| 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 | 47 | Very low | 42.9 | Very low | 257 Ų | 257 | 151 Ų | 151 | 100% | 1.266 | 79% | 0.793 | S | S | * | * | 0 | 129.1 | 0 | -71.5 | -172 | 173.9 | 0 | 0 | 106.5 | |||||
| 2 | G | 42 | Very low | 42.8 | Very low | 79 Ų | 79 | 149.5 Ų | 149.5 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | 118.6 | 55.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | K4 | G2-K4 PolarHBondContact O-N 3.15Š| ||
| 3 | S | 48.4 | Very low | 42.3 | Very low | 126 Ų | 126 | 151.8 Ų | 151.8 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | -69.6 | 113.1 | 155.9 | -52.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 4 | K | 44.5 | Very low | 42 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -163.9 | 66.8 | 150.8 | -144.1 | 172 | 175.7 | 63.3 | 0 | 111.1 | G2 | G2-K4 PolarHBondContact O-N 3.15Š| ||
| 5 | E | 37.8 | Very low | 41.7 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -61.6 | 144.7 | 140.3 | -112.3 | 161.7 | 92.7 | 0 | 0 | 107.9 | ||||
| 6 | E | 47.5 | Very low | 41.4 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | trans | 73.9 | 96.7 | 155.1 | -59.1 | 172.3 | 93.1 | 0 | 0 | 117.8 | ||||
| 7 | K | 44.6 | Very low | 41.2 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | -124.3 | 101.4 | 130.3 | -80.9 | -165.4 | 173.5 | -172 | 0 | 105.1 | ||||
| 8 | S | 37 | Very low | 41.2 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | 56.3 | 108.7 | 67.5 | -38.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 9 | D | 35.1 | Very low | 41.4 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | 79.6 | 100.6 | 135.4 | -149 | -113.6 | 0 | 0 | 0 | 117.1 | ||||
| 10 | E | 46 | Very low | 41.9 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | -164.6 | 89.2 | 121.9 | -167.3 | 82.7 | 76.2 | 0 | 0 | 106.5 | |||||
| 11 | K | 41.6 | Very low | 42.5 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | 59.4 | 108.8 | 79.9 | -179.1 | 154.3 | 178 | 173.3 | 0 | 113.5 | |||||
| 12 | V | 41.6 | Very low | 42.9 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | -163.4 | 97.6 | 126.6 | 171.1 | 0 | 0 | 0 | 0 | 104.5 | |||||
| 13 | K | 37.1 | Very low | 43.6 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | 63.6 | 95 | 91.7 | -172.8 | -176 | 178.1 | -175.8 | 0 | 113 | |||||
| 14 | A | 37.9 | Very low | 43.8 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | 32.7 | 131.3 | 129.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 15 | P | 37.4 | Very low | 44.5 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | -130.4 | 131.5 | 64.7 | 35.6 | -21.9 | 0 | 0 | 0 | 111.5 | |||||
| 16 | A | 36.6 | Very low | 45.7 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | 47 | 94.8 | 66.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 17 | A | 38.7 | Very low | 46.5 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | trans | 80.7 | 87.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 18 | E | 40.5 | Very low | 47.4 | Very low | 175 Ų | 175 | 124.5 Ų | 124.5 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | -146.5 | 95.6 | 118.8 | -107.4 | 179.6 | 83.7 | 0 | 0 | 103.7 | V20 | E18-V20 PolarHBondContact O-N 3.5Å; E18-V20 VanDerWaalsContact O-N 3.13Å | |||
| 19 | A | 46.2 | Very low | 48.5 | Very low | 76 Ų | 76 | 124.7 Ų | 124.7 | 63% | 0.628 | 69% | 0.69 | S | S | * | * | 31.4 | 35.9 | 65.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E21 | A19-E21 VanDerWaalsContact C-N 3.26Å; A19-E21 PolarHBondContact O-N 3.03Å; A19-E21 VanDerWaalsContact O-N 3.16Å | |||
| 20 | V | 50.1 | Low | 50 | Low | 102 Ų | 102 | 123.5 Ų | 123.5 | 62% | 0.618 | 69% | 0.688 | S | S | * | * | trans | -79.6 | 92.5 | 158.2 | 72.2 | 0 | 0 | 0 | 0 | 105.7 | E18 V22 | E18-V20 PolarHBondContact O-N 3.5Å; E18-V20 VanDerWaalsContact O-N 3.13Å; V20-V22 HydrophobicContact CG2-CB 4.2Å; V20-V22 PolarHBondContact O-N 3.31Å | ||
| 21 | E | 55.9 | Low | 51.1 | Low | 173 Ų | 173 | 121.3 Ų | 121.3 | 81% | 0.808 | 68% | 0.681 | S | S | * | * | trans | -63.8 | 64.9 | 167 | -21.1 | -102.2 | 113.8 | 0 | 0 | 107.6 | A19 V23 | A19-E21 VanDerWaalsContact C-N 3.26Å; A19-E21 PolarHBondContact O-N 3.03Å; A19-E21 VanDerWaalsContact O-N 3.16Å; E21-V23 PolarHBondContact O-N 2.75Å; E21-V23 VanDerWaalsContact O-N 3.11Å | ||
| 22 | V | 54.9 | Low | 52.3 | Low | 115 Ų | 115 | 120.3 Ų | 120.3 | 70% | 0.697 | 68% | 0.678 | S | S | * | * | trans | -86.1 | 92.9 | 175.8 | 104 | 0 | 0 | 0 | 0 | 106.7 | V20 | V20-V22 HydrophobicContact CG2-CB 4.2Å; V20-V22 PolarHBondContact O-N 3.31Å | ||
| 23 | V | 55.9 | Low | 53.4 | Low | 105 Ų | 105 | 120.5 Ų | 120.5 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | trans | 21.2 | 106.8 | 153.9 | -177.7 | 0 | 0 | 0 | 0 | 113.4 | E21 N25 | E21-V23 PolarHBondContact O-N 2.75Å; E21-V23 VanDerWaalsContact O-N 3.11Å; V23-N25 PolarHBondContact O-N 2.92Å; V23-N25 PolarHBondContact O-OD1 2.74Å; V23-N25 VanDerWaalsContact O-OD1 3.11Å | ||
| 24 | R | 52.9 | Low | 55.1 | Low | 229 Ų | 229 | 118.8 Ų | 118.8 | 86% | 0.864 | 67% | 0.674 | S | S | * | * | trans | -50.6 | 89 | 163.5 | -84.6 | -172.3 | 163.4 | 105.7 | 0.4 | 109.7 | ||||
| 25 | N | 60 | Low | 56.9 | Low | 76 Ų | 76 | 121.6 Ų | 121.6 | 41% | 0.406 | 68% | 0.678 | S | S | . | * | trans | -74.4 | 125.1 | 156 | -75.3 | 60.5 | 0 | 0 | 0 | 104.2 | V23 E27 T28 | V23-N25 PolarHBondContact O-N 2.92Å; V23-N25 PolarHBondContact O-OD1 2.74Å; V23-N25 VanDerWaalsContact O-OD1 3.11Å; N25-E27 PolarHBondContact O-N 2.77Å; N25-T28 HydrophobicContact CB-CG2 4.04Å; N25-T28 PolarHBondContact O-N 3Å; N25-T28 PolarHBondContact O-OG1 2.93Å | ||
| 26 | P | 62.2 | Low | 59 | Low | 113 Ų | 113 | 121.7 Ų | 121.7 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -8 | 177.8 | 25.8 | -34.8 | 0 | 0 | 0 | 113.1 | ||
| 27 | E | 65.4 | Low | 61.1 | Low | 150 Ų | 150 | 124.1 Ų | 124.1 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -22.2 | 176.1 | -55.3 | 178.2 | 103.1 | 0 | 0 | 113 | N25 | N25-E27 PolarHBondContact O-N 2.77Š|
| 28 | T | 62.5 | Low | 63.2 | Low | 67 Ų | 67 | 127.3 Ų | 127.3 | 41% | 0.411 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.7 | -25 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | N25 V30 L31 E32 | N25-T28 HydrophobicContact CB-CG2 4.04Å; N25-T28 PolarHBondContact O-N 3Å; N25-T28 PolarHBondContact O-OG1 2.93Å; T28-V30 PolarHBondContact O-N 3.3Å; T28-L31 WeakPolarHBondContact O-CA 3.38Å; T28-L31 WeakPolarHBondContact O-CB 3.42Å; T28-L31 PolarHBondContact O-N 3.21Å; T28-E32 PolarHBondContact O-N 3.27Å |
| 29 | D | 60.2 | Low | 65.2 | Low | 99 Ų | 99 | 126.2 Ų | 126.2 | 53% | 0.529 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.2 | -25.8 | 175.3 | -165.4 | -102 | 0 | 0 | 0 | 111.7 | L31 | D29-L31 VanDerWaalsContact C-N 3.33Š|
| 30 | V | 66.3 | Low | 66.9 | Low | 110 Ų | 110 | 129 Ų | 129 | 67% | 0.667 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -22.4 | 172.4 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | T28 | T28-V30 PolarHBondContact O-N 3.3Š|
| 31 | L | 70.3 | Confident | 68.6 | Low | 117 Ų | 117 | 129.3 Ų | 129.3 | 61% | 0.613 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -20.8 | -180 | -120.8 | 69.6 | 0 | 0 | 0 | 112.9 | T28 D29 D33 D34 | T28-L31 WeakPolarHBondContact O-CA 3.38Å; T28-L31 WeakPolarHBondContact O-CB 3.42Å; T28-L31 PolarHBondContact O-N 3.21Å; D29-L31 VanDerWaalsContact C-N 3.33Å; L31-D33 VanDerWaalsContact C-N 3.28Å; L31-D33 PolarHBondContact O-N 3.33Å; L31-D34 PolarHBondContact O-N 2.9Å |
| 32 | E | 65.4 | Low | 69.7 | Low | 122 Ų | 122 | 128.9 Ų | 128.9 | 57% | 0.57 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -23 | 178.5 | -66 | -176.9 | 121.2 | 0 | 0 | 112.9 | T28 D34 D35 | T28-E32 PolarHBondContact O-N 3.27Å; E32-D34 VanDerWaalsContact C-N 3.29Å; E32-D35 PolarHBondContact O-N 3.37Å |
| 33 | D | 64.5 | Low | 70.7 | Confident | 137 Ų | 137 | 128.4 Ų | 128.4 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -26.6 | 175.9 | -162.8 | -118.1 | 0 | 0 | 0 | 112.1 | L31 | L31-D33 VanDerWaalsContact C-N 3.28Å; L31-D33 PolarHBondContact O-N 3.33Å |
| 34 | D | 73.1 | Confident | 71.7 | Confident | 144 Ų | 144 | 132.1 Ų | 132.1 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -26.6 | 176.4 | -159.6 | 14 | 0 | 0 | 0 | 111.9 | L31 E32 N36 | L31-D34 PolarHBondContact O-N 2.9Å; E32-D34 VanDerWaalsContact C-N 3.29Å; D34-N36 PolarHBondContact O-N 2.88Å |
| 35 | D | 77 | Confident | 72.2 | Confident | 140 Ų | 140 | 129.1 Ų | 129.1 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -73.2 | -12.9 | 172.4 | -76.8 | -39 | 0 | 0 | 0 | 112.6 | E32 F37 | E32-D35 PolarHBondContact O-N 3.37Å; D35-F37 PolarHBondContact O-N 2.92Å |
| 36 | N | 81.8 | Confident | 72.4 | Confident | 125 Ų | 125 | 127.9 Ų | 127.9 | 67% | 0.668 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -87.5 | 84 | 177.6 | -174 | 83.9 | 0 | 0 | 0 | 111.5 | D34 | D34-N36 PolarHBondContact O-N 2.88Š|
| 37 | F | 80.2 | Confident | 72.4 | Confident | 140 Ų | 140 | 130.2 Ų | 130.2 | 61% | 0.614 | 68% | 0.679 | S | S | * | * | trans | -44.9 | 141.4 | 168.8 | -174.7 | -103.7 | 0 | 0 | 0 | 113.2 | D35 F40 | D35-F37 PolarHBondContact O-N 2.92Å; F37-F40 HydrophobicContact CD1-CD2 4.46Å; F37-F40 HydrophobicContact CD2-CE2 4.33Å; F37-F40 AromaticContact CE1-CD2 3.55Å; F37-F40 HydrophobicContact CE1-CD2 3.55Å; F37-F40 HydrophobicContact CE1-CE2 4.24Å; F37-F40 AromaticContact CE2-CD2 3.65Å; F37-F40 HydrophobicContact CE2-CD2 3.65Å; F37-F40 AromaticContact CE2-CE2 3.55Å; F37-F40 HydrophobicContact CE2-CE2 3.55Å; F37-F40 HydrophobicContact CZ-CB 4.44Å; F37-F40 AromaticContact CZ-CD2 3.08Å; F37-F40 HydrophobicContact CZ-CD2 3.08Å; F37-F40 AromaticContact CZ-CE2 3.54Å; F37-F40 HydrophobicContact CZ-CE2 3.54Å; F37-F40 HydrophobicContact CZ-CG 4.11Å | ||
| 38 | E | 82.2 | Confident | 72 | Confident | 159 Ų | 159 | 128.3 Ų | 128.3 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | -79.3 | 121.6 | 168 | -176.4 | 172.2 | -175.5 | 0 | 0 | 108.6 | F40 | E38-F40 WeakPolarHBondContact O-CD2 3.32Å; E38-F40 PolarHBondContact O-N 2.84Å | ||
| 39 | D | 83.4 | Confident | 71.7 | Confident | 152 Ų | 152 | 128.3 Ų | 128.3 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -59.7 | 100.7 | -178.7 | -166.9 | -118.7 | 0 | 0 | 0 | 110.5 | ||||
| 40 | F | 81.9 | Confident | 71.5 | Confident | 135 Ų | 135 | 132.3 Ų | 132.3 | 59% | 0.592 | 71% | 0.712 | S | S | * | * | trans | -69.3 | 142 | 178.4 | -78.3 | -103.1 | 0 | 0 | 0 | 109.6 | F37 E38 | F37-F40 HydrophobicContact CD1-CD2 4.46Å; F37-F40 HydrophobicContact CD2-CE2 4.33Å; F37-F40 AromaticContact CE1-CD2 3.55Å; F37-F40 HydrophobicContact CE1-CD2 3.55Å; F37-F40 HydrophobicContact CE1-CE2 4.24Å; F37-F40 AromaticContact CE2-CD2 3.65Å; F37-F40 HydrophobicContact CE2-CD2 3.65Å; F37-F40 AromaticContact CE2-CE2 3.55Å; F37-F40 HydrophobicContact CE2-CE2 3.55Å; F37-F40 HydrophobicContact CZ-CB 4.44Å; F37-F40 AromaticContact CZ-CD2 3.08Å; F37-F40 HydrophobicContact CZ-CD2 3.08Å; F37-F40 AromaticContact CZ-CE2 3.54Å; F37-F40 HydrophobicContact CZ-CE2 3.54Å; F37-F40 HydrophobicContact CZ-CG 4.11Å; E38-F40 WeakPolarHBondContact O-CD2 3.32Å; E38-F40 PolarHBondContact O-N 2.84Å | ||
| 41 | P | 83.9 | Confident | 70.8 | Confident | 108 Ų | 108 | 135.2 Ų | 135.2 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | trans | -58.1 | 145.7 | 174.8 | 26.3 | -34 | 0 | 0 | 0 | 110.2 | D43 | P41-D43 PolarHBondContact O-N 2.86Š| ||
| 42 | D | 79.7 | Confident | 70 | Confident | 164 Ų | 164 | 134.8 Ų | 134.8 | 88% | 0.877 | 72% | 0.717 | S | S | * | * | trans | -55.4 | 110.6 | 170.9 | -164.3 | -107.7 | 0 | 0 | 0 | 108.1 | E44 | D42-E44 PolarHBondContact O-N 3.24Š| ||
| 43 | D | 76.9 | Confident | 69.7 | Low | 105 Ų | 105 | 133.3 Ų | 133.3 | 56% | 0.561 | 71% | 0.712 | S | S | * | * | trans | -80 | 116.1 | 176.2 | -161.5 | -100.6 | 0 | 0 | 0 | 107.4 | P41 F45 | P41-D43 PolarHBondContact O-N 2.86Å; D43-F45 HydrophobicContact CB-CD2 3.87Å; D43-F45 HydrophobicContact CB-CE2 3.77Å; D43-F45 PolarHBondContact O-N 2.81Å; D43-F45 WeakPolarHBondContact OD1-CD2 3.48Å | ||
| 44 | E | 75.7 | Confident | 69.5 | Low | 183 Ų | 183 | 131.8 Ų | 131.8 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | trans | -71.7 | 75.9 | 168.1 | -167 | 166.1 | -95.8 | 0 | 0 | 106.8 | D42 G46 | D42-E44 PolarHBondContact O-N 3.24Å; E44-G46 PolarHBondContact O-N 3.28Å | ||
| 45 | F | 64.6 | Low | 69 | Low | 166 Ų | 166 | 126.8 Ų | 126.8 | 73% | 0.728 | 69% | 0.691 | S | S | * | * | trans | -56.6 | 97.5 | 167.6 | -82.8 | -86.5 | 0 | 0 | 0 | 105.7 | D43 D47 | D43-F45 HydrophobicContact CB-CD2 3.87Å; D43-F45 HydrophobicContact CB-CE2 3.77Å; D43-F45 PolarHBondContact O-N 2.81Å; D43-F45 WeakPolarHBondContact OD1-CD2 3.48Å; F45-D47 PolarHBondContact O-N 2.69Å | ||
| 46 | G | 64.3 | Low | 68.6 | Low | 49 Ų | 49 | 126.7 Ų | 126.7 | 51% | 0.505 | 69% | 0.689 | S | S | . | * | trans | -49 | 131.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | E44 S48 | E44-G46 PolarHBondContact O-N 3.28Å; G46-S48 VanDerWaalsContact C-N 3.33Å; G46-S48 WeakPolarHBondContact O-CA 3.24Å; G46-S48 PolarHBondContact O-N 3.46Å; G46-S48 PolarHBondContact O-OG 3.46Å; G46-S48 VanDerWaalsContact O-OG 3.05Å | ||
| 47 | D | 61 | Low | 67.8 | Low | 162 Ų | 162 | 123.9 Ų | 123.9 | 87% | 0.866 | 67% | 0.674 | S | S | * | * | trans | -36.9 | 99 | 174.5 | 177.6 | -119 | 0 | 0 | 0 | 108.9 | F45 G49 | F45-D47 PolarHBondContact O-N 2.69Å; D47-G49 PolarHBondContact O-N 3.11Å | ||
| 48 | S | 57 | Low | 67.6 | Low | 110 Ų | 110 | 120.3 Ų | 120.3 | 77% | 0.769 | 66% | 0.664 | S | S | * | * | trans | -79.4 | 66.5 | -174.3 | -67.6 | 0 | 0 | 0 | 0 | 107.6 | G46 E50 | G46-S48 VanDerWaalsContact C-N 3.33Å; G46-S48 WeakPolarHBondContact O-CA 3.24Å; G46-S48 PolarHBondContact O-N 3.46Å; G46-S48 PolarHBondContact O-OG 3.46Å; G46-S48 VanDerWaalsContact O-OG 3.05Å; S48-E50 VanDerWaalsContact C-N 3.26Å | ||
| 49 | G | 56.8 | Low | 67 | Low | 68 Ų | 68 | 123 Ų | 123 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | trans | -80.5 | -9.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D47 | D47-G49 PolarHBondContact O-N 3.11Š| ||
| 50 | E | 54.8 | Low | 66.6 | Low | 182 Ų | 182 | 121.4 Ų | 121.4 | 85% | 0.85 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -114.7 | 85.5 | 173.2 | -162.4 | 116.2 | 75.2 | 0 | 0 | 108.9 | S48 D52 | S48-E50 VanDerWaalsContact C-N 3.26Å; E50-D52 PolarHBondContact O-N 2.92Å |
| 51 | E | 51.5 | Low | 66.4 | Low | 172 Ų | 172 | 120.1 Ų | 120.1 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | trans | -37 | 89.7 | 163 | -176.5 | 172.9 | 81.8 | 0 | 0 | 112.4 | D53 | E51-D53 HydrophobicContact CG-CB 4.02Å; E51-D53 PolarHBondContact O-N 3.27Å | ||
| 52 | D | 55.2 | Low | 66.1 | Low | 108 Ų | 108 | 120.4 Ų | 120.4 | 58% | 0.578 | 65% | 0.65 | S | S | * | * | trans | -88.5 | 77.2 | 147.6 | -168.8 | -120.2 | 0 | 0 | 0 | 106.6 | E50 V54 G55 | E50-D52 PolarHBondContact O-N 2.92Å; D52-V54 PolarHBondContact O-N 2.89Å; D52-V54 WeakPolarHBondContact OD1-CB 3.47Å; D52-G55 PolarHBondContact O-N 2.9Å; D52-G55 PolarHBondContact OD1-N 3.26Å | ||
| 53 | D | 57.9 | Low | 66 | Low | 90 Ų | 90 | 121.1 Ų | 121.1 | 48% | 0.481 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -47.3 | -26.3 | 169.3 | 179.1 | -111.4 | 0 | 0 | 0 | 111.2 | E51 G55 L56 N57 | E51-D53 HydrophobicContact CG-CB 4.02Å; E51-D53 PolarHBondContact O-N 3.27Å; D53-G55 VanDerWaalsContact C-N 3.3Å; D53-G55 PolarHBondContact O-N 3.43Å; D53-L56 PolarHBondContact O-N 3.31Å; D53-N57 PolarHBondContact O-N 3.41Å; D53-N57 PolarHBondContact O-ND2 3.37Å; D53-N57 PolarHBondContact OD1-ND2 3.47Å; D53-N57 VanDerWaalsContact OD1-ND2 3.11Å; D53-N57 PolarHBondContact OD2-ND2 2.73Å |
| 54 | V | 59.6 | Low | 65.8 | Low | 106 Ų | 106 | 121.1 Ų | 121.1 | 64% | 0.642 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.3 | -36.7 | 175.6 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | D52 V58 | D52-V54 PolarHBondContact O-N 2.89Å; D52-V54 WeakPolarHBondContact OD1-CB 3.47Å; V54-V58 WeakPolarHBondContact O-CG2 3.25Å |
| 55 | G | 63.7 | Low | 65.7 | Low | 39 Ų | 39 | 118.2 Ų | 118.2 | 40% | 0.402 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -82.8 | -35.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D52 D53 V58 | D52-G55 PolarHBondContact O-N 2.9Å; D52-G55 PolarHBondContact OD1-N 3.26Å; D53-G55 VanDerWaalsContact C-N 3.3Å; D53-G55 PolarHBondContact O-N 3.43Å; G55-V58 PolarHBondContact O-N 2.84Å |
| 56 | L | 67.6 | Low | 65.9 | Low | 138 Ų | 138 | 115.7 Ų | 115.7 | 72% | 0.723 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.3 | -39.6 | -177.9 | -166.7 | 84.7 | 0 | 0 | 0 | 111.6 | D53 V58 | D53-L56 PolarHBondContact O-N 3.31Å; L56-V58 VanDerWaalsContact C-N 3.33Å; L56-V58 PolarHBondContact O-N 3.11Å |
| 57 | N | 66.6 | Low | 66 | Low | 66 Ų | 66 | 117.5 Ų | 117.5 | 35% | 0.353 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -12.5 | -176.3 | -65.1 | -56.3 | 0 | 0 | 0 | 113.5 | D53 W59 E60 D61 | D53-N57 PolarHBondContact O-N 3.41Å; D53-N57 PolarHBondContact O-ND2 3.37Å; D53-N57 PolarHBondContact OD1-ND2 3.47Å; D53-N57 VanDerWaalsContact OD1-ND2 3.11Å; D53-N57 PolarHBondContact OD2-ND2 2.73Å; N57-W59 VanDerWaalsContact C-N 3.28Å; N57-W59 PolarHBondContact O-N 3.32Å; N57-E60 PolarHBondContact O-N 2.91Å; N57-D61 WeakPolarHBondContact O-CB 3.49Å; N57-D61 PolarHBondContact O-N 3.22Å |
| 58 | V | 75.4 | Confident | 66 | Low | 64 Ų | 64 | 114.4 Ų | 114.4 | 39% | 0.388 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.7 | -36.9 | -175.1 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | V54 G55 L56 N62 | V54-V58 WeakPolarHBondContact O-CG2 3.25Å; G55-V58 PolarHBondContact O-N 2.84Å; L56-V58 VanDerWaalsContact C-N 3.33Å; L56-V58 PolarHBondContact O-N 3.11Å; V58-N62 VanDerWaalsContact CG1-ND2 3.33Å; V58-N62 WeakPolarHBondContact CG1-ND2 3.43Å; V58-N62 VanDerWaalsContact O-CB 3.28Å; V58-N62 WeakPolarHBondContact O-CB 3.28Å; V58-N62 PolarHBondContact O-N 3.35Å; V58-N62 PolarHBondContact O-ND2 3Å |
| 59 | W | 69.6 | Low | 66.2 | Low | 215 Ų | 215 | 116.9 Ų | 116.9 | 81% | 0.814 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.9 | -35.1 | 180 | -66.3 | -10.5 | 0 | 0 | 0 | 112.8 | N57 W63 | N57-W59 VanDerWaalsContact C-N 3.28Å; N57-W59 PolarHBondContact O-N 3.32Å; W59-W63 WeakPolarHBondContact O-CB 3.33Å; W59-W63 PolarHBondContact O-N 3.42Å |
| 60 | E | 75.1 | Confident | 66.6 | Low | 120 Ų | 120 | 120.4 Ų | 120.4 | 56% | 0.561 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.4 | -43.6 | 173.9 | -62 | -96.5 | 92.3 | 0 | 0 | 109.9 | N57 W63 E64 | N57-E60 PolarHBondContact O-N 2.91Å; E60-W63 PolarHBondContact O-N 3.11Å; E60-E64 WeakPolarHBondContact O-CB 3.34Å; E60-E64 VanDerWaalsContact O-CG 3.31Å; E60-E64 WeakPolarHBondContact O-CG 3.31Å; E60-E64 PolarHBondContact O-N 3.18Å |
| 61 | D | 77 | Confident | 67.4 | Low | 108 Ų | 108 | 115.4 Ų | 115.4 | 58% | 0.578 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.8 | -42.6 | -179.6 | -165.1 | 47.6 | 0 | 0 | 0 | 111.7 | N57 W63 E64 D65 | N57-D61 WeakPolarHBondContact O-CB 3.49Å; N57-D61 PolarHBondContact O-N 3.22Å; D61-W63 PolarHBondContact O-N 2.76Å; D61-E64 PolarHBondContact O-N 2.88Å; D61-D65 VanDerWaalsContact O-CB 3.25Å; D61-D65 WeakPolarHBondContact O-CB 3.03Å; D61-D65 PolarHBondContact O-N 2.91Å |
| 62 | N | 78.4 | Confident | 68.4 | Low | 113 Ų | 113 | 113.3 Ų | 113.3 | 60% | 0.604 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.3 | -19.1 | 175.1 | -84.1 | -98 | 0 | 0 | 0 | 113.4 | V58 | V58-N62 VanDerWaalsContact CG1-ND2 3.33Å; V58-N62 WeakPolarHBondContact CG1-ND2 3.43Å; V58-N62 VanDerWaalsContact O-CB 3.28Å; V58-N62 WeakPolarHBondContact O-CB 3.28Å; V58-N62 PolarHBondContact O-N 3.35Å; V58-N62 PolarHBondContact O-ND2 3Å |
| 63 | W | 77.5 | Confident | 69.3 | Low | 180 Ų | 180 | 111.7 Ų | 111.7 | 68% | 0.682 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -86 | -36.2 | 174.7 | -175.9 | 32.9 | 0 | 0 | 0 | 111.7 | W59 E60 D61 | W59-W63 WeakPolarHBondContact O-CB 3.33Å; W59-W63 PolarHBondContact O-N 3.42Å; E60-W63 PolarHBondContact O-N 3.11Å; D61-W63 PolarHBondContact O-N 2.76Å |
| 64 | E | 71.5 | Confident | 69.8 | Low | 104 Ų | 104 | 114.8 Ų | 114.8 | 49% | 0.486 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -79.6 | -26.4 | 177.8 | -69.7 | -79.1 | 101.1 | 0 | 0 | 113.5 | E60 D61 D66 V67 | E60-E64 WeakPolarHBondContact O-CB 3.34Å; E60-E64 VanDerWaalsContact O-CG 3.31Å; E60-E64 WeakPolarHBondContact O-CG 3.31Å; E60-E64 PolarHBondContact O-N 3.18Å; D61-E64 PolarHBondContact O-N 2.88Å; E64-D66 VanDerWaalsContact C-N 3.28Å; E64-D66 PolarHBondContact O-N 3.16Å; E64-V67 WeakPolarHBondContact O-CB 3.18Å; E64-V67 PolarHBondContact O-N 3.13Å |
| 65 | D | 73.9 | Confident | 70.1 | Confident | 123 Ų | 123 | 119.6 Ų | 119.6 | 66% | 0.658 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.7 | -31.3 | -175.7 | -169.3 | 54.5 | 0 | 0 | 0 | 113 | D61 V67 | D61-D65 VanDerWaalsContact O-CB 3.25Å; D61-D65 WeakPolarHBondContact O-CB 3.03Å; D61-D65 PolarHBondContact O-N 2.91Å; D65-V67 VanDerWaalsContact C-N 3.33Å |
| 66 | D | 70 | Confident | 70.7 | Confident | 112 Ų | 112 | 125.3 Ų | 125.3 | 60% | 0.599 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77.8 | -18.9 | 176 | -157.9 | -113.2 | 0 | 0 | 0 | 112.7 | E64 | E64-D66 VanDerWaalsContact C-N 3.28Å; E64-D66 PolarHBondContact O-N 3.16Å |
| 67 | V | 66.2 | Low | 70.7 | Confident | 88 Ų | 88 | 125.2 Ų | 125.2 | 53% | 0.533 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -83.4 | -23 | -176 | 172.5 | 0 | 0 | 0 | 0 | 112.5 | E64 D65 | E64-V67 WeakPolarHBondContact O-CB 3.18Å; E64-V67 PolarHBondContact O-N 3.13Å; D65-V67 VanDerWaalsContact C-N 3.33Å |
| 68 | V | 61.3 | Low | 70.9 | Confident | 96 Ų | 96 | 128.2 Ų | 128.2 | 58% | 0.582 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -95 | -25.6 | -165.7 | 175.5 | 0 | 0 | 0 | 0 | 116.2 | ||
| 69 | E | 61 | Low | 70.6 | Confident | 162 Ų | 162 | 131.6 Ų | 131.6 | 76% | 0.757 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -126.7 | -10 | -169.4 | -65.2 | -69.6 | 115.1 | 0 | 0 | 117.7 | ||
| 70 | E | 64.5 | Low | 70.7 | Confident | 143 Ų | 143 | 126.9 Ų | 126.9 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -105.2 | 90.4 | 167.3 | -76 | -165.6 | 72.8 | 0 | 0 | 110.1 | F72 | E70-F72 PolarHBondContact O-N 3.4Š|
| 71 | D | 72.5 | Confident | 70.4 | Confident | 77 Ų | 77 | 127.4 Ų | 127.4 | 41% | 0.412 | 65% | 0.65 | S | S | . | * | trans | -40.6 | 100.6 | 168.5 | 174.3 | -142.2 | 0 | 0 | 0 | 110.2 | S73 K74 | D71-S73 PolarHBondContact O-N 2.96Å; D71-S73 WeakPolarHBondContact OD1-CB 3.5Å; D71-S73 VanDerWaalsContact OD2-CB 3.24Å; D71-S73 WeakPolarHBondContact OD2-CB 3.35Å; D71-S73 PolarHBondContact OD2-OG 2.8Å; D71-K74 HydrophobicContact CB-CD 3.92Å; D71-K74 HydrophobicContact CB-CG 4.1Å; D71-K74 VanDerWaalsContact O-CB 3.32Å; D71-K74 WeakPolarHBondContact O-CB 3.44Å; D71-K74 PolarHBondContact O-N 2.74Å; D71-K74 WeakPolarHBondContact OD1-CG 3.04Å | ||
| 72 | F | 71.1 | Confident | 70 | Confident | 127 Ų | 127 | 128.6 Ų | 128.6 | 56% | 0.557 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -51.8 | -27.2 | -178.2 | -91.9 | -92.6 | 0 | 0 | 0 | 111.7 | E70 K74 R75 L76 | E70-F72 PolarHBondContact O-N 3.4Å; F72-K74 VanDerWaalsContact C-N 3.25Å; F72-K74 PolarHBondContact O-N 3.23Å; F72-R75 PolarHBondContact O-N 3.05Å; F72-L76 WeakPolarHBondContact O-CB 3.46Å; F72-L76 PolarHBondContact O-N 2.76Å |
| 73 | S | 74 | Confident | 69.5 | Low | 75 Ų | 75 | 129.6 Ų | 129.6 | 52% | 0.524 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -56.1 | -35.4 | 172.3 | -37.4 | 0 | 0 | 0 | 0 | 113.2 | D71 R75 A77 | D71-S73 PolarHBondContact O-N 2.96Å; D71-S73 WeakPolarHBondContact OD1-CB 3.5Å; D71-S73 VanDerWaalsContact OD2-CB 3.24Å; D71-S73 WeakPolarHBondContact OD2-CB 3.35Å; D71-S73 PolarHBondContact OD2-OG 2.8Å; S73-R75 VanDerWaalsContact C-N 3.3Å; S73-R75 PolarHBondContact O-N 2.72Å; S73-A77 WeakPolarHBondContact O-CB 3.5Å; S73-A77 PolarHBondContact O-N 3.43Å; S73-A77 VanDerWaalsContact O-N 3.15Å |
| 74 | K | 68.4 | Low | 68.9 | Low | 154 Ų | 154 | 126 Ų | 126 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.7 | -24.1 | 175.6 | -66.8 | 169 | -164.9 | 147.9 | 0 | 113.2 | D71 F72 | D71-K74 HydrophobicContact CB-CD 3.92Å; D71-K74 HydrophobicContact CB-CG 4.1Å; D71-K74 VanDerWaalsContact O-CB 3.32Å; D71-K74 WeakPolarHBondContact O-CB 3.44Å; D71-K74 PolarHBondContact O-N 2.74Å; D71-K74 WeakPolarHBondContact OD1-CG 3.04Å; F72-K74 VanDerWaalsContact C-N 3.25Å; F72-K74 PolarHBondContact O-N 3.23Å |
| 75 | R | 66.8 | Low | 68.7 | Low | 208 Ų | 208 | 127.7 Ų | 127.7 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -94.4 | -21.9 | 179 | -174.6 | 167.4 | 156.4 | 162.9 | -9.3 | 112.6 | F72 S73 | F72-R75 PolarHBondContact O-N 3.05Å; S73-R75 VanDerWaalsContact C-N 3.3Å; S73-R75 PolarHBondContact O-N 2.72Å |
| 76 | L | 75.5 | Confident | 68.3 | Low | 158 Ų | 158 | 128.1 Ų | 128.1 | 83% | 0.827 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -85.4 | -24.3 | 175 | -172.6 | 63.1 | 0 | 0 | 0 | 113 | F72 | F72-L76 WeakPolarHBondContact O-CB 3.46Å; F72-L76 PolarHBondContact O-N 2.76Å |
| 77 | A | 67.9 | Low | 68.1 | Low | 137 Ų | 137 | 129.5 Ų | 129.5 | 100% | 1.132 | 68% | 0.677 | S | S | * | * | trans | -72.6 | 0 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S73 | S73-A77 WeakPolarHBondContact O-CB 3.5Å; S73-A77 PolarHBondContact O-N 3.43Å; S73-A77 VanDerWaalsContact O-N 3.15Å |
Retrieved 77 of 77 residues in 31.4 ms
(Link to these results)