| 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 | 44.9 | Very low | 54.3 | Low | 232 Ų | 232 | 156.5 Ų | 156.5 | 100% | 1.143 | 80% | 0.798 | S | S | * | * | 0 | 96.6 | 0 | -70.8 | -173.5 | -180 | 0 | 0 | 105.3 | |||||
| 2 | D | 44.6 | Very low | 54.8 | Low | 159 Ų | 159 | 149.7 Ų | 149.7 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -74.4 | 122.2 | -174.4 | -55.8 | -78.8 | 0 | 0 | 0 | 109.2 | Q4 | D2-Q4 PolarHBondContact O-N 3.1Š| ||
| 3 | I | 56 | Low | 54.9 | Low | 163 Ų | 163 | 150.3 Ų | 150.3 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -82.6 | 105.5 | 174.7 | -68.6 | 161.1 | 0 | 0 | 0 | 106.2 | K5 | I3-K5 PolarHBondContact O-N 3.36Å; I3-K5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | Q | 52.9 | Low | 55.7 | Low | 189 Ų | 189 | 155.6 Ų | 155.6 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -72 | 101.8 | 169.4 | -70.6 | -173.1 | -12.4 | 0 | 0 | 108.4 | D2 S6 | D2-Q4 PolarHBondContact O-N 3.1Å; Q4-S6 PolarHBondContact O-N 3.34Å | ||
| 5 | K | 53.2 | Low | 55.8 | Low | 156 Ų | 156 | 156.9 Ų | 156.9 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -72.4 | 107.9 | 166.5 | 179.5 | -173.1 | 170 | -131.8 | 0 | 107.2 | I3 E7 | I3-K5 PolarHBondContact O-N 3.36Å; I3-K5 VanDerWaalsContact O-N 3.1Å; K5-E7 HydrophobicContact CG-CG 4.46Å; K5-E7 IonicContact NZ-OE1 2.79Å; K5-E7 PolarHBondContact NZ-OE1 2.79Å; K5-E7 PolarHBondContact O-N 3.47Å | ||
| 6 | S | 58.5 | Low | 56.2 | Low | 117 Ų | 117 | 157.3 Ų | 157.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -74.5 | 111.1 | 169.5 | 54 | 0 | 0 | 0 | 0 | 108.7 | Q4 | Q4-S6 PolarHBondContact O-N 3.34Š| ||
| 7 | E | 55.3 | Low | 56.7 | Low | 137 Ų | 137 | 156.2 Ų | 156.2 | 64% | 0.64 | 79% | 0.789 | S | S | * | * | trans | -81.7 | 117 | 170.4 | -64.2 | 179.3 | 147.7 | 0 | 0 | 107.3 | K5 | K5-E7 HydrophobicContact CG-CG 4.46Å; K5-E7 IonicContact NZ-OE1 2.79Å; K5-E7 PolarHBondContact NZ-OE1 2.79Å; K5-E7 PolarHBondContact O-N 3.47Å | ||
| 8 | N | 56.8 | Low | 56.8 | Low | 143 Ų | 143 | 155.3 Ų | 155.3 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -111.6 | 97 | 165.4 | 174.3 | 57 | 0 | 0 | 0 | 106.1 | D10 | N8-D10 PolarHBondContact O-N 3.38Š| ||
| 9 | E | 57.4 | Low | 57 | Low | 171 Ų | 171 | 155.1 Ų | 155.1 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -79.2 | 99 | 169.3 | -66.4 | 175.7 | 168.7 | 0 | 0 | 107 | D11 | E9-D11 PolarHBondContact O-N 3.27Š| ||
| 10 | D | 59 | Low | 57.1 | Low | 123 Ų | 123 | 156 Ų | 156 | 66% | 0.658 | 79% | 0.789 | S | S | * | * | trans | -89.3 | 85.2 | 168.4 | -178.1 | 15.5 | 0 | 0 | 0 | 107.7 | N8 S12 | N8-D10 PolarHBondContact O-N 3.38Å; D10-S12 PolarHBondContact O-N 2.95Å; D10-S12 PolarHBondContact OD1-OG 3.33Å; D10-S12 VanDerWaalsContact OD1-OG 3.13Å | ||
| 11 | D | 58.3 | Low | 57.4 | Low | 132 Ų | 132 | 157.8 Ų | 157.8 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -87.9 | 80.6 | 175.3 | -167 | 23.6 | 0 | 0 | 0 | 109.2 | E9 E13 | E9-D11 PolarHBondContact O-N 3.27Å; D11-E13 VanDerWaalsContact C-N 3.31Å; D11-E13 PolarHBondContact O-N 3.5Å | ||
| 12 | S | 61 | Low | 57.8 | Low | 74 Ų | 74 | 150.3 Ų | 150.3 | 52% | 0.517 | 77% | 0.774 | S | S | . | * | trans | -83.6 | 77.1 | 171.5 | -74.5 | 0 | 0 | 0 | 0 | 109.7 | D10 W14 | D10-S12 PolarHBondContact O-N 2.95Å; D10-S12 PolarHBondContact OD1-OG 3.33Å; D10-S12 VanDerWaalsContact OD1-OG 3.13Å; S12-W14 PolarHBondContact O-N 3.4Å; S12-W14 VanDerWaalsContact O-N 3.16Å | ||
| 13 | E | 55.3 | Low | 58.4 | Low | 158 Ų | 158 | 150 Ų | 150 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -78 | 86.6 | 174.8 | -158.5 | 177.9 | -151.3 | 0 | 0 | 109.5 | D11 E15 | D11-E13 VanDerWaalsContact C-N 3.31Å; D11-E13 PolarHBondContact O-N 3.5Å; E13-E15 PolarHBondContact O-N 2.92Å | ||
| 14 | W | 66.4 | Low | 58.5 | Low | 225 Ų | 225 | 146.8 Ų | 146.8 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | -79.2 | 109.4 | 169.7 | -67.9 | 94.2 | 0 | 0 | 0 | 108.6 | S12 D16 | S12-W14 PolarHBondContact O-N 3.4Å; S12-W14 VanDerWaalsContact O-N 3.16Å; W14-D16 PolarHBondContact O-N 3.45Å | ||
| 15 | E | 56.8 | Low | 58.8 | Low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -60.6 | 119.3 | 172.7 | -68 | -177.6 | 160.9 | 0 | 0 | 109.9 | E13 V17 | E13-E15 PolarHBondContact O-N 2.92Å; E15-V17 PolarHBondContact O-N 3.01Å; E15-V17 VanDerWaalsContact O-N 3.11Å | ||
| 16 | D | 63.1 | Low | 58.9 | Low | 163 Ų | 163 | 141.3 Ų | 141.3 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | -59 | 110.2 | 170 | -79.8 | -37.7 | 0 | 0 | 0 | 109.1 | W14 D18 | W14-D16 PolarHBondContact O-N 3.45Å; D16-D18 PolarHBondContact O-N 2.91Å; D16-D18 VanDerWaalsContact O-N 3.1Å | ||
| 17 | V | 64.1 | Low | 58.7 | Low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | trans | -72.5 | 103.7 | 169.1 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | E15 D19 | E15-V17 PolarHBondContact O-N 3.01Å; E15-V17 VanDerWaalsContact O-N 3.11Å; V17-D19 PolarHBondContact O-N 3.31Å; V17-D19 VanDerWaalsContact O-N 3.14Å | ||
| 18 | D | 59.3 | Low | 58.7 | Low | 141 Ų | 141 | 146 Ų | 146 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | -56.2 | 108.6 | 172.1 | -169 | 24.4 | 0 | 0 | 0 | 109.8 | D16 E20 | D16-D18 PolarHBondContact O-N 2.91Å; D16-D18 VanDerWaalsContact O-N 3.1Å; D18-E20 PolarHBondContact O-N 3.48Å | ||
| 19 | D | 60.6 | Low | 58.6 | Low | 150 Ų | 150 | 146.1 Ų | 146.1 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | -73.6 | 79.6 | 172.4 | -170.8 | 30.2 | 0 | 0 | 0 | 108.2 | V17 K21 | V17-D19 PolarHBondContact O-N 3.31Å; V17-D19 VanDerWaalsContact O-N 3.14Å; D19-K21 PolarHBondContact O-N 3.46Å; D19-K21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | E | 59.1 | Low | 58.8 | Low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | -64.2 | 110.5 | 174.9 | -165.2 | -179.7 | -170.7 | 0 | 0 | 109 | D18 G22 | D18-E20 PolarHBondContact O-N 3.48Å; E20-G22 PolarHBondContact O-N 3.25Å; E20-G22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | K | 62.4 | Low | 58.8 | Low | 194 Ų | 194 | 141.6 Ų | 141.6 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -43.4 | 110 | -176.9 | -57.6 | -165 | -178.8 | -176.3 | 0 | 113.3 | D19 D23 | D19-K21 PolarHBondContact O-N 3.46Å; D19-K21 VanDerWaalsContact O-N 3.08Å; K21-D23 PolarHBondContact O-N 2.81Å | ||
| 22 | G | 52.9 | Low | 58.7 | Low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -64.2 | 110.1 | 160 | 0 | 0 | 0 | 0 | 0 | 110.2 | E20 S24 | E20-G22 PolarHBondContact O-N 3.25Å; E20-G22 VanDerWaalsContact O-N 3.1Å; G22-S24 PolarHBondContact O-N 3.47Å | ||
| 23 | D | 58.1 | Low | 58.3 | Low | 153 Ų | 153 | 142.6 Ų | 142.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -53.4 | 101.3 | 169.2 | -175.3 | 28.8 | 0 | 0 | 0 | 110.3 | K21 N25 | K21-D23 PolarHBondContact O-N 2.81Å; D23-N25 PolarHBondContact O-N 3.35Å; D23-N25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | S | 57.6 | Low | 58.2 | Low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | -77.8 | 96.5 | 172.8 | -178 | 0 | 0 | 0 | 0 | 108.1 | G22 D26 | G22-S24 PolarHBondContact O-N 3.47Å; S24-D26 PolarHBondContact OG-OD2 3.07Å | ||
| 25 | N | 59.9 | Low | 57.2 | Low | 126 Ų | 126 | 138.2 Ų | 138.2 | 67% | 0.674 | 78% | 0.776 | S | S | * | * | trans | -117.5 | 68.9 | 163.1 | -159.2 | 37.3 | 0 | 0 | 0 | 108.9 | D23 D27 | D23-N25 PolarHBondContact O-N 3.35Å; D23-N25 VanDerWaalsContact O-N 3.14Å; N25-D27 PolarHBondContact O-N 3.12Å | ||
| 26 | D | 54.9 | Low | 57 | Low | 104 Ų | 104 | 137.1 Ų | 137.1 | 56% | 0.556 | 78% | 0.775 | S | S | * | * | trans | -90.4 | 92 | 169.4 | -63.5 | -56.7 | 0 | 0 | 0 | 108.4 | S24 Y28 | S24-D26 PolarHBondContact OG-OD2 3.07Å; D26-Y28 VanDerWaalsContact C-N 3.27Å; D26-Y28 HydrophobicContact CB-CD2 3.88Å; D26-Y28 HydrophobicContact CB-CE2 3.55Å; D26-Y28 VanDerWaalsContact O-CD2 3.3Å; D26-Y28 WeakPolarHBondContact O-CD2 3.46Å; D26-Y28 PolarHBondContact O-N 3.48Å | ||
| 27 | D | 54.7 | Low | 56.5 | Low | 151 Ų | 151 | 137.3 Ų | 137.3 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | -63.3 | 91 | 162.5 | -97 | -34 | 0 | 0 | 0 | 108.5 | N25 D29 | N25-D27 PolarHBondContact O-N 3.12Å; D27-D29 VanDerWaalsContact C-N 3.33Å; D27-D29 PolarHBondContact O-N 3.03Å | ||
| 28 | Y | 56 | Low | 55.8 | Low | 201 Ų | 201 | 136.9 Ų | 136.9 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | -73.3 | 83.7 | 169.9 | -78.7 | -89.3 | 0 | 0 | 0 | 110.2 | D26 S30 | D26-Y28 VanDerWaalsContact C-N 3.27Å; D26-Y28 HydrophobicContact CB-CD2 3.88Å; D26-Y28 HydrophobicContact CB-CE2 3.55Å; D26-Y28 VanDerWaalsContact O-CD2 3.3Å; D26-Y28 WeakPolarHBondContact O-CD2 3.46Å; D26-Y28 PolarHBondContact O-N 3.48Å; Y28-S30 VanDerWaalsContact C-N 3.28Å; Y28-S30 PolarHBondContact O-N 3.47Å | ||
| 29 | D | 54.9 | Low | 55.1 | Low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -84.2 | 76.7 | 160.7 | -161.1 | 9.5 | 0 | 0 | 0 | 109.3 | D27 A31 | D27-D29 VanDerWaalsContact C-N 3.33Å; D27-D29 PolarHBondContact O-N 3.03Å; D29-A31 PolarHBondContact O-N 3.04Å; D29-A31 VanDerWaalsContact O-N 3.09Å; D29-A31 WeakPolarHBondContact OD1-CB 3.24Å | ||
| 30 | S | 61.4 | Low | 54.3 | Low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -83.4 | 59.1 | 169.3 | -156 | 0 | 0 | 0 | 0 | 110.1 | Y28 | Y28-S30 VanDerWaalsContact C-N 3.28Å; Y28-S30 PolarHBondContact O-N 3.47Å | ||
| 31 | A | 57.6 | Low | 53.7 | Low | 84 Ų | 84 | 133.9 Ų | 133.9 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | trans | -98 | 73.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | D29 | D29-A31 PolarHBondContact O-N 3.04Å; D29-A31 VanDerWaalsContact O-N 3.09Å; D29-A31 WeakPolarHBondContact OD1-CB 3.24Å | ||
| 32 | G | 56.2 | Low | 52.9 | Low | 56 Ų | 56 | 129.8 Ų | 129.8 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | trans | -158.4 | 104.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 33 | L | 53.4 | Low | 52.6 | Low | 171 Ų | 171 | 132.4 Ų | 132.4 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | trans | 102.3 | 52 | 172.9 | -53.1 | 164.8 | 0 | 0 | 0 | 116.2 | ||||
| 34 | L | 53.7 | Low | 52.2 | Low | 180 Ų | 180 | 128.7 Ų | 128.7 | 94% | 0.942 | 76% | 0.761 | S | S | * | * | trans | -119.6 | 77.9 | 142.9 | -64.9 | 176.4 | 0 | 0 | 0 | 108 | ||||
| 35 | S | 44.6 | Very low | 52 | Low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -96.1 | 85.6 | 158.1 | -163.2 | 0 | 0 | 0 | 0 | 106.5 | E37 | S35-E37 PolarHBondContact O-N 3.33Š| ||
| 36 | D | 51.9 | Low | 51.5 | Low | 150 Ų | 150 | 131.7 Ų | 131.7 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -74.3 | 108.8 | 170.4 | -169.4 | 23.1 | 0 | 0 | 0 | 107.9 | ||||
| 37 | E | 52.4 | Low | 51.3 | Low | 167 Ų | 167 | 134.5 Ų | 134.5 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -176.7 | 115.2 | 146.8 | 49.6 | -152.7 | -180 | 0 | 0 | 111.6 | S35 | S35-E37 PolarHBondContact O-N 3.33Š| ||
| 38 | D | 50.2 | Low | 51.1 | Low | 131 Ų | 131 | 136.9 Ų | 136.9 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 78.8 | 71.8 | 157.3 | -135.4 | 9.7 | 0 | 0 | 0 | 118.2 | ||||
| 39 | C | 44.3 | Very low | 51.1 | Low | 125 Ų | 125 | 130 Ų | 130 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -125.8 | 91.1 | 152.7 | -93.6 | 0 | 0 | 0 | 0 | 110.1 | S41 | C39-S41 PolarHBondContact O-N 2.96Š| ||
| 40 | M | 44.2 | Very low | 51.1 | Low | 157 Ų | 157 | 128.1 Ų | 128.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -40 | 108.5 | 165.1 | -67.1 | -71.7 | 172.6 | 0 | 0 | 110.4 | V42 | M40-V42 PolarHBondContact O-N 3.43Š| ||
| 41 | S | 46 | Very low | 50.8 | Low | 118 Ų | 118 | 124.8 Ų | 124.8 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -66.1 | 98.4 | 175.1 | -69.7 | 0 | 0 | 0 | 0 | 109.3 | C39 P43 | C39-S41 PolarHBondContact O-N 2.96Å; S41-P43 WeakPolarHBondContact O-CD 3.48Å | ||
| 42 | V | 47 | Very low | 50.7 | Low | 109 Ų | 109 | 126.2 Ų | 126.2 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | trans | -74.6 | 114.8 | 161.7 | 177.3 | 0 | 0 | 0 | 0 | 107 | M40 G44 | M40-V42 PolarHBondContact O-N 3.43Å; V42-G44 PolarHBondContact O-N 3.16Å; V42-G44 VanDerWaalsContact O-N 3.15Å | ||
| 43 | P | 45.3 | Very low | 50.7 | Low | 130 Ų | 130 | 130.1 Ų | 130.1 | 84% | 0.844 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 114.2 | 178.6 | -6.4 | 22.9 | 0 | 0 | 0 | 108.2 | S41 | S41-P43 WeakPolarHBondContact O-CD 3.48Š|
| 44 | G | 49.3 | Very low | 50.9 | Low | 75 Ų | 75 | 125.8 Ų | 125.8 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.7 | 3.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | V42 | V42-G44 PolarHBondContact O-N 3.16Å; V42-G44 VanDerWaalsContact O-N 3.15Å |
| 45 | K | 53.3 | Low | 51 | Low | 185 Ų | 185 | 121.6 Ų | 121.6 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -143.6 | 47.4 | -176 | -62.4 | -178.5 | 178 | 178.1 | 0 | 115.3 | ||
| 46 | T | 50.8 | Low | 51.4 | Low | 99 Ų | 99 | 127.2 Ų | 127.2 | 61% | 0.607 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -143.7 | -23.7 | 171.7 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | R48 A49 I50 | T46-R48 VanDerWaalsContact C-N 3.28Å; T46-R48 PolarHBondContact O-N 2.94Å; T46-A49 PolarHBondContact O-N 2.93Å; T46-I50 WeakPolarHBondContact O-CD1 3.37Å; T46-I50 VanDerWaalsContact O-CG1 3.31Å; T46-I50 WeakPolarHBondContact O-CG1 3.28Å; T46-I50 PolarHBondContact O-N 3.24Å |
| 47 | H | 50.4 | Low | 51.5 | Low | 163 Ų | 163 | 125.3 Ų | 125.3 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69 | -25.4 | -179 | -160.3 | -76.2 | 0 | 0 | 0 | 113.7 | A51 | H47-A51 WeakPolarHBondContact O-CB 3.47Å; H47-A51 PolarHBondContact O-N 3.44Å |
| 48 | R | 50.2 | Low | 51.7 | Low | 202 Ų | 202 | 122 Ų | 122 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.1 | -39.8 | 178.8 | -168.5 | 169 | -171.9 | -179.6 | 3.1 | 113 | T46 I50 A51 D52 | T46-R48 VanDerWaalsContact C-N 3.28Å; T46-R48 PolarHBondContact O-N 2.94Å; R48-I50 VanDerWaalsContact C-N 3.3Å; R48-I50 PolarHBondContact O-N 2.89Å; R48-A51 WeakPolarHBondContact O-CB 3.25Å; R48-A51 PolarHBondContact O-N 3.37Å; R48-D52 VanDerWaalsContact O-CG 3.28Å; R48-D52 PolarHBondContact O-N 3.09Å |
| 49 | A | 55.3 | Low | 52 | Low | 56 Ų | 56 | 123.2 Ų | 123.2 | 46% | 0.463 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.9 | -33.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T46 H53 | T46-A49 PolarHBondContact O-N 2.93Å; A49-H53 PolarHBondContact O-CD2 3.47Å; A49-H53 PolarHBondContact O-N 3.32Å |
| 50 | I | 55.2 | Low | 52.6 | Low | 105 Ų | 105 | 119.7 Ų | 119.7 | 54% | 0.538 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.1 | -36.7 | 175.4 | -58.1 | 164.3 | 0 | 0 | 0 | 110.6 | T46 R48 H53 L54 | T46-I50 WeakPolarHBondContact O-CD1 3.37Å; T46-I50 VanDerWaalsContact O-CG1 3.31Å; T46-I50 WeakPolarHBondContact O-CG1 3.28Å; T46-I50 PolarHBondContact O-N 3.24Å; R48-I50 VanDerWaalsContact C-N 3.3Å; R48-I50 PolarHBondContact O-N 2.89Å; I50-H53 PolarHBondContact O-N 2.94Å; I50-L54 HydrophobicContact CG2-CD1 4.49Å; I50-L54 PolarHBondContact O-N 3.13Å |
| 51 | A | 54.8 | Low | 53.2 | Low | 45 Ų | 45 | 121.2 Ų | 121.2 | 37% | 0.372 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.2 | -37.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | H47 R48 H53 L54 | H47-A51 WeakPolarHBondContact O-CB 3.47Å; H47-A51 PolarHBondContact O-N 3.44Å; R48-A51 WeakPolarHBondContact O-CB 3.25Å; R48-A51 PolarHBondContact O-N 3.37Å; A51-H53 PolarHBondContact O-N 2.85Å; A51-L54 WeakPolarHBondContact O-CB 3.03Å; A51-L54 PolarHBondContact O-N 3.31Å; A51-L54 VanDerWaalsContact O-N 3.08Å |
| 52 | D | 56.8 | Low | 54.4 | Low | 115 Ų | 115 | 116.2 Ų | 116.2 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70 | -16.4 | 176.8 | -62.5 | -24 | 0 | 0 | 0 | 112.7 | R48 | R48-D52 VanDerWaalsContact O-CG 3.28Å; R48-D52 PolarHBondContact O-N 3.09Å |
| 53 | H | 56.2 | Low | 55.2 | Low | 138 Ų | 138 | 115 Ų | 115 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -8.3 | 170.9 | -73.3 | -58.4 | 0 | 0 | 0 | 113.8 | A49 I50 A51 F55 | A49-H53 PolarHBondContact O-CD2 3.47Å; A49-H53 PolarHBondContact O-N 3.32Å; I50-H53 PolarHBondContact O-N 2.94Å; A51-H53 PolarHBondContact O-N 2.85Å; H53-F55 VanDerWaalsContact C-N 3.34Å; H53-F55 WeakPolarHBondContact O-CD2 3.41Å; H53-F55 VanDerWaalsContact O-CE2 3.3Å; H53-F55 WeakPolarHBondContact O-CE2 3.38Å; H53-F55 PolarHBondContact O-N 3.18Å; H53-F55 VanDerWaalsContact O-N 3.16Å |
| 54 | L | 58.1 | Low | 56.2 | Low | 80 Ų | 80 | 115.8 Ų | 115.8 | 42% | 0.419 | 58% | 0.579 | S | S | . | * | trans | -83.6 | 89 | 169.1 | -75.4 | 148.6 | 0 | 0 | 0 | 106.2 | I50 A51 W56 | I50-L54 HydrophobicContact CG2-CD1 4.49Å; I50-L54 PolarHBondContact O-N 3.13Å; A51-L54 WeakPolarHBondContact O-CB 3.03Å; A51-L54 PolarHBondContact O-N 3.31Å; A51-L54 VanDerWaalsContact O-N 3.08Å; L54-W56 HydrophobicContact CB-CG 4.29Å; L54-W56 HydrophobicContact CD2-CD2 4.36Å; L54-W56 HydrophobicContact CD2-CG 4.45Å; L54-W56 HydrophobicContact CD2-CZ2 4.27Å; L54-W56 PolarHBondContact O-N 3.41Å | ||
| 55 | F | 55.1 | Low | 57 | Low | 91 Ų | 91 | 113.7 Ų | 113.7 | 40% | 0.399 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -60.5 | 18.2 | 176 | -64.1 | -93.7 | 0 | 0 | 0 | 114.2 | H53 S57 E58 | H53-F55 VanDerWaalsContact C-N 3.34Å; H53-F55 WeakPolarHBondContact O-CD2 3.41Å; H53-F55 VanDerWaalsContact O-CE2 3.3Å; H53-F55 WeakPolarHBondContact O-CE2 3.38Å; H53-F55 PolarHBondContact O-N 3.18Å; H53-F55 VanDerWaalsContact O-N 3.16Å; F55-S57 PolarHBondContact O-N 3.22Å; F55-E58 PolarHBondContact O-N 2.85Å; F55-E58 VanDerWaalsContact O-N 3.11Å |
| 56 | W | 52.4 | Low | 57.4 | Low | 231 Ų | 231 | 112 Ų | 112 | 88% | 0.875 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -66.2 | -17.8 | 179.6 | -68.3 | 27.8 | 0 | 0 | 0 | 112.1 | L54 | L54-W56 HydrophobicContact CB-CG 4.29Å; L54-W56 HydrophobicContact CD2-CD2 4.36Å; L54-W56 HydrophobicContact CD2-CG 4.45Å; L54-W56 HydrophobicContact CD2-CZ2 4.27Å; L54-W56 PolarHBondContact O-N 3.41Å |
| 57 | S | 54.2 | Low | 57.8 | Low | 109 Ų | 109 | 115.8 Ų | 115.8 | 76% | 0.762 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -90.8 | -2.8 | 174.4 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | F55 E59 | F55-S57 PolarHBondContact O-N 3.22Å; S57-E59 PolarHBondContact O-N 2.72Å |
| 58 | E | 56.3 | Low | 58 | Low | 98 Ų | 98 | 110.5 Ų | 110.5 | 46% | 0.458 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -72.9 | 100.7 | 171.5 | -86.2 | 175.1 | 172.1 | 0 | 0 | 109.2 | F55 T60 R75 | F55-E58 PolarHBondContact O-N 2.85Å; F55-E58 VanDerWaalsContact O-N 3.11Å; E58-T60 PolarHBondContact O-N 3.04Å; E58-T60 PolarHBondContact O-OG1 3.21Å; E58-R75 IonicContact OE2-NE 2.86Å |
| 59 | E | 56.5 | Low | 58.3 | Low | 157 Ų | 157 | 109.9 Ų | 109.9 | 73% | 0.734 | 54% | 0.54 | S | S | * | . | trans | -51.6 | 85.7 | 179.2 | -171.2 | -173.8 | 164.2 | 0 | 0 | 112.4 | S57 R76 | S57-E59 PolarHBondContact O-N 2.72Å; E59-R76 PolarHBondContact O-NH2 3.42Å | ||
| 60 | T | 56.4 | Low | 58.2 | Low | 50 Ų | 50 | 114 Ų | 114 | 31% | 0.307 | 56% | 0.559 | S | S | . | * | trans | -112.8 | 65.6 | 174.9 | 48 | 0 | 0 | 0 | 0 | 109.9 | E58 V73 R76 | E58-T60 PolarHBondContact O-N 3.04Å; E58-T60 PolarHBondContact O-OG1 3.21Å; T60-V73 HydrophobicContact CG2-CG1 4.23Å; T60-R76 HydrophobicContact CG2-CG 4.28Å | ||
| 61 | K | 58.7 | Low | 58.1 | Low | 190 Ų | 190 | 112 Ų | 112 | 83% | 0.826 | 56% | 0.555 | S | S | * | * | trans | -108.1 | 51.2 | 176.7 | -66.2 | -175.9 | 170.3 | -173.8 | 0 | 111.4 | ||||
| 62 | S | 69.7 | Low | 58.2 | Low | 12 Ų | 12 | 115.2 Ų | 115.2 | 8% | 0.084 | 57% | 0.574 | C | S | . | * | trans | -87.4 | 134 | 169.3 | 164.4 | 0 | 0 | 0 | 0 | 108.2 | F64 T65 E66 D84 | S62-F64 PolarHBondContact O-N 3.45Å; S62-T65 PolarHBondContact O-N 3.02Å; S62-E66 PolarHBondContact O-N 3.49Å; S62-D84 WeakPolarHBondContact CB-OD1 3.41Å; S62-D84 PolarHBondContact OG-OD1 3.33Å | ||
| 63 | R | 65 | Low | 58.5 | Low | 85 Ų | 85 | 113.8 Ų | 113.8 | 32% | 0.321 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -54.5 | -25.9 | -178.1 | -64.2 | 176.9 | 72 | 117.7 | -8.4 | 113.1 | T65 Y67 E88 D95 | R63-T65 VanDerWaalsContact C-N 3.32Å; R63-T65 PolarHBondContact O-N 3.18Å; R63-Y67 VanDerWaalsContact O-CD2 3.24Å; R63-Y67 WeakPolarHBondContact O-CD2 3.32Å; R63-E88 WeakPolarHBondContact CD-OE1 3.49Å; R63-D95 IonicContact CZ-OD1 3.9Å; R63-D95 VanDerWaalsContact CZ-OD1 3.3Å; R63-D95 IonicContact NH1-OD1 3.51Å; R63-D95 PolarHBondContact NH1-OD1 2.78Å; R63-D95 IonicContact NH2-OD1 2.67Å |
| 64 | F | 65.6 | Low | 59 | Low | 145 Ų | 145 | 114.3 Ų | 114.3 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.1 | -31.6 | 176.2 | -175.9 | -102.6 | 0 | 0 | 0 | 113.4 | S62 | S62-F64 PolarHBondContact O-N 3.45Å |
| 65 | T | 65.4 | Low | 59.5 | Low | 32 Ų | 32 | 117.7 Ų | 117.7 | 20% | 0.196 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -92.2 | -21.3 | -175.7 | -42.5 | 0 | 0 | 0 | 0 | 112 | S62 R63 Y67 S68 V73 | S62-T65 PolarHBondContact O-N 3.02Å; R63-T65 VanDerWaalsContact C-N 3.32Å; R63-T65 PolarHBondContact O-N 3.18Å; T65-Y67 VanDerWaalsContact C-N 3.3Å; T65-Y67 PolarHBondContact O-N 2.96Å; T65-S68 PolarHBondContact O-N 2.77Å; T65-V73 HydrophobicContact CG2-CB 4.4Å; T65-V73 HydrophobicContact CG2-CG1 4.17Å; T65-V73 HydrophobicContact CG2-CG2 3.67Å |
| 66 | E | 62.8 | Low | 60.3 | Low | 148 Ų | 148 | 117.6 Ų | 117.6 | 69% | 0.692 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.7 | -25.2 | -177.5 | -169.5 | 166.6 | -170.3 | 0 | 0 | 113.7 | S62 | S62-E66 PolarHBondContact O-N 3.49Å |
| 67 | Y | 59.3 | Low | 61.5 | Low | 179 Ų | 179 | 110.2 Ų | 110.2 | 70% | 0.702 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -3.4 | 178.3 | -65 | -71.4 | 0 | 0 | 0 | 114.7 | R63 T65 M69 | R63-Y67 VanDerWaalsContact O-CD2 3.24Å; R63-Y67 WeakPolarHBondContact O-CD2 3.32Å; T65-Y67 VanDerWaalsContact C-N 3.3Å; T65-Y67 PolarHBondContact O-N 2.96Å; Y67-M69 PolarHBondContact O-N 3.01Å; Y67-M69 VanDerWaalsContact O-N 3.07Å |
| 68 | S | 55 | Low | 62.8 | Low | 53 Ų | 53 | 113.1 Ų | 113.1 | 37% | 0.371 | 56% | 0.558 | S | S | . | * | trans | -80.5 | 88.7 | 175.5 | -88.3 | 0 | 0 | 0 | 0 | 110.9 | T65 T70 S71 | T65-S68 PolarHBondContact O-N 2.77Å; S68-T70 PolarHBondContact O-N 2.73Å; S68-S71 WeakPolarHBondContact CB-OG 3.25Å; S68-S71 WeakPolarHBondContact OG-CB 3.37Å; S68-S71 PolarHBondContact OG-OG 2.71Å | ||
| 69 | M | 56 | Low | 64.1 | Low | 189 Ų | 189 | 114.8 Ų | 114.8 | 93% | 0.931 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -66.2 | -15.1 | 176.9 | -67.9 | -169.8 | 171 | 0 | 0 | 114 | Y67 | Y67-M69 PolarHBondContact O-N 3.01Å; Y67-M69 VanDerWaalsContact O-N 3.07Å |
| 70 | T | 53 | Low | 65.1 | Low | 141 Ų | 141 | 111 Ų | 111 | 87% | 0.865 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -137 | -2.9 | -179.5 | 58.1 | 0 | 0 | 0 | 0 | 115.4 | S68 | S68-T70 PolarHBondContact O-N 2.73Š|
| 71 | S | 53.3 | Low | 66.3 | Low | 64 Ų | 64 | 110.2 Ų | 110.2 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -90.6 | 121.7 | -179.2 | 98.9 | 0 | 0 | 0 | 0 | 110.6 | S68 V73 | S68-S71 WeakPolarHBondContact CB-OG 3.25Å; S68-S71 WeakPolarHBondContact OG-CB 3.37Å; S68-S71 PolarHBondContact OG-OG 2.71Å; S71-V73 PolarHBondContact O-N 3.46Å |
| 72 | S | 56.1 | Low | 67.5 | Low | 112 Ų | 112 | 105.2 Ų | 105.2 | 78% | 0.783 | 53% | 0.527 | S | S | * | . | trans | -62.2 | 124.2 | 177.8 | -76.6 | 0 | 0 | 0 | 0 | 110.6 | M74 | S72-M74 PolarHBondContact O-N 3.11Å; S72-M74 VanDerWaalsContact O-N 3.1Å | ||
| 73 | V | 62.9 | Low | 68.1 | Low | 85 Ų | 85 | 108.8 Ų | 108.8 | 52% | 0.515 | 54% | 0.542 | S | S | . | . | trans | -61.4 | 110.9 | 174.1 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | T60 T65 S71 | T60-V73 HydrophobicContact CG2-CG1 4.23Å; T65-V73 HydrophobicContact CG2-CB 4.4Å; T65-V73 HydrophobicContact CG2-CG1 4.17Å; T65-V73 HydrophobicContact CG2-CG2 3.67Å; S71-V73 PolarHBondContact O-N 3.46Å | ||
| 74 | M | 67.1 | Low | 68.8 | Low | 150 Ų | 150 | 105.7 Ų | 105.7 | 74% | 0.739 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 150.6 | 173.3 | -69 | -171 | -68.2 | 0 | 0 | 110.5 | S72 R76 | S72-M74 PolarHBondContact O-N 3.11Å; S72-M74 VanDerWaalsContact O-N 3.1Å; M74-R76 PolarHBondContact O-N 2.99Å |
| 75 | R | 69.6 | Low | 69.7 | Low | 150 Ų | 150 | 104.3 Ų | 104.3 | 57% | 0.566 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 126.8 | 170.7 | -71.6 | -161.4 | 177.5 | 80 | 5.5 | 110.1 | E58 N77 | E58-R75 IonicContact OE2-NE 2.86Å; R75-N77 PolarHBondContact O-N 3.29Å |
| 76 | R | 71 | Confident | 70.7 | Confident | 90 Ų | 90 | 108.9 Ų | 108.9 | 34% | 0.34 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 122.7 | -179 | -64.9 | -171.2 | -79 | 104.9 | -8.8 | 110.2 | E59 T60 M74 L80 T81 D84 | E59-R76 PolarHBondContact O-NH2 3.42Å; T60-R76 HydrophobicContact CG2-CG 4.28Å; M74-R76 PolarHBondContact O-N 2.99Å; R76-L80 HydrophobicContact CB-CB 4.48Å; R76-T81 PolarHBondContact NH1-OG1 3.35Å; R76-D84 WeakPolarHBondContact CD-OD2 3.43Å; R76-D84 IonicContact NE-OD2 3.9Å |
| 77 | N | 77.1 | Confident | 71.6 | Confident | 75 Ų | 75 | 105.7 Ų | 105.7 | 40% | 0.401 | 53% | 0.525 | S | S | . | . | trans | -79.7 | 174.8 | 165 | 88.3 | -29.9 | 0 | 0 | 0 | 109.9 | R75 Q79 L80 T81 | R75-N77 PolarHBondContact O-N 3.29Å; N77-Q79 VanDerWaalsContact C-N 3.28Å; N77-Q79 PolarHBondContact O-N 3.04Å; N77-Q79 PolarHBondContact OD1-N 3.16Å; N77-Q79 VanDerWaalsContact OD1-N 3.14Å; N77-L80 PolarHBondContact O-N 3.48Å; N77-L80 WeakPolarHBondContact OD1-CB 3.08Å; N77-L80 VanDerWaalsContact OD1-CG 3.27Å; N77-L80 WeakPolarHBondContact OD1-CG 3.39Å; N77-L80 PolarHBondContact OD1-N 3.27Å; N77-T81 WeakPolarHBondContact O-CB 3.44Å; N77-T81 PolarHBondContact O-N 3.32Å; N77-T81 PolarHBondContact O-OG1 3.08Å | ||
| 78 | E | 81.9 | Confident | 72.7 | Confident | 170 Ų | 170 | 100 Ų | 100 | 79% | 0.794 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.9 | -39.6 | 178.4 | -67.3 | -179.5 | 170.5 | 0 | 0 | 112.6 | L82 | E78-L82 WeakPolarHBondContact O-CB 3.49Å; E78-L82 VanDerWaalsContact O-CG 3.27Å; E78-L82 WeakPolarHBondContact O-CG 3.45Å; E78-L82 PolarHBondContact O-N 3.3Å |
| 79 | Q | 84.1 | Confident | 74.1 | Confident | 133 Ų | 133 | 104.6 Ų | 104.6 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.5 | -43.6 | 179.9 | -64.3 | -178.4 | -70.2 | 0 | 0 | 112.3 | N77 L82 H83 | N77-Q79 VanDerWaalsContact C-N 3.28Å; N77-Q79 PolarHBondContact O-N 3.04Å; N77-Q79 PolarHBondContact OD1-N 3.16Å; N77-Q79 VanDerWaalsContact OD1-N 3.14Å; Q79-L82 WeakPolarHBondContact O-CB 3.22Å; Q79-L82 PolarHBondContact O-N 2.59Å; Q79-H83 PolarHBondContact O-CD2 3.39Å; Q79-H83 PolarHBondContact O-N 2.86Å |
| 80 | L | 77.8 | Confident | 75.3 | Confident | 79 Ų | 79 | 100.5 Ų | 100.5 | 41% | 0.414 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 177.2 | -69.7 | 174.2 | 0 | 0 | 0 | 110.9 | R76 N77 L82 H83 D84 | R76-L80 HydrophobicContact CB-CB 4.48Å; N77-L80 PolarHBondContact O-N 3.48Å; N77-L80 WeakPolarHBondContact OD1-CB 3.08Å; N77-L80 VanDerWaalsContact OD1-CG 3.27Å; N77-L80 WeakPolarHBondContact OD1-CG 3.39Å; N77-L80 PolarHBondContact OD1-N 3.27Å; L80-L82 VanDerWaalsContact C-N 3.33Å; L80-L82 PolarHBondContact O-N 2.96Å; L80-H83 WeakPolarHBondContact O-CA 3.43Å; L80-H83 WeakPolarHBondContact O-CB 3.42Å; L80-H83 PolarHBondContact O-N 3.45Å; L80-D84 PolarHBondContact O-N 3.14Å; L80-D84 VanDerWaalsContact O-OD2 3.12Å |
| 81 | T | 80.4 | Confident | 76.3 | Confident | 33 Ų | 33 | 98.8 Ų | 98.8 | 20% | 0.202 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 171.1 | -58 | 0 | 0 | 0 | 0 | 111.6 | R76 N77 H83 D84 E85 | R76-T81 PolarHBondContact NH1-OG1 3.35Å; N77-T81 WeakPolarHBondContact O-CB 3.44Å; N77-T81 PolarHBondContact O-N 3.32Å; N77-T81 PolarHBondContact O-OG1 3.08Å; T81-H83 VanDerWaalsContact C-N 3.26Å; T81-H83 PolarHBondContact O-N 3.17Å; T81-D84 PolarHBondContact O-N 3.11Å; T81-E85 WeakPolarHBondContact O-CG 3.24Å; T81-E85 PolarHBondContact O-N 3.08Å |
| 82 | L | 84.3 | Confident | 77.5 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 45% | 0.445 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -32.9 | 174.4 | -74.7 | 169.7 | 0 | 0 | 0 | 112.5 | E78 Q79 L80 R86 | E78-L82 WeakPolarHBondContact O-CB 3.49Å; E78-L82 VanDerWaalsContact O-CG 3.27Å; E78-L82 WeakPolarHBondContact O-CG 3.45Å; E78-L82 PolarHBondContact O-N 3.3Å; Q79-L82 WeakPolarHBondContact O-CB 3.22Å; Q79-L82 PolarHBondContact O-N 2.59Å; L80-L82 VanDerWaalsContact C-N 3.33Å; L80-L82 PolarHBondContact O-N 2.96Å; L82-R86 VanDerWaalsContact C-NH1 3.26Å; L82-R86 WeakPolarHBondContact O-CB 3.5Å; L82-R86 VanDerWaalsContact O-CG 3.24Å; L82-R86 WeakPolarHBondContact O-CG 3.04Å; L82-R86 PolarHBondContact O-N 2.61Å; L82-R86 PolarHBondContact O-NH1 2.97Å |
| 83 | H | 82.8 | Confident | 78.2 | Confident | 86 Ų | 86 | 102.2 Ų | 102.2 | 40% | 0.398 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.6 | -49.8 | 173.2 | -84.3 | -84.8 | 0 | 0 | 0 | 110.3 | Q79 L80 T81 E85 R86 F87 | Q79-H83 PolarHBondContact O-CD2 3.39Å; Q79-H83 PolarHBondContact O-N 2.86Å; L80-H83 WeakPolarHBondContact O-CA 3.43Å; L80-H83 WeakPolarHBondContact O-CB 3.42Å; L80-H83 PolarHBondContact O-N 3.45Å; T81-H83 VanDerWaalsContact C-N 3.26Å; T81-H83 PolarHBondContact O-N 3.17Å; H83-E85 PolarHBondContact O-N 3.1Å; H83-R86 PolarHBondContact CD2-NH2 2.93Å; H83-R86 PolarHBondContact CE1-NH2 2.9Å; H83-R86 PolarHBondContact ND1-NH2 3.17Å; H83-R86 PolarHBondContact NE2-NH2 2.67Å; H83-R86 PolarHBondContact O-N 2.76Å; H83-F87 HydrophobicContact CB-CD2 4.39Å; H83-F87 HydrophobicContact CB-CE2 4.32Å; H83-F87 WeakPolarHBondContact O-CD2 3.2Å; H83-F87 PolarHBondContact O-N 3.33Å |
| 84 | D | 79.7 | Confident | 78.7 | Confident | 20 Ų | 20 | 104.5 Ų | 104.5 | 11% | 0.107 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -55.8 | -48 | 178 | -70.7 | -48.2 | 0 | 0 | 0 | 112 | S62 R76 L80 T81 R86 F87 E88 | S62-D84 WeakPolarHBondContact CB-OD1 3.41Å; S62-D84 PolarHBondContact OG-OD1 3.33Å; R76-D84 WeakPolarHBondContact CD-OD2 3.43Å; R76-D84 IonicContact NE-OD2 3.9Å; L80-D84 PolarHBondContact O-N 3.14Å; L80-D84 VanDerWaalsContact O-OD2 3.12Å; T81-D84 PolarHBondContact O-N 3.11Å; D84-R86 VanDerWaalsContact C-N 3.32Å; D84-R86 PolarHBondContact O-N 3.1Å; D84-F87 PolarHBondContact O-N 2.84Å; D84-E88 PolarHBondContact O-N 3.04Å |
| 85 | E | 82.9 | Confident | 78.7 | Confident | 117 Ų | 117 | 100.3 Ų | 100.3 | 55% | 0.547 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.9 | -38 | 177.8 | -71.7 | 171.7 | -172.7 | 0 | 0 | 113.2 | T81 H83 K89 | T81-E85 WeakPolarHBondContact O-CG 3.24Å; T81-E85 PolarHBondContact O-N 3.08Å; H83-E85 PolarHBondContact O-N 3.1Å; E85-K89 PolarHBondContact O-N 3.37Å |
| 86 | R | 87.7 | Confident | 78.4 | Confident | 127 Ų | 127 | 98.8 Ų | 98.8 | 48% | 0.479 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -72 | -36.2 | 177.8 | -73.3 | -170.9 | -46.5 | -92.6 | 7.8 | 112 | L82 H83 D84 F90 | L82-R86 VanDerWaalsContact C-NH1 3.26Å; L82-R86 WeakPolarHBondContact O-CB 3.5Å; L82-R86 VanDerWaalsContact O-CG 3.24Å; L82-R86 WeakPolarHBondContact O-CG 3.04Å; L82-R86 PolarHBondContact O-N 2.61Å; L82-R86 PolarHBondContact O-NH1 2.97Å; H83-R86 PolarHBondContact CD2-NH2 2.93Å; H83-R86 PolarHBondContact CE1-NH2 2.9Å; H83-R86 PolarHBondContact ND1-NH2 3.17Å; H83-R86 PolarHBondContact NE2-NH2 2.67Å; H83-R86 PolarHBondContact O-N 2.76Å; D84-R86 VanDerWaalsContact C-N 3.32Å; D84-R86 PolarHBondContact O-N 3.1Å; R86-F90 WeakPolarHBondContact O-CB 3.45Å; R86-F90 PolarHBondContact O-N 2.89Å |
| 87 | F | 81.8 | Confident | 77.8 | Confident | 82 Ų | 82 | 102.5 Ų | 102.5 | 36% | 0.36 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.7 | -44.4 | 175.9 | -78.9 | -66.1 | 0 | 0 | 0 | 110.9 | H83 D84 K89 F90 Y91 | H83-F87 HydrophobicContact CB-CD2 4.39Å; H83-F87 HydrophobicContact CB-CE2 4.32Å; H83-F87 WeakPolarHBondContact O-CD2 3.2Å; H83-F87 PolarHBondContact O-N 3.33Å; D84-F87 PolarHBondContact O-N 2.84Å; F87-K89 PolarHBondContact O-N 3.27Å; F87-F90 WeakPolarHBondContact O-CB 3.3Å; F87-F90 PolarHBondContact O-N 3.43Å; F87-Y91 HydrophobicContact CB-CD2 4.29Å; F87-Y91 HydrophobicContact CB-CE2 4.46Å; F87-Y91 HydrophobicContact CD1-CD2 4.45Å; F87-Y91 AromaticContact CD1-CE2 3.89Å; F87-Y91 HydrophobicContact CD1-CE2 3.89Å; F87-Y91 WeakPolarHBondContact O-CD2 3.42Å; F87-Y91 PolarHBondContact O-N 3.13Å |
| 88 | E | 82.8 | Confident | 76.7 | Confident | 59 Ų | 59 | 106.8 Ų | 106.8 | 28% | 0.276 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.5 | -51.6 | 178.3 | -159.7 | 64.1 | -145.9 | 0 | 0 | 110.8 | R63 D84 F90 Y91 E92 | R63-E88 WeakPolarHBondContact CD-OE1 3.49Å; D84-E88 PolarHBondContact O-N 3.04Å; E88-F90 VanDerWaalsContact C-N 3.26Å; E88-F90 PolarHBondContact O-N 3.14Å; E88-Y91 CarbonylContact O-C 3.59Å; E88-Y91 PolarHBondContact O-N 3.07Å; E88-Y91 VanDerWaalsContact O-N 3.07Å; E88-E92 WeakPolarHBondContact O-CG 3.45Å; E88-E92 PolarHBondContact O-N 3.3Å |
| 89 | K | 83.3 | Confident | 75.8 | Confident | 149 Ų | 149 | 104.6 Ų | 104.6 | 65% | 0.648 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.3 | -30.8 | 177 | -173.8 | 175 | -179.9 | 178.5 | 0 | 114.4 | E85 F87 | E85-K89 PolarHBondContact O-N 3.37Å; F87-K89 PolarHBondContact O-N 3.27Å |
| 90 | F | 81.1 | Confident | 74.8 | Confident | 103 Ų | 103 | 100.6 Ų | 100.6 | 45% | 0.452 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74 | -39.9 | 176 | 178 | -97.6 | 0 | 0 | 0 | 111 | R86 F87 E88 Y94 | R86-F90 WeakPolarHBondContact O-CB 3.45Å; R86-F90 PolarHBondContact O-N 2.89Å; F87-F90 WeakPolarHBondContact O-CB 3.3Å; F87-F90 PolarHBondContact O-N 3.43Å; E88-F90 VanDerWaalsContact C-N 3.26Å; E88-F90 PolarHBondContact O-N 3.14Å; F90-Y94 HydrophobicContact CD1-CE2 4.35Å; F90-Y94 AromaticContact CE1-CE2 3.8Å; F90-Y94 HydrophobicContact CE1-CE2 3.8Å; F90-Y94 AromaticContact CZ-CE2 3.97Å; F90-Y94 HydrophobicContact CZ-CE2 3.97Å |
| 91 | Y | 74.9 | Confident | 74 | Confident | 106 Ų | 106 | 101.3 Ų | 101.3 | 42% | 0.416 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -81.2 | -17.7 | -178 | -77 | -70.7 | 0 | 0 | 0 | 114.3 | F87 E88 Q93 Y94 D95 | F87-Y91 HydrophobicContact CB-CD2 4.29Å; F87-Y91 HydrophobicContact CB-CE2 4.46Å; F87-Y91 HydrophobicContact CD1-CD2 4.45Å; F87-Y91 AromaticContact CD1-CE2 3.89Å; F87-Y91 HydrophobicContact CD1-CE2 3.89Å; F87-Y91 WeakPolarHBondContact O-CD2 3.42Å; F87-Y91 PolarHBondContact O-N 3.13Å; E88-Y91 CarbonylContact O-C 3.59Å; E88-Y91 PolarHBondContact O-N 3.07Å; E88-Y91 VanDerWaalsContact O-N 3.07Å; Y91-Q93 PolarHBondContact O-N 2.88Å; Y91-Q93 VanDerWaalsContact O-N 3.13Å; Y91-Y94 HydrophobicContact CD1-CD2 4.17Å; Y91-Y94 CarbonylContact O-C 3.54Å; Y91-Y94 WeakPolarHBondContact O-CA 3.06Å; Y91-Y94 PolarHBondContact O-N 3.07Å; Y91-D95 PolarHBondContact O-N 3.21Å |
| 92 | E | 77.4 | Confident | 73.1 | Confident | 115 Ų | 115 | 106.9 Ų | 106.9 | 54% | 0.537 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -50.8 | -32.9 | 168.4 | -80.1 | 169.9 | -167 | 0 | 0 | 112.6 | E88 Y94 D95 | E88-E92 WeakPolarHBondContact O-CG 3.45Å; E88-E92 PolarHBondContact O-N 3.3Å; E92-Y94 PolarHBondContact O-N 3.34Å; E92-D95 PolarHBondContact O-N 3.46Å |
| 93 | Q | 72 | Confident | 72 | Confident | 133 Ų | 133 | 109.3 Ų | 109.3 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -71.4 | -10.8 | 177 | -71.1 | 168.6 | 82.5 | 0 | 0 | 113.8 | Y91 | Y91-Q93 PolarHBondContact O-N 2.88Å; Y91-Q93 VanDerWaalsContact O-N 3.13Å |
| 94 | Y | 72.3 | Confident | 70.9 | Confident | 133 Ų | 133 | 111.2 Ų | 111.2 | 52% | 0.522 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -116.7 | 8.3 | -179.3 | -59.5 | -83.7 | 0 | 0 | 0 | 111.7 | F90 Y91 E92 D96 | F90-Y94 HydrophobicContact CD1-CE2 4.35Å; F90-Y94 AromaticContact CE1-CE2 3.8Å; F90-Y94 HydrophobicContact CE1-CE2 3.8Å; F90-Y94 AromaticContact CZ-CE2 3.97Å; F90-Y94 HydrophobicContact CZ-CE2 3.97Å; Y91-Y94 HydrophobicContact CD1-CD2 4.17Å; Y91-Y94 CarbonylContact O-C 3.54Å; Y91-Y94 WeakPolarHBondContact O-CA 3.06Å; Y91-Y94 PolarHBondContact O-N 3.07Å; E92-Y94 PolarHBondContact O-N 3.34Å; Y94-D96 VanDerWaalsContact C-N 3.26Å; Y94-D96 PolarHBondContact O-N 2.91Å |
| 95 | D | 68.3 | Low | 70.2 | Confident | 61 Ų | 61 | 113 Ų | 113 | 33% | 0.326 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -70.2 | 89.9 | 169.6 | -79.1 | -26.7 | 0 | 0 | 0 | 107.8 | R63 Y91 E92 D97 | R63-D95 IonicContact CZ-OD1 3.9Å; R63-D95 VanDerWaalsContact CZ-OD1 3.3Å; R63-D95 IonicContact NH1-OD1 3.51Å; R63-D95 PolarHBondContact NH1-OD1 2.78Å; R63-D95 IonicContact NH2-OD1 2.67Å; Y91-D95 PolarHBondContact O-N 3.21Å; E92-D95 PolarHBondContact O-N 3.46Å; D95-D97 PolarHBondContact O-N 3.46Å |
| 96 | D | 62.1 | Low | 69.2 | Low | 119 Ų | 119 | 116.3 Ų | 116.3 | 64% | 0.636 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | 4 | -13.7 | 169.3 | -69 | -31.6 | 0 | 0 | 0 | 122.7 | Y94 E98 I99 | Y94-D96 VanDerWaalsContact C-N 3.26Å; Y94-D96 PolarHBondContact O-N 2.91Å; D96-E98 VanDerWaalsContact C-N 3.3Å; D96-I99 WeakPolarHBondContact OD1-CD1 3.37Å |
| 97 | D | 58.1 | Low | 68.1 | Low | 168 Ų | 168 | 118.5 Ų | 118.5 | 90% | 0.898 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -77.9 | -16.5 | 175.5 | -60 | -12.6 | 0 | 0 | 0 | 112.6 | D95 | D95-D97 PolarHBondContact O-N 3.46Š|
| 98 | E | 55.6 | Low | 67.5 | Low | 165 Ų | 165 | 123.3 Ų | 123.3 | 77% | 0.771 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -130.7 | 26.2 | -178 | -139.5 | 176 | -142.9 | 0 | 0 | 112.8 | D96 G100 | D96-E98 VanDerWaalsContact C-N 3.3Å; E98-G100 PolarHBondContact O-N 3.39Å |
| 99 | I | 62 | Low | 66.9 | Low | 123 Ų | 123 | 124 Ų | 124 | 63% | 0.631 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -66.9 | 84.1 | 149.4 | -59.7 | -177 | 0 | 0 | 0 | 104.4 | D96 A101 | D96-I99 WeakPolarHBondContact OD1-CD1 3.37Å; I99-A101 PolarHBondContact O-N 3.25Å |
| 100 | G | 62.5 | Low | 66.5 | Low | 50 Ų | 50 | 122.2 Ų | 122.2 | 52% | 0.515 | 66% | 0.664 | S | S | . | * | trans | -43.9 | 136.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | E98 L102 | E98-G100 PolarHBondContact O-N 3.39Å; G100-L102 PolarHBondContact O-N 3.22Å | ||
| 101 | A | 60.8 | Low | 66.5 | Low | 93 Ų | 93 | 121.5 Ų | 121.5 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | trans | -41.8 | 125.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | I99 D103 | I99-A101 PolarHBondContact O-N 3.25Å; A101-D103 PolarHBondContact O-N 3.21Å | ||
| 102 | L | 61.6 | Low | 66.8 | Low | 150 Ų | 150 | 123 Ų | 123 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | trans | -62.3 | 72.7 | 163.7 | -72.9 | 166 | 0 | 0 | 0 | 105 | G100 N104 | G100-L102 PolarHBondContact O-N 3.22Å; L102-N104 PolarHBondContact O-N 2.88Å; L102-N104 PolarHBondContact O-ND2 3.06Å | ||
| 103 | D | 62.5 | Low | 67.1 | Low | 136 Ų | 136 | 123.7 Ų | 123.7 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -66.9 | 83.4 | 161.5 | -171.4 | 15.1 | 0 | 0 | 0 | 101.6 | A101 A105 | A101-D103 PolarHBondContact O-N 3.21Å; D103-A105 PolarHBondContact O-N 2.87Å | ||
| 104 | N | 59.9 | Low | 67.7 | Low | 127 Ų | 127 | 122.9 Ų | 122.9 | 68% | 0.679 | 69% | 0.686 | S | S | * | * | trans | -64.5 | 66 | 159.7 | -61.8 | -78.8 | 0 | 0 | 0 | 104.4 | L102 E106 | L102-N104 PolarHBondContact O-N 2.88Å; L102-N104 PolarHBondContact O-ND2 3.06Å; N104-E106 VanDerWaalsContact C-N 3.32Å; N104-E106 PolarHBondContact O-N 2.88Å | ||
| 105 | A | 63.4 | Low | 68.6 | Low | 57 Ų | 57 | 118.1 Ų | 118.1 | 47% | 0.471 | 67% | 0.672 | S | S | . | * | trans | -51.9 | 111.4 | 167 | 0 | 0 | 0 | 0 | 0 | 102.8 | D103 L107 | D103-A105 PolarHBondContact O-N 2.87Å; A105-L107 PolarHBondContact O-N 3.43Å | ||
| 106 | E | 63.3 | Low | 69.6 | Low | 186 Ų | 186 | 121.5 Ų | 121.5 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | -54.8 | 101.1 | 176.4 | -73.2 | 169.9 | 171.3 | 0 | 0 | 104.7 | N104 E108 | N104-E106 VanDerWaalsContact C-N 3.32Å; N104-E106 PolarHBondContact O-N 2.88Å; E106-E108 PolarHBondContact O-N 3Å | ||
| 107 | L | 63.2 | Low | 70.9 | Confident | 174 Ų | 174 | 123 Ų | 123 | 91% | 0.911 | 69% | 0.687 | S | S | * | * | trans | -71.7 | 74 | 178.5 | -78.8 | 167.5 | 0 | 0 | 0 | 106.1 | A105 G109 | A105-L107 PolarHBondContact O-N 3.43Å; L107-G109 PolarHBondContact O-N 2.95Å | ||
| 108 | E | 69.6 | Low | 72.3 | Confident | 182 Ų | 182 | 117.9 Ų | 117.9 | 85% | 0.85 | 66% | 0.659 | S | S | * | * | trans | -73.2 | 97.1 | 173.5 | -170.6 | 167.9 | -150.9 | 0 | 0 | 107.5 | E106 S110 | E106-E108 PolarHBondContact O-N 3Å; E108-S110 PolarHBondContact O-N 3.21Å | ||
| 109 | G | 70.6 | Confident | 74 | Confident | 74 Ų | 74 | 115.4 Ų | 115.4 | 76% | 0.763 | 65% | 0.648 | S | S | * | * | trans | -77.5 | 96.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L107 I111 | L107-G109 PolarHBondContact O-N 2.95Å; G109-I111 PolarHBondContact O-N 3.29Å | ||
| 110 | S | 75 | Confident | 75.4 | Confident | 112 Ų | 112 | 114.4 Ų | 114.4 | 78% | 0.783 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 120.6 | 166.3 | 68.5 | 0 | 0 | 0 | 0 | 109.7 | E108 | E108-S110 PolarHBondContact O-N 3.21Š|
| 111 | I | 80.9 | Confident | 76.7 | Confident | 87 Ų | 87 | 115.7 Ų | 115.7 | 45% | 0.446 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -90 | 130.2 | 166.8 | -169.9 | 163.4 | 0 | 0 | 0 | 109.3 | G109 R117 L118 | G109-I111 PolarHBondContact O-N 3.29Å; I111-R117 HydrophobicContact CD1-CB 4.09Å; I111-R117 HydrophobicContact CD1-CG 4.2Å; I111-L118 HydrophobicContact CD1-CB 3.89Å; I111-L118 HydrophobicContact CG1-CB 4.39Å |
| 112 | Q | 82.4 | Confident | 78.2 | Confident | 137 Ų | 137 | 115.4 Ų | 115.4 | 64% | 0.64 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 141.3 | 173.6 | -68.9 | -178.9 | -14.9 | 0 | 0 | 110.3 | D114 S115 | Q112-D114 WeakPolarHBondContact CB-OD1 3.24Å; Q112-D114 PolarHBondContact O-N 3.18Å; Q112-S115 WeakPolarHBondContact O-CB 2.85Å; Q112-S115 PolarHBondContact O-N 3.23Å |
| 113 | V | 83.4 | Confident | 79.7 | Confident | 130 Ų | 130 | 113.2 Ų | 113.2 | 79% | 0.788 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -26.4 | -175.7 | -177.4 | 0 | 0 | 0 | 0 | 112 | ||
| 114 | D | 85 | Confident | 81.1 | Confident | 116 Ų | 116 | 111.2 Ų | 111.2 | 62% | 0.62 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 7.6 | 175.7 | 57.1 | -27.7 | 0 | 0 | 0 | 113.7 | Q112 N116 | Q112-D114 WeakPolarHBondContact CB-OD1 3.24Å; Q112-D114 PolarHBondContact O-N 3.18Å; D114-N116 PolarHBondContact O-N 3.02Å |
| 115 | S | 89.6 | Confident | 82.6 | Confident | 33 Ų | 33 | 111.2 Ų | 111.2 | 23% | 0.231 | 59% | 0.593 | C | S | . | * | trans | -62.9 | 132.5 | 177.2 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | Q112 R117 L118 Q119 | Q112-S115 WeakPolarHBondContact O-CB 2.85Å; Q112-S115 PolarHBondContact O-N 3.23Å; S115-R117 PolarHBondContact O-N 3.17Å; S115-R117 PolarHBondContact OG-N 3.07Å; S115-L118 PolarHBondContact O-N 3.24Å; S115-Q119 PolarHBondContact O-N 2.67Å | ||
| 116 | N | 90.3 | Very high | 84 | Confident | 132 Ų | 132 | 115 Ų | 115 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -53.8 | -35.9 | 173.4 | -66.9 | -35.9 | 0 | 0 | 0 | 112.1 | D114 L118 Q119 E120 | D114-N116 PolarHBondContact O-N 3.02Å; N116-L118 VanDerWaalsContact C-N 3.35Å; N116-L118 PolarHBondContact O-N 3.39Å; N116-Q119 PolarHBondContact O-N 3.42Å; N116-E120 PolarHBondContact O-N 3.35Å; N116-E120 VanDerWaalsContact O-N 3.08Å |
| 117 | R | 88.3 | Confident | 85.4 | Confident | 150 Ų | 150 | 111.8 Ų | 111.8 | 57% | 0.566 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.1 | -36.6 | 179.1 | 179.7 | 57.3 | 173.6 | 178.3 | -1 | 112.1 | I111 S115 E120 V121 | I111-R117 HydrophobicContact CD1-CB 4.09Å; I111-R117 HydrophobicContact CD1-CG 4.2Å; S115-R117 PolarHBondContact O-N 3.17Å; S115-R117 PolarHBondContact OG-N 3.07Å; R117-E120 IonicContact CZ-OE2 3.55Å; R117-E120 IonicContact NH1-OE2 3.3Å; R117-E120 PolarHBondContact NH1-OE2 2.88Å; R117-V121 WeakPolarHBondContact O-CG2 3.5Å; R117-V121 PolarHBondContact O-N 3.22Å |
| 118 | L | 89.3 | Confident | 86.5 | Confident | 61 Ų | 61 | 109.7 Ų | 109.7 | 32% | 0.319 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.5 | -38.8 | 176.7 | -176.2 | 60.6 | 0 | 0 | 0 | 111.1 | I111 S115 N116 V121 L122 | I111-L118 HydrophobicContact CD1-CB 3.89Å; I111-L118 HydrophobicContact CG1-CB 4.39Å; S115-L118 PolarHBondContact O-N 3.24Å; N116-L118 VanDerWaalsContact C-N 3.35Å; N116-L118 PolarHBondContact O-N 3.39Å; L118-V121 PolarHBondContact O-N 2.85Å; L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 PolarHBondContact O-N 3.11Å |
| 119 | Q | 89.6 | Confident | 87.3 | Confident | 114 Ų | 114 | 105 Ų | 105 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 178 | -66.1 | -175.1 | 4.4 | 0 | 0 | 112.9 | S115 N116 L122 N123 | S115-Q119 PolarHBondContact O-N 2.67Å; N116-Q119 PolarHBondContact O-N 3.42Å; Q119-L122 PolarHBondContact O-N 3.04Å; Q119-N123 PolarHBondContact O-N 3.1Å |
| 120 | E | 91.3 | Very high | 88 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.9 | -53.7 | 175.2 | -175.9 | -175.2 | -160.2 | 0 | 0 | 111.1 | N116 R117 L122 N123 D124 | N116-E120 PolarHBondContact O-N 3.35Å; N116-E120 VanDerWaalsContact O-N 3.08Å; R117-E120 IonicContact CZ-OE2 3.55Å; R117-E120 IonicContact NH1-OE2 3.3Å; R117-E120 PolarHBondContact NH1-OE2 2.88Å; E120-L122 VanDerWaalsContact C-N 3.26Å; E120-L122 PolarHBondContact O-N 3.44Å; E120-N123 WeakPolarHBondContact O-CB 3.34Å; E120-N123 PolarHBondContact O-N 3.09Å; E120-N123 VanDerWaalsContact O-N 3.11Å; E120-D124 PolarHBondContact O-N 2.93Å |
| 121 | V | 91.3 | Very high | 88.3 | Confident | 77 Ų | 77 | 103.3 Ų | 103.3 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 178.6 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | R117 L118 D124 Y125 | R117-V121 WeakPolarHBondContact O-CG2 3.5Å; R117-V121 PolarHBondContact O-N 3.22Å; L118-V121 PolarHBondContact O-N 2.85Å; V121-D124 PolarHBondContact O-N 2.98Å; V121-Y125 PolarHBondContact O-N 2.91Å |
| 122 | L | 92 | Very high | 88.3 | Confident | 86 Ų | 86 | 106.7 Ų | 106.7 | 45% | 0.45 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 178.9 | -156.6 | 75.4 | 0 | 0 | 0 | 111.8 | L118 Q119 E120 Y125 Y126 | L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 PolarHBondContact O-N 3.11Å; Q119-L122 PolarHBondContact O-N 3.04Å; E120-L122 VanDerWaalsContact C-N 3.26Å; E120-L122 PolarHBondContact O-N 3.44Å; L122-Y125 PolarHBondContact O-N 2.72Å; L122-Y126 HydrophobicContact CD1-CE2 4.46Å; L122-Y126 HydrophobicContact CD2-CE2 3.91Å; L122-Y126 HydrophobicContact CG-CD2 4.24Å; L122-Y126 HydrophobicContact CG-CE2 3.68Å; L122-Y126 WeakPolarHBondContact O-CD2 3.46Å; L122-Y126 PolarHBondContact O-N 3.26Å; L122-Y126 VanDerWaalsContact O-N 3.12Å |
| 123 | N | 91.9 | Very high | 87.9 | Confident | 105 Ų | 105 | 108 Ų | 108 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.1 | -47.6 | 176.4 | -169.9 | -20.8 | 0 | 0 | 0 | 111.2 | Q119 E120 Y125 Y126 K127 | Q119-N123 PolarHBondContact O-N 3.1Å; E120-N123 WeakPolarHBondContact O-CB 3.34Å; E120-N123 PolarHBondContact O-N 3.09Å; E120-N123 VanDerWaalsContact O-N 3.11Å; N123-Y125 VanDerWaalsContact C-N 3.27Å; N123-Y125 PolarHBondContact O-N 3.36Å; N123-Y126 PolarHBondContact O-N 2.95Å; N123-Y126 VanDerWaalsContact O-N 3.09Å; N123-K127 PolarHBondContact O-N 2.93Å |
| 124 | D | 92.1 | Very high | 86.9 | Confident | 94 Ų | 94 | 107.8 Ų | 107.8 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.2 | -42.7 | 177 | -71.6 | -18 | 0 | 0 | 0 | 111.5 | E120 V121 Y126 K127 E128 | E120-D124 PolarHBondContact O-N 2.93Å; V121-D124 PolarHBondContact O-N 2.98Å; D124-Y126 PolarHBondContact O-N 3.26Å; D124-K127 WeakPolarHBondContact O-CB 3.43Å; D124-K127 PolarHBondContact O-N 3.09Å; D124-E128 PolarHBondContact O-N 2.99Å |
| 125 | Y | 93.1 | Very high | 86.1 | Confident | 127 Ų | 127 | 105.9 Ų | 105.9 | 50% | 0.498 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 174.9 | 176.3 | -97.6 | 0 | 0 | 0 | 112.8 | V121 L122 N123 K127 K129 | V121-Y125 PolarHBondContact O-N 2.91Å; L122-Y125 PolarHBondContact O-N 2.72Å; N123-Y125 VanDerWaalsContact C-N 3.27Å; N123-Y125 PolarHBondContact O-N 3.36Å; Y125-K127 VanDerWaalsContact C-N 3.3Å; Y125-K127 PolarHBondContact O-N 2.9Å; Y125-K129 HydrophobicContact CE1-CD 4.14Å; Y125-K129 VanDerWaalsContact O-CB 3.28Å; Y125-K129 WeakPolarHBondContact O-CB 3.42Å; Y125-K129 PolarHBondContact O-N 2.92Å |
| 126 | Y | 93 | Very high | 84.8 | Confident | 137 Ų | 137 | 106.2 Ų | 106.2 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 177.7 | -74.7 | -57.2 | 0 | 0 | 0 | 112.4 | L122 N123 D124 A130 | L122-Y126 HydrophobicContact CD1-CE2 4.46Å; L122-Y126 HydrophobicContact CD2-CE2 3.91Å; L122-Y126 HydrophobicContact CG-CD2 4.24Å; L122-Y126 HydrophobicContact CG-CE2 3.68Å; L122-Y126 WeakPolarHBondContact O-CD2 3.46Å; L122-Y126 PolarHBondContact O-N 3.26Å; L122-Y126 VanDerWaalsContact O-N 3.12Å; N123-Y126 PolarHBondContact O-N 2.95Å; N123-Y126 VanDerWaalsContact O-N 3.09Å; D124-Y126 PolarHBondContact O-N 3.26Å; Y126-A130 WeakPolarHBondContact O-CB 3.44Å; Y126-A130 PolarHBondContact O-N 3.23Å |
| 127 | K | 90.8 | Very high | 83.3 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -50.1 | 177.2 | -172.4 | -177.7 | 175.2 | -168.6 | 0 | 111.7 | N123 D124 Y125 K129 A130 E131 | N123-K127 PolarHBondContact O-N 2.93Å; D124-K127 WeakPolarHBondContact O-CB 3.43Å; D124-K127 PolarHBondContact O-N 3.09Å; Y125-K127 VanDerWaalsContact C-N 3.3Å; Y125-K127 PolarHBondContact O-N 2.9Å; K127-K129 VanDerWaalsContact C-N 3.29Å; K127-K129 PolarHBondContact O-N 3.48Å; K127-A130 PolarHBondContact O-N 3.34Å; K127-A130 VanDerWaalsContact O-N 3.16Å; K127-E131 VanDerWaalsContact CE-OE1 3.22Å; K127-E131 WeakPolarHBondContact CE-OE1 3.31Å; K127-E131 WeakPolarHBondContact O-CG 3.27Å; K127-E131 PolarHBondContact O-N 3.29Å |
| 128 | E | 87.8 | Confident | 81.9 | Confident | 129 Ų | 129 | 104.4 Ų | 104.4 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58 | -44.7 | 176 | -173.5 | -162.5 | 145.7 | 0 | 0 | 111 | D124 A130 E131 K132 | D124-E128 PolarHBondContact O-N 2.99Å; E128-A130 VanDerWaalsContact C-N 3.35Å; E128-A130 PolarHBondContact O-N 3.43Å; E128-E131 PolarHBondContact O-N 2.92Å; E128-K132 WeakPolarHBondContact O-CB 3.5Å; E128-K132 PolarHBondContact O-N 3.08Å |
| 129 | K | 86.4 | Confident | 80.4 | Confident | 85 Ų | 85 | 106.1 Ų | 106.1 | 37% | 0.37 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 177.5 | -173.1 | 167.7 | -179.2 | 176.2 | 0 | 110.4 | Y125 K127 E131 K132 W133 | Y125-K129 HydrophobicContact CE1-CD 4.14Å; Y125-K129 VanDerWaalsContact O-CB 3.28Å; Y125-K129 WeakPolarHBondContact O-CB 3.42Å; Y125-K129 PolarHBondContact O-N 2.92Å; K127-K129 VanDerWaalsContact C-N 3.29Å; K127-K129 PolarHBondContact O-N 3.48Å; K129-E131 PolarHBondContact O-N 3.5Å; K129-K132 PolarHBondContact O-N 3.38Å; K129-W133 PolarHBondContact O-N 3.3Å |
| 130 | A | 84.1 | Confident | 78.5 | Confident | 45 Ų | 45 | 110.9 Ų | 110.9 | 37% | 0.372 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.3 | -45 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y126 K127 E128 K132 W133 Q134 | Y126-A130 WeakPolarHBondContact O-CB 3.44Å; Y126-A130 PolarHBondContact O-N 3.23Å; K127-A130 PolarHBondContact O-N 3.34Å; K127-A130 VanDerWaalsContact O-N 3.16Å; E128-A130 VanDerWaalsContact C-N 3.35Å; E128-A130 PolarHBondContact O-N 3.43Å; A130-K132 VanDerWaalsContact C-N 3.32Å; A130-K132 PolarHBondContact O-N 3.29Å; A130-W133 PolarHBondContact O-N 3.5Å; A130-Q134 WeakPolarHBondContact O-CB 3.44Å; A130-Q134 VanDerWaalsContact O-CG 3.25Å; A130-Q134 WeakPolarHBondContact O-CG 3.47Å; A130-Q134 PolarHBondContact O-N 3.14Å |
| 131 | E | 82.3 | Confident | 77.9 | Confident | 105 Ų | 105 | 111.4 Ų | 111.4 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -40.2 | 176.9 | -70.5 | 172.8 | -176.3 | 0 | 0 | 111.4 | K127 E128 K129 Q134 S135 | K127-E131 VanDerWaalsContact CE-OE1 3.22Å; K127-E131 WeakPolarHBondContact CE-OE1 3.31Å; K127-E131 WeakPolarHBondContact O-CG 3.27Å; K127-E131 PolarHBondContact O-N 3.29Å; E128-E131 PolarHBondContact O-N 2.92Å; K129-E131 PolarHBondContact O-N 3.5Å; E131-Q134 PolarHBondContact O-N 2.77Å; E131-S135 VanDerWaalsContact O-CB 3.32Å; E131-S135 WeakPolarHBondContact O-CB 3.4Å; E131-S135 PolarHBondContact O-N 3.01Å |
| 132 | K | 79.9 | Confident | 77.1 | Confident | 157 Ų | 157 | 113.2 Ų | 113.2 | 68% | 0.683 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.9 | -43.2 | 175.4 | -171.4 | -176.5 | 178.2 | -174.7 | 0 | 112.8 | E128 K129 A130 Q134 S135 G136 | E128-K132 WeakPolarHBondContact O-CB 3.5Å; E128-K132 PolarHBondContact O-N 3.08Å; K129-K132 PolarHBondContact O-N 3.38Å; A130-K132 VanDerWaalsContact C-N 3.32Å; A130-K132 PolarHBondContact O-N 3.29Å; K132-Q134 VanDerWaalsContact C-N 3.33Å; K132-S135 PolarHBondContact O-N 3.3Å; K132-G136 PolarHBondContact O-N 3.25Å |
| 133 | W | 74.8 | Confident | 76.3 | Confident | 164 Ų | 164 | 114.7 Ų | 114.7 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.7 | -39.6 | 175.4 | -68.9 | 109.4 | 0 | 0 | 0 | 111.5 | K129 A130 G136 I137 | K129-W133 PolarHBondContact O-N 3.3Å; A130-W133 PolarHBondContact O-N 3.5Å; W133-G136 PolarHBondContact O-N 3.16Å; W133-I137 WeakPolarHBondContact O-CB 3.27Å; W133-I137 WeakPolarHBondContact O-CD1 3.3Å; W133-I137 VanDerWaalsContact O-CG1 3.24Å; W133-I137 WeakPolarHBondContact O-CG1 3.38Å; W133-I137 PolarHBondContact O-N 3.43Å |
| 134 | Q | 62.9 | Low | 75.4 | Confident | 126 Ų | 126 | 115.2 Ų | 115.2 | 59% | 0.589 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.9 | -44.3 | 176.3 | -73.1 | 172.4 | -16.4 | 0 | 0 | 111.7 | A130 E131 K132 G136 I137 V138 | A130-Q134 WeakPolarHBondContact O-CB 3.44Å; A130-Q134 VanDerWaalsContact O-CG 3.25Å; A130-Q134 WeakPolarHBondContact O-CG 3.47Å; A130-Q134 PolarHBondContact O-N 3.14Å; E131-Q134 PolarHBondContact O-N 2.77Å; K132-Q134 VanDerWaalsContact C-N 3.33Å; Q134-G136 PolarHBondContact O-N 3.08Å; Q134-I137 PolarHBondContact O-N 2.94Å; Q134-V138 VanDerWaalsContact O-CG2 3.25Å; Q134-V138 WeakPolarHBondContact O-CG2 3.35Å; Q134-V138 PolarHBondContact O-N 3.48Å |
| 135 | S | 66.9 | Low | 74.4 | Confident | 76 Ų | 76 | 116.6 Ų | 116.6 | 53% | 0.531 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.5 | -39.4 | 175.6 | -177.9 | 0 | 0 | 0 | 0 | 112.5 | E131 K132 V138 S139 | E131-S135 VanDerWaalsContact O-CB 3.32Å; E131-S135 WeakPolarHBondContact O-CB 3.4Å; E131-S135 PolarHBondContact O-N 3.01Å; K132-S135 PolarHBondContact O-N 3.3Å; S135-V138 PolarHBondContact O-N 3.3Å; S135-S139 WeakPolarHBondContact O-CB 2.96Å; S135-S139 PolarHBondContact O-N 3.3Å; S135-S139 PolarHBondContact O-OG 3.15Å |
| 136 | G | 63.6 | Low | 73.1 | Confident | 41 Ų | 41 | 115.9 Ų | 115.9 | 42% | 0.423 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.3 | -32.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K132 W133 Q134 | K132-G136 PolarHBondContact O-N 3.25Å; W133-G136 PolarHBondContact O-N 3.16Å; Q134-G136 PolarHBondContact O-N 3.08Å |
| 137 | I | 58.9 | Low | 71.7 | Confident | 122 Ų | 122 | 114.4 Ų | 114.4 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76 | -35.9 | 175.9 | -71.6 | 166 | 0 | 0 | 0 | 111.6 | W133 Q134 S139 | W133-I137 WeakPolarHBondContact O-CB 3.27Å; W133-I137 WeakPolarHBondContact O-CD1 3.3Å; W133-I137 VanDerWaalsContact O-CG1 3.24Å; W133-I137 WeakPolarHBondContact O-CG1 3.38Å; W133-I137 PolarHBondContact O-N 3.43Å; Q134-I137 PolarHBondContact O-N 2.94Å; I137-S139 VanDerWaalsContact C-N 3.28Å; I137-S139 PolarHBondContact O-N 2.97Å |
| 138 | V | 58.8 | Low | 70.2 | Confident | 122 Ų | 122 | 114.1 Ų | 114.1 | 74% | 0.739 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -77.7 | -14.8 | -178.8 | 176 | 0 | 0 | 0 | 0 | 112.5 | Q134 S135 | Q134-V138 VanDerWaalsContact O-CG2 3.25Å; Q134-V138 WeakPolarHBondContact O-CG2 3.35Å; Q134-V138 PolarHBondContact O-N 3.48Å; S135-V138 PolarHBondContact O-N 3.3Å |
| 139 | S | 57.1 | Low | 68.8 | Low | 97 Ų | 97 | 112.8 Ų | 112.8 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 8 | 179.5 | -56.2 | 0 | 0 | 0 | 0 | 114.5 | S135 I137 | S135-S139 WeakPolarHBondContact O-CB 2.96Å; S135-S139 PolarHBondContact O-N 3.3Å; S135-S139 PolarHBondContact O-OG 3.15Å; I137-S139 VanDerWaalsContact C-N 3.28Å; I137-S139 PolarHBondContact O-N 2.97Å |
| 140 | L | 49.6 | Very low | 67.2 | Low | 214 Ų | 214 | 115.4 Ų | 115.4 | 100% | 1.12 | 63% | 0.625 | S | S | * | * | trans | -114.8 | 0 | 175.5 | -76.7 | 164.3 | 0 | 0 | 0 | 110.6 |
Retrieved 140 of 140 residues in 78.2 ms
(Link to these results)