| 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 | 52 | Low | 53.6 | Low | 225 Ų | 225 | 128.9 Ų | 128.9 | 100% | 1.108 | 71% | 0.71 | S | S | * | * | 0 | 57.7 | 0 | -160.3 | 86.4 | 175.2 | 0 | 0 | 105.6 | |||||
| 2 | D | 50.8 | Low | 53.5 | Low | 127 Ų | 127 | 123.7 Ų | 123.7 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | trans | -140 | 7.9 | -158.5 | -61.5 | -78.9 | 0 | 0 | 0 | 113.8 | ||||
| 3 | D | 55.1 | Low | 53.2 | Low | 129 Ų | 129 | 124.8 Ų | 124.8 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -6 | -173.7 | -67.1 | -53.1 | 0 | 0 | 0 | 115.2 | S6 H7 | D3-S6 PolarHBondContact O-OG 2.7Å; D3-H7 PolarHBondContact O-ND1 3.15Å; D3-H7 VanDerWaalsContact O-ND1 3.14Å |
| 4 | I | 55.5 | Low | 52.6 | Low | 139 Ų | 139 | 129.4 Ų | 129.4 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -29.4 | 175.5 | -87.2 | 169 | 0 | 0 | 0 | 112.3 | ||
| 5 | F | 51.1 | Low | 52.2 | Low | 160 Ų | 160 | 125.7 Ų | 125.7 | 70% | 0.702 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -22.5 | -179.2 | -85.6 | -87.9 | 0 | 0 | 0 | 113.5 | ||
| 6 | S | 53.6 | Low | 51.8 | Low | 57 Ų | 57 | 130.9 Ų | 130.9 | 40% | 0.399 | 73% | 0.732 | S | S | . | * | H | α-helix | trans | -75.7 | -26.6 | 177.8 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | D3 I8 G10 | D3-S6 PolarHBondContact O-OG 2.7Å; S6-I8 VanDerWaalsContact C-N 3.34Å; S6-I8 PolarHBondContact O-N 3.08Å; S6-G10 WeakPolarHBondContact O-CA 3.36Å; S6-G10 PolarHBondContact O-N 3.37Å |
| 7 | H | 52.9 | Low | 51.8 | Low | 145 Ų | 145 | 134.2 Ų | 134.2 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -78.7 | -13.7 | 178.5 | -78.9 | 71.4 | 0 | 0 | 0 | 114.1 | D3 | D3-H7 PolarHBondContact O-ND1 3.15Å; D3-H7 VanDerWaalsContact O-ND1 3.14Å |
| 8 | I | 55.4 | Low | 51.7 | Low | 110 Ų | 110 | 129.8 Ų | 129.8 | 56% | 0.564 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -95.5 | -35.5 | 178.7 | -66.6 | 175.3 | 0 | 0 | 0 | 111.6 | S6 | S6-I8 VanDerWaalsContact C-N 3.34Å; S6-I8 PolarHBondContact O-N 3.08Å |
| 9 | F | 58.1 | Low | 51.5 | Low | 182 Ų | 182 | 130.5 Ų | 130.5 | 80% | 0.798 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -106.1 | -12.3 | -175.7 | -81.3 | -89.2 | 0 | 0 | 0 | 114.7 | ||
| 10 | G | 49.1 | Very low | 51.2 | Low | 55 Ų | 55 | 132.2 Ų | 132.2 | 57% | 0.567 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -99.7 | 71.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S6 G12 | S6-G10 WeakPolarHBondContact O-CA 3.36Å; S6-G10 PolarHBondContact O-N 3.37Å; G10-G12 PolarHBondContact O-N 3.3Å; G10-G12 VanDerWaalsContact O-N 3.15Å |
| 11 | G | 56 | Low | 51.2 | Low | 89 Ų | 89 | 130.4 Ų | 130.4 | 92% | 0.918 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 60.2 | 33 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 12 | G | 52.8 | Low | 51.2 | Low | 66 Ų | 66 | 128 Ų | 128 | 68% | 0.68 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -135.6 | -4.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | G10 | G10-G12 PolarHBondContact O-N 3.3Å; G10-G12 VanDerWaalsContact O-N 3.15Å |
| 13 | L | 48.9 | Very low | 51.2 | Low | 139 Ų | 139 | 126.9 Ų | 126.9 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -137.5 | -7.6 | -175 | -165.2 | 59.8 | 0 | 0 | 0 | 115.5 | ||
| 14 | F | 45 | Very low | 51.1 | Low | 189 Ų | 189 | 129.9 Ų | 129.9 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -95.6 | 2.1 | 179.7 | -94.6 | -89.1 | 0 | 0 | 0 | 114.6 | ||
| 15 | G | 47.1 | Very low | 51 | Low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -83.9 | -15.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 16 | F | 44.8 | Very low | 51.4 | Low | 210 Ų | 210 | 125.2 Ų | 125.2 | 92% | 0.921 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -104.4 | -5.1 | -171.2 | -92.4 | -85.4 | 0 | 0 | 0 | 115.6 | ||
| 17 | M | 52.4 | Low | 51.7 | Low | 186 Ų | 186 | 134.5 Ų | 134.5 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -110.9 | 12.4 | 176.8 | -85.7 | -154.7 | -168.7 | 0 | 0 | 114.1 | ||
| 18 | G | 50.6 | Low | 52.7 | Low | 56 Ų | 56 | 138 Ų | 138 | 58% | 0.577 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -114.9 | 21.6 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 19 | N | 47.7 | Very low | 53.7 | Low | 143 Ų | 143 | 142.3 Ų | 142.3 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | -158.8 | 31.6 | 171 | -128.2 | 14.1 | 0 | 0 | 0 | 117.2 | S21 | N19-S21 PolarHBondContact O-N 3.35Å; N19-S21 PolarHBondContact OD1-OG 3.27Å | ||
| 20 | Q | 45.4 | Very low | 54.8 | Low | 164 Ų | 164 | 136.4 Ų | 136.4 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | -83.3 | 57.7 | 157.6 | -154.5 | 173.4 | 79 | 0 | 0 | 109.3 | R22 | Q20-R22 HydrophobicContact CG-CG 4.28Å; Q20-R22 PolarHBondContact O-N 2.85Å | ||
| 21 | S | 50 | Low | 56.5 | Low | 94 Ų | 94 | 143.2 Ų | 143.2 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | trans | -61.5 | 83.2 | 158.8 | -65.1 | 0 | 0 | 0 | 0 | 105.7 | N19 S23 | N19-S21 PolarHBondContact O-N 3.35Å; N19-S21 PolarHBondContact OD1-OG 3.27Å; S21-S23 VanDerWaalsContact C-N 3.3Å; S21-S23 PolarHBondContact O-N 3.47Å | ||
| 22 | R | 52.9 | Low | 57.9 | Low | 175 Ų | 175 | 144.6 Ų | 144.6 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | trans | -49.6 | 100.4 | 176.9 | -74.4 | 173.6 | 173.7 | 172.4 | -5.4 | 106.2 | Q20 R24 | Q20-R22 HydrophobicContact CG-CG 4.28Å; Q20-R22 PolarHBondContact O-N 2.85Å; R22-R24 HydrophobicContact CB-CG 4.4Å; R22-R24 PolarHBondContact O-N 2.82Å | ||
| 23 | S | 50 | Low | 59.3 | Low | 103 Ų | 103 | 147.4 Ų | 147.4 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | -61.5 | 81.9 | 162.9 | -176.4 | 0 | 0 | 0 | 0 | 106.3 | S21 N25 | S21-S23 VanDerWaalsContact C-N 3.3Å; S21-S23 PolarHBondContact O-N 3.47Å; S23-N25 PolarHBondContact O-N 2.84Å; S23-N25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | R | 54.8 | Low | 61.2 | Low | 192 Ų | 192 | 149.1 Ų | 149.1 | 73% | 0.725 | 75% | 0.751 | S | S | * | * | trans | -72.3 | 14.8 | 168.7 | -87.8 | -177.5 | 169.9 | -178.1 | -0 | 110.9 | R22 G26 | R22-R24 HydrophobicContact CB-CG 4.4Å; R22-R24 PolarHBondContact O-N 2.82Å; R24-G26 VanDerWaalsContact C-N 3.35Å | ||
| 25 | N | 52.7 | Low | 63.1 | Low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | trans | -98.5 | 24 | 179.7 | -151.8 | 43.5 | 0 | 0 | 0 | 112.2 | S23 | S23-N25 PolarHBondContact O-N 2.84Å; S23-N25 VanDerWaalsContact O-N 3.11Å | ||
| 26 | G | 58.5 | Low | 65 | Low | 50 Ų | 50 | 147 Ų | 147 | 52% | 0.515 | 73% | 0.734 | S | S | . | * | S | Bend | trans | -74 | 132.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | R24 R28 | R24-G26 VanDerWaalsContact C-N 3.35Å; G26-R28 PolarHBondContact O-N 2.86Å |
| 27 | R | 60.6 | Low | 67.1 | Low | 253 Ų | 253 | 141.1 Ų | 141.1 | 96% | 0.955 | 71% | 0.712 | S | S | * | * | trans | -52.3 | 111.1 | 169.7 | -69.7 | 177.3 | 177.1 | 168.3 | -1.1 | 107.7 | R29 | R27-R29 PolarHBondContact O-N 3.46Å; R27-R29 VanDerWaalsContact O-N 3.12Å | ||
| 28 | R | 73.3 | Confident | 68.9 | Low | 218 Ų | 218 | 141.9 Ų | 141.9 | 82% | 0.823 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 116.3 | 176.8 | -69.2 | -173.9 | 179.4 | -173 | 2.5 | 107.5 | G26 G30 | G26-R28 PolarHBondContact O-N 2.86Å; R28-G30 PolarHBondContact O-N 2.91Å |
| 29 | R | 77.6 | Confident | 70.9 | Confident | 201 Ų | 201 | 142.9 Ų | 142.9 | 76% | 0.758 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 133.5 | 170.5 | -172.9 | 178.8 | 166 | 176 | -7.7 | 107.6 | R27 D32 | R27-R29 PolarHBondContact O-N 3.46Å; R27-R29 VanDerWaalsContact O-N 3.12Å; R29-D32 IonicContact CZ-OD1 2.72Å; R29-D32 IonicContact NE-OD1 3.53Å; R29-D32 IonicContact NH2-OD1 3.68Å; R29-D32 PolarHBondContact NH2-OD1 3.4Å; R29-D32 IonicContact NH2-OD2 3.7Å; R29-D32 PolarHBondContact NH2-OD2 3.02Å |
| 30 | G | 80.5 | Confident | 73 | Confident | 58 Ų | 58 | 137.9 Ų | 137.9 | 60% | 0.598 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 160 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R28 | R28-G30 PolarHBondContact O-N 2.91Š|
| 31 | E | 83.9 | Confident | 75.4 | Confident | 198 Ų | 198 | 137.2 Ų | 137.2 | 93% | 0.925 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 144.7 | 174.1 | -64.4 | 176.5 | 176.4 | 0 | 0 | 110.8 | ||
| 32 | D | 86.1 | Confident | 77.4 | Confident | 118 Ų | 118 | 139 Ų | 139 | 63% | 0.631 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 145.6 | 177.6 | -66 | -33.5 | 0 | 0 | 0 | 110.3 | R29 | R29-D32 IonicContact CZ-OD1 2.72Å; R29-D32 IonicContact NE-OD1 3.53Å; R29-D32 IonicContact NH2-OD1 3.68Å; R29-D32 PolarHBondContact NH2-OD1 3.4Å; R29-D32 IonicContact NH2-OD2 3.7Å; R29-D32 PolarHBondContact NH2-OD2 3.02Å |
| 33 | M | 83.1 | Confident | 79.2 | Confident | 124 Ų | 124 | 132.6 Ų | 132.6 | 61% | 0.611 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 124.3 | 178.3 | -176.8 | 180 | -65.5 | 0 | 0 | 110.5 | L54 S55 | M33-L54 HydrophobicContact SD-CD2 4.31Å; M33-S55 WeakPolarHBondContact CE-O 3.32Å |
| 34 | M | 87.2 | Confident | 81.2 | Confident | 175 Ų | 175 | 133.2 Ų | 133.2 | 86% | 0.862 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 124.8 | 175.9 | -65.1 | -67 | -84.5 | 0 | 0 | 110.6 | ||
| 35 | H | 84.9 | Confident | 83 | Confident | 105 Ų | 105 | 133.8 Ų | 133.8 | 49% | 0.486 | 66% | 0.657 | S | S | . | * | trans | -121.9 | 104.1 | 176.5 | -170.9 | 74.3 | 0 | 0 | 0 | 110.6 | L37 L54 | H35-L37 PolarHBondContact O-N 3.16Å; H35-L54 HydrophobicContact CB-CD2 4.41Å | ||
| 36 | P | 88.2 | Confident | 85 | Confident | 114 Ų | 114 | 132.6 Ų | 132.6 | 74% | 0.74 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 120.5 | -179.3 | 28.3 | -32.3 | 0 | 0 | 0 | 110.9 | ||
| 37 | L | 89.6 | Confident | 86.6 | Confident | 85 Ų | 85 | 133 Ų | 133 | 45% | 0.445 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -94.4 | 121.7 | 174.8 | -99.8 | 158.2 | 0 | 0 | 0 | 110.2 | H35 T50 L52 | H35-L37 PolarHBondContact O-N 3.16Å; L37-T50 HydrophobicContact CD2-CG2 4.5Å; L37-L52 HydrophobicContact CD1-CD1 3.86Å; L37-L52 HydrophobicContact CD1-CD2 3.88Å; L37-L52 HydrophobicContact CD1-CG 4.27Å; L37-L52 HydrophobicContact CD2-CD2 3.94Å; L37-L52 HydrophobicContact CG-CD2 3.92Å |
| 38 | K | 89.6 | Confident | 88 | Confident | 202 Ų | 202 | 126.2 Ų | 126.2 | 88% | 0.878 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 124.2 | 171.6 | -67.1 | -176.5 | 179.6 | -179.2 | 0 | 109.4 | ||
| 39 | V | 91.5 | Very high | 88.8 | Confident | 77 Ų | 77 | 122.8 Ų | 122.8 | 47% | 0.467 | 64% | 0.635 | S | S | . | * | trans | -129.1 | 143.9 | 178.7 | -66.1 | 0 | 0 | 0 | 0 | 109.8 | L44 | V39-L44 HydrophobicContact CB-CG 4.37Å; V39-L44 HydrophobicContact CG2-CD1 3.94Å; V39-L44 HydrophobicContact CG2-CD2 4.15Å; V39-L44 HydrophobicContact CG2-CG 3.93Å | ||
| 40 | S | 93.4 | Very high | 89.2 | Confident | 39 Ų | 39 | 115.7 Ų | 115.7 | 27% | 0.273 | 61% | 0.614 | S | S | . | * | trans | -87 | 165 | 169.7 | 59.6 | 0 | 0 | 0 | 0 | 110.7 | E42 D43 L44 | S40-E42 VanDerWaalsContact C-N 3.32Å; S40-E42 PolarHBondContact O-N 3.36Å; S40-E42 WeakPolarHBondContact OG-CG 3.04Å; S40-E42 PolarHBondContact OG-OE1 2.8Å; S40-D43 PolarHBondContact O-N 3.4Å; S40-D43 WeakPolarHBondContact OG-CB 3.43Å; S40-D43 PolarHBondContact OG-N 3.29Å; S40-D43 PolarHBondContact OG-OD2 3.23Å; S40-D43 VanDerWaalsContact OG-OD2 3.08Å; S40-L44 PolarHBondContact O-N 2.89Å; S40-L44 VanDerWaalsContact O-N 3.16Å | ||
| 41 | L | 94.4 | Very high | 89.6 | Confident | 150 Ų | 150 | 121.6 Ų | 121.6 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65 | -36.3 | 177.4 | -69 | 174.5 | 0 | 0 | 0 | 112.1 | L44 Y45 | L41-L44 PolarHBondContact O-N 3.23Å; L41-Y45 PolarHBondContact O-N 3.12Å |
| 42 | E | 92.1 | Very high | 89.8 | Confident | 131 Ų | 131 | 114 Ų | 114 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.2 | -39.7 | 174 | 58.2 | -176.7 | -179.3 | 0 | 0 | 112.1 | S40 L44 Y45 N46 | S40-E42 VanDerWaalsContact C-N 3.32Å; S40-E42 PolarHBondContact O-N 3.36Å; S40-E42 WeakPolarHBondContact OG-CG 3.04Å; S40-E42 PolarHBondContact OG-OE1 2.8Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 3.49Å; E42-Y45 PolarHBondContact O-N 3.01Å; E42-N46 WeakPolarHBondContact O-CB 3.4Å; E42-N46 PolarHBondContact O-N 3.4Å; E42-N46 PolarHBondContact O-ND2 3.15Å; E42-N46 VanDerWaalsContact O-ND2 3.15Å |
| 43 | D | 90.8 | Very high | 89.9 | Confident | 40 Ų | 40 | 115 Ų | 115 | 21% | 0.214 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -67.2 | -35 | 178.2 | -77.7 | -25.5 | 0 | 0 | 0 | 111.2 | S40 G47 K48 | S40-D43 PolarHBondContact O-N 3.4Å; S40-D43 WeakPolarHBondContact OG-CB 3.43Å; S40-D43 PolarHBondContact OG-N 3.29Å; S40-D43 PolarHBondContact OG-OD2 3.23Å; S40-D43 VanDerWaalsContact OG-OD2 3.08Å; D43-G47 CarbonylContact O-C 3.48Å; D43-G47 VanDerWaalsContact O-CA 3.26Å; D43-G47 WeakPolarHBondContact O-CA 3.41Å; D43-G47 PolarHBondContact O-N 2.78Å; D43-K48 HydrophobicContact CB-CB 4.09Å; D43-K48 HydrophobicContact CB-CD 4.04Å; D43-K48 PolarHBondContact O-N 2.85Å; D43-K48 IonicContact OD1-NZ 3.81Å; D43-K48 WeakPolarHBondContact OD2-CD 3.31Å; D43-K48 IonicContact OD2-NZ 2.7Å; D43-K48 PolarHBondContact OD2-NZ 3.12Å |
| 44 | L | 91.8 | Very high | 90.2 | Very high | 117 Ų | 117 | 111.2 Ų | 111.2 | 61% | 0.613 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.7 | -37.4 | 174.4 | -78 | 169 | 0 | 0 | 0 | 112.1 | V39 S40 L41 E42 | V39-L44 HydrophobicContact CB-CG 4.37Å; V39-L44 HydrophobicContact CG2-CD1 3.94Å; V39-L44 HydrophobicContact CG2-CD2 4.15Å; V39-L44 HydrophobicContact CG2-CG 3.93Å; S40-L44 PolarHBondContact O-N 2.89Å; S40-L44 VanDerWaalsContact O-N 3.16Å; L41-L44 PolarHBondContact O-N 3.23Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 3.49Å |
| 45 | Y | 94.3 | Very high | 90.2 | Very high | 204 Ų | 204 | 105 Ų | 105 | 80% | 0.8 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.3 | -46.2 | 180 | -176.3 | -99.7 | 0 | 0 | 0 | 112.5 | L41 E42 | L41-Y45 PolarHBondContact O-N 3.12Å; E42-Y45 PolarHBondContact O-N 3.01Å |
| 46 | N | 94.3 | Very high | 90.5 | Very high | 126 Ų | 126 | 104.1 Ų | 104.1 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -84.2 | -16.9 | -177.5 | -64.6 | -45 | 0 | 0 | 0 | 113.2 | E42 | E42-N46 WeakPolarHBondContact O-CB 3.4Å; E42-N46 PolarHBondContact O-N 3.4Å; E42-N46 PolarHBondContact O-ND2 3.15Å; E42-N46 VanDerWaalsContact O-ND2 3.15Å |
| 47 | G | 90.9 | Very high | 90.6 | Very high | 57 Ų | 57 | 104.4 Ų | 104.4 | 59% | 0.588 | 54% | 0.536 | S | S | * | . | trans | 78.6 | 130.8 | -171 | 0 | 0 | 0 | 0 | 0 | 112 | D43 | D43-G47 CarbonylContact O-C 3.48Å; D43-G47 VanDerWaalsContact O-CA 3.26Å; D43-G47 WeakPolarHBondContact O-CA 3.41Å; D43-G47 PolarHBondContact O-N 2.78Å | ||
| 48 | K | 90.3 | Very high | 90.6 | Very high | 111 Ų | 111 | 101.9 Ų | 101.9 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | trans | -127.7 | 132.8 | 178.9 | -171.8 | -173 | -160.4 | 159.5 | 0 | 111.2 | D43 T50 | D43-K48 HydrophobicContact CB-CB 4.09Å; D43-K48 HydrophobicContact CB-CD 4.04Å; D43-K48 PolarHBondContact O-N 2.85Å; D43-K48 IonicContact OD1-NZ 3.81Å; D43-K48 WeakPolarHBondContact OD2-CD 3.31Å; D43-K48 IonicContact OD2-NZ 2.7Å; D43-K48 PolarHBondContact OD2-NZ 3.12Å; K48-T50 HydrophobicContact CD-CG2 3.54Å; K48-T50 HydrophobicContact CG-CG2 3.83Å | ||
| 49 | T | 90.1 | Very high | 90.8 | Very high | 146 Ų | 146 | 98.1 Ų | 98.1 | 90% | 0.896 | 51% | 0.513 | S | S | * | . | trans | -98.6 | 119.4 | 167.8 | -57.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 50 | T | 87.1 | Confident | 90.8 | Very high | 52 Ų | 52 | 94.5 Ų | 94.5 | 32% | 0.319 | 49% | 0.491 | S | S | . | . | trans | -116.5 | 134.7 | 176.9 | 56.6 | 0 | 0 | 0 | 0 | 110.1 | L37 K48 | L37-T50 HydrophobicContact CD2-CG2 4.5Å; K48-T50 HydrophobicContact CD-CG2 3.54Å; K48-T50 HydrophobicContact CG-CG2 3.83Å | ||
| 51 | K | 88.6 | Confident | 90.8 | Very high | 182 Ų | 182 | 96.8 Ų | 96.8 | 79% | 0.791 | 51% | 0.507 | S | S | * | . | trans | -81 | 122.9 | 173.7 | -65.6 | -176.3 | -177.9 | 179.5 | 0 | 108.8 | I133 L134 | K51-I133 HydrophobicContact CB-CG2 3.94Å; K51-I133 HydrophobicContact CD-CG2 4.44Å; K51-I133 HydrophobicContact CG-CG2 4.48Å; K51-L134 CarbonylContact C-O 3.58Å; K51-L134 VanDerWaalsContact CA-O 3.32Å; K51-L134 WeakPolarHBondContact CA-O 3.44Å | ||
| 52 | L | 87.7 | Confident | 90.6 | Very high | 40 Ų | 40 | 92.4 Ų | 92.4 | 21% | 0.209 | 49% | 0.492 | C | S | . | . | trans | -103.2 | 120.7 | -178.7 | -72.6 | 177.3 | 0 | 0 | 0 | 110.4 | L37 L54 I133 L134 | L37-L52 HydrophobicContact CD1-CD1 3.86Å; L37-L52 HydrophobicContact CD1-CD2 3.88Å; L37-L52 HydrophobicContact CD1-CG 4.27Å; L37-L52 HydrophobicContact CD2-CD2 3.94Å; L37-L52 HydrophobicContact CG-CD2 3.92Å; L52-L54 PolarHBondContact O-N 3.45Å; L52-I133 CarbonylContact O-C 3.42Å; L52-I133 VanDerWaalsContact O-CA 3.31Å; L52-I133 WeakPolarHBondContact O-CA 3.44Å; L52-L134 HydrophobicContact CB-CB 4.5Å; L52-L134 PolarHBondContact N-O 3.14Å; L52-L134 PolarHBondContact O-N 3.31Å | ||
| 53 | Q | 88.4 | Confident | 90.5 | Very high | 138 Ų | 138 | 86.7 Ų | 86.7 | 65% | 0.645 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 102.8 | 173.6 | -173.5 | 177.7 | -20.4 | 0 | 0 | 109.9 | V131 | Q53-V131 HydrophobicContact CG-CG1 3.29Å; Q53-V131 VanDerWaalsContact NE2-CG1 3.3Å |
| 54 | L | 88.6 | Confident | 90.5 | Very high | 45 Ų | 45 | 89.3 Ų | 89.3 | 24% | 0.236 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 129.6 | 178.3 | -63.8 | 176.3 | 0 | 0 | 0 | 110.7 | M33 H35 L52 V131 K132 L134 | M33-L54 HydrophobicContact SD-CD2 4.31Å; H35-L54 HydrophobicContact CB-CD2 4.41Å; L52-L54 PolarHBondContact O-N 3.45Å; L54-V131 CarbonylContact O-C 3.59Å; L54-V131 WeakPolarHBondContact O-CA 3.48Å; L54-K132 PolarHBondContact N-O 3.49Å; L54-K132 PolarHBondContact O-N 3.15Å; L54-L134 HydrophobicContact CD1-CD1 3.44Å; L54-L134 VanDerWaalsContact CD1-CD1 3.44Å; L54-L134 HydrophobicContact CD1-CG 4.12Å |
| 55 | S | 88.8 | Confident | 90.3 | Very high | 45 Ų | 45 | 84.5 Ų | 84.5 | 32% | 0.315 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 118.5 | 171.1 | 72 | 0 | 0 | 0 | 0 | 110.6 | M33 K129 E130 | M33-S55 WeakPolarHBondContact CE-O 3.32Å; S55-K129 VanDerWaalsContact OG-CE 3.26Å; S55-K129 WeakPolarHBondContact OG-CE 3.29Å; S55-E130 CarbonylContact C-O 3.52Å; S55-E130 WeakPolarHBondContact CA-O 3.44Å |
| 56 | K | 89.5 | Confident | 90 | Very high | 86 Ų | 86 | 78.8 Ų | 78.8 | 37% | 0.374 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 152.5 | 177.7 | 58.2 | 170 | -177.5 | 166.4 | 0 | 110.8 | V58 E130 | K56-V58 HydrophobicContact CD-CG1 3.78Å; K56-V58 HydrophobicContact CG-CG1 3.98Å; K56-E130 WeakPolarHBondContact CE-OE2 3.29Å; K56-E130 PolarHBondContact N-O 3.34Å; K56-E130 IonicContact NZ-OE2 3.29Å; K56-E130 PolarHBondContact NZ-OE2 3.03Å; K56-E130 PolarHBondContact O-N 3.17Å |
| 57 | N | 90.1 | Very high | 89.8 | Confident | 120 Ų | 120 | 72.8 Ų | 72.8 | 64% | 0.642 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124.9 | 168.6 | -66 | -36 | 0 | 0 | 0 | 108.5 | I128 | N57-I128 WeakPolarHBondContact CA-O 3.25Å |
| 58 | V | 91.7 | Very high | 89.7 | Confident | 31 Ų | 31 | 70.2 Ų | 70.2 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 156 | 175.1 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | K56 C60 V127 I128 E130 | K56-V58 HydrophobicContact CD-CG1 3.78Å; K56-V58 HydrophobicContact CG-CG1 3.98Å; V58-C60 PolarHBondContact O-N 2.82Å; V58-V127 CarbonylContact O-C 3.5Å; V58-V127 WeakPolarHBondContact O-CA 3.34Å; V58-V127 WeakPolarHBondContact O-CB 3.13Å; V58-I128 HydrophobicContact CG2-CD1 4.21Å; V58-I128 HydrophobicContact CG2-CG1 3.61Å; V58-I128 PolarHBondContact N-O 2.96Å; V58-I128 PolarHBondContact O-N 2.97Å; V58-E130 HydrophobicContact CG1-CB 4.23Å; V58-E130 WeakPolarHBondContact CG1-OE2 3.23Å; V58-E130 HydrophobicContact CG2-CB 3.76Å |
| 59 | L | 92.3 | Very high | 89.6 | Confident | 124 Ų | 124 | 70.9 Ų | 70.9 | 65% | 0.649 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 136.5 | 173.1 | -66.7 | 174.7 | 0 | 0 | 0 | 109.4 | S61 V127 | L59-S61 PolarHBondContact O-N 2.82Å; L59-S61 VanDerWaalsContact O-N 3.12Å; L59-V127 HydrophobicContact CD2-CG1 4.39Å |
| 60 | C | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | trans | -62.7 | 118.1 | 178.7 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | V58 A62 C63 S64 G65 C122 K126 I128 | V58-C60 PolarHBondContact O-N 2.82Å; C60-A62 PolarHBondContact O-N 2.87Å; C60-C63 VanDerWaalsContact CB-SG 3.6Å; C60-C63 PolarHBondContact O-N 2.85Å; C60-S64 VanDerWaalsContact O-CA 3.29Å; C60-S64 WeakPolarHBondContact O-CA 3.3Å; C60-S64 PolarHBondContact O-N 2.99Å; C60-G65 PolarHBondContact O-N 3.24Å; C60-C122 HydrophobicContact CB-CB 3.82Å; C60-K126 VanDerWaalsContact CB-O 3.27Å; C60-K126 WeakPolarHBondContact CB-O 3.24Å; C60-K126 PolarHBondContact N-O 3.47Å; C60-I128 HydrophobicContact CB-CG2 4.01Å | ||
| 61 | S | 91.5 | Very high | 89.2 | Confident | 88 Ų | 88 | 69.5 Ų | 69.5 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25.8 | -179.1 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | L59 | L59-S61 PolarHBondContact O-N 2.82Å; L59-S61 VanDerWaalsContact O-N 3.12Å |
| 62 | A | 90.6 | Very high | 89.1 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 47% | 0.471 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -26.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | C60 K121 | C60-A62 PolarHBondContact O-N 2.87Å; A62-K121 HydrophobicContact CB-CB 4.33Å; A62-K121 HydrophobicContact CB-CD 3.68Å; A62-K121 HydrophobicContact CB-CG 4.04Å |
| 63 | C | 90 | Very high | 89.2 | Confident | 11 Ų | 11 | 61.3 Ų | 61.3 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 7.6 | 179.1 | 64.9 | 0 | 0 | 0 | 0 | 113 | C60 G65 Q66 G67 G68 C119 | C60-C63 VanDerWaalsContact CB-SG 3.6Å; C60-C63 PolarHBondContact O-N 2.85Å; C63-G65 PolarHBondContact O-N 3.36Å; C63-Q66 VanDerWaalsContact O-CB 3.27Å; C63-Q66 WeakPolarHBondContact O-CB 3.26Å; C63-Q66 WeakPolarHBondContact O-CG 3.48Å; C63-Q66 PolarHBondContact O-N 3.39Å; C63-G67 PolarHBondContact SG-N 2.87Å; C63-G68 WeakPolarHBondContact CB-O 3.4Å; C63-C119 HydrophobicContact CB-CB 3.87Å |
| 64 | S | 90.4 | Very high | 89.3 | Confident | 95 Ų | 95 | 60.2 Ų | 60.2 | 66% | 0.664 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 36.6 | -178.1 | -56.9 | 0 | 0 | 0 | 0 | 113.7 | C60 | C60-S64 VanDerWaalsContact O-CA 3.29Å; C60-S64 WeakPolarHBondContact O-CA 3.3Å; C60-S64 PolarHBondContact O-N 2.99Å |
| 65 | G | 88.4 | Confident | 89.4 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 6.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | C60 C63 K126 | C60-G65 PolarHBondContact O-N 3.24Å; C63-G65 PolarHBondContact O-N 3.36Å; G65-K126 VanDerWaalsContact O-CB 3.32Å; G65-K126 WeakPolarHBondContact O-CB 3.13Å; G65-K126 VanDerWaalsContact O-CD 3.31Å; G65-K126 WeakPolarHBondContact O-CD 3.26Å; G65-K126 VanDerWaalsContact O-CG 3.22Å; G65-K126 WeakPolarHBondContact O-CG 3.33Å |
| 66 | Q | 89.1 | Confident | 89.6 | Confident | 83 Ų | 83 | 64 Ų | 64 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -76.9 | -29.3 | 176.5 | -64.1 | -179.2 | 7.7 | 0 | 0 | 112.8 | C63 G68 V73 K126 | C63-Q66 VanDerWaalsContact O-CB 3.27Å; C63-Q66 WeakPolarHBondContact O-CB 3.26Å; C63-Q66 WeakPolarHBondContact O-CG 3.48Å; C63-Q66 PolarHBondContact O-N 3.39Å; Q66-G68 PolarHBondContact O-N 3.07Å; Q66-V73 HydrophobicContact CB-CG2 4.39Å; Q66-V73 WeakPolarHBondContact O-CG2 3.1Å; Q66-K126 WeakPolarHBondContact O-CE 3.18Å |
| 67 | G | 88 | Confident | 89.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 85.9 | -15.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C63 C119 G124 | C63-G67 PolarHBondContact SG-N 2.87Å; G67-C119 VanDerWaalsContact O-CB 3.3Å; G67-C119 WeakPolarHBondContact O-CB 3.21Å; G67-C119 PolarHBondContact O-N 2.86Å; G67-G124 WeakPolarHBondContact O-CA 3.33Å |
| 68 | G | 90.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -140 | -171.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C63 Q66 D117 | C63-G68 WeakPolarHBondContact CB-O 3.4Å; Q66-G68 PolarHBondContact O-N 3.07Å; G68-D117 CarbonylContact C-O 3.56Å; G68-D117 WeakPolarHBondContact CA-O 3.29Å |
| 69 | K | 88.6 | Confident | 89.7 | Confident | 125 Ų | 125 | 59.8 Ų | 59.8 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -61.7 | 157 | 166.6 | -68.3 | -179.7 | -166.7 | 150.6 | 0 | 110.7 | G71 A72 D117 | K69-G71 PolarHBondContact O-N 2.85Å; K69-A72 HydrophobicContact CB-CB 4.14Å; K69-A72 VanDerWaalsContact O-CB 3.24Å; K69-A72 WeakPolarHBondContact O-CB 3.48Å; K69-A72 PolarHBondContact O-N 2.93Å; K69-D117 HydrophobicContact CB-CB 4.49Å; K69-D117 HydrophobicContact CD-CB 4.41Å; K69-D117 WeakPolarHBondContact CD-OD1 3.43Å; K69-D117 HydrophobicContact CG-CB 4.49Å; K69-D117 PolarHBondContact N-O 3.11Å; K69-D117 IonicContact NZ-OD1 2.8Å; K69-D117 PolarHBondContact NZ-OD1 3.23Å |
| 70 | S | 84.7 | Confident | 89.7 | Confident | 109 Ų | 109 | 64.1 Ų | 64.1 | 76% | 0.762 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 125.1 | 175.4 | -54 | 0 | 0 | 0 | 0 | 110.9 | A72 | S70-A72 VanDerWaalsContact C-N 3.27Å; S70-A72 PolarHBondContact O-N 3.18Å |
| 71 | G | 84.2 | Confident | 89.5 | Confident | 61 Ų | 61 | 66 Ų | 66 | 63% | 0.629 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -4.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | K69 V73 Q74 | K69-G71 PolarHBondContact O-N 2.85Å; G71-V73 VanDerWaalsContact C-N 3.3Å; G71-Q74 PolarHBondContact O-NE2 3.34Å |
| 72 | A | 86.3 | Confident | 89.4 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | trans | -78.6 | -15.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | K69 S70 Q74 D117 | K69-A72 HydrophobicContact CB-CB 4.14Å; K69-A72 VanDerWaalsContact O-CB 3.24Å; K69-A72 WeakPolarHBondContact O-CB 3.48Å; K69-A72 PolarHBondContact O-N 2.93Å; S70-A72 VanDerWaalsContact C-N 3.27Å; S70-A72 PolarHBondContact O-N 3.18Å; A72-Q74 PolarHBondContact O-N 2.89Å; A72-D117 HydrophobicContact CB-CB 3.45Å; A72-D117 VanDerWaalsContact CB-CB 3.45Å | ||
| 73 | V | 88.5 | Confident | 89.4 | Confident | 37 Ų | 37 | 68 Ų | 68 | 22% | 0.224 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 115.4 | 177.5 | -175 | 0 | 0 | 0 | 0 | 108.8 | Q66 G71 E111 I113 | Q66-V73 HydrophobicContact CB-CG2 4.39Å; Q66-V73 WeakPolarHBondContact O-CG2 3.1Å; G71-V73 VanDerWaalsContact C-N 3.3Å; V73-E111 HydrophobicContact CG1-CB 3.81Å; V73-E111 VanDerWaalsContact CG1-CD 3.42Å; V73-E111 HydrophobicContact CG1-CG 3.89Å; V73-E111 VanDerWaalsContact CG1-OE2 3.27Å; V73-E111 WeakPolarHBondContact CG1-OE2 3.26Å; V73-I113 HydrophobicContact CG2-CD1 4.13Å; V73-I113 HydrophobicContact CG2-CG1 4.14Å |
| 74 | Q | 90.1 | Very high | 89.6 | Confident | 116 Ų | 116 | 69.9 Ų | 69.9 | 54% | 0.542 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 145.8 | 178.6 | -64.3 | -61.9 | -34.3 | 0 | 0 | 110 | G71 A72 C76 E111 V112 | G71-Q74 PolarHBondContact O-NE2 3.34Å; A72-Q74 PolarHBondContact O-N 2.89Å; Q74-C76 PolarHBondContact O-N 3.38Å; Q74-E111 CarbonylContact O-C 3.35Å; Q74-E111 VanDerWaalsContact O-CA 3.29Å; Q74-E111 WeakPolarHBondContact O-CA 3.24Å; Q74-V112 PolarHBondContact N-O 2.9Å; Q74-V112 PolarHBondContact O-N 3.29Å |
| 75 | K | 91.5 | Very high | 89.6 | Confident | 168 Ų | 168 | 69.3 Ų | 69.3 | 73% | 0.73 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 136.7 | 173.4 | -68.7 | -178.6 | -177.9 | 176.3 | 0 | 109 | S77 | K75-S77 PolarHBondContact O-N 2.88Å; K75-S77 VanDerWaalsContact O-N 3.12Å |
| 76 | C | 92.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.014 | 38% | 0.383 | C | S | . | . | trans | -62 | 116.4 | 174.9 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | Q74 A78 C79 R80 G81 C106 G110 V112 | Q74-C76 PolarHBondContact O-N 3.38Å; C76-A78 PolarHBondContact O-N 3.35Å; C76-C79 VanDerWaalsContact CB-SG 3.53Å; C76-R80 WeakPolarHBondContact O-CA 3.07Å; C76-R80 PolarHBondContact O-N 3.1Å; C76-G81 PolarHBondContact O-N 3.4Å; C76-C106 HydrophobicContact CB-CB 3.75Å; C76-C106 VanDerWaalsContact SG-SG 3.68Å; C76-G110 WeakPolarHBondContact CB-O 3.33Å; C76-G110 PolarHBondContact N-O 3.44Å; C76-V112 HydrophobicContact CB-CG2 3.88Å | ||
| 77 | S | 92 | Very high | 89.4 | Confident | 110 Ų | 110 | 74.3 Ų | 74.3 | 77% | 0.769 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -35.5 | -179.2 | 53.3 | 0 | 0 | 0 | 0 | 112 | K75 | K75-S77 PolarHBondContact O-N 2.88Å; K75-S77 VanDerWaalsContact O-N 3.12Å |
| 78 | A | 90.9 | Very high | 89.3 | Confident | 31 Ų | 31 | 79.7 Ų | 79.7 | 26% | 0.256 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -41.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C76 R85 D105 | C76-A78 PolarHBondContact O-N 3.35Å; A78-R85 VanDerWaalsContact CB-CZ 3.47Å; A78-D105 HydrophobicContact CB-CB 3.98Å; A78-D105 WeakPolarHBondContact CB-OD2 3.39Å |
| 79 | C | 91.9 | Very high | 89.1 | Confident | 7 Ų | 7 | 87.2 Ų | 87.2 | 5% | 0.047 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 2.1 | 175.8 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | C76 G81 R82 G83 V84 C103 | C76-C79 VanDerWaalsContact CB-SG 3.53Å; C79-G81 PolarHBondContact O-N 2.78Å; C79-R82 HydrophobicContact CB-CB 4.44Å; C79-R82 VanDerWaalsContact O-CB 3.23Å; C79-R82 WeakPolarHBondContact O-CB 3.29Å; C79-R82 VanDerWaalsContact O-CG 3.29Å; C79-R82 WeakPolarHBondContact O-CG 3.5Å; C79-R82 PolarHBondContact O-N 3.21Å; C79-G83 PolarHBondContact SG-N 2.99Å; C79-V84 WeakPolarHBondContact CB-O 3.27Å; C79-C103 HydrophobicContact CB-CB 3.76Å |
| 80 | R | 90.9 | Very high | 88.9 | Confident | 215 Ų | 215 | 87.6 Ų | 87.6 | 81% | 0.811 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 40.5 | -176.5 | -56.5 | -178.6 | -174.9 | 178.4 | 1.1 | 112.9 | C76 | C76-R80 WeakPolarHBondContact O-CA 3.07Å; C76-R80 PolarHBondContact O-N 3.1Å |
| 81 | G | 89.3 | Confident | 89 | Confident | 39 Ų | 39 | 87 Ų | 87 | 40% | 0.402 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 2.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | C76 C79 G110 | C76-G81 PolarHBondContact O-N 3.4Å; C79-G81 PolarHBondContact O-N 2.78Å; G81-G110 WeakPolarHBondContact CA-O 3.31Å |
| 82 | R | 90.4 | Very high | 89.2 | Confident | 184 Ų | 184 | 85.9 Ų | 85.9 | 69% | 0.694 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -81.8 | -18.5 | -178 | -64.1 | 178.1 | 179.1 | -178 | -0.9 | 114.3 | C79 V84 | C79-R82 HydrophobicContact CB-CB 4.44Å; C79-R82 VanDerWaalsContact O-CB 3.23Å; C79-R82 WeakPolarHBondContact O-CB 3.29Å; C79-R82 VanDerWaalsContact O-CG 3.29Å; C79-R82 WeakPolarHBondContact O-CG 3.5Å; C79-R82 PolarHBondContact O-N 3.21Å; R82-V84 HydrophobicContact CB-CG2 4.28Å; R82-V84 PolarHBondContact O-N 3.39Å |
| 83 | G | 90.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 91.5 Ų | 91.5 | 2% | 0.021 | 46% | 0.458 | C | S | . | . | S | Bend | trans | 72.2 | -12.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | C79 C103 G108 | C79-G83 PolarHBondContact SG-N 2.99Å; G83-C103 VanDerWaalsContact O-CB 3.25Å; G83-C103 WeakPolarHBondContact O-CB 3.18Å; G83-C103 PolarHBondContact O-N 3.38Å; G83-G108 WeakPolarHBondContact O-CA 3.37Å |
| 84 | V | 92.6 | Very high | 89 | Confident | 52 Ų | 52 | 93.7 Ų | 93.7 | 32% | 0.315 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145.9 | -178.7 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | C79 R82 S101 | C79-V84 WeakPolarHBondContact CB-O 3.27Å; R82-V84 HydrophobicContact CB-CG2 4.28Å; R82-V84 PolarHBondContact O-N 3.39Å; V84-S101 CarbonylContact C-O 3.52Å; V84-S101 VanDerWaalsContact CA-O 3.29Å; V84-S101 WeakPolarHBondContact CA-O 3.34Å; V84-S101 WeakPolarHBondContact CB-O 3.27Å |
| 85 | R | 90.4 | Very high | 88.7 | Confident | 82 Ų | 82 | 93.6 Ų | 93.6 | 31% | 0.309 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 136.5 | 171.8 | -77.4 | -179.3 | 162.3 | 153.7 | -11.2 | 109.7 | A78 S101 C103 S104 D105 | A78-R85 VanDerWaalsContact CB-CZ 3.47Å; R85-S101 PolarHBondContact N-O 2.86Å; R85-S101 PolarHBondContact O-N 3.29Å; R85-S101 PolarHBondContact O-OG 2.68Å; R85-C103 HydrophobicContact CG-CB 4.19Å; R85-S104 PolarHBondContact NH1-OG 3.34Å; R85-D105 IonicContact CZ-OD1 3.68Å; R85-D105 IonicContact CZ-OD2 3.37Å; R85-D105 IonicContact NH1-OD1 2.92Å; R85-D105 PolarHBondContact NH1-OD1 3.38Å; R85-D105 IonicContact NH1-OD2 3.39Å; R85-D105 PolarHBondContact NH1-OD2 2.83Å; R85-D105 IonicContact NH2-OD1 3.66Å; R85-D105 IonicContact NH2-OD2 2.68Å; R85-D105 PolarHBondContact NH2-OD2 2.88Å |
| 86 | I | 88.3 | Confident | 88.5 | Confident | 89 Ų | 89 | 89.8 Ų | 89.8 | 46% | 0.456 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 115 | 174.8 | -57.3 | 172.8 | 0 | 0 | 0 | 107.1 | Q98 | I86-Q98 HydrophobicContact CG2-CB 4.1Å; I86-Q98 HydrophobicContact CG2-CG 4.41Å |
| 87 | M | 85.4 | Confident | 88.2 | Confident | 117 Ų | 117 | 94 Ų | 94 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.9 | 171.5 | -71.2 | -157.1 | -72.2 | 0 | 0 | 109.3 | M99 | M87-M99 PolarHBondContact N-O 2.79Å; M87-M99 PolarHBondContact O-N 3.47Å |
| 88 | I | 86.5 | Confident | 88 | Confident | 112 Ų | 112 | 95.2 Ų | 95.2 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 114.6 | 176.6 | -54 | -179.2 | 0 | 0 | 0 | 107.2 | V96 Q98 | I88-V96 HydrophobicContact CG2-CB 3.76Å; I88-V96 HydrophobicContact CG2-CG1 4.13Å; I88-V96 HydrophobicContact CG2-CG2 4.33Å; I88-Q98 HydrophobicContact CG1-CG 4.36Å |
| 89 | R | 85.9 | Confident | 87.8 | Confident | 162 Ų | 162 | 98 Ų | 98 | 61% | 0.611 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.6 | 174.9 | -171.5 | 174.9 | -176.2 | 178.7 | 0.8 | 109.1 | Q97 | R89-Q97 PolarHBondContact N-O 2.72Å; R89-Q97 PolarHBondContact O-N 3.12Å |
| 90 | Q | 84.6 | Confident | 87.7 | Confident | 133 Ų | 133 | 105.1 Ų | 105.1 | 62% | 0.621 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.4 | 174.2 | -166.6 | 168.7 | 1.1 | 0 | 0 | 109.3 | A92 V96 | Q90-A92 WeakPolarHBondContact CG-O 3.35Å; Q90-A92 PolarHBondContact NE2-O 2.89Å; Q90-V96 HydrophobicContact CB-CG1 4.34Å; Q90-V96 HydrophobicContact CG-CG1 4.19Å |
| 91 | L | 86.6 | Confident | 87.7 | Confident | 97 Ų | 97 | 96.4 Ų | 96.4 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -34 | 179.5 | -66 | 171.9 | 0 | 0 | 0 | 111.4 | M95 Q97 | L91-M95 HydrophobicContact CB-CE 4.41Å; L91-M95 PolarHBondContact N-O 3.44Å; L91-Q97 HydrophobicContact CD1-CB 3.9Å; L91-Q97 HydrophobicContact CG-CB 4.38Å |
| 92 | A | 87.9 | Confident | 87.9 | Confident | 37 Ų | 37 | 99.3 Ų | 99.3 | 31% | 0.306 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 166.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q90 G94 M95 | Q90-A92 WeakPolarHBondContact CG-O 3.35Å; Q90-A92 PolarHBondContact NE2-O 2.89Å; A92-G94 PolarHBondContact O-N 3.12Å; A92-M95 HydrophobicContact CB-CB 3.98Å; A92-M95 PolarHBondContact N-O 3.47Å; A92-M95 PolarHBondContact O-N 3.2Å |
| 93 | P | 86.3 | Confident | 88.1 | Confident | 129 Ų | 129 | 90.6 Ų | 90.6 | 84% | 0.838 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 122.3 | 169.8 | -24.1 | 34.7 | 0 | 0 | 0 | 110.4 | M95 | P93-M95 VanDerWaalsContact C-N 3.27Å; P93-M95 PolarHBondContact O-N 3.27Å |
| 94 | G | 85.3 | Confident | 88.1 | Confident | 83 Ų | 83 | 94.1 Ų | 94.1 | 86% | 0.856 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | -4.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | A92 | A92-G94 PolarHBondContact O-N 3.12Š|
| 95 | M | 83.1 | Confident | 88 | Confident | 114 Ų | 114 | 95.6 Ų | 95.6 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 106.3 | -177.5 | -124.8 | 175.8 | 68.8 | 0 | 0 | 111.2 | L91 A92 P93 | L91-M95 HydrophobicContact CB-CE 4.41Å; L91-M95 PolarHBondContact N-O 3.44Å; A92-M95 HydrophobicContact CB-CB 3.98Å; A92-M95 PolarHBondContact N-O 3.47Å; A92-M95 PolarHBondContact O-N 3.2Å; P93-M95 VanDerWaalsContact C-N 3.27Å; P93-M95 PolarHBondContact O-N 3.27Å |
| 96 | V | 87.2 | Confident | 88 | Confident | 88 Ų | 88 | 92.1 Ų | 92.1 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.9 | 178 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | I88 Q90 | I88-V96 HydrophobicContact CG2-CB 3.76Å; I88-V96 HydrophobicContact CG2-CG1 4.13Å; I88-V96 HydrophobicContact CG2-CG2 4.33Å; Q90-V96 HydrophobicContact CB-CG1 4.34Å; Q90-V96 HydrophobicContact CG-CG1 4.19Å |
| 97 | Q | 86.7 | Confident | 88.1 | Confident | 92 Ų | 92 | 94.2 Ų | 94.2 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.5 | 173.3 | -172.1 | 177.7 | 20.5 | 0 | 0 | 109.5 | R89 L91 M99 | R89-Q97 PolarHBondContact N-O 2.72Å; R89-Q97 PolarHBondContact O-N 3.12Å; L91-Q97 HydrophobicContact CD1-CB 3.9Å; L91-Q97 HydrophobicContact CG-CB 4.38Å; Q97-M99 HydrophobicContact CG-CG 4.23Å |
| 98 | Q | 87.4 | Confident | 88.2 | Confident | 135 Ų | 135 | 90.4 Ų | 90.4 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 113 | 170.1 | -63.1 | -170.9 | 1 | 0 | 0 | 109.2 | I86 I88 | I86-Q98 HydrophobicContact CG2-CB 4.1Å; I86-Q98 HydrophobicContact CG2-CG 4.41Å; I88-Q98 HydrophobicContact CG1-CG 4.36Å |
| 99 | M | 87.2 | Confident | 88.4 | Confident | 89 Ų | 89 | 90.6 Ų | 90.6 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.3 | 173.8 | -64.8 | -172.7 | 75.8 | 0 | 0 | 109.8 | M87 Q97 | M87-M99 PolarHBondContact N-O 2.79Å; M87-M99 PolarHBondContact O-N 3.47Å; Q97-M99 HydrophobicContact CG-CG 4.23Å |
| 100 | Q | 89.3 | Confident | 88.6 | Confident | 157 Ų | 157 | 83 Ų | 83 | 73% | 0.734 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 123.1 | 169.4 | -65.6 | -177 | 28.3 | 0 | 0 | 108.7 | ||
| 101 | S | 91.2 | Very high | 88.9 | Confident | 31 Ų | 31 | 79.9 Ų | 79.9 | 22% | 0.217 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146.9 | 175.4 | 58 | 0 | 0 | 0 | 0 | 109.3 | V84 R85 C103 | V84-S101 CarbonylContact C-O 3.52Å; V84-S101 VanDerWaalsContact CA-O 3.29Å; V84-S101 WeakPolarHBondContact CA-O 3.34Å; V84-S101 WeakPolarHBondContact CB-O 3.27Å; R85-S101 PolarHBondContact N-O 2.86Å; R85-S101 PolarHBondContact O-N 3.29Å; R85-S101 PolarHBondContact O-OG 2.68Å; S101-C103 PolarHBondContact O-N 3.39Å |
| 102 | V | 93.4 | Very high | 89.1 | Confident | 101 Ų | 101 | 77.8 Ų | 77.8 | 61% | 0.612 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 134.1 | 171.8 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | S104 | V102-S104 PolarHBondContact O-N 2.92Å; V102-S104 VanDerWaalsContact O-N 3.14Å |
| 103 | C | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 44% | 0.44 | C | S | . | . | trans | -66.3 | 115.9 | 177.8 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | C79 G83 R85 S101 D105 C106 N107 G108 | C79-C103 HydrophobicContact CB-CB 3.76Å; G83-C103 VanDerWaalsContact O-CB 3.25Å; G83-C103 WeakPolarHBondContact O-CB 3.18Å; G83-C103 PolarHBondContact O-N 3.38Å; R85-C103 HydrophobicContact CG-CB 4.19Å; S101-C103 PolarHBondContact O-N 3.39Å; C103-D105 PolarHBondContact O-N 3.02Å; C103-C106 PolarHBondContact O-N 3.48Å; C103-N107 VanDerWaalsContact O-CA 3.24Å; C103-N107 WeakPolarHBondContact O-CA 3.27Å; C103-N107 PolarHBondContact O-N 3.14Å; C103-G108 PolarHBondContact O-N 3.38Å | ||
| 104 | S | 91.3 | Very high | 89.4 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 53% | 0.531 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.5 | 177.4 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | R85 V102 C106 N107 | R85-S104 PolarHBondContact NH1-OG 3.34Å; V102-S104 PolarHBondContact O-N 2.92Å; V102-S104 VanDerWaalsContact O-N 3.14Å; S104-C106 VanDerWaalsContact C-N 3.33Å; S104-C106 PolarHBondContact O-N 3.43Å; S104-N107 PolarHBondContact O-OD1 2.82Å |
| 105 | D | 90.5 | Very high | 89.4 | Confident | 84 Ų | 84 | 78.8 Ų | 78.8 | 45% | 0.449 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -24.5 | -170.5 | -55.5 | 8.2 | 0 | 0 | 0 | 112.1 | A78 R85 C103 | A78-D105 HydrophobicContact CB-CB 3.98Å; A78-D105 WeakPolarHBondContact CB-OD2 3.39Å; R85-D105 IonicContact CZ-OD1 3.68Å; R85-D105 IonicContact CZ-OD2 3.37Å; R85-D105 IonicContact NH1-OD1 2.92Å; R85-D105 PolarHBondContact NH1-OD1 3.38Å; R85-D105 IonicContact NH1-OD2 3.39Å; R85-D105 PolarHBondContact NH1-OD2 2.83Å; R85-D105 IonicContact NH2-OD1 3.66Å; R85-D105 IonicContact NH2-OD2 2.68Å; R85-D105 PolarHBondContact NH2-OD2 2.88Å; C103-D105 PolarHBondContact O-N 3.02Å |
| 106 | C | 90 | Very high | 89.7 | Confident | 8 Ų | 8 | 82.6 Ų | 82.6 | 5% | 0.054 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 8.6 | 176.1 | 67.4 | 0 | 0 | 0 | 0 | 113.7 | C76 C103 S104 G108 E109 G110 E111 V112 | C76-C106 HydrophobicContact CB-CB 3.75Å; C76-C106 VanDerWaalsContact SG-SG 3.68Å; C103-C106 PolarHBondContact O-N 3.48Å; S104-C106 VanDerWaalsContact C-N 3.33Å; S104-C106 PolarHBondContact O-N 3.43Å; C106-G108 PolarHBondContact O-N 3.34Å; C106-E109 WeakPolarHBondContact O-CB 3.32Å; C106-E109 PolarHBondContact O-N 2.98Å; C106-G110 PolarHBondContact SG-N 2.99Å; C106-E111 WeakPolarHBondContact CB-O 3.22Å; C106-V112 HydrophobicContact CB-CG2 3.9Å |
| 107 | N | 90.1 | Very high | 89.8 | Confident | 133 Ų | 133 | 80.4 Ų | 80.4 | 71% | 0.711 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 36.2 | -176.9 | -62.7 | -50.2 | 0 | 0 | 0 | 114.9 | C103 S104 | C103-N107 VanDerWaalsContact O-CA 3.24Å; C103-N107 WeakPolarHBondContact O-CA 3.27Å; C103-N107 PolarHBondContact O-N 3.14Å; S104-N107 PolarHBondContact O-OD1 2.82Å |
| 108 | G | 89.2 | Confident | 90 | Very high | 38 Ų | 38 | 81.5 Ų | 81.5 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -9.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | G83 C103 C106 G110 | G83-G108 WeakPolarHBondContact O-CA 3.37Å; C103-G108 PolarHBondContact O-N 3.38Å; C106-G108 PolarHBondContact O-N 3.34Å; G108-G110 VanDerWaalsContact C-N 3.34Å; G108-G110 PolarHBondContact O-N 3.24Å |
| 109 | E | 89.2 | Confident | 90.2 | Very high | 115 Ų | 115 | 75.8 Ų | 75.8 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -73.4 | -24.4 | -177.5 | -62.8 | -164.7 | 160.6 | 0 | 0 | 113.5 | C106 E111 | C106-E109 WeakPolarHBondContact O-CB 3.32Å; C106-E109 PolarHBondContact O-N 2.98Å; E109-E111 PolarHBondContact O-N 2.95Å |
| 110 | G | 89.9 | Confident | 90.4 | Very high | 3 Ų | 3 | 81.2 Ų | 81.2 | 3% | 0.031 | 42% | 0.415 | C | S | . | . | S | Bend | trans | 76.6 | -9.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C76 G81 C106 G108 | C76-G110 WeakPolarHBondContact CB-O 3.33Å; C76-G110 PolarHBondContact N-O 3.44Å; G81-G110 WeakPolarHBondContact CA-O 3.31Å; C106-G110 PolarHBondContact SG-N 2.99Å; G108-G110 VanDerWaalsContact C-N 3.34Å; G108-G110 PolarHBondContact O-N 3.24Å |
| 111 | E | 91 | Very high | 90.5 | Very high | 68 Ų | 68 | 80.5 Ų | 80.5 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 153.6 | 177.8 | -65.1 | 174.6 | 165.2 | 0 | 0 | 109.7 | V73 Q74 C106 E109 K126 | V73-E111 HydrophobicContact CG1-CB 3.81Å; V73-E111 VanDerWaalsContact CG1-CD 3.42Å; V73-E111 HydrophobicContact CG1-CG 3.89Å; V73-E111 VanDerWaalsContact CG1-OE2 3.27Å; V73-E111 WeakPolarHBondContact CG1-OE2 3.26Å; Q74-E111 CarbonylContact O-C 3.35Å; Q74-E111 VanDerWaalsContact O-CA 3.29Å; Q74-E111 WeakPolarHBondContact O-CA 3.24Å; C106-E111 WeakPolarHBondContact CB-O 3.22Å; E109-E111 PolarHBondContact O-N 2.95Å; E111-K126 IonicContact OE2-NZ 2.86Å; E111-K126 PolarHBondContact OE2-NZ 3.06Å |
| 112 | V | 90.9 | Very high | 90.5 | Very high | 53 Ų | 53 | 79.3 Ų | 79.3 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135.8 | 176.1 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | Q74 C76 C106 | Q74-V112 PolarHBondContact N-O 2.9Å; Q74-V112 PolarHBondContact O-N 3.29Å; C76-V112 HydrophobicContact CB-CG2 3.88Å; C106-V112 HydrophobicContact CB-CG2 3.9Å |
| 113 | I | 90.8 | Very high | 90.4 | Very high | 10 Ų | 10 | 80.7 Ų | 80.7 | 5% | 0.051 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123 | 177.9 | -55 | 169.3 | 0 | 0 | 0 | 107.7 | V73 R118 | V73-I113 HydrophobicContact CG2-CD1 4.13Å; V73-I113 HydrophobicContact CG2-CG1 4.14Å; I113-R118 HydrophobicContact CB-CG 4.24Å; I113-R118 HydrophobicContact CG2-CG 3.77Å; I113-R118 PolarHBondContact O-NE 3.19Å |
| 114 | N | 89.4 | Confident | 90.1 | Very high | 101 Ų | 101 | 81 Ų | 81 | 54% | 0.54 | 41% | 0.405 | S | S | . | . | trans | -56.8 | 137.1 | 174.3 | -70.1 | -27.5 | 0 | 0 | 0 | 110.2 | K116 D117 R118 | N114-K116 PolarHBondContact O-N 3.43Å; N114-K116 VanDerWaalsContact O-N 3.15Å; N114-D117 PolarHBondContact O-N 3Å; N114-R118 PolarHBondContact O-N 2.69Å | ||
| 115 | E | 86.8 | Confident | 90 | Very high | 158 Ų | 158 | 83.9 Ų | 83.9 | 74% | 0.738 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -55.4 | -38 | -175.3 | -66.3 | -174.8 | 155.2 | 0 | 0 | 113.2 | D117 R118 | E115-D117 PolarHBondContact O-N 2.8Å; E115-R118 PolarHBondContact O-N 2.85Å |
| 116 | K | 87.8 | Confident | 90 | Very high | 195 Ų | 195 | 82.4 Ų | 82.4 | 85% | 0.848 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -62.7 | -25.5 | 178.4 | -62.3 | -177.3 | -178.6 | 179.5 | 0 | 113.7 | N114 | N114-K116 PolarHBondContact O-N 3.43Å; N114-K116 VanDerWaalsContact O-N 3.15Å |
| 117 | D | 90 | Very high | 90.1 | Very high | 41 Ų | 41 | 84.8 Ų | 84.8 | 22% | 0.219 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -110.3 | 3.8 | -174.9 | -60.4 | -49.3 | 0 | 0 | 0 | 113.1 | G68 K69 A72 N114 E115 | G68-D117 CarbonylContact C-O 3.56Å; G68-D117 WeakPolarHBondContact CA-O 3.29Å; K69-D117 HydrophobicContact CB-CB 4.49Å; K69-D117 HydrophobicContact CD-CB 4.41Å; K69-D117 WeakPolarHBondContact CD-OD1 3.43Å; K69-D117 HydrophobicContact CG-CB 4.49Å; K69-D117 PolarHBondContact N-O 3.11Å; K69-D117 IonicContact NZ-OD1 2.8Å; K69-D117 PolarHBondContact NZ-OD1 3.23Å; A72-D117 HydrophobicContact CB-CB 3.45Å; A72-D117 VanDerWaalsContact CB-CB 3.45Å; N114-D117 PolarHBondContact O-N 3Å; E115-D117 PolarHBondContact O-N 2.8Å |
| 118 | R | 91.1 | Very high | 90.3 | Very high | 116 Ų | 116 | 80.7 Ų | 80.7 | 44% | 0.438 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -62.4 | 140.9 | 171.4 | -71.2 | -176.4 | -175.8 | -176.7 | 3.5 | 110.2 | I113 N114 E115 K120 | I113-R118 HydrophobicContact CB-CG 4.24Å; I113-R118 HydrophobicContact CG2-CG 3.77Å; I113-R118 PolarHBondContact O-NE 3.19Å; N114-R118 PolarHBondContact O-N 2.69Å; E115-R118 PolarHBondContact O-N 2.85Å; R118-K120 PolarHBondContact O-N 2.76Å |
| 119 | C | 92.5 | Very high | 90.4 | Very high | 14 Ų | 14 | 86 Ų | 86 | 10% | 0.095 | 40% | 0.401 | C | S | . | . | trans | -65 | 122 | 175.2 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | C63 G67 K121 C122 E123 | C63-C119 HydrophobicContact CB-CB 3.87Å; G67-C119 VanDerWaalsContact O-CB 3.3Å; G67-C119 WeakPolarHBondContact O-CB 3.21Å; G67-C119 PolarHBondContact O-N 2.86Å; C119-K121 PolarHBondContact O-N 2.72Å; C119-C122 VanDerWaalsContact CB-SG 3.56Å; C119-C122 PolarHBondContact O-N 2.85Å; C119-E123 VanDerWaalsContact O-CA 3.26Å; C119-E123 WeakPolarHBondContact O-CA 3.05Å; C119-E123 PolarHBondContact O-N 3.02Å | ||
| 120 | K | 91.4 | Very high | 90.5 | Very high | 204 Ų | 204 | 84.6 Ų | 84.6 | 89% | 0.887 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.4 | -179.6 | -62.8 | -176.1 | 179.1 | -176.7 | 0 | 113.8 | R118 | R118-K120 PolarHBondContact O-N 2.76Š|
| 121 | K | 91.7 | Very high | 90.5 | Very high | 142 Ų | 142 | 88 Ų | 88 | 62% | 0.617 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -33.9 | -179.2 | -68 | -160.2 | -170.6 | 178.4 | 0 | 114.2 | A62 C119 | A62-K121 HydrophobicContact CB-CB 4.33Å; A62-K121 HydrophobicContact CB-CD 3.68Å; A62-K121 HydrophobicContact CB-CG 4.04Å; C119-K121 PolarHBondContact O-N 2.72Å |
| 122 | C | 90.9 | Very high | 90.3 | Very high | 6 Ų | 6 | 90 Ų | 90 | 4% | 0.041 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -1.3 | -178.9 | 66.9 | 0 | 0 | 0 | 0 | 113.5 | C60 C119 G124 K125 V127 I128 | C60-C122 HydrophobicContact CB-CB 3.82Å; C119-C122 VanDerWaalsContact CB-SG 3.56Å; C119-C122 PolarHBondContact O-N 2.85Å; C122-G124 PolarHBondContact O-N 2.81Å; C122-G124 VanDerWaalsContact O-N 3.12Å; C122-K125 WeakPolarHBondContact O-CB 3.35Å; C122-K125 WeakPolarHBondContact O-CG 3.4Å; C122-K125 PolarHBondContact O-N 3.45Å; C122-V127 WeakPolarHBondContact CB-O 3.35Å; C122-I128 HydrophobicContact CB-CG2 3.95Å |
| 123 | E | 89.6 | Confident | 90.1 | Very high | 129 Ų | 129 | 92.8 Ų | 92.8 | 60% | 0.603 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 28.5 | 178.6 | -55.6 | 175.4 | 155.2 | 0 | 0 | 113.8 | C119 K125 | C119-E123 VanDerWaalsContact O-CA 3.26Å; C119-E123 WeakPolarHBondContact O-CA 3.05Å; C119-E123 PolarHBondContact O-N 3.02Å; E123-K125 IonicContact OE2-NZ 3.4Å |
| 124 | G | 87.6 | Confident | 89.7 | Confident | 8 Ų | 8 | 98.6 Ų | 98.6 | 8% | 0.082 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -12.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G67 C122 K126 | G67-G124 WeakPolarHBondContact O-CA 3.33Å; C122-G124 PolarHBondContact O-N 2.81Å; C122-G124 VanDerWaalsContact O-N 3.12Å; G124-K126 PolarHBondContact O-N 2.81Å; G124-K126 VanDerWaalsContact O-N 3.1Å |
| 125 | K | 89.1 | Confident | 89.7 | Confident | 136 Ų | 136 | 98.5 Ų | 98.5 | 59% | 0.591 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -71.6 | -4.7 | -175.6 | -60.9 | 173.1 | -178.2 | 159.2 | 0 | 114.8 | C122 E123 V127 | C122-K125 WeakPolarHBondContact O-CB 3.35Å; C122-K125 WeakPolarHBondContact O-CG 3.4Å; C122-K125 PolarHBondContact O-N 3.45Å; E123-K125 IonicContact OE2-NZ 3.4Å; K125-V127 PolarHBondContact O-N 3.36Å |
| 126 | K | 90.7 | Very high | 89.9 | Confident | 53 Ų | 53 | 95.4 Ų | 95.4 | 23% | 0.23 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 64.9 | -21.6 | 179.4 | -56.4 | 176.6 | 176.9 | -179.2 | 0 | 115.4 | C60 G65 Q66 E111 G124 | C60-K126 VanDerWaalsContact CB-O 3.27Å; C60-K126 WeakPolarHBondContact CB-O 3.24Å; C60-K126 PolarHBondContact N-O 3.47Å; G65-K126 VanDerWaalsContact O-CB 3.32Å; G65-K126 WeakPolarHBondContact O-CB 3.13Å; G65-K126 VanDerWaalsContact O-CD 3.31Å; G65-K126 WeakPolarHBondContact O-CD 3.26Å; G65-K126 VanDerWaalsContact O-CG 3.22Å; G65-K126 WeakPolarHBondContact O-CG 3.33Å; Q66-K126 WeakPolarHBondContact O-CE 3.18Å; E111-K126 IonicContact OE2-NZ 2.86Å; E111-K126 PolarHBondContact OE2-NZ 3.06Å; G124-K126 PolarHBondContact O-N 2.81Å; G124-K126 VanDerWaalsContact O-N 3.1Å |
| 127 | V | 92.9 | Very high | 90 | Very high | 57 Ų | 57 | 89.8 Ų | 89.8 | 35% | 0.345 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 158 | 178.7 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | V58 L59 C122 K125 | V58-V127 CarbonylContact O-C 3.5Å; V58-V127 WeakPolarHBondContact O-CA 3.34Å; V58-V127 WeakPolarHBondContact O-CB 3.13Å; L59-V127 HydrophobicContact CD2-CG1 4.39Å; C122-V127 WeakPolarHBondContact CB-O 3.35Å; K125-V127 PolarHBondContact O-N 3.36Å |
| 128 | I | 93.9 | Very high | 90 | Very high | 48 Ų | 48 | 92.7 Ų | 92.7 | 25% | 0.246 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 149.4 | 172 | 59.9 | 177.5 | 0 | 0 | 0 | 109.3 | N57 V58 C60 C122 | N57-I128 WeakPolarHBondContact CA-O 3.25Å; V58-I128 HydrophobicContact CG2-CD1 4.21Å; V58-I128 HydrophobicContact CG2-CG1 3.61Å; V58-I128 PolarHBondContact N-O 2.96Å; V58-I128 PolarHBondContact O-N 2.97Å; C60-I128 HydrophobicContact CB-CG2 4.01Å; C122-I128 HydrophobicContact CB-CG2 3.95Å |
| 129 | K | 91.6 | Very high | 89.9 | Confident | 149 Ų | 149 | 91.3 Ų | 91.3 | 65% | 0.648 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 118.6 | 175.6 | -168.5 | 173.4 | -179.3 | 177.5 | 0 | 108.8 | S55 | S55-K129 VanDerWaalsContact OG-CE 3.26Å; S55-K129 WeakPolarHBondContact OG-CE 3.29Å |
| 130 | E | 90.8 | Very high | 89.8 | Confident | 86 Ų | 86 | 96.4 Ų | 96.4 | 40% | 0.402 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.6 | 177.2 | -172.8 | -177 | -155.9 | 0 | 0 | 109.2 | S55 K56 V58 | S55-E130 CarbonylContact C-O 3.52Å; S55-E130 WeakPolarHBondContact CA-O 3.44Å; K56-E130 WeakPolarHBondContact CE-OE2 3.29Å; K56-E130 PolarHBondContact N-O 3.34Å; K56-E130 IonicContact NZ-OE2 3.29Å; K56-E130 PolarHBondContact NZ-OE2 3.03Å; K56-E130 PolarHBondContact O-N 3.17Å; V58-E130 HydrophobicContact CG1-CB 4.23Å; V58-E130 WeakPolarHBondContact CG1-OE2 3.23Å; V58-E130 HydrophobicContact CG2-CB 3.76Å |
| 131 | V | 90.3 | Very high | 89.6 | Confident | 75 Ų | 75 | 88.7 Ų | 88.7 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.9 | 175 | 177 | 0 | 0 | 0 | 0 | 107.9 | Q53 L54 | Q53-V131 HydrophobicContact CG-CG1 3.29Å; Q53-V131 VanDerWaalsContact NE2-CG1 3.3Å; L54-V131 CarbonylContact O-C 3.59Å; L54-V131 WeakPolarHBondContact O-CA 3.48Å |
| 132 | K | 87.4 | Confident | 89.5 | Confident | 110 Ų | 110 | 84.6 Ų | 84.6 | 48% | 0.478 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.2 | 175.5 | -171 | 173.2 | -178.3 | -176.7 | 0 | 109.4 | L54 L134 | L54-K132 PolarHBondContact N-O 3.49Å; L54-K132 PolarHBondContact O-N 3.15Å; K132-L134 HydrophobicContact CD-CD2 4.03Å; K132-L134 HydrophobicContact CG-CD2 4.22Å |
| 133 | I | 86.8 | Confident | 89.4 | Confident | 111 Ų | 111 | 91.2 Ų | 91.2 | 57% | 0.569 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.2 | 169.7 | -56.5 | 173.5 | 0 | 0 | 0 | 107 | K51 L52 | K51-I133 HydrophobicContact CB-CG2 3.94Å; K51-I133 HydrophobicContact CD-CG2 4.44Å; K51-I133 HydrophobicContact CG-CG2 4.48Å; L52-I133 CarbonylContact O-C 3.42Å; L52-I133 VanDerWaalsContact O-CA 3.31Å; L52-I133 WeakPolarHBondContact O-CA 3.44Å |
| 134 | L | 81.9 | Confident | 89.4 | Confident | 132 Ų | 132 | 87.7 Ų | 87.7 | 69% | 0.691 | 43% | 0.431 | S | S | * | . | trans | -103.1 | 0 | 169.8 | -63.1 | -175.5 | 0 | 0 | 0 | 110.3 | K51 L52 L54 K132 | K51-L134 CarbonylContact C-O 3.58Å; K51-L134 VanDerWaalsContact CA-O 3.32Å; K51-L134 WeakPolarHBondContact CA-O 3.44Å; L52-L134 HydrophobicContact CB-CB 4.5Å; L52-L134 PolarHBondContact N-O 3.14Å; L52-L134 PolarHBondContact O-N 3.31Å; L54-L134 HydrophobicContact CD1-CD1 3.44Å; L54-L134 VanDerWaalsContact CD1-CD1 3.44Å; L54-L134 HydrophobicContact CD1-CG 4.12Å; K132-L134 HydrophobicContact CD-CD2 4.03Å; K132-L134 HydrophobicContact CG-CD2 4.22Å |
Retrieved 134 of 134 residues in 46.6 ms
(Link to these results)