| 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 | 44.7 | Very low | 63 | Low | 233 Ų | 233 | 128.8 Ų | 128.8 | 100% | 1.148 | 80% | 0.795 | S | S | * | * | 0 | 135.6 | 0 | -56.2 | -159.5 | -143.7 | 0 | 0 | 107.5 | Q3 | M1-Q3 PolarHBondContact O-N 3.09Š| |||
| 2 | P | 63.3 | Low | 64.1 | Low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128.8 | 174.9 | 26.8 | -30.6 | 0 | 0 | 0 | 109.5 | L4 | P2-L4 PolarHBondContact O-N 3.35Š|
| 3 | Q | 69.5 | Low | 64.9 | Low | 185 Ų | 185 | 124.4 Ų | 124.4 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 122.7 | 173.9 | -68.8 | -87.4 | 6.5 | 0 | 0 | 107.8 | M1 N5 | M1-Q3 PolarHBondContact O-N 3.09Å; Q3-N5 PolarHBondContact O-N 3.5Å |
| 4 | L | 58 | Low | 66.2 | Low | 165 Ų | 165 | 122.6 Ų | 122.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 128.9 | 172.8 | -91.4 | 142.3 | 0 | 0 | 0 | 108.5 | P2 G6 | P2-L4 PolarHBondContact O-N 3.35Å; L4-G6 VanDerWaalsContact C-N 3.31Å; L4-G6 PolarHBondContact O-N 3.33Å |
| 5 | N | 64.1 | Low | 67 | Low | 176 Ų | 176 | 120.3 Ų | 120.3 | 94% | 0.941 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -59.7 | 91.9 | 170.2 | -84 | 75.9 | 0 | 0 | 0 | 109.6 | Q3 | Q3-N5 PolarHBondContact O-N 3.5Š|
| 6 | G | 62.1 | Low | 68.1 | Low | 65 Ų | 65 | 123.3 Ų | 123.3 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -177 | 88.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L4 | L4-G6 VanDerWaalsContact C-N 3.31Å; L4-G6 PolarHBondContact O-N 3.33Å |
| 7 | G | 65.5 | Low | 69.1 | Low | 65 Ų | 65 | 126.6 Ų | 126.6 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | trans | 42.1 | 83.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | G9 | G7-G9 PolarHBondContact O-N 3.29Å; G7-G9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | G | 65.4 | Low | 70.1 | Confident | 71 Ų | 71 | 129.8 Ų | 129.8 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | -72.5 | 98.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | N15 | G8-N15 PolarHBondContact O-ND2 2.91Å; G8-N15 VanDerWaalsContact O-ND2 3.15Å | ||
| 9 | G | 63.1 | Low | 70.9 | Confident | 53 Ų | 53 | 130.3 Ų | 130.3 | 55% | 0.546 | 77% | 0.773 | S | S | . | * | trans | -85.9 | 115.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | G7 | G7-G9 PolarHBondContact O-N 3.29Å; G7-G9 VanDerWaalsContact O-N 3.15Å | ||
| 10 | D | 67.3 | Low | 71.6 | Confident | 104 Ų | 104 | 128.8 Ų | 128.8 | 56% | 0.556 | 77% | 0.769 | S | S | * | * | trans | -71.6 | 158.5 | 153.1 | 56.1 | -14.4 | 0 | 0 | 0 | 108.7 | L12 | D10-L12 PolarHBondContact O-N 3.15Å; D10-L12 WeakPolarHBondContact OD2-CD1 3.11Å | ||
| 11 | D | 69.6 | Low | 72.2 | Confident | 172 Ų | 172 | 131.9 Ų | 131.9 | 92% | 0.92 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 26.3 | -174.8 | -161.8 | 29.9 | 0 | 0 | 0 | 113.4 | ||
| 12 | L | 76.1 | Confident | 74.1 | Confident | 152 Ų | 152 | 129.8 Ų | 129.8 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -0.4 | -177.1 | -59.3 | -174 | 0 | 0 | 0 | 113.2 | D10 | D10-L12 PolarHBondContact O-N 3.15Å; D10-L12 WeakPolarHBondContact OD2-CD1 3.11Å |
| 13 | G | 75.3 | Confident | 75 | Confident | 48 Ų | 48 | 130.5 Ų | 130.5 | 50% | 0.495 | 75% | 0.754 | S | S | . | * | trans | 134.7 | 171.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 14 | A | 82.4 | Confident | 75.3 | Confident | 99 Ų | 99 | 130.4 Ų | 130.4 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 150.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 15 | N | 79.3 | Confident | 75.9 | Confident | 89 Ų | 89 | 125.2 Ų | 125.2 | 48% | 0.476 | 74% | 0.741 | S | S | . | * | P | Polyproline II helix | trans | -74.7 | 142 | 173.2 | -73 | -84.1 | 0 | 0 | 0 | 110 | G8 | G8-N15 PolarHBondContact O-ND2 2.91Å; G8-N15 VanDerWaalsContact O-ND2 3.15Å |
| 16 | D | 84.6 | Confident | 75.8 | Confident | 167 Ų | 167 | 125.7 Ų | 125.7 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 131.1 | 175.1 | -67.7 | -27.7 | 0 | 0 | 0 | 110.8 | ||
| 17 | E | 84.1 | Confident | 75.7 | Confident | 180 Ų | 180 | 127.3 Ų | 127.3 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | trans | -108.2 | 131.4 | 179 | -66.1 | -178.3 | -154.3 | 0 | 0 | 111.1 | ||||
| 18 | M | 87.7 | Confident | 75.4 | Confident | 184 Ų | 184 | 132.2 Ų | 132.2 | 91% | 0.906 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 126.7 | 176 | -62.9 | -62.9 | -69.3 | 0 | 0 | 110.4 | ||
| 19 | I | 85.4 | Confident | 74.9 | Confident | 140 Ų | 140 | 138.1 Ų | 138.1 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 116.9 | 174.2 | -57.6 | 175.1 | 0 | 0 | 0 | 109.1 | ||
| 20 | S | 85.1 | Confident | 74.6 | Confident | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 122 | 172.2 | 60.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 21 | F | 84.4 | Confident | 74.1 | Confident | 193 Ų | 193 | 141 Ų | 141 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -77 | 127.9 | 170 | -65.4 | -83 | 0 | 0 | 0 | 109.7 | ||
| 22 | K | 83.3 | Confident | 73.4 | Confident | 189 Ų | 189 | 137.8 Ų | 137.8 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 132.5 | 169.1 | -64.7 | -176.6 | 178.4 | -175.4 | 0 | 107.7 | E24 | K22-E24 PolarHBondContact O-N 3.1Š|
| 23 | D | 82.9 | Confident | 72.4 | Confident | 143 Ų | 143 | 136.9 Ų | 136.9 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 120.3 | 171.1 | -169.1 | -7.3 | 0 | 0 | 0 | 108.1 | G25 | D23-G25 PolarHBondContact O-N 3.02Å; D23-G25 PolarHBondContact OD1-N 3.13Å; D23-G25 VanDerWaalsContact OD1-N 3.12Å |
| 24 | E | 75.3 | Confident | 71.6 | Confident | 183 Ų | 183 | 139.2 Ų | 139.2 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -4.6 | -179.2 | -161.9 | 175.1 | 162.1 | 0 | 0 | 111.6 | K22 E26 | K22-E24 PolarHBondContact O-N 3.1Å; E24-E26 PolarHBondContact O-N 2.92Å |
| 25 | G | 69.8 | Low | 70.5 | Confident | 57 Ų | 57 | 137.3 Ų | 137.3 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 0.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | D23 Q27 | D23-G25 PolarHBondContact O-N 3.02Å; D23-G25 PolarHBondContact OD1-N 3.13Å; D23-G25 VanDerWaalsContact OD1-N 3.12Å; G25-Q27 VanDerWaalsContact C-N 3.32Å; G25-Q27 PolarHBondContact O-N 3.49Å; G25-Q27 VanDerWaalsContact O-N 3.1Å |
| 26 | E | 63.8 | Low | 69.6 | Low | 185 Ų | 185 | 136.2 Ų | 136.2 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -88.7 | 72 | 175.5 | -68.8 | -173.7 | -171.8 | 0 | 0 | 110.9 | E24 | E24-E26 PolarHBondContact O-N 2.92Š| ||
| 27 | Q | 59.4 | Low | 68.6 | Low | 100 Ų | 100 | 130.3 Ų | 130.3 | 47% | 0.467 | 68% | 0.677 | S | S | . | * | trans | -116.4 | 53.3 | -177.1 | -154.9 | 171.5 | 68.3 | 0 | 0 | 111.4 | G25 E29 K30 | G25-Q27 VanDerWaalsContact C-N 3.32Å; G25-Q27 PolarHBondContact O-N 3.49Å; G25-Q27 VanDerWaalsContact O-N 3.1Å; Q27-E29 PolarHBondContact O-N 3.11Å; Q27-K30 VanDerWaalsContact CD-CD 3.45Å; Q27-K30 HydrophobicContact CG-CB 3.97Å; Q27-K30 HydrophobicContact CG-CD 4.12Å; Q27-K30 HydrophobicContact CG-CG 3.67Å; Q27-K30 VanDerWaalsContact NE2-CE 3.25Å; Q27-K30 PolarHBondContact O-N 2.84Å | ||
| 28 | E | 59.3 | Low | 67.6 | Low | 168 Ų | 168 | 128.1 Ų | 128.1 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -67 | -11.8 | 174.7 | -59.9 | -174.9 | -175.4 | 0 | 0 | 112.6 | I31 | E28-I31 WeakPolarHBondContact O-CD1 3.49Å; E28-I31 VanDerWaalsContact O-CG1 3.32Å; E28-I31 WeakPolarHBondContact O-CG1 3.48Å |
| 29 | E | 55.4 | Low | 66.8 | Low | 195 Ų | 195 | 128 Ų | 128 | 91% | 0.911 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -89.4 | -6.1 | -179.7 | -66.5 | -172.7 | 162.6 | 0 | 0 | 114.7 | Q27 I31 | Q27-E29 PolarHBondContact O-N 3.11Å; E29-I31 VanDerWaalsContact C-N 3.29Å; E29-I31 PolarHBondContact O-N 3.44Å |
| 30 | K | 55.6 | Low | 66.8 | Low | 89 Ų | 89 | 125.5 Ų | 125.5 | 39% | 0.387 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -84.7 | 11.9 | 178 | -88.3 | -153.1 | -164 | 152.2 | 0 | 115.6 | Q27 S32 E33 N34 | Q27-K30 VanDerWaalsContact CD-CD 3.45Å; Q27-K30 HydrophobicContact CG-CB 3.97Å; Q27-K30 HydrophobicContact CG-CD 4.12Å; Q27-K30 HydrophobicContact CG-CG 3.67Å; Q27-K30 VanDerWaalsContact NE2-CE 3.25Å; Q27-K30 PolarHBondContact O-N 2.84Å; K30-S32 PolarHBondContact O-N 3.41Å; K30-E33 PolarHBondContact O-N 2.97Å; K30-N34 PolarHBondContact O-N 3.42Å |
| 31 | I | 56.8 | Low | 67 | Low | 129 Ų | 129 | 125.8 Ų | 125.8 | 66% | 0.662 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -58.1 | -27.1 | -177.9 | -57.1 | 163.9 | 0 | 0 | 0 | 111.8 | E28 E29 S35 | E28-I31 WeakPolarHBondContact O-CD1 3.49Å; E28-I31 VanDerWaalsContact O-CG1 3.32Å; E28-I31 WeakPolarHBondContact O-CG1 3.48Å; E29-I31 VanDerWaalsContact C-N 3.29Å; E29-I31 PolarHBondContact O-N 3.44Å; I31-S35 PolarHBondContact O-N 2.72Å |
| 32 | S | 56 | Low | 67.2 | Low | 103 Ų | 103 | 118.8 Ų | 118.8 | 72% | 0.72 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.8 | -39.6 | 175.7 | -165.6 | 0 | 0 | 0 | 0 | 113.4 | K30 S35 | K30-S32 PolarHBondContact O-N 3.41Å; S32-S35 PolarHBondContact O-OG 3.44Å |
| 33 | E | 55.2 | Low | 67.5 | Low | 133 Ų | 133 | 114.9 Ų | 114.9 | 62% | 0.621 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.8 | -27.9 | 178.8 | -163.2 | 166.7 | -154.8 | 0 | 0 | 111.3 | K30 S35 S36 A37 | K30-E33 PolarHBondContact O-N 2.97Å; E33-S35 VanDerWaalsContact C-N 3.26Å; E33-S35 PolarHBondContact O-N 2.94Å; E33-S36 PolarHBondContact O-N 3.27Å; E33-A37 PolarHBondContact O-N 3.37Å |
| 34 | N | 57.5 | Low | 67.8 | Low | 97 Ų | 97 | 112.5 Ų | 112.5 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.3 | -28.1 | 173.3 | -118.1 | 43.7 | 0 | 0 | 0 | 113.3 | K30 S36 A37 E38 | K30-N34 PolarHBondContact O-N 3.42Å; N34-S36 VanDerWaalsContact C-N 3.27Å; N34-S36 PolarHBondContact O-N 2.96Å; N34-A37 PolarHBondContact O-N 3.14Å; N34-E38 VanDerWaalsContact O-CB 3.23Å; N34-E38 WeakPolarHBondContact O-CB 3.15Å; N34-E38 PolarHBondContact O-N 3.09Å |
| 35 | S | 59.4 | Low | 68.5 | Low | 60 Ų | 60 | 110.1 Ų | 110.1 | 42% | 0.42 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.1 | -29.1 | 179 | 73.3 | 0 | 0 | 0 | 0 | 113.3 | I31 S32 E33 R39 | I31-S35 PolarHBondContact O-N 2.72Å; S32-S35 PolarHBondContact O-OG 3.44Å; E33-S35 VanDerWaalsContact C-N 3.26Å; E33-S35 PolarHBondContact O-N 2.94Å; S35-R39 WeakPolarHBondContact O-CD 3.43Å; S35-R39 VanDerWaalsContact O-CG 3.32Å; S35-R39 WeakPolarHBondContact O-CG 3.26Å |
| 36 | S | 60.2 | Low | 69.3 | Low | 65 Ų | 65 | 109.9 Ų | 109.9 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -78.4 | -50.8 | 172.6 | -167 | 0 | 0 | 0 | 0 | 110.3 | E33 N34 E38 R39 D40 | E33-S36 PolarHBondContact O-N 3.27Å; N34-S36 VanDerWaalsContact C-N 3.27Å; N34-S36 PolarHBondContact O-N 2.96Å; S36-E38 VanDerWaalsContact C-N 3.25Å; S36-E38 PolarHBondContact O-N 3.23Å; S36-R39 WeakPolarHBondContact O-CB 3.32Å; S36-R39 PolarHBondContact O-N 3.49Å; S36-D40 PolarHBondContact O-N 3.31Å; S36-D40 VanDerWaalsContact O-OD2 3.12Å; S36-D40 PolarHBondContact OG-OD2 3Å |
| 37 | A | 63.2 | Low | 70.4 | Confident | 43 Ų | 43 | 103.4 Ų | 103.4 | 36% | 0.355 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.4 | -36.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E33 N34 L41 | E33-A37 PolarHBondContact O-N 3.37Å; N34-A37 PolarHBondContact O-N 3.14Å; A37-L41 WeakPolarHBondContact O-CB 3.2Å; A37-L41 WeakPolarHBondContact O-CD1 3.39Å; A37-L41 WeakPolarHBondContact O-CG 3.43Å; A37-L41 PolarHBondContact O-N 3.48Å |
| 38 | E | 63 | Low | 71.8 | Confident | 134 Ų | 134 | 104.4 Ų | 104.4 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.8 | -34.6 | 176.7 | -173.1 | 166.4 | -178.9 | 0 | 0 | 113.1 | N34 S36 A42 | N34-E38 VanDerWaalsContact O-CB 3.23Å; N34-E38 WeakPolarHBondContact O-CB 3.15Å; N34-E38 PolarHBondContact O-N 3.09Å; S36-E38 VanDerWaalsContact C-N 3.25Å; S36-E38 PolarHBondContact O-N 3.23Å; E38-A42 PolarHBondContact O-N 3.25Å; E38-A42 VanDerWaalsContact O-N 3.13Å |
| 39 | R | 71.8 | Confident | 73.2 | Confident | 182 Ų | 182 | 100.2 Ų | 100.2 | 69% | 0.687 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69 | -46 | 173.1 | -76.2 | 174.4 | 165.4 | 160.9 | -2.3 | 111.6 | S35 S36 L41 A42 D43 | S35-R39 WeakPolarHBondContact O-CD 3.43Å; S35-R39 VanDerWaalsContact O-CG 3.32Å; S35-R39 WeakPolarHBondContact O-CG 3.26Å; S36-R39 WeakPolarHBondContact O-CB 3.32Å; S36-R39 PolarHBondContact O-N 3.49Å; R39-L41 PolarHBondContact O-N 2.85Å; R39-A42 WeakPolarHBondContact O-CA 3.23Å; R39-A42 VanDerWaalsContact O-CB 3.26Å; R39-A42 WeakPolarHBondContact O-CB 3.32Å; R39-A42 PolarHBondContact O-N 2.64Å; R39-D43 PolarHBondContact O-N 3.35Å; R39-D43 VanDerWaalsContact O-N 3.15Å |
| 40 | D | 85.6 | Confident | 74.3 | Confident | 88 Ų | 88 | 95.4 Ų | 95.4 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -38.7 | 177.8 | -61.3 | -31.9 | 0 | 0 | 0 | 110.7 | S36 A42 D43 V44 | S36-D40 PolarHBondContact O-N 3.31Å; S36-D40 VanDerWaalsContact O-OD2 3.12Å; S36-D40 PolarHBondContact OG-OD2 3Å; D40-A42 VanDerWaalsContact C-N 3.35Å; D40-A42 PolarHBondContact O-N 2.85Å; D40-D43 PolarHBondContact O-N 3.03Å; D40-V44 VanDerWaalsContact O-CG2 3.29Å; D40-V44 WeakPolarHBondContact O-CG2 3.49Å; D40-V44 PolarHBondContact O-N 3.33Å |
| 41 | L | 90.1 | Very high | 75.2 | Confident | 105 Ų | 105 | 96.3 Ų | 96.3 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.2 | -32.1 | 173.4 | -70.8 | 171.9 | 0 | 0 | 0 | 113 | A37 R39 K45 | A37-L41 WeakPolarHBondContact O-CB 3.2Å; A37-L41 WeakPolarHBondContact O-CD1 3.39Å; A37-L41 WeakPolarHBondContact O-CG 3.43Å; A37-L41 PolarHBondContact O-N 3.48Å; R39-L41 PolarHBondContact O-N 2.85Å; L41-K45 VanDerWaalsContact O-CB 3.32Å; L41-K45 WeakPolarHBondContact O-CB 3.17Å; L41-K45 WeakPolarHBondContact O-CE 3.34Å; L41-K45 WeakPolarHBondContact O-CG 3.32Å; L41-K45 PolarHBondContact O-N 2.96Å |
| 42 | A | 87.9 | Confident | 75.8 | Confident | 46 Ų | 46 | 93.7 Ų | 93.7 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E38 R39 D40 K45 S46 | E38-A42 PolarHBondContact O-N 3.25Å; E38-A42 VanDerWaalsContact O-N 3.13Å; R39-A42 WeakPolarHBondContact O-CA 3.23Å; R39-A42 VanDerWaalsContact O-CB 3.26Å; R39-A42 WeakPolarHBondContact O-CB 3.32Å; R39-A42 PolarHBondContact O-N 2.64Å; D40-A42 VanDerWaalsContact C-N 3.35Å; D40-A42 PolarHBondContact O-N 2.85Å; A42-K45 PolarHBondContact O-N 3.36Å; A42-S46 PolarHBondContact O-N 3Å |
| 43 | D | 88.4 | Confident | 76.2 | Confident | 108 Ų | 108 | 95.8 Ų | 95.8 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.4 | -43.8 | 177.4 | -66.7 | -27 | 0 | 0 | 0 | 111.4 | R39 D40 K45 S46 S47 | R39-D43 PolarHBondContact O-N 3.35Å; R39-D43 VanDerWaalsContact O-N 3.15Å; D40-D43 PolarHBondContact O-N 3.03Å; D43-K45 VanDerWaalsContact C-N 3.35Å; D43-K45 PolarHBondContact O-N 3.37Å; D43-S46 PolarHBondContact O-N 2.83Å; D43-S46 VanDerWaalsContact O-N 3.11Å; D43-S46 PolarHBondContact O-OG 3.46Å; D43-S47 PolarHBondContact O-N 3.22Å |
| 44 | V | 89.5 | Confident | 76.5 | Confident | 93 Ų | 93 | 93.7 Ų | 93.7 | 56% | 0.564 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.6 | -43.1 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | D40 S46 S47 L48 | D40-V44 VanDerWaalsContact O-CG2 3.29Å; D40-V44 WeakPolarHBondContact O-CG2 3.49Å; D40-V44 PolarHBondContact O-N 3.33Å; V44-S46 VanDerWaalsContact C-N 3.3Å; V44-S46 PolarHBondContact O-N 3.4Å; V44-S47 PolarHBondContact O-N 2.96Å; V44-L48 WeakPolarHBondContact O-CB 3.23Å; V44-L48 PolarHBondContact O-N 2.87Å |
| 45 | K | 89.9 | Confident | 76.6 | Confident | 133 Ų | 133 | 94.4 Ų | 94.4 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -40.8 | 174.3 | -76.6 | 178.2 | -58.3 | -176.1 | 0 | 111.4 | L41 A42 D43 V49 | L41-K45 VanDerWaalsContact O-CB 3.32Å; L41-K45 WeakPolarHBondContact O-CB 3.17Å; L41-K45 WeakPolarHBondContact O-CE 3.34Å; L41-K45 WeakPolarHBondContact O-CG 3.32Å; L41-K45 PolarHBondContact O-N 2.96Å; A42-K45 PolarHBondContact O-N 3.36Å; D43-K45 VanDerWaalsContact C-N 3.35Å; D43-K45 PolarHBondContact O-N 3.37Å; K45-V49 WeakPolarHBondContact O-CG2 3.44Å; K45-V49 PolarHBondContact O-N 3.22Å |
| 46 | S | 87.1 | Confident | 76.5 | Confident | 51 Ų | 51 | 99.6 Ų | 99.6 | 36% | 0.357 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 178.4 | 80.4 | 0 | 0 | 0 | 0 | 112.6 | A42 D43 V44 V49 N50 | A42-S46 PolarHBondContact O-N 3Å; D43-S46 PolarHBondContact O-N 2.83Å; D43-S46 VanDerWaalsContact O-N 3.11Å; D43-S46 PolarHBondContact O-OG 3.46Å; V44-S46 VanDerWaalsContact C-N 3.3Å; V44-S46 PolarHBondContact O-N 3.4Å; S46-V49 WeakPolarHBondContact O-CG2 3.44Å; S46-V49 PolarHBondContact O-N 3.35Å; S46-N50 WeakPolarHBondContact O-CB 3.41Å; S46-N50 PolarHBondContact O-N 3.12Å; S46-N50 VanDerWaalsContact O-N 3.09Å; S46-N50 PolarHBondContact O-ND2 2.77Å |
| 47 | S | 87 | Confident | 76.3 | Confident | 50 Ų | 50 | 103 Ų | 103 | 35% | 0.35 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 173.8 | -168.4 | 0 | 0 | 0 | 0 | 110.3 | D43 V44 V49 N50 E51 | D43-S47 PolarHBondContact O-N 3.22Å; V44-S47 PolarHBondContact O-N 2.96Å; S47-V49 VanDerWaalsContact C-N 3.29Å; S47-V49 PolarHBondContact O-N 2.89Å; S47-N50 PolarHBondContact O-N 3.3Å; S47-N50 VanDerWaalsContact O-N 3.14Å; S47-E51 WeakPolarHBondContact O-CB 3.45Å; S47-E51 VanDerWaalsContact O-CG 3.23Å; S47-E51 WeakPolarHBondContact O-CG 3.45Å; S47-E51 PolarHBondContact O-N 3.35Å; S47-E51 PolarHBondContact OG-OE2 3.38Å |
| 48 | L | 89.2 | Confident | 75.7 | Confident | 120 Ų | 120 | 105.9 Ų | 105.9 | 63% | 0.628 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.6 | -40.8 | -177.8 | -177.3 | 62.6 | 0 | 0 | 0 | 112.7 | V44 S52 | V44-L48 WeakPolarHBondContact O-CB 3.23Å; V44-L48 PolarHBondContact O-N 2.87Å; L48-S52 WeakPolarHBondContact O-CB 3.45Å; L48-S52 PolarHBondContact O-N 3.33Å; L48-S52 PolarHBondContact O-OG 3.13Å |
| 49 | V | 87.9 | Confident | 75.3 | Confident | 80 Ų | 80 | 104.3 Ų | 104.3 | 49% | 0.485 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.3 | -42.3 | 177.3 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | K45 S46 S47 E51 S52 E53 | K45-V49 WeakPolarHBondContact O-CG2 3.44Å; K45-V49 PolarHBondContact O-N 3.22Å; S46-V49 WeakPolarHBondContact O-CG2 3.44Å; S46-V49 PolarHBondContact O-N 3.35Å; S47-V49 VanDerWaalsContact C-N 3.29Å; S47-V49 PolarHBondContact O-N 2.89Å; V49-E51 PolarHBondContact O-N 3.46Å; V49-S52 WeakPolarHBondContact CA-OG 3.4Å; V49-S52 PolarHBondContact O-N 3.03Å; V49-S52 PolarHBondContact O-OG 3.04Å; V49-S52 VanDerWaalsContact O-OG 3.09Å; V49-E53 PolarHBondContact O-N 3.2Å |
| 50 | N | 78.3 | Confident | 74.4 | Confident | 95 Ų | 95 | 100.8 Ų | 100.8 | 51% | 0.508 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.3 | -35.5 | -178.8 | -67.4 | -31.9 | 0 | 0 | 0 | 112.5 | S46 S47 T54 | S46-N50 WeakPolarHBondContact O-CB 3.41Å; S46-N50 PolarHBondContact O-N 3.12Å; S46-N50 VanDerWaalsContact O-N 3.09Å; S46-N50 PolarHBondContact O-ND2 2.77Å; S47-N50 PolarHBondContact O-N 3.3Å; S47-N50 VanDerWaalsContact O-N 3.14Å; N50-T54 WeakPolarHBondContact O-CG2 3.13Å; N50-T54 PolarHBondContact O-N 3.42Å; N50-T54 PolarHBondContact O-OG1 3.48Å |
| 51 | E | 75.4 | Confident | 72.4 | Confident | 108 Ų | 108 | 103.5 Ų | 103.5 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.9 | -31 | 177.1 | -69.3 | 174.6 | 118.1 | 0 | 0 | 112.1 | S47 V49 T54 N55 | S47-E51 WeakPolarHBondContact O-CB 3.45Å; S47-E51 VanDerWaalsContact O-CG 3.23Å; S47-E51 WeakPolarHBondContact O-CG 3.45Å; S47-E51 PolarHBondContact O-N 3.35Å; S47-E51 PolarHBondContact OG-OE2 3.38Å; V49-E51 PolarHBondContact O-N 3.46Å; E51-T54 PolarHBondContact O-OG1 2.83Å; E51-N55 WeakPolarHBondContact O-CB 3.29Å; E51-N55 PolarHBondContact O-N 3.15Å |
| 52 | S | 68.9 | Low | 70.3 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 51% | 0.51 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -79.5 | -24.9 | -178.8 | 43.4 | 0 | 0 | 0 | 0 | 113.8 | L48 V49 | L48-S52 WeakPolarHBondContact O-CB 3.45Å; L48-S52 PolarHBondContact O-N 3.33Å; L48-S52 PolarHBondContact O-OG 3.13Å; V49-S52 WeakPolarHBondContact CA-OG 3.4Å; V49-S52 PolarHBondContact O-N 3.03Å; V49-S52 PolarHBondContact O-OG 3.04Å; V49-S52 VanDerWaalsContact O-OG 3.09Å |
| 53 | E | 64.6 | Low | 68.3 | Low | 147 Ų | 147 | 110.5 Ų | 110.5 | 69% | 0.687 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -79.6 | -32.7 | 173.6 | -65.7 | -173.3 | 139.9 | 0 | 0 | 112.6 | V49 | V49-E53 PolarHBondContact O-N 3.2Å |
| 54 | T | 61.6 | Low | 66.3 | Low | 89 Ų | 89 | 109.3 Ų | 109.3 | 55% | 0.546 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -83.3 | -18.2 | -178 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | N50 E51 Q56 N57 | N50-T54 WeakPolarHBondContact O-CG2 3.13Å; N50-T54 PolarHBondContact O-N 3.42Å; N50-T54 PolarHBondContact O-OG1 3.48Å; E51-T54 PolarHBondContact O-OG1 2.83Å; T54-Q56 PolarHBondContact O-N 3.38Å; T54-N57 PolarHBondContact O-N 3.44Å |
| 55 | N | 59.4 | Low | 64.3 | Low | 112 Ų | 112 | 112.2 Ų | 112.2 | 60% | 0.599 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 0.5 | 177.1 | -94.4 | -14.9 | 0 | 0 | 0 | 115.2 | E51 | E51-N55 WeakPolarHBondContact O-CB 3.29Å; E51-N55 PolarHBondContact O-N 3.15Å |
| 56 | Q | 58.1 | Low | 62.3 | Low | 170 Ų | 170 | 115.3 Ų | 115.3 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -5.5 | 161.9 | -63.6 | -61.7 | -49.9 | 0 | 0 | 113 | T54 | T54-Q56 PolarHBondContact O-N 3.38Š|
| 57 | N | 54.4 | Low | 60.3 | Low | 135 Ų | 135 | 124.4 Ų | 124.4 | 72% | 0.722 | 67% | 0.666 | S | S | * | * | trans | -106.5 | 9.5 | -178.4 | -100.6 | 85.5 | 0 | 0 | 0 | 114.6 | T54 S59 | T54-N57 PolarHBondContact O-N 3.44Å; N57-S59 PolarHBondContact O-N 3.15Å | ||
| 58 | S | 52.4 | Low | 58.5 | Low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -75.6 | 59.9 | 166.5 | -71.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 59 | S | 53 | Low | 56.8 | Low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -154.4 | 101.8 | 161.4 | -175 | 0 | 0 | 0 | 0 | 108.8 | N57 | N57-S59 PolarHBondContact O-N 3.15Š|
| 60 | S | 53.7 | Low | 54.8 | Low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | 63.1 | 101.4 | 149.7 | -166 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 61 | D | 44.2 | Very low | 53.5 | Low | 145 Ų | 145 | 136.7 Ų | 136.7 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | -166.1 | 113.7 | 124 | -131 | -16.6 | 0 | 0 | 0 | 115.1 | |||||
| 62 | S | 45.6 | Very low | 52.3 | Low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | 21.6 | 102.9 | 136.1 | -39.2 | 0 | 0 | 0 | 0 | 120.8 | A64 | S62-A64 PolarHBondContact O-N 3.48Å; S62-A64 VanDerWaalsContact O-N 3.13Å | ||
| 63 | E | 45.8 | Very low | 51.4 | Low | 202 Ų | 202 | 140.8 Ų | 140.8 | 94% | 0.944 | 75% | 0.749 | S | S | * | * | trans | -71.3 | 96.2 | 157.1 | -78.5 | -78.7 | 123.2 | 0 | 0 | 110.1 | ||||
| 64 | A | 46.8 | Very low | 50.8 | Low | 82 Ų | 82 | 139.4 Ų | 139.4 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | -117 | 86.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S62 | S62-A64 PolarHBondContact O-N 3.48Å; S62-A64 VanDerWaalsContact O-N 3.13Å | ||
| 65 | E | 47.3 | Very low | 50.4 | Low | 154 Ų | 154 | 142.9 Ų | 142.9 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -164.4 | 96.2 | 151.1 | -117.2 | 151.6 | -162.9 | 0 | 0 | 118.7 | ||||
| 66 | R | 47.6 | Very low | 50.2 | Low | 199 Ų | 199 | 147.3 Ų | 147.3 | 75% | 0.751 | 77% | 0.767 | S | S | * | * | trans | 67.7 | 94.3 | 132.7 | -58.8 | -172.1 | -108.2 | 126.2 | -6.2 | 123.5 | ||||
| 67 | R | 44.3 | Very low | 50 | Low | 241 Ų | 241 | 144.9 Ų | 144.9 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | 83.9 | 157 | 131.8 | -87.4 | -164.9 | 172 | 89.2 | 0.5 | 122.8 | ||||
| 68 | P | 50.5 | Low | 50.1 | Low | 113 Ų | 113 | 146.7 Ų | 146.7 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | -106.3 | -179.3 | -127.3 | 46.2 | -40.6 | 0 | 0 | 0 | 116.5 | |||||
| 69 | P | 53.6 | Low | 50.4 | Low | 112 Ų | 112 | 146.4 Ų | 146.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 152 | -159.8 | 36.1 | -32.8 | 0 | 0 | 0 | 114.5 | R71 | P69-R71 PolarHBondContact O-N 2.7Š|
| 70 | P | 45.8 | Very low | 50.5 | Low | 130 Ų | 130 | 150.6 Ų | 150.6 | 84% | 0.844 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -81 | 117.4 | 169 | 30.9 | -30.3 | 0 | 0 | 0 | 111.4 | ||
| 71 | R | 51.2 | Low | 50.6 | Low | 248 Ų | 248 | 152.4 Ų | 152.4 | 94% | 0.936 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 128.7 | 162.3 | -75.7 | 171.8 | 129.8 | 138.7 | -3.6 | 109.4 | P69 | P69-R71 PolarHBondContact O-N 2.7Š|
| 72 | S | 49.5 | Very low | 51.2 | Low | 107 Ų | 107 | 149.2 Ų | 149.2 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -156.7 | 97.8 | 153.8 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 73 | E | 50.4 | Low | 51.9 | Low | 161 Ų | 161 | 150.9 Ų | 150.9 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | 34.3 | 94.1 | 131.4 | -63.1 | -67.5 | 147.8 | 0 | 0 | 119.1 | ||||
| 74 | T | 52.3 | Low | 52.4 | Low | 117 Ų | 117 | 148 Ų | 148 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | -133.3 | 64.2 | 141 | 58.8 | 0 | 0 | 0 | 0 | 108 | R76 | T74-R76 PolarHBondContact O-N 3.46Š| ||
| 75 | F | 52.6 | Low | 52.9 | Low | 162 Ų | 162 | 150.2 Ų | 150.2 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | -90 | 21.9 | -169.2 | -155.9 | -97.2 | 0 | 0 | 0 | 114 | ||||
| 76 | R | 55.8 | Low | 53.1 | Low | 205 Ų | 205 | 146 Ų | 146 | 77% | 0.774 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -129.4 | -22.1 | -170.8 | -62.1 | -81 | -160 | -148.2 | -3.3 | 115.9 | T74 | T74-R76 PolarHBondContact O-N 3.46Š|
| 77 | D | 52.8 | Low | 53.6 | Low | 120 Ų | 120 | 140.1 Ų | 140.1 | 64% | 0.642 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -95.4 | -37.6 | -165.9 | -58.6 | -43.4 | 0 | 0 | 0 | 113.5 | T79 | D77-T79 PolarHBondContact O-N 3.26Š|
| 78 | K | 57.2 | Low | 54.2 | Low | 173 Ų | 173 | 137.7 Ų | 137.7 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -73.9 | -26.1 | -176.1 | -63.8 | 180 | 179.2 | 177.3 | 0 | 114.3 | S82 | K78-S82 WeakPolarHBondContact O-CB 3.32Å; K78-S82 PolarHBondContact O-N 3.44Å |
| 79 | T | 57.9 | Low | 54.5 | Low | 98 Ų | 98 | 142.2 Ų | 142.2 | 60% | 0.601 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -77.9 | -31.3 | -177.5 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | D77 L83 | D77-T79 PolarHBondContact O-N 3.26Å; T79-L83 WeakPolarHBondContact O-CB 3.04Å; T79-L83 PolarHBondContact O-N 2.52Å; T79-L83 VanDerWaalsContact O-N 3.12Å |
| 80 | R | 55.7 | Low | 54.6 | Low | 190 Ų | 190 | 145.5 Ų | 145.5 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -71 | -41.6 | -179.8 | -169.7 | 173.1 | -178.5 | 166.2 | 0.3 | 111.7 | E84 | R80-E84 PolarHBondContact O-N 3.35Å |
| 81 | E | 56.5 | Low | 54.6 | Low | 144 Ų | 144 | 147.2 Ų | 147.2 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -68.2 | -40.8 | 176.4 | -167.7 | 172.6 | -159.2 | 0 | 0 | 111.8 | L83 E84 E85 | E81-L83 PolarHBondContact O-N 3.5Å; E81-E84 PolarHBondContact O-N 2.8Å; E81-E85 PolarHBondContact O-N 3.36Å |
| 82 | S | 57 | Low | 54.7 | Low | 78 Ų | 78 | 138.9 Ų | 138.9 | 55% | 0.545 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -65.9 | -36.4 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 114 | K78 A86 | K78-S82 WeakPolarHBondContact O-CB 3.32Å; K78-S82 PolarHBondContact O-N 3.44Å; S82-A86 VanDerWaalsContact O-CB 3.31Å; S82-A86 WeakPolarHBondContact O-CB 3.07Å; S82-A86 PolarHBondContact O-N 2.74Å |
| 83 | L | 58.9 | Low | 55 | Low | 132 Ų | 132 | 136.6 Ų | 136.6 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -69.8 | -40.2 | 178.9 | -172.9 | 82.3 | 0 | 0 | 0 | 111.7 | T79 E81 E85 A86 A87 | T79-L83 WeakPolarHBondContact O-CB 3.04Å; T79-L83 PolarHBondContact O-N 2.52Å; T79-L83 VanDerWaalsContact O-N 3.12Å; E81-L83 PolarHBondContact O-N 3.5Å; L83-E85 VanDerWaalsContact C-N 3.33Å; L83-A86 PolarHBondContact O-N 3.23Å; L83-A87 WeakPolarHBondContact O-CB 3.43Å; L83-A87 PolarHBondContact O-N 3.12Å; L83-A87 VanDerWaalsContact O-N 3.1Å |
| 84 | E | 57.8 | Low | 55.6 | Low | 141 Ų | 141 | 137.2 Ų | 137.2 | 66% | 0.659 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -69.6 | -32.2 | -179.3 | -153 | 114.6 | -164.8 | 0 | 0 | 111.5 | R80 E81 | R80-E84 PolarHBondContact O-N 3.35Å; E81-E84 PolarHBondContact O-N 2.8Å |
| 85 | E | 56.5 | Low | 55.7 | Low | 130 Ų | 130 | 140.5 Ų | 140.5 | 61% | 0.607 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -78.8 | -32.8 | 174.8 | -167.8 | 170.5 | 175.6 | 0 | 0 | 113.1 | E81 L83 | E81-E85 PolarHBondContact O-N 3.36Å; L83-E85 VanDerWaalsContact C-N 3.33Å |
| 86 | A | 51.8 | Low | 56 | Low | 64 Ų | 64 | 143 Ų | 143 | 53% | 0.529 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -74.6 | -29.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S82 L83 K88 R89 | S82-A86 VanDerWaalsContact O-CB 3.31Å; S82-A86 WeakPolarHBondContact O-CB 3.07Å; S82-A86 PolarHBondContact O-N 2.74Å; L83-A86 PolarHBondContact O-N 3.23Å; A86-K88 VanDerWaalsContact C-N 3.26Å; A86-K88 PolarHBondContact O-N 3.07Å; A86-R89 PolarHBondContact O-N 3.48Å |
| 87 | A | 56.8 | Low | 55.9 | Low | 76 Ų | 76 | 138.1 Ų | 138.1 | 63% | 0.628 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -15.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L83 | L83-A87 WeakPolarHBondContact O-CB 3.43Å; L83-A87 PolarHBondContact O-N 3.12Å; L83-A87 VanDerWaalsContact O-N 3.1Å |
| 88 | K | 57.4 | Low | 56.3 | Low | 190 Ų | 190 | 137.5 Ų | 137.5 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 0.8 | 175.2 | -82.3 | -167.9 | 178 | -180 | 0 | 114.7 | A86 | A86-K88 VanDerWaalsContact C-N 3.26Å; A86-K88 PolarHBondContact O-N 3.07Å |
| 89 | R | 57.8 | Low | 56.2 | Low | 209 Ų | 209 | 135 Ų | 135 | 79% | 0.789 | 72% | 0.724 | S | S | * | * | trans | -121.5 | 56.8 | 178.3 | -59.4 | -177.3 | -173.1 | -108.1 | 4.5 | 110.7 | A86 | A86-R89 PolarHBondContact O-N 3.48Š| ||
| 90 | Q | 54.5 | Low | 56.2 | Low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | trans | -100.7 | 94.4 | 155.8 | -69 | -159.4 | -52.6 | 0 | 0 | 107.9 | ||||
| 91 | D | 46.8 | Very low | 56.2 | Low | 166 Ų | 166 | 137.2 Ų | 137.2 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | -168.6 | 134.8 | 124.7 | -140.2 | -17.4 | 0 | 0 | 0 | 111.4 | |||||
| 92 | G | 52.1 | Low | 56 | Low | 73 Ų | 73 | 133.7 Ų | 133.7 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | 85.5 | 104 | 156 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 93 | G | 56.2 | Low | 55.6 | Low | 59 Ų | 59 | 137.1 Ų | 137.1 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | 110.2 | 82.3 | 125.2 | 0 | 0 | 0 | 0 | 0 | 118 | F95 | G93-F95 VanDerWaalsContact C-N 3.25Å; G93-F95 PolarHBondContact O-N 3.19Å | |||
| 94 | L | 63.8 | Low | 55.9 | Low | 173 Ų | 173 | 134.7 Ų | 134.7 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | 44.4 | 19.3 | 112.5 | -92.5 | 76.9 | 0 | 0 | 0 | 121.9 | |||||
| 95 | F | 53.8 | Low | 55.8 | Low | 187 Ų | 187 | 136.9 Ų | 136.9 | 82% | 0.82 | 74% | 0.743 | S | S | * | * | trans | -136.7 | 101.5 | 173.4 | -75.9 | -85.9 | 0 | 0 | 0 | 111.8 | G93 S97 | G93-F95 VanDerWaalsContact C-N 3.25Å; G93-F95 PolarHBondContact O-N 3.19Å; F95-S97 VanDerWaalsContact C-N 3.35Å; F95-S97 PolarHBondContact O-N 3.46Å | ||
| 96 | K | 58.6 | Low | 56.2 | Low | 215 Ų | 215 | 136.1 Ų | 136.1 | 94% | 0.935 | 74% | 0.741 | S | S | * | * | trans | -64.6 | 100 | 153.9 | -83.7 | -173.6 | 173.3 | -168.6 | 0 | 107.2 | ||||
| 97 | S | 53.3 | Low | 56.6 | Low | 101 Ų | 101 | 141.1 Ų | 141.1 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -67 | 136.9 | 158.9 | 36.4 | 0 | 0 | 0 | 0 | 108.8 | F95 | F95-S97 VanDerWaalsContact C-N 3.35Å; F95-S97 PolarHBondContact O-N 3.46Å | ||
| 98 | P | 61.3 | Low | 56.7 | Low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -53.2 | 147.4 | 172.3 | -26 | 34.5 | 0 | 0 | 0 | 111.3 | Y100 | P98-Y100 PolarHBondContact O-N 3.35Š| ||
| 99 | P | 56.6 | Low | 56.8 | Low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -77.6 | 66.9 | -177.6 | 35.1 | -35 | 0 | 0 | 0 | 109.6 | ||
| 100 | Y | 56.8 | Low | 56.8 | Low | 213 Ų | 213 | 134.3 Ų | 134.3 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | trans | -138.3 | 97.4 | 171.9 | -97.8 | -80.6 | 0 | 0 | 0 | 110.3 | P98 | P98-Y100 PolarHBondContact O-N 3.35Š| ||
| 101 | P | 56.4 | Low | 56.9 | Low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | -75.3 | 134.4 | 165.5 | 31.6 | -28.1 | 0 | 0 | 0 | 108.4 | ||||
| 102 | G | 51.3 | Low | 57.2 | Low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | 88.2 | 66.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P104 | G102-P104 VanDerWaalsContact C-CD 3.46Å; G102-P104 VanDerWaalsContact O-CD 3.32Å; G102-P104 WeakPolarHBondContact O-CD 2.97Å | ||
| 103 | Y | 49.4 | Very low | 57.2 | Low | 151 Ų | 151 | 130.1 Ų | 130.1 | 59% | 0.592 | 71% | 0.712 | S | S | * | * | trans | -88.8 | 107.7 | 148 | -150.5 | -92.5 | 0 | 0 | 0 | 109.7 | I106 | Y103-I106 VanDerWaalsContact CE1-CA 3.5Å; Y103-I106 HydrophobicContact CE1-CB 4.31Å; Y103-I106 HydrophobicContact CE1-CG1 4.43Å; Y103-I106 WeakPolarHBondContact CE1-O 3.28Å; Y103-I106 WeakPolarHBondContact OH-CA 3.18Å; Y103-I106 WeakPolarHBondContact OH-CB 3.02Å; Y103-I106 WeakPolarHBondContact OH-CG1 3.31Å; Y103-I106 WeakPolarHBondContact OH-CG2 3.19Å; Y103-I106 PolarHBondContact OH-O 3.26Å | ||
| 104 | P | 65.2 | Low | 57.3 | Low | 80 Ų | 80 | 132.9 Ų | 132.9 | 52% | 0.519 | 72% | 0.719 | S | S | . | * | trans | -121 | 117.5 | 133.4 | 35.3 | -25.9 | 0 | 0 | 0 | 104.3 | G102 | G102-P104 VanDerWaalsContact C-CD 3.46Å; G102-P104 VanDerWaalsContact O-CD 3.32Å; G102-P104 WeakPolarHBondContact O-CD 2.97Å | ||
| 105 | F | 56.3 | Low | 56.7 | Low | 188 Ų | 188 | 134.1 Ų | 134.1 | 83% | 0.825 | 71% | 0.713 | S | S | * | * | S | Bend | -172 | -4 | 79.7 | -63.9 | -72.3 | 0 | 0 | 0 | 113 | M107 | F105-M107 PolarHBondContact O-N 2.8Š| |
| 106 | I | 63.8 | Low | 56.9 | Low | 113 Ų | 113 | 131.4 Ų | 131.4 | 58% | 0.579 | 71% | 0.706 | S | S | * | * | trans | -98.9 | 68.8 | 179.2 | 15.1 | -142.8 | 0 | 0 | 0 | 111.4 | Y103 I108 | Y103-I106 VanDerWaalsContact CE1-CA 3.5Å; Y103-I106 HydrophobicContact CE1-CB 4.31Å; Y103-I106 HydrophobicContact CE1-CG1 4.43Å; Y103-I106 WeakPolarHBondContact CE1-O 3.28Å; Y103-I106 WeakPolarHBondContact OH-CA 3.18Å; Y103-I106 WeakPolarHBondContact OH-CB 3.02Å; Y103-I106 WeakPolarHBondContact OH-CG1 3.31Å; Y103-I106 WeakPolarHBondContact OH-CG2 3.19Å; Y103-I106 PolarHBondContact OH-O 3.26Å; I106-I108 HydrophobicContact CG2-CG1 3.66Å; I106-I108 PolarHBondContact O-N 2.92Å | ||
| 107 | M | 59.5 | Low | 56.4 | Low | 170 Ų | 170 | 126.8 Ų | 126.8 | 84% | 0.837 | 70% | 0.698 | S | S | * | * | trans | -53.6 | 101.4 | 157.4 | -76.1 | -171.5 | -67.2 | 0 | 0 | 104.3 | F105 P109 | F105-M107 PolarHBondContact O-N 2.8Å; M107-P109 WeakPolarHBondContact O-CD 3.43Å | ||
| 108 | I | 60.6 | Low | 56.6 | Low | 135 Ų | 135 | 129.7 Ų | 129.7 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | trans | -64.4 | 108.4 | 173 | -61 | 175.8 | 0 | 0 | 0 | 102.5 | I106 D110 | I106-I108 HydrophobicContact CG2-CG1 3.66Å; I106-I108 PolarHBondContact O-N 2.92Å; I108-D110 PolarHBondContact O-N 2.98Å | ||
| 109 | P | 59 | Low | 56.2 | Low | 94 Ų | 94 | 127 Ų | 127 | 61% | 0.61 | 70% | 0.698 | S | S | * | * | trans | -63.2 | 132.4 | 179 | -12.3 | 28.4 | 0 | 0 | 0 | 105.8 | M107 L111 | M107-P109 WeakPolarHBondContact O-CD 3.43Å; P109-L111 VanDerWaalsContact O-CD1 3.28Å; P109-L111 WeakPolarHBondContact O-CD1 3.47Å; P109-L111 PolarHBondContact O-N 3.06Å | ||
| 110 | D | 57.7 | Low | 56.3 | Low | 103 Ų | 103 | 127 Ų | 127 | 55% | 0.551 | 70% | 0.701 | S | S | * | * | trans | -62.2 | 109 | 174.7 | -168.9 | -17.2 | 0 | 0 | 0 | 108.3 | I108 T112 S113 | I108-D110 PolarHBondContact O-N 2.98Å; D110-T112 PolarHBondContact O-N 3.02Å; D110-T112 WeakPolarHBondContact OD1-CB 3.45Å; D110-T112 PolarHBondContact OD1-N 3.43Å; D110-T112 VanDerWaalsContact OD1-N 3.12Å; D110-T112 PolarHBondContact OD1-OG1 3.1Å; D110-T112 PolarHBondContact OD2-OG1 3.33Å; D110-S113 WeakPolarHBondContact O-CB 3.25Å; D110-S113 PolarHBondContact O-N 3Å | ||
| 111 | L | 57 | Low | 56.2 | Low | 157 Ų | 157 | 125.3 Ų | 125.3 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -6 | 179.9 | -93.3 | 71.7 | 0 | 0 | 0 | 112.8 | P109 | P109-L111 VanDerWaalsContact O-CD1 3.28Å; P109-L111 WeakPolarHBondContact O-CD1 3.47Å; P109-L111 PolarHBondContact O-N 3.06Å |
| 112 | T | 53.4 | Low | 55.8 | Low | 114 Ų | 114 | 124.2 Ų | 124.2 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -4.2 | 174.4 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | D110 | D110-T112 PolarHBondContact O-N 3.02Å; D110-T112 WeakPolarHBondContact OD1-CB 3.45Å; D110-T112 PolarHBondContact OD1-N 3.43Å; D110-T112 VanDerWaalsContact OD1-N 3.12Å; D110-T112 PolarHBondContact OD1-OG1 3.1Å; D110-T112 PolarHBondContact OD2-OG1 3.33Å |
| 113 | S | 51.1 | Low | 55.5 | Low | 61 Ų | 61 | 126.8 Ų | 126.8 | 43% | 0.427 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -77.8 | 129.6 | 176.4 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | D110 Y115 | D110-S113 WeakPolarHBondContact O-CB 3.25Å; D110-S113 PolarHBondContact O-N 3Å; S113-Y115 PolarHBondContact O-N 2.84Å |
| 114 | P | 57.5 | Low | 55.4 | Low | 116 Ų | 116 | 126.1 Ų | 126.1 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -71.6 | 18.6 | -178.8 | 30.1 | -34.4 | 0 | 0 | 0 | 114 | ||
| 115 | Y | 51.7 | Low | 54.4 | Low | 199 Ų | 199 | 127 Ų | 127 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | trans | -120.2 | 38.6 | -171.1 | -61.5 | -75 | 0 | 0 | 0 | 112.6 | S113 P117 | S113-Y115 PolarHBondContact O-N 2.84Å; Y115-P117 VanDerWaalsContact O-CD 3.25Å; Y115-P117 WeakPolarHBondContact O-CD 3.45Å | ||
| 116 | L | 58.1 | Low | 54.1 | Low | 131 Ų | 131 | 129.5 Ų | 129.5 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | trans | -66.1 | 116.3 | 151.5 | -69.2 | 179.7 | 0 | 0 | 0 | 106.3 | N118 | L116-N118 PolarHBondContact O-N 3.35Š| ||
| 117 | P | 49.3 | Very low | 52.8 | Low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | trans | -75 | 84.4 | 176 | 32.6 | -28.6 | 0 | 0 | 0 | 106.4 | Y115 G119 | Y115-P117 VanDerWaalsContact O-CD 3.25Å; Y115-P117 WeakPolarHBondContact O-CD 3.45Å; P117-G119 PolarHBondContact O-N 2.67Å | ||
| 118 | N | 56.6 | Low | 51.9 | Low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | trans | -62.4 | 93.9 | 157.8 | -78.6 | -36.8 | 0 | 0 | 0 | 106.7 | L116 | L116-N118 PolarHBondContact O-N 3.35Š| ||
| 119 | G | 53.2 | Low | 51.4 | Low | 52 Ų | 52 | 132.9 Ų | 132.9 | 54% | 0.536 | 77% | 0.774 | S | S | . | * | trans | 177.3 | 87.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P117 L121 | P117-G119 PolarHBondContact O-N 2.67Å; G119-L121 PolarHBondContact O-N 3.12Å | ||
| 120 | S | 57.7 | Low | 51.1 | Low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -26.5 | 115.5 | 161.8 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | S122 | S120-S122 PolarHBondContact O-N 3.32Š| ||
| 121 | L | 55.7 | Low | 50.7 | Low | 178 Ų | 178 | 136.7 Ų | 136.7 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | -90.4 | 99.3 | 158.7 | -72.2 | 170.1 | 0 | 0 | 0 | 107.4 | G119 | G119-L121 PolarHBondContact O-N 3.12Š| ||
| 122 | S | 46.9 | Very low | 50.3 | Low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -58.6 | 150.5 | 171.2 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | S120 T124 | S120-S122 PolarHBondContact O-N 3.32Å; S122-T124 PolarHBondContact O-N 2.76Å | ||
| 123 | P | 46.2 | Very low | 50.1 | Low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -60.8 | 122.7 | -179.7 | -19.9 | 31.8 | 0 | 0 | 0 | 113 | ||
| 124 | T | 46.4 | Very low | 50.1 | Low | 137 Ų | 137 | 141.9 Ų | 141.9 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | 0.6 | 110.6 | 164.2 | -51.6 | 0 | 0 | 0 | 0 | 117.9 | S122 | S122-T124 PolarHBondContact O-N 2.76Š| ||
| 125 | A | 44.1 | Very low | 49.5 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | trans | -74 | 137.2 | 163 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 126 | R | 49.9 | Very low | 49.4 | Very low | 240 Ų | 240 | 139.5 Ų | 139.5 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | trans | -62.1 | 151.6 | 179.7 | -76.3 | 170.7 | 157.8 | 176.6 | -6.4 | 113.3 | ||||
| 127 | T | 38.1 | Very low | 48.6 | Very low | 133 Ų | 133 | 140.3 Ų | 140.3 | 82% | 0.816 | 85% | 0.846 | S | S | * | * | trans | -38.6 | 133.5 | 166.2 | 51.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 128 | V | 39.4 | Very low | 48.6 | Very low | 224 Ų | 224 | 142.4 Ų | 142.4 | 100% | 1.358 | 85% | 0.854 | S | S | * | * | -158.3 | 0 | 129.4 | -89.7 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 128 of 128 residues in 76.8 ms
(Link to these results)