact CB-CB 4.21Å; N60-I69 VanDerWaalsContact CB-O 3.31Å; N60-I69 WeakPolarHBondContact CB-O 3.39Å; N60-I69 WeakPolarHBondContact O-CA 3.49Å; N60-I69 WeakPolarHBondContact O-CB 3.26Å; N60-I69 PolarHBondContact O-N 3.28Å; N60-S72 PolarHBondContact ND2-N 3.33Å; N60-S72 PolarHBondContact ND2-OG 3.39Å; N60-W75 PolarHBondContact O-NE1 3.43Å |
| 61 | F | 96.2 | Very high | 94.5 | Very high | 23 Ų | 23 | 82.8 Ų | 82.8 | 10% | 0.101 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 132.4 | 179.3 | -168 | -91.6 | 0 | 0 | 0 | 109.5 | Q56 W59 F63 D66 P68 W75 | Q56-F61 WeakPolarHBondContact CA-O 3.48Å; Q56-F61 WeakPolarHBondContact CG-O 3.4Å; Q56-F61 PolarHBondContact O-N 3.08Å; W59-F61 HydrophobicContact CB-CB 4.34Å; W59-F61 PolarHBondContact O-N 2.88Å; F61-F63 HydrophobicContact CB-CZ 4.43Å; F61-F63 AromaticContact CD1-CD1 3.73Å; F61-F63 HydrophobicContact CD1-CD1 3.73Å; F61-F63 AromaticContact CD1-CE1 3.87Å; F61-F63 HydrophobicContact CD1-CE1 3.87Å; F61-F63 HydrophobicContact CD1-CG 4.12Å; F61-F63 HydrophobicContact CD1-CZ 4.37Å; F61-F63 HydrophobicContact CE1-CD1 4.2Å; F61-F63 PolarHBondContact O-N 3.23Å; F61-D66 VanDerWaalsContact CZ-OD1 3.27Å; F61-D66 WeakPolarHBondContact CZ-OD1 3.4Å; F61-P68 HydrophobicContact CD2-CB 4.03Å; F61-P68 HydrophobicContact CE2-CB 4.19Å; F61-W75 HydrophobicContact CB-CZ2 4.04Å; F61-W75 AromaticContact CD2-CD2 3.76Å; F61-W75 HydrophobicContact CD2-CD2 3.76Å; F61-W75 AromaticContact CD2-CE2 3.92Å; F61-W75 HydrophobicContact CD2-CE3 4.25Å; F61-W75 AromaticContact CD2-CG 3.88Å; F61-W75 HydrophobicContact CD2-CG 3.88Å; F61-W75 HydrophobicContact CE2-CD2 4.45Å |
| 62 | H | 93.8 | Very high | 94.3 | Very high | 50 Ų | 50 | 82.9 Ų | 82.9 | 23% | 0.231 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 98.8 | 177.7 | -156.1 | 10.2 | 0 | 0 | 0 | 110 | Q56 E64 T65 D66 T67 I69 | Q56-H62 PolarHBondContact OE1-CE1 2.93Å; Q56-H62 PolarHBondContact OE1-ND1 2.91Å; H62-E64 VanDerWaalsContact C-N 3.28Å; H62-E64 PolarHBondContact O-N 3.46Å; H62-T65 WeakPolarHBondContact CB-OG1 3.41Å; H62-T65 PolarHBondContact CD2-OG1 3.2Å; H62-T65 PolarHBondContact O-N 3.43Å; H62-D66 WeakPolarHBondContact O-CA 3.4Å; H62-D66 PolarHBondContact O-N 3.21Å; H62-T67 WeakPolarHBondContact CB-O 3.19Å; H62-T67 PolarHBondContact N-O 3Å; H62-T67 PolarHBondContact O-N 2.93Å; H62-I69 HydrophobicContact CB-CD1 4.09Å; H62-I69 HydrophobicContact CB-CG1 4.29Å |
| 63 | F | 93.3 | Very high | 94.3 | Very high | 105 Ų | 105 | 86.3 Ų | 86.3 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.6 | -175.5 | -61.2 | -79.3 | 0 | 0 | 0 | 114.6 | D55 W59 F61 | D55-F63 HydrophobicContact CB-CD2 4.49Å; D55-F63 HydrophobicContact CB-CE2 3.78Å; D55-F63 HydrophobicContact CB-CZ 4.48Å; W59-F63 HydrophobicContact CB-CZ 4.28Å; W59-F63 AromaticContact CD1-CZ 3.87Å; W59-F63 HydrophobicContact CG-CZ 4.31Å; F61-F63 HydrophobicContact CB-CZ 4.43Å; F61-F63 AromaticContact CD1-CD1 3.73Å; F61-F63 HydrophobicContact CD1-CD1 3.73Å; F61-F63 AromaticContact CD1-CE1 3.87Å; F61-F63 HydrophobicContact CD1-CE1 3.87Å; F61-F63 HydrophobicContact CD1-CG 4.12Å; F61-F63 HydrophobicContact CD1-CZ 4.37Å; F61-F63 HydrophobicContact CE1-CD1 4.2Å; F61-F63 PolarHBondContact O-N 3.23Å |
| 64 | E | 90.7 | Very high | 94.2 | Very high | 147 Ų | 147 | 92.3 Ų | 92.3 | 69% | 0.687 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -36.6 | 179.9 | -71.6 | 179.3 | -172 | 0 | 0 | 112.5 | H62 | H62-E64 VanDerWaalsContact C-N 3.28Å; H62-E64 PolarHBondContact O-N 3.46Å |
| 65 | T | 91.8 | Very high | 94.1 | Very high | 79 Ų | 79 | 90.1 Ų | 90.1 | 49% | 0.485 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -0.9 | -179.1 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | H62 T67 | H62-T65 WeakPolarHBondContact CB-OG1 3.41Å; H62-T65 PolarHBondContact CD2-OG1 3.2Å; H62-T65 PolarHBondContact O-N 3.43Å; T65-T67 WeakPolarHBondContact O-CG2 3.26Å; T65-T67 PolarHBondContact O-N 3.45Å; T65-T67 PolarHBondContact OG1-OG1 2.99Å |
| 66 | D | 91.3 | Very high | 93.9 | Very high | 89 Ų | 89 | 96 Ų | 96 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 39.4 | -173.9 | -163.4 | 43 | 0 | 0 | 0 | 112.9 | F61 H62 N104 | F61-D66 VanDerWaalsContact CZ-OD1 3.27Å; F61-D66 WeakPolarHBondContact CZ-OD1 3.4Å; H62-D66 WeakPolarHBondContact O-CA 3.4Å; H62-D66 PolarHBondContact O-N 3.21Å; D66-N104 PolarHBondContact OD2-ND2 3.01Å |
| 67 | T | 93.2 | Very high | 93.7 | Very high | 66 Ų | 66 | 97.4 Ų | 97.4 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135.7 | -176.5 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | H62 T65 | H62-T67 WeakPolarHBondContact CB-O 3.19Å; H62-T67 PolarHBondContact N-O 3Å; H62-T67 PolarHBondContact O-N 2.93Å; T65-T67 WeakPolarHBondContact O-CG2 3.26Å; T65-T67 PolarHBondContact O-N 3.45Å; T65-T67 PolarHBondContact OG1-OG1 2.99Å |
| 68 | P | 95.2 | Very high | 93.3 | Very high | 72 Ų | 72 | 94.3 Ų | 94.3 | 47% | 0.468 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 145.6 | 175.7 | 32.7 | -36.1 | 0 | 0 | 0 | 111.6 | F61 W75 | F61-P68 HydrophobicContact CD2-CB 4.03Å; F61-P68 HydrophobicContact CE2-CB 4.19Å; P68-W75 HydrophobicContact CB-CB 3.45Å; P68-W75 VanDerWaalsContact CB-CB 3.45Å; P68-W75 HydrophobicContact CB-CG 3.82Å; P68-W75 HydrophobicContact CG-CB 4.26Å |
| 69 | I | 93.4 | Very high | 92.8 | Very high | 51 Ų | 51 | 91.9 Ų | 91.9 | 26% | 0.262 | 50% | 0.503 | S | S | . | . | trans | -108.1 | 135.1 | 177.1 | -54.9 | 169.4 | 0 | 0 | 0 | 107.1 | Q56 N60 H62 G71 | Q56-I69 HydrophobicContact CG-CD1 3.46Å; Q56-I69 VanDerWaalsContact CG-CD1 3.46Å; N60-I69 HydrophobicContact CB-CB 4.21Å; N60-I69 VanDerWaalsContact CB-O 3.31Å; N60-I69 WeakPolarHBondContact CB-O 3.39Å; N60-I69 WeakPolarHBondContact O-CA 3.49Å; N60-I69 WeakPolarHBondContact O-CB 3.26Å; N60-I69 PolarHBondContact O-N 3.28Å; H62-I69 HydrophobicContact CB-CD1 4.09Å; H62-I69 HydrophobicContact CB-CG1 4.29Å; I69-G71 PolarHBondContact O-N 3.19Å | ||
| 70 | P | 91.5 | Very high | 92.1 | Very high | 126 Ų | 126 | 90.7 Ų | 90.7 | 82% | 0.818 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -60.4 | 127 | 175.7 | 25.2 | -34.1 | 0 | 0 | 0 | 110.2 | ||
| 71 | G | 91.7 | Very high | 91.6 | Very high | 48 Ų | 48 | 96.9 Ų | 96.9 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -178.9 | -146.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I69 Y73 | I69-G71 PolarHBondContact O-N 3.19Å; G71-Y73 VanDerWaalsContact C-N 3.26Å; G71-Y73 PolarHBondContact O-N 3.18Å |
| 72 | S | 93.7 | Very high | 91.2 | Very high | 97 Ų | 97 | 99.7 Ų | 99.7 | 68% | 0.678 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -72 | -16.9 | -176.6 | 65.1 | 0 | 0 | 0 | 0 | 114.7 | N60 | N60-S72 PolarHBondContact ND2-N 3.33Å; N60-S72 PolarHBondContact ND2-OG 3.39Å |
| 73 | Y | 94.2 | Very high | 90.9 | Very high | 102 Ų | 102 | 98.6 Ų | 98.6 | 40% | 0.4 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -115.6 | 129.7 | 177.6 | -65.2 | -80.6 | 0 | 0 | 0 | 108.4 | R58 W59 G71 | R58-Y73 WeakPolarHBondContact O-CE2 3.35Å; W59-Y73 HydrophobicContact CE3-CD2 4.4Å; W59-Y73 HydrophobicContact CE3-CE1 4.5Å; W59-Y73 HydrophobicContact CE3-CE2 4.01Å; W59-Y73 HydrophobicContact CZ3-CE1 4.39Å; W59-Y73 WeakPolarHBondContact O-CD2 3.14Å; G71-Y73 VanDerWaalsContact C-N 3.26Å; G71-Y73 PolarHBondContact O-N 3.18Å |
| 74 | E | 94.9 | Very high | 90.7 | Very high | 200 Ų | 200 | 97.6 Ų | 97.6 | 94% | 0.935 | 57% | 0.567 | S | S | * | * | trans | -91.8 | 116 | 167.9 | -67.1 | -176.8 | 172.3 | 0 | 0 | 107.5 | ||||
| 75 | W | 95.1 | Very high | 90.5 | Very high | 113 Ų | 113 | 94.2 Ų | 94.2 | 43% | 0.428 | 56% | 0.564 | S | S | . | * | trans | -98.9 | 130.2 | -179.5 | -68.4 | 96.7 | 0 | 0 | 0 | 109.4 | W59 N60 F61 P68 | W59-W75 HydrophobicContact CB-CZ2 4.1Å; W59-W75 HydrophobicContact CE3-CZ2 4.4Å; W59-W75 PolarHBondContact O-NE1 3.32Å; N60-W75 PolarHBondContact O-NE1 3.43Å; F61-W75 HydrophobicContact CB-CZ2 4.04Å; F61-W75 AromaticContact CD2-CD2 3.76Å; F61-W75 HydrophobicContact CD2-CD2 3.76Å; F61-W75 AromaticContact CD2-CE2 3.92Å; F61-W75 HydrophobicContact CD2-CE3 4.25Å; F61-W75 AromaticContact CD2-CG 3.88Å; F61-W75 HydrophobicContact CD2-CG 3.88Å; F61-W75 HydrophobicContact CE2-CD2 4.45Å; P68-W75 HydrophobicContact CB-CB 3.45Å; P68-W75 VanDerWaalsContact CB-CB 3.45Å; P68-W75 HydrophobicContact CB-CG 3.82Å; P68-W75 HydrophobicContact CG-CB 4.26Å | ||
| 76 | E | 92.6 | Very high | 90.3 | Very high | 169 Ų | 169 | 98.8 Ų | 98.8 | 79% | 0.79 | 58% | 0.578 | S | S | * | * | trans | -122.5 | 131.3 | 176.5 | -173.5 | 175.9 | -176.3 | 0 | 0 | 109.5 | M78 | E76-M78 PolarHBondContact O-N 3.29Š| ||
| 77 | G | 89.4 | Confident | 90.1 | Very high | 81 Ų | 81 | 102.9 Ų | 102.9 | 84% | 0.835 | 59% | 0.588 | S | S | * | * | trans | -77 | 115.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 78 | M | 87.4 | Confident | 89.9 | Confident | 124 Ų | 124 | 103.4 Ų | 103.4 | 61% | 0.611 | 59% | 0.586 | S | S | * | * | trans | -100.5 | 145.5 | 174.4 | -68.3 | -174.8 | -77.6 | 0 | 0 | 110.7 | E76 T83 | E76-M78 PolarHBondContact O-N 3.29Å; M78-T83 HydrophobicContact CB-CG2 3.71Å; M78-T83 HydrophobicContact CE-CG2 4.09Å; M78-T83 HydrophobicContact SD-CG2 4.39Å | ||
| 79 | S | 86 | Confident | 89 | Confident | 74 Ų | 74 | 105.5 Ų | 105.5 | 52% | 0.517 | 59% | 0.589 | S | S | . | * | trans | -69.1 | 152.2 | 170.9 | 61.3 | 0 | 0 | 0 | 0 | 111.1 | D81 S82 T83 | S79-D81 PolarHBondContact O-N 3.02Å; S79-S82 PolarHBondContact O-N 3.26Å; S79-T83 PolarHBondContact O-N 3.08Å | ||
| 80 | A | 82.8 | Confident | 88 | Confident | 59 Ų | 59 | 107.3 Ų | 107.3 | 49% | 0.488 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -56.1 | -36.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S82 T83 Q88 | A80-S82 PolarHBondContact O-N 3.45Å; A80-T83 PolarHBondContact O-N 3.48Å; A80-T83 PolarHBondContact O-OG1 2.9Å; A80-T83 VanDerWaalsContact O-OG1 3.05Å; A80-Q88 PolarHBondContact O-NE2 2.97Å |
| 81 | D | 85.2 | Confident | 86.4 | Confident | 159 Ų | 159 | 104.4 Ų | 104.4 | 85% | 0.85 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -66 | -25.9 | -179.7 | -58.7 | -35.2 | 0 | 0 | 0 | 113.4 | S79 | S79-D81 PolarHBondContact O-N 3.02Š|
| 82 | S | 87.4 | Confident | 84.8 | Confident | 82 Ų | 82 | 109.2 Ų | 109.2 | 57% | 0.573 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -89.7 | -17.6 | 179.4 | -171.3 | 0 | 0 | 0 | 0 | 112.7 | S79 A80 | S79-S82 PolarHBondContact O-N 3.26Å; A80-S82 PolarHBondContact O-N 3.45Å |
| 83 | T | 87.9 | Confident | 82.8 | Confident | 27 Ų | 27 | 109.7 Ų | 109.7 | 17% | 0.166 | 60% | 0.595 | C | S | . | * | S | Bend | trans | -91.2 | 141.2 | 179.9 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | M78 S79 A80 A85 Q88 | M78-T83 HydrophobicContact CB-CG2 3.71Å; M78-T83 HydrophobicContact CE-CG2 4.09Å; M78-T83 HydrophobicContact SD-CG2 4.39Å; S79-T83 PolarHBondContact O-N 3.08Å; A80-T83 PolarHBondContact O-N 3.48Å; A80-T83 PolarHBondContact O-OG1 2.9Å; A80-T83 VanDerWaalsContact O-OG1 3.05Å; T83-A85 PolarHBondContact O-N 3.1Å; T83-Q88 PolarHBondContact O-NE2 3.19Å |
| 84 | P | 89.2 | Confident | 80.7 | Confident | 85 Ų | 85 | 107.9 Ų | 107.9 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | trans | -55.6 | 141.6 | 172.3 | -24.9 | 33.4 | 0 | 0 | 0 | 111.4 | F86 Y87 | P84-F86 PolarHBondContact O-N 3.31Å; P84-Y87 HydrophobicContact CB-CD2 4.25Å; P84-Y87 HydrophobicContact CG-CD2 4.28Å; P84-Y87 PolarHBondContact O-N 3.28Å | ||
| 85 | A | 85.6 | Confident | 78.5 | Confident | 75 Ų | 75 | 106.9 Ų | 106.9 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -51.4 | -24.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T83 Y87 Q88 | T83-A85 PolarHBondContact O-N 3.1Å; A85-Y87 VanDerWaalsContact C-N 3.33Å; A85-Y87 PolarHBondContact O-N 3.16Å; A85-Q88 PolarHBondContact O-N 3.26Å |
| 86 | F | 87.6 | Confident | 76.5 | Confident | 175 Ų | 175 | 108 Ų | 108 | 77% | 0.768 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -62.8 | -34 | 175.3 | 177 | -97.1 | 0 | 0 | 0 | 114.1 | P84 | P84-F86 PolarHBondContact O-N 3.31Š|
| 87 | Y | 88.5 | Confident | 74.2 | Confident | 175 Ų | 175 | 110.7 Ų | 110.7 | 69% | 0.686 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -93.2 | -4 | 179.6 | -62.5 | -72 | 0 | 0 | 0 | 112.7 | P84 A85 | P84-Y87 HydrophobicContact CB-CD2 4.25Å; P84-Y87 HydrophobicContact CG-CD2 4.28Å; P84-Y87 PolarHBondContact O-N 3.28Å; A85-Y87 VanDerWaalsContact C-N 3.33Å; A85-Y87 PolarHBondContact O-N 3.16Å |
| 88 | Q | 87.7 | Confident | 72.3 | Confident | 78 Ų | 78 | 110.7 Ų | 110.7 | 36% | 0.364 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -79.1 | 136.6 | 174 | -62.2 | 176 | 12.7 | 0 | 0 | 108.8 | A80 T83 A85 S90 | A80-Q88 PolarHBondContact O-NE2 2.97Å; T83-Q88 PolarHBondContact O-NE2 3.19Å; A85-Q88 PolarHBondContact O-N 3.26Å; Q88-S90 PolarHBondContact O-N 3.32Å; Q88-S90 VanDerWaalsContact O-N 3.08Å |
| 89 | E | 77.6 | Confident | 70.2 | Confident | 115 Ų | 115 | 112.6 Ų | 112.6 | 54% | 0.537 | 61% | 0.614 | S | S | . | * | trans | -69.2 | 105.9 | 178.5 | -173 | 169.2 | -162.6 | 0 | 0 | 110.3 | ||||
| 90 | S | 71.2 | Confident | 68.4 | Low | 90 Ų | 90 | 112.3 Ų | 112.3 | 63% | 0.629 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.6 | 90.5 | 170.7 | 62 | 0 | 0 | 0 | 0 | 109.4 | Q88 E92 | Q88-S90 PolarHBondContact O-N 3.32Å; Q88-S90 VanDerWaalsContact O-N 3.08Å; S90-E92 PolarHBondContact O-N 3.33Å |
| 91 | T | 58.8 | Low | 66.5 | Low | 65 Ų | 65 | 114.4 Ų | 114.4 | 40% | 0.399 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.5 | 96 | 167.8 | 23.3 | 0 | 0 | 0 | 0 | 108.5 | V93 | T91-V93 VanDerWaalsContact C-N 3.28Å; T91-V93 PolarHBondContact O-N 3.41Å |
| 92 | E | 58.2 | Low | 64.6 | Low | 148 Ų | 148 | 111.8 Ų | 111.8 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.4 | 81.3 | 171.8 | -65.1 | -167.2 | 163.2 | 0 | 0 | 109.8 | S90 G94 | S90-E92 PolarHBondContact O-N 3.33Å; E92-G94 PolarHBondContact O-N 3.06Å |
| 93 | V | 51.6 | Low | 62.6 | Low | 107 Ų | 107 | 111.9 Ų | 111.9 | 65% | 0.648 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.5 | 85.4 | 167.2 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | T91 | T91-V93 VanDerWaalsContact C-N 3.28Å; T91-V93 PolarHBondContact O-N 3.41Å |
| 94 | G | 49.9 | Very low | 60.8 | Low | 64 Ų | 64 | 116.6 Ų | 116.6 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.3 | 97.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | E92 M96 | E92-G94 PolarHBondContact O-N 3.06Å; G94-M96 PolarHBondContact O-N 3.08Å |
| 95 | D | 49.9 | Very low | 58.2 | Low | 179 Ų | 179 | 118 Ų | 118 | 96% | 0.957 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.7 | 6.6 | 171.5 | -145.8 | 21.4 | 0 | 0 | 0 | 117.8 | ||
| 96 | M | 51 | Low | 56 | Low | 138 Ų | 138 | 122.8 Ų | 122.8 | 68% | 0.68 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.6 | 111.9 | 174.1 | -65.7 | -177.6 | 65.8 | 0 | 0 | 108.7 | G94 V98 | G94-M96 PolarHBondContact O-N 3.08Å; M96-V98 PolarHBondContact O-N 3.24Å; M96-V98 VanDerWaalsContact O-N 3.16Å |
| 97 | R | 45.8 | Very low | 53.5 | Low | 224 Ų | 224 | 124.4 Ų | 124.4 | 85% | 0.845 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.8 | 104.1 | 167.5 | -79.3 | -176.2 | 174.9 | 179.1 | -2 | 108.4 | ||
| 98 | V | 49.5 | Very low | 51.2 | Low | 82 Ų | 82 | 121.4 Ų | 121.4 | 50% | 0.497 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 111.8 | 164.3 | -178.6 | 0 | 0 | 0 | 0 | 106.8 | M96 V100 | M96-V98 PolarHBondContact O-N 3.24Å; M96-V98 VanDerWaalsContact O-N 3.16Å; V98-V100 HydrophobicContact CG1-CG2 4.31Å; V98-V100 PolarHBondContact O-N 3.06Å |
| 99 | Q | 43.3 | Very low | 48.6 | Very low | 164 Ų | 164 | 120.7 Ų | 120.7 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.4 | 108.8 | 165.7 | -69.2 | -171.7 | 23.1 | 0 | 0 | 107.1 | V101 | Q99-V101 HydrophobicContact CB-CG2 4.4Å; Q99-V101 PolarHBondContact O-N 2.89Å |
| 100 | V | 47.2 | Very low | 46.3 | Very low | 67 Ų | 67 | 123.6 Ų | 123.6 | 41% | 0.406 | 68% | 0.68 | S | S | . | * | trans | -80.2 | 96.5 | 165.6 | -179.7 | 0 | 0 | 0 | 0 | 106.1 | V98 T102 | V98-V100 HydrophobicContact CG1-CG2 4.31Å; V98-V100 PolarHBondContact O-N 3.06Å; V100-T102 HydrophobicContact CG1-CG2 4.13Å; V100-T102 PolarHBondContact O-N 3.4Å | ||
| 101 | V | 43.3 | Very low | 44.9 | Very low | 104 Ų | 104 | 125 Ų | 125 | 63% | 0.63 | 69% | 0.685 | S | S | * | * | trans | -78.5 | 97.3 | 171.2 | 178.5 | 0 | 0 | 0 | 0 | 106.8 | Q99 S103 | Q99-V101 HydrophobicContact CB-CG2 4.4Å; Q99-V101 PolarHBondContact O-N 2.89Å; V101-S103 PolarHBondContact O-N 3.45Å | ||
| 102 | T | 46.7 | Very low | 43.5 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 64% | 0.638 | 70% | 0.702 | S | S | * | * | trans | -75.7 | 77 | 163.2 | 56.9 | 0 | 0 | 0 | 0 | 108.1 | V100 N104 | V100-T102 HydrophobicContact CG1-CG2 4.13Å; V100-T102 PolarHBondContact O-N 3.4Å; T102-N104 PolarHBondContact O-N 2.87Å | ||
| 103 | S | 45 | Very low | 42.5 | Very low | 83 Ų | 83 | 125.7 Ų | 125.7 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | trans | -77.5 | 101.2 | 168.4 | 54.4 | 0 | 0 | 0 | 0 | 108.4 | V101 T105 | V101-S103 PolarHBondContact O-N 3.45Å; S103-T105 PolarHBondContact O-N 3.09Å | ||
| 104 | N | 48.5 | Very low | 41.7 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | trans | -66.8 | 98.1 | 163 | -76.3 | -21.4 | 0 | 0 | 0 | 108.3 | D66 T102 | D66-N104 PolarHBondContact OD2-ND2 3.01Å; T102-N104 PolarHBondContact O-N 2.87Å | ||
| 105 | T | 35.3 | Very low | 41 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | trans | -130.7 | 114 | 160.8 | 43.4 | 0 | 0 | 0 | 0 | 108.8 | S103 Y107 | S103-T105 PolarHBondContact O-N 3.09Å; T105-Y107 PolarHBondContact O-N 3.49Å; T105-Y107 VanDerWaalsContact O-N 3.09Å | ||
| 106 | D | 40 | Very low | 40.3 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 93% | 0.93 | 71% | 0.711 | S | S | * | * | trans | -50.2 | 108 | 161.1 | -77.5 | -43.6 | 0 | 0 | 0 | 110.1 | ||||
| 107 | Y | 34.3 | Very low | 40 | Very low | 209 Ų | 209 | 135.1 Ų | 135.1 | 82% | 0.82 | 72% | 0.721 | S | S | * | * | trans | -164.2 | 118.1 | 153.7 | -165.6 | -107.1 | 0 | 0 | 0 | 110.7 | T105 A109 | T105-Y107 PolarHBondContact O-N 3.49Å; T105-Y107 VanDerWaalsContact O-N 3.09Å; Y107-A109 HydrophobicContact CD1-CB 4.27Å; Y107-A109 HydrophobicContact CE1-CB 3.87Å; Y107-A109 PolarHBondContact O-N 3.19Å | ||
| 108 | S | 39.8 | Very low | 39.4 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | -61.7 | 123.2 | 161.8 | -68.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 109 | A | 33.6 | Very low | 38.7 | Very low | 62 Ų | 62 | 129.3 Ų | 129.3 | 51% | 0.512 | 73% | 0.728 | S | S | . | * | trans | 175.2 | 124.1 | 142.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y107 | Y107-A109 HydrophobicContact CD1-CB 4.27Å; Y107-A109 HydrophobicContact CE1-CB 3.87Å; Y107-A109 PolarHBondContact O-N 3.19Å | ||
| 110 | E | 29.7 | Very low | 38.5 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | 56.3 | 125.1 | 136.8 | -39.5 | -44.2 | 129.9 | 0 | 0 | 121.8 | ||||
| 111 | V | 40.8 | Very low | 38.1 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -39.9 | 129.4 | 166.7 | 174.2 | 0 | 0 | 0 | 0 | 114.6 | T113 | V111-T113 HydrophobicContact CG1-CG2 4.19Š| ||
| 112 | V | 31.5 | Very low | 37.9 | Very low | 126 Ų | 126 | 133 Ų | 133 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -133.8 | 95.5 | 147.1 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | D114 | V112-D114 PolarHBondContact O-N 3.12Š| ||
| 113 | T | 37.2 | Very low | 37.5 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | trans | -77.8 | 105.3 | 163.3 | 50 | 0 | 0 | 0 | 0 | 108 | V111 | V111-T113 HydrophobicContact CG1-CG2 4.19Š| ||
| 114 | D | 33.5 | Very low | 37 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -95.5 | 117.5 | 171.6 | -117.4 | -14.4 | 0 | 0 | 0 | 111.1 | V112 | V112-D114 PolarHBondContact O-N 3.12Š| ||
| 115 | N | 34.5 | Very low | 36.8 | Very low | 138 Ų | 138 | 136 Ų | 136 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -89.8 | 114.1 | -171.2 | -59.3 | -37.2 | 0 | 0 | 0 | 109.4 | ||||
| 116 | V | 35.6 | Very low | 36.6 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 96% | 0.958 | 77% | 0.77 | S | S | * | * | trans | -99.4 | 130.4 | 162.5 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 117 | R | 44.6 | Very low | 36.6 | Very low | 238 Ų | 238 | 135.3 Ų | 135.3 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -105.9 | 141.4 | -154.6 | 156.6 | -172.8 | -71.3 | -105.7 | -2.4 | 112 | ||||
| 118 | G | 34.8 | Very low | 36.5 | Very low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | 103.9 | 139.1 | 147.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 119 | C | 34.5 | Very low | 36 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | cis | -158.9 | 156 | 7.7 | -74.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 120 | C | 37.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | -158.4 | 151.9 | 50.9 | -58 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 121 | L | 39.1 | Very low | 36.4 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 63% | 0.634 | 79% | 0.788 | S | S | * | * | trans | -52 | 150.5 | 176.6 | -76.3 | 76.8 | 0 | 0 | 0 | 115.4 | ||||
| 122 | N | 39.3 | Very low | 35.9 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | -150.4 | 122.2 | 109.1 | -73.3 | -35.2 | 0 | 0 | 0 | 109 | |||||
| 123 | Q | 38 | Very low | 36 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 70% | 0.696 | 79% | 0.792 | S | S | * | * | trans | -77.9 | 161 | 176.6 | -58.4 | 174.2 | 48.4 | 0 | 0 | 109.4 | ||||
| 124 | T | 34.2 | Very low | 35.6 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | cis | -169.8 | -178.1 | 48.3 | -17.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 125 | P | 44.8 | Very low | 35.4 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | -128.7 | -175 | -114.3 | 41.9 | -21.2 | 0 | 0 | 0 | 116.7 | |||||
| 126 | L | 30.9 | Very low | 35.3 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | 87.7 | 103.4 | 159.8 | -73.4 | 155.6 | 0 | 0 | 0 | 119.2 | ||||
| 127 | S | 40.3 | Very low | 35.6 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | -170.1 | 127.4 | 118.6 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 128 | D | 32 | Very low | 35.5 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -53.8 | 142.3 | -177.2 | -60.1 | -54.9 | 0 | 0 | 0 | 113.6 | ||||
| 129 | C | 29.9 | Very low | 36.1 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 92% | 0.919 | 79% | 0.79 | S | S | * | * | trans | -164.3 | 135.6 | 144.7 | -90.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 130 | E | 29.9 | Very low | 36.8 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -77.6 | 159.5 | -155.4 | -60.6 | 176.1 | 117.9 | 0 | 0 | 115.1 | T132 | E130-T132 PolarHBondContact O-N 3.1Š| ||
| 131 | Q | 40.8 | Very low | 37.5 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -42.2 | 128 | 168.7 | -116.2 | 86.3 | 21.4 | 0 | 0 | 112.4 | ||||
| 132 | T | 31.6 | Very low | 37.8 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | 177.8 | 153.7 | 124.4 | 33 | 0 | 0 | 0 | 0 | 109.9 | E130 | E130-T132 PolarHBondContact O-N 3.1Š| |||
| 133 | A | 32.1 | Very low | 38.4 | Very low | 85 Ų | 85 | 137.5 Ų | 137.5 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | 83.9 | 78.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | C135 | A133-C135 PolarHBondContact O-N 3.17Š| ||
| 134 | L | 30.5 | Very low | 38.8 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 96% | 0.958 | 77% | 0.769 | S | S | * | * | trans | -63.6 | 87.1 | 148.5 | -70.8 | 172.4 | 0 | 0 | 0 | 108.2 | S136 | L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 3.09Å | ||
| 135 | C | 28.1 | Very low | 39.1 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 66% | 0.655 | 77% | 0.766 | S | S | * | * | trans | -71.3 | 94.1 | 162.4 | -71.1 | 0 | 0 | 0 | 0 | 107.4 | A133 N137 | A133-C135 PolarHBondContact O-N 3.17Å; C135-N137 PolarHBondContact O-N 2.75Å | ||
| 136 | S | 32.4 | Very low | 39 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -70.5 | 81.4 | 166.9 | -158.9 | 0 | 0 | 0 | 0 | 108.2 | L134 E138 | L134-S136 VanDerWaalsContact C-N 3.32Å; L134-S136 PolarHBondContact O-N 3.09Å; S136-E138 VanDerWaalsContact C-N 3.31Å; S136-E138 PolarHBondContact O-N 2.9Å | ||
| 137 | N | 41.1 | Very low | 39.7 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -82.6 | 89.1 | 164.2 | -66.6 | -16.7 | 0 | 0 | 0 | 105.8 | C135 V139 | C135-N137 PolarHBondContact O-N 2.75Å; N137-V139 VanDerWaalsContact C-N 3.28Å; N137-V139 VanDerWaalsContact O-CG2 3.27Å; N137-V139 WeakPolarHBondContact O-CG2 3.46Å; N137-V139 PolarHBondContact O-N 2.92Å | ||
| 138 | E | 42.8 | Very low | 39.9 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -63.5 | 96.1 | 166.7 | -160 | 179 | 168 | 0 | 0 | 107.2 | S136 N140 | S136-E138 VanDerWaalsContact C-N 3.31Å; S136-E138 PolarHBondContact O-N 2.9Å; E138-N140 PolarHBondContact O-N 2.87Å | ||
| 139 | V | 48.1 | Very low | 40.2 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -73.3 | 119.6 | -177.8 | -162.6 | 0 | 0 | 0 | 0 | 106.9 | N137 Q141 | N137-V139 VanDerWaalsContact C-N 3.28Å; N137-V139 VanDerWaalsContact O-CG2 3.27Å; N137-V139 WeakPolarHBondContact O-CG2 3.46Å; N137-V139 PolarHBondContact O-N 2.92Å; V139-Q141 PolarHBondContact O-N 3.42Å; V139-Q141 VanDerWaalsContact O-N 3.09Å | ||
| 140 | N | 50.2 | Low | 41 | Very low | 105 Ų | 105 | 138 Ų | 138 | 56% | 0.561 | 76% | 0.76 | S | S | * | * | trans | -38.7 | 116 | 172.6 | -179.5 | 1.1 | 0 | 0 | 0 | 110.8 | E138 E142 | E138-N140 PolarHBondContact O-N 2.87Å; N140-E142 PolarHBondContact ND2-OE2 3.02Å; N140-E142 PolarHBondContact O-N 3.32Å; N140-E142 VanDerWaalsContact O-N 3.1Å; N140-E142 WeakPolarHBondContact OD1-CB 3.27Å; N140-E142 WeakPolarHBondContact OD1-CG 3.27Å; N140-E142 PolarHBondContact OD1-N 3Å; N140-E142 VanDerWaalsContact OD1-N 3.12Å; N140-E142 PolarHBondContact OD1-OE2 2.77Å | ||
| 141 | Q | 52.4 | Low | 41.6 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 62% | 0.621 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 2.8 | -177.3 | -71.9 | -177.2 | 36.4 | 0 | 0 | 113.9 | V139 N143 | V139-Q141 PolarHBondContact O-N 3.42Å; V139-Q141 VanDerWaalsContact O-N 3.09Å; Q141-N143 PolarHBondContact O-N 3.18Å |
| 142 | E | 44.9 | Very low | 42.1 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -0.3 | -178.1 | -70.3 | 176.4 | 154.2 | 0 | 0 | 115.2 | N140 | N140-E142 PolarHBondContact ND2-OE2 3.02Å; N140-E142 PolarHBondContact O-N 3.32Å; N140-E142 VanDerWaalsContact O-N 3.1Å; N140-E142 WeakPolarHBondContact OD1-CB 3.27Å; N140-E142 WeakPolarHBondContact OD1-CG 3.27Å; N140-E142 PolarHBondContact OD1-N 3Å; N140-E142 VanDerWaalsContact OD1-N 3.12Å; N140-E142 PolarHBondContact OD1-OE2 2.77Å |
| 143 | N | 51.7 | Low | 42.7 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -112.7 | 58 | -178.2 | -157.3 | 7.2 | 0 | 0 | 0 | 113.6 | Q141 | Q141-N143 PolarHBondContact O-N 3.18Š| ||
| 144 | W | 45.3 | Very low | 43.1 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | trans | -93.1 | 86.7 | 157.6 | -71.9 | -28.8 | 0 | 0 | 0 | 110.2 | N146 | W144-N146 PolarHBondContact O-N 3.11Š| ||
| 145 | S | 40.8 | Very low | 43.8 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -80 | 64.2 | 163.6 | 65.9 | 0 | 0 | 0 | 0 | 110.7 | S147 | S145-S147 PolarHBondContact O-N 3.44Š| ||
| 146 | N | 44.2 | Very low | 44.8 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | -90.9 | 87.1 | 165.9 | -72.8 | -21.2 | 0 | 0 | 0 | 107.9 | W144 P148 | W144-N146 PolarHBondContact O-N 3.11Å; N146-P148 VanDerWaalsContact O-CD 3.27Å; N146-P148 WeakPolarHBondContact O-CD 3.47Å | ||
| 147 | S | 43.8 | Very low | 45.6 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -90.8 | 109.2 | 169.9 | 71.7 | 0 | 0 | 0 | 0 | 109.8 | S145 N149 | S145-S147 PolarHBondContact O-N 3.44Å; S147-N149 PolarHBondContact O-N 2.99Å | ||
| 148 | P | 45.2 | Very low | 46 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | trans | -88.4 | 88.4 | 167.8 | 34.2 | -27.1 | 0 | 0 | 0 | 107.7 | N146 | N146-P148 VanDerWaalsContact O-CD 3.27Å; N146-P148 WeakPolarHBondContact O-CD 3.47Å | ||
| 149 | N | 38.5 | Very low | 46.2 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | -156.5 | 68 | 162.9 | -99.7 | -31 | 0 | 0 | 0 | 111.5 | S147 K151 | S147-N149 PolarHBondContact O-N 2.99Å; N149-K151 VanDerWaalsContact C-N 3.29Å; N149-K151 PolarHBondContact O-N 2.85Å | ||
| 150 | T | 46.1 | Very low | 45.9 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | trans | -86.9 | 72.1 | 158.6 | 44.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 151 | K | 43.8 | Very low | 46.1 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -100.3 | 105.7 | 159.3 | -70.4 | -172.7 | -177.5 | 178.2 | 0 | 108.4 | N149 L153 | N149-K151 VanDerWaalsContact C-N 3.29Å; N149-K151 PolarHBondContact O-N 2.85Å; K151-L153 PolarHBondContact O-N 3.39Å | ||
| 152 | K | 50.5 | Low | 46 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -42.5 | 116.6 | 165.1 | -105.6 | 177 | 173.1 | 177.2 | 0 | 109.1 | ||||
| 153 | L | 44.6 | Very low | 46.3 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -117.2 | 121.1 | 161.1 | -74.3 | 173.5 | 0 | 0 | 0 | 108.5 | K151 | K151-L153 PolarHBondContact O-N 3.39Š| ||
| 154 | N | 40 | Very low | 46.5 | Very low | 144 Ų | 144 | 157.2 Ų | 157.2 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -62.8 | 132 | -174.1 | -59.7 | -20.8 | 0 | 0 | 0 | 109.9 | K156 | N154-K156 PolarHBondContact O-N 3.43Å; N154-K156 VanDerWaalsContact O-N 3.14Å | ||
| 155 | S | 46 | Very low | 46.6 | Very low | 122 Ų | 122 | 159.6 Ų | 159.6 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -63.5 | 110.4 | 175.6 | 46.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 156 | K | 47.9 | Very low | 46.9 | Very low | 190 Ų | 190 | 159.2 Ų | 159.2 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | -113.8 | 100.8 | 152.8 | -72.9 | -175.5 | 178.9 | 178.7 | 0 | 107.4 | N154 T158 | N154-K156 PolarHBondContact O-N 3.43Å; N154-K156 VanDerWaalsContact O-N 3.14Å; K156-T158 PolarHBondContact O-N 3.17Å | ||
| 157 | S | 50.7 | Low | 47.1 | Very low | 118 Ų | 118 | 164.7 Ų | 164.7 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -47.5 | 106.2 | 167.9 | 155.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 158 | T | 48.7 | Very low | 47.2 | Very low | 126 Ų | 126 | 165.5 Ų | 165.5 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -101 | 113.7 | 166.2 | -54.1 | 0 | 0 | 0 | 0 | 106.8 | K156 C160 | K156-T158 PolarHBondContact O-N 3.17Å; T158-C160 PolarHBondContact O-N 3.27Å; T158-C160 VanDerWaalsContact O-N 3.09Å | ||
| 159 | Q | 46.3 | Very low | 47.2 | Very low | 173 Ų | 173 | 164.2 Ų | 164.2 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | -58.9 | 111.3 | 175.7 | -113.2 | 174.1 | -8.7 | 0 | 0 | 109.3 | I161 | Q159-I161 PolarHBondContact O-N 3.35Å; Q159-I161 VanDerWaalsContact O-N 3.13Å | ||
| 160 | C | 42.6 | Very low | 47.7 | Very low | 125 Ų | 125 | 167.8 Ų | 167.8 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | -73.7 | 101.2 | 168.7 | 39 | 0 | 0 | 0 | 0 | 108.8 | T158 R162 | T158-C160 PolarHBondContact O-N 3.27Å; T158-C160 VanDerWaalsContact O-N 3.09Å; C160-R162 PolarHBondContact O-N 3.04Å; C160-R162 VanDerWaalsContact O-N 3.1Å | ||
| 161 | I | 53.3 | Low | 47.8 | Very low | 154 Ų | 154 | 169.9 Ų | 169.9 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -63.1 | 113 | 171.5 | -61.9 | 173.6 | 0 | 0 | 0 | 108 | Q159 R163 | Q159-I161 PolarHBondContact O-N 3.35Å; Q159-I161 VanDerWaalsContact O-N 3.13Å; I161-R163 PolarHBondContact O-N 2.72Å | ||
| 162 | R | 51.1 | Low | 48.2 | Very low | 230 Ų | 230 | 172.6 Ų | 172.6 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -65.7 | 102.5 | 172.1 | -171.7 | 179.1 | -173.5 | 170.6 | 2.2 | 108.8 | C160 K164 | C160-R162 PolarHBondContact O-N 3.04Å; C160-R162 VanDerWaalsContact O-N 3.1Å; R162-K164 PolarHBondContact O-N 3.13Å | ||
| 163 | R | 52 | Low | 47.9 | Very low | 242 Ų | 242 | 167.2 Ų | 167.2 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -63.6 | 105.9 | 167.2 | -81 | -178.7 | 151.4 | 165.3 | -5.8 | 108.7 | I161 R165 | I161-R163 PolarHBondContact O-N 2.72Å; R163-R165 PolarHBondContact O-N 3.3Å | ||
| 164 | K | 55.7 | Low | 48.5 | Very low | 193 Ų | 193 | 164.4 Ų | 164.4 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -64.4 | 117.9 | 164.6 | -80.9 | -174.7 | 172.9 | 179.8 | 0 | 107.5 | R162 S166 | R162-K164 PolarHBondContact O-N 3.13Å; K164-S166 PolarHBondContact O-N 3.03Å; K164-S166 VanDerWaalsContact O-N 3.13Å | ||
| 165 | R | 46.4 | Very low | 49.6 | Very low | 245 Ų | 245 | 165 Ų | 165 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -66.1 | 107.2 | 167.8 | -178.9 | 179.2 | -106 | -177.3 | -5.3 | 107.6 | R163 | R163-R165 PolarHBondContact O-N 3.3Š| ||
| 166 | S | 48.6 | Very low | 50.1 | Low | 94 Ų | 94 | 165.2 Ų | 165.2 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | trans | -65 | 128.2 | 167.5 | 22.4 | 0 | 0 | 0 | 0 | 109 | K164 T168 | K164-S166 PolarHBondContact O-N 3.03Å; K164-S166 VanDerWaalsContact O-N 3.13Å; S166-T168 PolarHBondContact O-N 3.05Å; S166-T168 VanDerWaalsContact O-N 3.17Å | ||
| 167 | R | 48.2 | Very low | 50.4 | Low | 254 Ų | 254 | 162.2 Ų | 162.2 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | trans | -67.8 | 102.2 | 163.8 | -104.6 | 168 | 65.4 | 167.2 | -0.2 | 106.7 | ||||
| 168 | T | 45.7 | Very low | 51 | Low | 125 Ų | 125 | 165.1 Ų | 165.1 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | trans | -87.8 | 125.2 | 167.1 | 49.4 | 0 | 0 | 0 | 0 | 108.6 | S166 | S166-T168 PolarHBondContact O-N 3.05Å; S166-T168 VanDerWaalsContact O-N 3.17Å | ||
| 169 | S | 43.7 | Very low | 51.5 | Low | 88 Ų | 88 | 166.3 Ų | 166.3 | 62% | 0.615 | 81% | 0.808 | S | S | * | * | trans | -55.1 | 152.7 | 171.4 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | E171 | S169-E171 PolarHBondContact O-N 3.31Å; S169-E171 VanDerWaalsContact O-N 3.11Å | ||
| 170 | Y | 49.3 | Very low | 52.3 | Low | 209 Ų | 209 | 163.5 Ų | 163.5 | 82% | 0.82 | 80% | 0.802 | S | S | * | * | trans | -30 | 111.4 | 164.3 | 55.9 | -82.7 | 0 | 0 | 0 | 111.8 | ||||
| 171 | E | 49.3 | Very low | 53 | Low | 190 Ų | 190 | 164.2 Ų | 164.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -150.1 | 136 | 142.8 | -87.4 | -130.1 | 152 | 0 | 0 | 107.8 | S169 A173 | S169-E171 PolarHBondContact O-N 3.31Å; S169-E171 VanDerWaalsContact O-N 3.11Å; E171-A173 PolarHBondContact O-N 2.88Å | ||
| 172 | R | 52.4 | Low | 53.5 | Low | 234 Ų | 234 | 164.9 Ų | 164.9 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -74.5 | 98.4 | -162.3 | 177.8 | 178.7 | -77.4 | 150.5 | -6.1 | 110 | V174 | R172-V174 HydrophobicContact CG-CG2 4.28Å; R172-V174 PolarHBondContact O-N 2.93Å | ||
| 173 | A | 43.4 | Very low | 54.1 | Low | 89 Ų | 89 | 162.2 Ų | 162.2 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -82.2 | 99.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | E171 | E171-A173 PolarHBondContact O-N 2.88Š| ||
| 174 | V | 58.4 | Low | 54.5 | Low | 108 Ų | 108 | 155.6 Ų | 155.6 | 66% | 0.655 | 78% | 0.779 | S | S | * | * | trans | -59.9 | 137.7 | 166.4 | -170.6 | 0 | 0 | 0 | 0 | 107.2 | R172 | R172-V174 HydrophobicContact CG-CG2 4.28Å; R172-V174 PolarHBondContact O-N 2.93Å | ||
| 175 | N | 61.1 | Low | 54.6 | Low | 156 Ų | 156 | 156 Ų | 156 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | 99.1 | 59.8 | -179.8 | -41.2 | -31.1 | 0 | 0 | 0 | 115.6 | ||||
| 176 | V | 56.6 | Low | 55.2 | Low | 126 Ų | 126 | 156 Ų | 156 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -119.1 | 120.5 | 155.9 | 176.5 | 0 | 0 | 0 | 0 | 107.2 | Q178 | V176-Q178 PolarHBondContact O-N 3.13Š| ||
| 177 | T | 54.9 | Low | 55.9 | Low | 128 Ų | 128 | 162.9 Ų | 162.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -55.6 | 118.6 | -178.3 | 46.3 | 0 | 0 | 0 | 0 | 110.8 | I179 | T177-I179 PolarHBondContact O-N 3.1Š| ||
| 178 | Q | 64.3 | Low | 56.2 | Low | 179 Ų | 179 | 162.3 Ų | 162.3 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -69.5 | 116.7 | 175.1 | -59.7 | 178.6 | 8.3 | 0 | 0 | 108.3 | V176 T180 | V176-Q178 PolarHBondContact O-N 3.13Å; Q178-T180 PolarHBondContact O-N 3.09Å | ||
| 179 | I | 57.9 | Low | 56.2 | Low | 151 Ų | 151 | 166.9 Ų | 166.9 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | -70.5 | 110.7 | 171.3 | -63.2 | 171.3 | 0 | 0 | 0 | 106.4 | T177 D181 | T177-I179 PolarHBondContact O-N 3.1Å; I179-D181 PolarHBondContact O-N 3.17Å | ||
| 180 | T | 63.1 | Low | 56.2 | Low | 114 Ų | 114 | 168.4 Ų | 168.4 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -83.5 | 106.4 | 178.9 | 58.9 | 0 | 0 | 0 | 0 | 109.3 | Q178 F182 | Q178-T180 PolarHBondContact O-N 3.09Å; T180-F182 PolarHBondContact O-N 3.26Å | ||
| 181 | D | 57.9 | Low | 55.7 | Low | 139 Ų | 139 | 164 Ų | 164 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -74.8 | 52.4 | 168.8 | -68.1 | -29.6 | 0 | 0 | 0 | 111.3 | I179 F183 | I179-D181 PolarHBondContact O-N 3.17Å; D181-F183 PolarHBondContact O-N 3.45Å | ||
| 182 | F | 63.2 | Low | 55.4 | Low | 169 Ų | 169 | 160.5 Ų | 160.5 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -90.1 | 86 | 177.7 | -168.9 | -97.7 | 0 | 0 | 0 | 110.2 | T180 P184 | T180-F182 PolarHBondContact O-N 3.26Å; F182-P184 HydrophobicContact CE1-CB 4.31Å | ||
| 183 | F | 63.6 | Low | 54.9 | Low | 174 Ų | 174 | 158 Ų | 158 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -84.5 | 118.1 | 162.2 | -70.3 | -85 | 0 | 0 | 0 | 108.7 | D181 K185 | D181-F183 PolarHBondContact O-N 3.45Å; F183-K185 PolarHBondContact O-N 3.14Å | ||
| 184 | P | 60 | Low | 54.6 | Low | 103 Ų | 103 | 163 Ų | 163 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | -63.4 | 109 | 176.5 | 23.4 | -30.4 | 0 | 0 | 0 | 109.2 | F182 R186 | F182-P184 HydrophobicContact CE1-CB 4.31Å; P184-R186 PolarHBondContact O-N 2.99Å | ||
| 185 | K | 59.3 | Low | 53.7 | Low | 201 Ų | 201 | 167.5 Ų | 167.5 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -65.8 | 101.9 | 178 | -155.3 | 149.3 | -175.2 | 171.1 | 0 | 108.1 | F183 R187 | F183-K185 PolarHBondContact O-N 3.14Å; K185-R187 PolarHBondContact O-N 3.14Å | ||
| 186 | R | 57.6 | Low | 52.3 | Low | 245 Ų | 245 | 165 Ų | 165 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -58.1 | 104.8 | 170.4 | -108.9 | -179.4 | 158.8 | -169.5 | -5.2 | 108.1 | P184 R188 | P184-R186 PolarHBondContact O-N 2.99Å; R186-R188 PolarHBondContact O-N 2.76Å | ||
| 187 | R | 63.8 | Low | 51.2 | Low | 238 Ų | 238 | 164.9 Ų | 164.9 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -60.6 | 117.2 | 169.6 | -84.1 | 177.7 | 67.1 | -155.2 | 3.1 | 108.3 | K185 | K185-R187 PolarHBondContact O-N 3.14Š| ||
| 188 | R | 55.9 | Low | 50.5 | Low | 242 Ų | 242 | 166.9 Ų | 166.9 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -70.5 | 125.7 | 159.6 | -67.4 | -169.2 | 179 | -178.1 | 0.6 | 107.2 | R186 S190 | R186-R188 PolarHBondContact O-N 2.76Å; R188-S190 PolarHBondContact O-N 3.01Å | ||
| 189 | R | 45 | Very low | 49.5 | Very low | 222 Ų | 222 | 163.1 Ų | 163.1 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -70.3 | 109.8 | 170.3 | -179.2 | 178.2 | -75.9 | -142.5 | -2.5 | 107.1 | T191 | R189-T191 HydrophobicContact CG-CG2 4.02Å; R189-T191 PolarHBondContact O-N 2.83Å | ||
| 190 | S | 42.5 | Very low | 48.4 | Very low | 119 Ų | 119 | 162.5 Ų | 162.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -69.9 | 110 | 160.5 | 39.3 | 0 | 0 | 0 | 0 | 107.9 | R188 | R188-S190 PolarHBondContact O-N 3.01Š| ||
| 191 | T | 40.2 | Very low | 47.1 | Very low | 116 Ų | 116 | 162.1 Ų | 162.1 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -98.1 | 114.4 | 160.4 | 50.1 | 0 | 0 | 0 | 0 | 107.3 | R189 | R189-T191 HydrophobicContact CG-CG2 4.02Å; R189-T191 PolarHBondContact O-N 2.83Å | ||
| 192 | S | 42.7 | Very low | 46.3 | Very low | 117 Ų | 117 | 160.1 Ų | 160.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -57.8 | 145.2 | 169.9 | 48.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 193 | E | 42.4 | Very low | 45.3 | Very low | 181 Ų | 181 | 159.9 Ų | 159.9 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -57.7 | 156 | -179 | -53.7 | -159.4 | 132.5 | 0 | 0 | 114.5 | ||||
| 194 | M | 36.6 | Very low | 44.4 | Very low | 195 Ų | 195 | 156.7 Ų | 156.7 | 96% | 0.961 | 80% | 0.802 | S | S | * | * | -157.3 | 124 | 119.8 | -65.2 | -142 | 179.9 | 0 | 0 | 112 | |||||
| 195 | K | 38.8 | Very low | 44 | Very low | 202 Ų | 202 | 159.7 Ų | 159.7 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | trans | -1 | 132.2 | 153.7 | -154.1 | 165.5 | -173.4 | 175.4 | 0 | 120.2 | ||||
| 196 | S | 32.6 | Very low | 43.5 | Very low | 104 Ų | 104 | 155.8 Ų | 155.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | 141.3 | 135.7 | 118.4 | -158.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 197 | T | 32.7 | Very low | 43.1 | Very low | 123 Ų | 123 | 152.1 Ų | 152.1 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | 82.8 | 108.7 | 151.5 | -43 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 198 | Q | 40.4 | Very low | 42.4 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -70.5 | 144 | 153.3 | -72.4 | -75.8 | -38.8 | 0 | 0 | 108.9 | ||||
| 199 | P | 43.8 | Very low | 42 | Very low | 99 Ų | 99 | 146 Ų | 146 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | -151.1 | 157.9 | 76 | 37 | -16.3 | 0 | 0 | 0 | 117.6 | |||||
| 200 | N | 34.3 | Very low | 42.4 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | 63.8 | 135.2 | 143.6 | -57.1 | -14.7 | 0 | 0 | 0 | 123.6 | ||||
| 201 | S | 35.1 | Very low | 43.1 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 74.5 | 115.2 | 142.5 | 67.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 202 | S | 42.3 | Very low | 43.9 | Very low | 97 Ų | 97 | 146.9 Ų | 146.9 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | 90.6 | 130.2 | 125.4 | 79.7 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 203 | L | 42.7 | Very low | 44.5 | Very low | 163 Ų | 163 | 150.9 Ų | 150.9 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | 70.5 | 141.5 | 156.6 | -49.6 | 175.9 | 0 | 0 | 0 | 115.6 | ||||
| 204 | S | 44.1 | Very low | 45.1 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | cis | -172 | 141.2 | 21.1 | 22.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 205 | I | 51.2 | Low | 46 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 129.2 | 175.8 | -60 | 161.7 | 0 | 0 | 0 | 108.5 | L207 | I205-L207 PolarHBondContact O-N 3.24Š|
| 206 | P | 50.1 | Low | 46.5 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 125.5 | 177.7 | 26.4 | -26.5 | 0 | 0 | 0 | 110.8 | ||
| 207 | L | 47.9 | Very low | 47.5 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 122.9 | 173.8 | -150.9 | 93 | 0 | 0 | 0 | 109.2 | I205 Q209 | I205-L207 PolarHBondContact O-N 3.24Å; L207-Q209 PolarHBondContact O-N 3.28Å |
| 208 | E | 48.4 | Very low | 48.8 | Very low | 167 Ų | 167 | 155.1 Ų | 155.1 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 116.4 | 179.2 | -139.3 | -96 | 150.9 | 0 | 0 | 109.3 | ||
| 209 | Q | 49.3 | Very low | 49.2 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -101.8 | 103.9 | -172.2 | -149.2 | 177.3 | 10.2 | 0 | 0 | 109 | L207 | L207-Q209 PolarHBondContact O-N 3.28Š| ||
| 210 | T | 53.1 | Low | 49.5 | Very low | 102 Ų | 102 | 157.2 Ų | 157.2 | 63% | 0.626 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 130.2 | 177.9 | 47.3 | 0 | 0 | 0 | 0 | 111 | R212 | T210-R212 PolarHBondContact O-N 3.47Š|
| 211 | P | 56.9 | Low | 50.3 | Low | 131 Ų | 131 | 158.2 Ų | 158.2 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 116.7 | -177.7 | 28 | -31.8 | 0 | 0 | 0 | 111.2 | ||
| 212 | R | 56.6 | Low | 51.2 | Low | 242 Ų | 242 | 161.3 Ų | 161.3 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 137.7 | 171.3 | -68.5 | -173 | -175.6 | -175.2 | 1.5 | 111 | T210 | T210-R212 PolarHBondContact O-N 3.47Š|
| 213 | K | 56.2 | Low | 51.8 | Low | 202 Ų | 202 | 165.3 Ų | 165.3 | 88% | 0.878 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 129.9 | -178.2 | -167.7 | 173.9 | -179.4 | 179.2 | 0 | 113.1 | ||
| 214 | A | 54.2 | Low | 52.4 | Low | 90 Ų | 90 | 165.5 Ų | 165.5 | 74% | 0.744 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 135.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 215 | Q | 54.6 | Low | 53 | Low | 187 Ų | 187 | 169.6 Ų | 169.6 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -86 | 128.6 | 167.7 | -69 | -176.4 | -12.9 | 0 | 0 | 109.2 | ||
| 216 | I | 51.2 | Low | 53.1 | Low | 153 Ų | 153 | 169.9 Ų | 169.9 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 120.4 | 173.4 | -64.8 | 169.4 | 0 | 0 | 0 | 107 | ||
| 217 | I | 52.5 | Low | 53.4 | Low | 158 Ų | 158 | 174.2 Ų | 174.2 | 81% | 0.81 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -98 | 131.1 | 167.5 | -59.9 | 170.6 | 0 | 0 | 0 | 107 | ||
| 218 | R | 59.5 | Low | 53.9 | Low | 305 Ų | 305 | 174.6 Ų | 174.6 | 100% | 1.151 | 84% | 0.843 | S | S | * | * | trans | -121.4 | 0 | 160.1 | -87.5 | -168.3 | 179.2 | 126.2 | -0.7 | 108.2 |
Retrieved 218 of 218 residues in 58.5 ms
(Link to these results)