| 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 | 35.6 | Very low | 52.4 | Low | 221 Ų | 221 | 159.6 Ų | 159.6 | 100% | 1.089 | 78% | 0.777 | S | S | * | * | 0 | 105.3 | 0 | -132.1 | 151.3 | -172 | 0 | 0 | 102.9 | D3 | M1-D3 PolarHBondContact O-N 3.43Š| |||
| 2 | E | 43.6 | Very low | 52.9 | Low | 196 Ų | 196 | 156.8 Ų | 156.8 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -74.4 | 104.5 | 170.2 | -74.3 | 163.4 | 161.3 | 0 | 0 | 104 | E4 | E2-E4 VanDerWaalsContact C-N 3.35Å; E2-E4 PolarHBondContact O-N 2.91Å | ||
| 3 | D | 44.5 | Very low | 53.8 | Low | 143 Ų | 143 | 148.7 Ų | 148.7 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | trans | -64 | 102.4 | 174.8 | -55.6 | -55.6 | 0 | 0 | 0 | 105.8 | M1 E5 | M1-D3 PolarHBondContact O-N 3.43Å; D3-E5 VanDerWaalsContact C-N 3.32Å; D3-E5 PolarHBondContact O-N 3.08Å | ||
| 4 | E | 52 | Low | 54.7 | Low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | trans | -58.9 | 102 | 171.6 | -164.3 | 159.9 | -156.4 | 0 | 0 | 105.4 | E2 V6 | E2-E4 VanDerWaalsContact C-N 3.35Å; E2-E4 PolarHBondContact O-N 2.91Å; E4-V6 PolarHBondContact O-N 3.08Å | ||
| 5 | E | 53.7 | Low | 55.4 | Low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -59.8 | 81.7 | 179.1 | -115.6 | 175 | -168 | 0 | 0 | 107.9 | D3 C7 | D3-E5 VanDerWaalsContact C-N 3.32Å; D3-E5 PolarHBondContact O-N 3.08Å; E5-C7 PolarHBondContact O-N 3.07Å | ||
| 6 | V | 55.2 | Low | 56.6 | Low | 115 Ų | 115 | 139.8 Ų | 139.8 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | trans | -65.1 | 105.6 | 169.5 | 175.3 | 0 | 0 | 0 | 0 | 104.8 | E4 E8 | E4-V6 PolarHBondContact O-N 3.08Å; V6-E8 PolarHBondContact O-N 2.74Å | ||
| 7 | C | 47.3 | Very low | 57.7 | Low | 64 Ų | 64 | 133.8 Ų | 133.8 | 43% | 0.432 | 70% | 0.702 | S | S | . | * | trans | -53.6 | 109.6 | 175.9 | -56.4 | 0 | 0 | 0 | 0 | 108.8 | E5 S9 A13 | E5-C7 PolarHBondContact O-N 3.07Å; C7-S9 PolarHBondContact O-N 2.88Å; C7-S9 VanDerWaalsContact O-N 3.13Å; C7-A13 HydrophobicContact CB-CB 3.92Å | ||
| 8 | E | 49.8 | Very low | 59 | Low | 195 Ų | 195 | 133.4 Ų | 133.4 | 91% | 0.911 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -70.1 | -8.4 | -174.1 | -62.5 | -172.6 | 161.3 | 0 | 0 | 112.5 | V6 | V6-E8 PolarHBondContact O-N 2.74Š|
| 9 | S | 54.2 | Low | 60 | Low | 50 Ų | 50 | 133.7 Ų | 133.7 | 35% | 0.35 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -136.1 | 134.4 | 176.9 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | C7 E11 E12 A13 | C7-S9 PolarHBondContact O-N 2.88Å; C7-S9 VanDerWaalsContact O-N 3.13Å; S9-E11 PolarHBondContact O-N 3.1Å; S9-E11 VanDerWaalsContact O-N 3.13Å; S9-E11 WeakPolarHBondContact OG-CB 3.39Å; S9-E11 PolarHBondContact OG-N 2.81Å; S9-E12 PolarHBondContact O-N 2.81Å; S9-E12 VanDerWaalsContact O-N 3.08Å; S9-A13 PolarHBondContact O-N 3.27Å |
| 10 | W | 79.5 | Confident | 61.2 | Low | 247 Ų | 247 | 132.1 Ų | 132.1 | 94% | 0.936 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -56.8 | -23.2 | 170.3 | -79.6 | 82.9 | 0 | 0 | 0 | 113 | ||
| 11 | E | 61.2 | Low | 62.3 | Low | 159 Ų | 159 | 133.3 Ų | 133.3 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -71.7 | -40.7 | 176.4 | -170.9 | 170.9 | -160 | 0 | 0 | 111.6 | S9 A14 D15 | S9-E11 PolarHBondContact O-N 3.1Å; S9-E11 VanDerWaalsContact O-N 3.13Å; S9-E11 WeakPolarHBondContact OG-CB 3.39Å; S9-E11 PolarHBondContact OG-N 2.81Å; E11-A14 PolarHBondContact O-N 3.43Å; E11-D15 PolarHBondContact O-N 3.32Å |
| 12 | E | 58.5 | Low | 64.6 | Low | 126 Ų | 126 | 131.4 Ų | 131.4 | 59% | 0.589 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.6 | -34.4 | -177.9 | -170.3 | 163.8 | -163.5 | 0 | 0 | 112.2 | S9 A14 D15 S16 | S9-E12 PolarHBondContact O-N 2.81Å; S9-E12 VanDerWaalsContact O-N 3.08Å; E12-A14 PolarHBondContact O-N 2.6Å; E12-D15 PolarHBondContact O-N 3.07Å; E12-S16 PolarHBondContact O-N 3.12Å; E12-S16 VanDerWaalsContact O-N 3.11Å |
| 13 | A | 63.8 | Low | 66.6 | Low | 51 Ų | 51 | 126.9 Ų | 126.9 | 42% | 0.421 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -62.1 | -28.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C7 S9 | C7-A13 HydrophobicContact CB-CB 3.92Å; S9-A13 PolarHBondContact O-N 3.27Å |
| 14 | A | 66.4 | Low | 68.5 | Low | 83 Ų | 83 | 124.6 Ų | 124.6 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -81.5 | -33.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E11 E12 | E11-A14 PolarHBondContact O-N 3.43Å; E12-A14 PolarHBondContact O-N 2.6Å |
| 15 | D | 65.6 | Low | 69.9 | Low | 147 Ų | 147 | 118.3 Ų | 118.3 | 79% | 0.786 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -85.3 | -17.4 | -176 | -154.4 | 31.3 | 0 | 0 | 0 | 113.7 | E11 E12 G17 | E11-D15 PolarHBondContact O-N 3.32Å; E12-D15 PolarHBondContact O-N 3.07Å; D15-G17 PolarHBondContact O-N 2.92Å |
| 16 | S | 74.1 | Confident | 71.1 | Confident | 73 Ų | 73 | 116 Ų | 116 | 51% | 0.51 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58 | -19.3 | 178.9 | 170.7 | 0 | 0 | 0 | 0 | 114.7 | E12 E18 | E12-S16 PolarHBondContact O-N 3.12Å; E12-S16 VanDerWaalsContact O-N 3.11Å; S16-E18 PolarHBondContact O-N 2.76Å |
| 17 | G | 75.4 | Confident | 72.2 | Confident | 38 Ų | 38 | 115.5 Ų | 115.5 | 39% | 0.392 | 60% | 0.598 | S | S | . | * | trans | 66.2 | 4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D15 I19 V20 K21 | D15-G17 PolarHBondContact O-N 2.92Å; G17-I19 VanDerWaalsContact C-N 3.31Å; G17-I19 PolarHBondContact O-N 3.2Å; G17-V20 WeakPolarHBondContact O-CB 3.09Å; G17-V20 PolarHBondContact O-N 3.23Å; G17-V20 VanDerWaalsContact O-N 3.08Å; G17-K21 PolarHBondContact O-N 2.85Å; G17-K21 VanDerWaalsContact O-N 3.15Å | ||
| 18 | E | 80.9 | Confident | 73.4 | Confident | 127 Ų | 127 | 118.6 Ų | 118.6 | 59% | 0.593 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.8 | -37 | -176 | -171.1 | 178.3 | 174.6 | 0 | 0 | 112.7 | S16 V20 K21 R22 | S16-E18 PolarHBondContact O-N 2.76Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 2.86Å; E18-K21 PolarHBondContact O-N 3.31Å; E18-R22 WeakPolarHBondContact O-CB 3.42Å; E18-R22 PolarHBondContact O-N 2.98Å |
| 19 | I | 79.1 | Confident | 74 | Confident | 140 Ų | 140 | 115 Ų | 115 | 72% | 0.718 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.2 | -41.2 | 174.8 | -90.6 | 155.6 | 0 | 0 | 0 | 111.7 | G17 L23 | G17-I19 VanDerWaalsContact C-N 3.31Å; G17-I19 PolarHBondContact O-N 3.2Å; I19-L23 VanDerWaalsContact O-CB 3.32Å; I19-L23 WeakPolarHBondContact O-CB 3.5Å; I19-L23 PolarHBondContact O-N 3.03Å |
| 20 | V | 83.7 | Confident | 74.5 | Confident | 101 Ų | 101 | 115.1 Ų | 115.1 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.1 | -44.8 | 179 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | G17 E18 R22 L23 E24 | G17-V20 WeakPolarHBondContact O-CB 3.09Å; G17-V20 PolarHBondContact O-N 3.23Å; G17-V20 VanDerWaalsContact O-N 3.08Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 2.86Å; V20-R22 PolarHBondContact O-N 3.48Å; V20-L23 PolarHBondContact O-N 2.94Å; V20-E24 WeakPolarHBondContact O-CB 3.49Å; V20-E24 PolarHBondContact O-N 2.88Å |
| 21 | K | 84.1 | Confident | 73.6 | Confident | 158 Ų | 158 | 110.4 Ų | 110.4 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.9 | -43.8 | 178.1 | -168.2 | 177.5 | -177.7 | 179.7 | 0 | 112.3 | G17 E18 E24 A25 | G17-K21 PolarHBondContact O-N 2.85Å; G17-K21 VanDerWaalsContact O-N 3.15Å; E18-K21 PolarHBondContact O-N 3.31Å; K21-E24 PolarHBondContact O-N 2.95Å; K21-A25 WeakPolarHBondContact O-CB 3.4Å; K21-A25 PolarHBondContact O-N 3.4Å |
| 22 | R | 84.1 | Confident | 73.5 | Confident | 180 Ų | 180 | 111.2 Ų | 111.2 | 68% | 0.679 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.4 | -38.7 | 176.4 | -172.8 | 172.9 | -176.5 | 155.8 | -0 | 111.9 | E18 V20 K26 | E18-R22 WeakPolarHBondContact O-CB 3.42Å; E18-R22 PolarHBondContact O-N 2.98Å; V20-R22 PolarHBondContact O-N 3.48Å; R22-K26 WeakPolarHBondContact O-CG 3.29Å; R22-K26 PolarHBondContact O-N 3.25Å; R22-K26 VanDerWaalsContact O-N 3.14Å |
| 23 | L | 85.5 | Confident | 73.4 | Confident | 101 Ų | 101 | 108 Ų | 108 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.6 | -46.9 | 175.8 | -178.9 | 61.7 | 0 | 0 | 0 | 111.3 | I19 V20 A25 K26 L27 | I19-L23 VanDerWaalsContact O-CB 3.32Å; I19-L23 WeakPolarHBondContact O-CB 3.5Å; I19-L23 PolarHBondContact O-N 3.03Å; V20-L23 PolarHBondContact O-N 2.94Å; L23-A25 PolarHBondContact O-N 2.94Å; L23-K26 PolarHBondContact O-N 3.45Å; L23-L27 HydrophobicContact CD1-CD1 4.41Å; L23-L27 HydrophobicContact CD1-CG 4.43Å; L23-L27 HydrophobicContact CG-CD1 4.2Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.3Å |
| 24 | E | 84.5 | Confident | 73.1 | Confident | 96 Ų | 96 | 112 Ų | 112 | 45% | 0.449 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61 | -44.1 | 178.9 | -164.8 | -164.1 | 162.9 | 0 | 0 | 111.6 | V20 K21 K26 L27 K28 | V20-E24 WeakPolarHBondContact O-CB 3.49Å; V20-E24 PolarHBondContact O-N 2.88Å; K21-E24 PolarHBondContact O-N 2.95Å; E24-K26 PolarHBondContact O-N 2.86Å; E24-L27 PolarHBondContact O-N 3.22Å; E24-K28 HydrophobicContact CG-CD 4.39Å; E24-K28 PolarHBondContact O-N 3.37Å; E24-K28 WeakPolarHBondContact OE1-CE 3.47Å; E24-K28 IonicContact OE1-NZ 2.6Å; E24-K28 PolarHBondContact OE1-NZ 3.31Å |
| 25 | A | 80.9 | Confident | 72.5 | Confident | 47 Ų | 47 | 116.2 Ų | 116.2 | 39% | 0.388 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.2 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K21 L23 L27 K28 I29 | K21-A25 WeakPolarHBondContact O-CB 3.4Å; K21-A25 PolarHBondContact O-N 3.4Å; L23-A25 PolarHBondContact O-N 2.94Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 PolarHBondContact O-N 3.34Å; A25-K28 PolarHBondContact O-N 3.12Å; A25-I29 WeakPolarHBondContact O-CD1 3.26Å; A25-I29 VanDerWaalsContact O-CG1 3.26Å; A25-I29 WeakPolarHBondContact O-CG1 3.42Å; A25-I29 PolarHBondContact O-N 2.97Å |
| 26 | K | 78.3 | Confident | 71.9 | Confident | 139 Ų | 139 | 111.8 Ų | 111.8 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.4 | -39.2 | 176.7 | -74.9 | 176.7 | 67.2 | -179.1 | 0 | 112.3 | R22 L23 E24 S30 | R22-K26 WeakPolarHBondContact O-CG 3.29Å; R22-K26 PolarHBondContact O-N 3.25Å; R22-K26 VanDerWaalsContact O-N 3.14Å; L23-K26 PolarHBondContact O-N 3.45Å; E24-K26 PolarHBondContact O-N 2.86Å; K26-S30 WeakPolarHBondContact O-CB 3.19Å; K26-S30 PolarHBondContact O-N 3.23Å |
| 27 | L | 78.5 | Confident | 70.8 | Confident | 104 Ų | 104 | 112 Ų | 112 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.2 | -41.8 | 177.8 | -71 | 175.4 | 0 | 0 | 0 | 112.2 | L23 E24 A25 I29 S30 Q31 | L23-L27 HydrophobicContact CD1-CD1 4.41Å; L23-L27 HydrophobicContact CD1-CG 4.43Å; L23-L27 HydrophobicContact CG-CD1 4.2Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.3Å; E24-L27 PolarHBondContact O-N 3.22Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 PolarHBondContact O-N 3.34Å; L27-I29 PolarHBondContact O-N 3.33Å; L27-S30 PolarHBondContact O-N 3.13Å; L27-Q31 PolarHBondContact O-N 3.35Å |
| 28 | K | 73.1 | Confident | 69.8 | Low | 129 Ų | 129 | 117.4 Ų | 117.4 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.8 | -41.9 | 174.6 | -83 | 170.7 | 162.8 | 163.6 | 0 | 112.1 | E24 A25 K32 | E24-K28 HydrophobicContact CG-CD 4.39Å; E24-K28 PolarHBondContact O-N 3.37Å; E24-K28 WeakPolarHBondContact OE1-CE 3.47Å; E24-K28 IonicContact OE1-NZ 2.6Å; E24-K28 PolarHBondContact OE1-NZ 3.31Å; A25-K28 PolarHBondContact O-N 3.12Å; K28-K32 PolarHBondContact O-N 2.94Å; K28-K32 VanDerWaalsContact O-N 3.17Å |
| 29 | I | 63.4 | Low | 68.3 | Low | 118 Ų | 118 | 116.3 Ų | 116.3 | 61% | 0.605 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.9 | -42.8 | 176.4 | -66 | 160.2 | 0 | 0 | 0 | 110.9 | A25 L27 K32 A33 | A25-I29 WeakPolarHBondContact O-CD1 3.26Å; A25-I29 VanDerWaalsContact O-CG1 3.26Å; A25-I29 WeakPolarHBondContact O-CG1 3.42Å; A25-I29 PolarHBondContact O-N 2.97Å; L27-I29 PolarHBondContact O-N 3.33Å; I29-K32 PolarHBondContact O-N 3.45Å; I29-A33 WeakPolarHBondContact O-CB 3.38Å; I29-A33 PolarHBondContact O-N 3.09Å |
| 30 | S | 63.2 | Low | 66.7 | Low | 53 Ų | 53 | 113.3 Ų | 113.3 | 37% | 0.371 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.6 | -39.5 | 178.9 | -166.7 | 0 | 0 | 0 | 0 | 112.7 | K26 L27 A33 K34 | K26-S30 WeakPolarHBondContact O-CB 3.19Å; K26-S30 PolarHBondContact O-N 3.23Å; L27-S30 PolarHBondContact O-N 3.13Å; S30-A33 PolarHBondContact O-N 2.93Å; S30-K34 WeakPolarHBondContact O-CB 3.35Å; S30-K34 VanDerWaalsContact O-CG 3.29Å; S30-K34 WeakPolarHBondContact O-CG 3.45Å; S30-K34 PolarHBondContact O-N 3.42Å |
| 31 | Q | 61 | Low | 65.4 | Low | 149 Ų | 149 | 112 Ų | 112 | 70% | 0.696 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.2 | -42.6 | 173.9 | -82.1 | -169.1 | 13.6 | 0 | 0 | 112.2 | L27 K34 K35 | L27-Q31 PolarHBondContact O-N 3.35Å; Q31-K34 PolarHBondContact O-N 3.42Å; Q31-K35 PolarHBondContact O-N 3.3Å; Q31-K35 VanDerWaalsContact O-N 3.09Å |
| 32 | K | 59.1 | Low | 64.3 | Low | 175 Ų | 175 | 110 Ų | 110 | 76% | 0.761 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64 | -40.9 | 177.3 | -121.7 | 178.5 | 173.7 | -170.1 | 0 | 111.8 | K28 I29 K35 A36 | K28-K32 PolarHBondContact O-N 2.94Å; K28-K32 VanDerWaalsContact O-N 3.17Å; I29-K32 PolarHBondContact O-N 3.45Å; K32-K35 PolarHBondContact O-N 2.96Å; K32-A36 PolarHBondContact O-N 3.46Å |
| 33 | A | 57 | Low | 62.7 | Low | 58 Ų | 58 | 107 Ų | 107 | 48% | 0.479 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.7 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I29 S30 K35 A36 S37 | I29-A33 WeakPolarHBondContact O-CB 3.38Å; I29-A33 PolarHBondContact O-N 3.09Å; S30-A33 PolarHBondContact O-N 2.93Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 3.26Å; A33-A36 PolarHBondContact O-N 3.46Å; A33-S37 PolarHBondContact O-N 2.98Å |
| 34 | K | 56.3 | Low | 61.1 | Low | 135 Ų | 135 | 107.5 Ų | 107.5 | 59% | 0.587 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.9 | -32.1 | 176.1 | -74.9 | -178.6 | -178.6 | -173 | 0 | 113.2 | S30 Q31 S37 I38 | S30-K34 WeakPolarHBondContact O-CB 3.35Å; S30-K34 VanDerWaalsContact O-CG 3.29Å; S30-K34 WeakPolarHBondContact O-CG 3.45Å; S30-K34 PolarHBondContact O-N 3.42Å; Q31-K34 PolarHBondContact O-N 3.42Å; K34-S37 PolarHBondContact O-OG 3.42Å; K34-I38 PolarHBondContact O-N 2.93Å |
| 35 | K | 54.7 | Low | 59.4 | Low | 173 Ų | 173 | 110.2 Ų | 110.2 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.2 | -30.1 | 176.6 | -145.5 | -175 | -177 | -165.5 | 0 | 112.2 | Q31 K32 A33 | Q31-K35 PolarHBondContact O-N 3.3Å; Q31-K35 VanDerWaalsContact O-N 3.09Å; K32-K35 PolarHBondContact O-N 2.96Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 3.26Å |
| 36 | A | 53.9 | Low | 58.3 | Low | 54 Ų | 54 | 119.5 Ų | 119.5 | 45% | 0.446 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -78.6 | -35.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K32 A33 I38 S39 S40 | K32-A36 PolarHBondContact O-N 3.46Å; A33-A36 PolarHBondContact O-N 3.46Å; A36-I38 VanDerWaalsContact C-N 3.27Å; A36-I38 PolarHBondContact O-N 2.88Å; A36-S39 PolarHBondContact O-N 3.24Å; A36-S39 PolarHBondContact O-OG 3.41Å; A36-S39 VanDerWaalsContact O-OG 3.12Å; A36-S40 PolarHBondContact O-N 2.89Å; A36-S40 PolarHBondContact O-OG 3.13Å |
| 37 | S | 50 | Low | 57.3 | Low | 78 Ų | 78 | 118.3 Ų | 118.3 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -75.8 | -11 | 179.8 | 77.2 | 0 | 0 | 0 | 0 | 114.4 | A33 K34 | A33-S37 PolarHBondContact O-N 2.98Å; K34-S37 PolarHBondContact O-OG 3.42Å |
| 38 | I | 53.7 | Low | 56.3 | Low | 151 Ų | 151 | 117.6 Ų | 117.6 | 77% | 0.774 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -21.8 | 173.6 | -83.1 | 168.6 | 0 | 0 | 0 | 111.8 | K34 A36 | K34-I38 PolarHBondContact O-N 2.93Å; A36-I38 VanDerWaalsContact C-N 3.27Å; A36-I38 PolarHBondContact O-N 2.88Å |
| 39 | S | 50.6 | Low | 55.4 | Low | 104 Ų | 104 | 120.3 Ų | 120.3 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -14.9 | 178.8 | 56.9 | 0 | 0 | 0 | 0 | 114.8 | A36 | A36-S39 PolarHBondContact O-N 3.24Å; A36-S39 PolarHBondContact O-OG 3.41Å; A36-S39 VanDerWaalsContact O-OG 3.12Å |
| 40 | S | 46 | Very low | 55.3 | Low | 77 Ų | 77 | 120.3 Ų | 120.3 | 54% | 0.538 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -116.1 | 98.9 | 171.2 | 58.1 | 0 | 0 | 0 | 0 | 108.8 | A36 | A36-S40 PolarHBondContact O-N 2.89Å; A36-S40 PolarHBondContact O-OG 3.13Å |
| 41 | G | 55.2 | Low | 55.3 | Low | 73 Ų | 73 | 125.7 Ų | 125.7 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | trans | -53 | 139.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 42 | S | 60.9 | Low | 55.1 | Low | 116 Ų | 116 | 125.6 Ų | 125.6 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | trans | 79.8 | 109.1 | 169.9 | -161.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 43 | S | 50.6 | Low | 55.2 | Low | 117 Ų | 117 | 123.3 Ų | 123.3 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -165.1 | 151.2 | 151.8 | -83.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 44 | P | 52.8 | Low | 55.4 | Low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | -114.9 | 115.1 | -115.2 | 34.2 | -23.6 | 0 | 0 | 0 | 112.4 | |||||
| 45 | I | 47.9 | Very low | 55.8 | Low | 153 Ų | 153 | 126.2 Ų | 126.2 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -106.4 | 101.7 | 150 | -62 | 178.7 | 0 | 0 | 0 | 104.4 | T47 | I45-T47 PolarHBondContact O-N 3Å; I45-T47 PolarHBondContact O-OG1 3.29Å | ||
| 46 | R | 57.8 | Low | 56.3 | Low | 242 Ų | 242 | 124.5 Ų | 124.5 | 91% | 0.913 | 72% | 0.724 | S | S | * | * | trans | -71.2 | 77.3 | 168.1 | -77 | -169.4 | -92.2 | -150.4 | -4.2 | 107.6 | A48 | R46-A48 PolarHBondContact O-N 3.38Š| ||
| 47 | T | 58.2 | Low | 57.1 | Low | 114 Ų | 114 | 127.9 Ų | 127.9 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | -57.9 | 119.2 | 155.5 | 6.5 | 0 | 0 | 0 | 0 | 105.7 | I45 M49 | I45-T47 PolarHBondContact O-N 3Å; I45-T47 PolarHBondContact O-OG1 3.29Å; T47-M49 PolarHBondContact O-N 3.21Å | ||
| 48 | A | 56.2 | Low | 58.2 | Low | 89 Ų | 89 | 128.8 Ų | 128.8 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -46.4 | 119.3 | 172 | 0 | 0 | 0 | 0 | 0 | 107.5 | R46 V50 | R46-A48 PolarHBondContact O-N 3.38Å; A48-V50 VanDerWaalsContact C-N 3.32Å; A48-V50 PolarHBondContact O-N 3.23Å | ||
| 49 | M | 54.2 | Low | 59.3 | Low | 187 Ų | 187 | 125.8 Ų | 125.8 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | trans | -64.4 | 101 | 178.2 | -65.4 | -176.1 | 78 | 0 | 0 | 106.7 | T47 I51 | T47-M49 PolarHBondContact O-N 3.21Å; M49-I51 PolarHBondContact O-N 3.44Å | ||
| 50 | V | 62.3 | Low | 60.9 | Low | 118 Ų | 118 | 126.3 Ų | 126.3 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | trans | -69.4 | 115.3 | 166.1 | 177.4 | 0 | 0 | 0 | 0 | 104.6 | A48 Q52 | A48-V50 VanDerWaalsContact C-N 3.32Å; A48-V50 PolarHBondContact O-N 3.23Å; V50-Q52 VanDerWaalsContact C-N 3.29Å; V50-Q52 PolarHBondContact O-N 2.97Å | ||
| 51 | I | 63.7 | Low | 62.6 | Low | 165 Ų | 165 | 128.2 Ų | 128.2 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -58.8 | 100.9 | 168.1 | -60.4 | 174.5 | 0 | 0 | 0 | 105.3 | M49 D53 | M49-I51 PolarHBondContact O-N 3.44Å; I51-D53 PolarHBondContact O-N 3.01Å | ||
| 52 | Q | 55.4 | Low | 64 | Low | 147 Ų | 147 | 130.5 Ų | 130.5 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | -76.3 | 111.9 | 173.2 | -83.1 | 177 | -11.3 | 0 | 0 | 106.4 | V50 E54 | V50-Q52 VanDerWaalsContact C-N 3.29Å; V50-Q52 PolarHBondContact O-N 2.97Å; Q52-E54 VanDerWaalsContact C-N 3.34Å; Q52-E54 PolarHBondContact O-N 3.46Å | ||
| 53 | D | 62.3 | Low | 65.2 | Low | 128 Ų | 128 | 133.9 Ų | 133.9 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | trans | -64.1 | 101.6 | 158.9 | -166 | -22.1 | 0 | 0 | 0 | 106.1 | I51 S55 | I51-D53 PolarHBondContact O-N 3.01Å; D53-S55 PolarHBondContact O-N 3.27Å; D53-S55 WeakPolarHBondContact OD1-CB 3.36Å; D53-S55 PolarHBondContact OD1-OG 3.14Å | ||
| 54 | E | 60.9 | Low | 66.9 | Low | 172 Ų | 172 | 135.3 Ų | 135.3 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 9.6 | -172.8 | -57.8 | -122.5 | 156.1 | 0 | 0 | 113.1 | Q52 L56 | Q52-E54 VanDerWaalsContact C-N 3.34Å; Q52-E54 PolarHBondContact O-N 3.46Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 2.95Å |
| 55 | S | 64.9 | Low | 68.6 | Low | 81 Ų | 81 | 141.2 Ų | 141.2 | 57% | 0.566 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -12.3 | 179.3 | 57.9 | 0 | 0 | 0 | 0 | 114 | D53 | D53-S55 PolarHBondContact O-N 3.27Å; D53-S55 WeakPolarHBondContact OD1-CB 3.36Å; D53-S55 PolarHBondContact OD1-OG 3.14Å |
| 56 | L | 64.4 | Low | 70.4 | Confident | 138 Ų | 138 | 141.4 Ų | 141.4 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -115.1 | 123.7 | -178.2 | -58.4 | -176.1 | 0 | 0 | 0 | 111.6 | E54 A58 | E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 PolarHBondContact O-N 2.95Å; L56-A58 PolarHBondContact O-N 3.42Å |
| 57 | P | 70.8 | Confident | 71.8 | Confident | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 131.5 | 176.7 | 24.1 | -31.9 | 0 | 0 | 0 | 109.9 | A59 | P57-A59 PolarHBondContact O-N 3.3Š|
| 58 | A | 73.5 | Confident | 73.2 | Confident | 97 Ų | 97 | 140.3 Ų | 140.3 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 125.9 | 176 | 0 | 0 | 0 | 0 | 0 | 109.9 | L56 | L56-A58 PolarHBondContact O-N 3.42Š|
| 59 | A | 77.1 | Confident | 74.6 | Confident | 88 Ų | 88 | 146.7 Ų | 146.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P57 | P57-A59 PolarHBondContact O-N 3.3Š|
| 60 | P | 83.4 | Confident | 76 | Confident | 116 Ų | 116 | 143.2 Ų | 143.2 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 140.9 | 179.7 | 22.5 | -31.3 | 0 | 0 | 0 | 110.3 | ||
| 61 | P | 82.3 | Confident | 76.6 | Confident | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60 | 141 | -177.6 | 24.6 | -33.6 | 0 | 0 | 0 | 110.5 | Q63 | P61-Q63 PolarHBondContact O-N 3.48Š|
| 62 | P | 84.2 | Confident | 76.7 | Confident | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 129 | -177 | 25.8 | -34.1 | 0 | 0 | 0 | 110.4 | I64 | P62-I64 PolarHBondContact O-N 3.04Š|
| 63 | Q | 86.2 | Confident | 77.2 | Confident | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -86.8 | 113 | -177 | -144.8 | 173.5 | 18 | 0 | 0 | 109.9 | P61 | P61-Q63 PolarHBondContact O-N 3.48Š| ||
| 64 | I | 85.5 | Confident | 77.4 | Confident | 148 Ų | 148 | 137.9 Ų | 137.9 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -87.5 | 135.9 | 173.8 | 61 | 171.8 | 0 | 0 | 0 | 110.2 | P62 | P62-I64 PolarHBondContact O-N 3.04Š| ||
| 65 | R | 88.6 | Confident | 77.1 | Confident | 234 Ų | 234 | 134.4 Ų | 134.4 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -121.5 | 114.1 | 174.7 | -66 | 178.8 | 68 | 170.4 | 1 | 108.8 | ||||
| 66 | I | 86.6 | Confident | 76.7 | Confident | 158 Ų | 158 | 139 Ų | 139 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 121.4 | 178.4 | -58.2 | 173.5 | 0 | 0 | 0 | 108.2 | ||
| 67 | L | 87.3 | Confident | 76.1 | Confident | 157 Ų | 157 | 134.7 Ų | 134.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 140.4 | 174.8 | -157.8 | 118.5 | 0 | 0 | 0 | 109.8 | R69 | L67-R69 PolarHBondContact O-N 3.32Š|
| 68 | K | 87.6 | Confident | 75.3 | Confident | 175 Ų | 175 | 133.3 Ų | 133.3 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 128.7 | 177.2 | -168.2 | 176.5 | 71.5 | 172.8 | 0 | 109.2 | ||
| 69 | R | 86.1 | Confident | 74.5 | Confident | 224 Ų | 224 | 134.7 Ų | 134.7 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 137.9 | 174.9 | -68 | -178.3 | 169.7 | -166.1 | -2.8 | 109.5 | L67 S71 | L67-R69 PolarHBondContact O-N 3.32Å; R69-S71 PolarHBondContact O-N 3.17Å |
| 70 | P | 82.5 | Confident | 73.4 | Confident | 113 Ų | 113 | 134.1 Ų | 134.1 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 136.3 | 171.7 | 25.2 | -31.5 | 0 | 0 | 0 | 109.5 | S72 | P70-S72 PolarHBondContact O-N 2.97Å; P70-S72 VanDerWaalsContact O-N 3.13Å |
| 71 | S | 74.6 | Confident | 71.7 | Confident | 122 Ų | 122 | 131.9 Ų | 131.9 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -69.8 | -3.7 | -178.5 | -35.1 | 0 | 0 | 0 | 0 | 113.8 | R69 | R69-S71 PolarHBondContact O-N 3.17Š|
| 72 | S | 66.4 | Low | 70.4 | Confident | 84 Ų | 84 | 132.2 Ų | 132.2 | 59% | 0.587 | 77% | 0.769 | S | S | * | * | trans | -96.2 | 96.7 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | P70 G74 | P70-S72 PolarHBondContact O-N 2.97Å; P70-S72 VanDerWaalsContact O-N 3.13Å; S72-G74 PolarHBondContact O-N 3.21Å | ||
| 73 | N | 65.9 | Low | 69.2 | Low | 171 Ų | 171 | 133.7 Ų | 133.7 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 108.4 | 165.1 | -154.6 | 15.2 | 0 | 0 | 0 | 107.2 | ||||
| 74 | G | 65.8 | Low | 67.9 | Low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | 79 | 53.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | S72 | S72-G74 PolarHBondContact O-N 3.21Š| ||
| 75 | S | 55.4 | Low | 66.5 | Low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | -113.6 | 90.4 | 141.2 | -167.9 | 0 | 0 | 0 | 0 | 108.7 | G77 | S75-G77 PolarHBondContact O-N 3.48Š| ||
| 76 | L | 57.2 | Low | 64.7 | Low | 178 Ų | 178 | 124.5 Ų | 124.5 | 93% | 0.932 | 74% | 0.744 | S | S | * | * | trans | -63.8 | 70.3 | 151.3 | -79.6 | 146.5 | 0 | 0 | 0 | 107.1 | S78 | L76-S78 PolarHBondContact O-N 3.36Š| ||
| 77 | G | 51.2 | Low | 63.5 | Low | 48 Ų | 48 | 122.8 Ų | 122.8 | 50% | 0.495 | 73% | 0.732 | S | S | . | * | trans | -64.6 | 91.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | S75 S79 | S75-G77 PolarHBondContact O-N 3.48Å; G77-S79 PolarHBondContact O-N 3.38Å; G77-S79 PolarHBondContact O-OG 2.92Å; G77-S79 VanDerWaalsContact O-OG 3.06Å | ||
| 78 | S | 53.9 | Low | 62.6 | Low | 95 Ų | 95 | 122 Ų | 122 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | trans | -32.6 | 98.4 | 172.4 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | L76 | L76-S78 PolarHBondContact O-N 3.36Š| ||
| 79 | S | 57.1 | Low | 62 | Low | 125 Ų | 125 | 119.4 Ų | 119.4 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | trans | -111 | 78 | 170.4 | -58.6 | 0 | 0 | 0 | 0 | 105.7 | G77 | G77-S79 PolarHBondContact O-N 3.38Å; G77-S79 PolarHBondContact O-OG 2.92Å; G77-S79 VanDerWaalsContact O-OG 3.06Å | ||
| 80 | G | 53.1 | Low | 61.9 | Low | 77 Ų | 77 | 111.9 Ų | 111.9 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 160.7 | 0.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 81 | S | 49.4 | Very low | 61.9 | Low | 69 Ų | 69 | 110.2 Ų | 110.2 | 48% | 0.483 | 69% | 0.69 | S | S | . | * | trans | -148 | 82.8 | 169.9 | -168 | 0 | 0 | 0 | 0 | 111.4 | N83 | S81-N83 PolarHBondContact O-N 3.37Š| ||
| 82 | S | 54.9 | Low | 62.4 | Low | 123 Ų | 123 | 109.5 Ų | 109.5 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 6.8 | 175.6 | -168.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 83 | N | 57.6 | Low | 63.4 | Low | 152 Ų | 152 | 108.5 Ų | 108.5 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | -3 | -174.1 | -73.1 | -27.5 | 0 | 0 | 0 | 115.2 | S81 P85 | S81-N83 PolarHBondContact O-N 3.37Å; N83-P85 WeakPolarHBondContact O-CD 3.26Å |
| 84 | R | 58.4 | Low | 64.7 | Low | 159 Ų | 159 | 105.4 Ų | 105.4 | 60% | 0.6 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -94 | 112.1 | 172.9 | -163.9 | 173.1 | -172.6 | -101.8 | 0.1 | 108.5 | T86 | R84-T86 PolarHBondContact O-N 3Š|
| 85 | P | 57.8 | Low | 65.8 | Low | 104 Ų | 104 | 109.4 Ų | 109.4 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | trans | -55.4 | 135.4 | 174 | 22.4 | -31 | 0 | 0 | 0 | 108.5 | N83 Q87 | N83-P85 WeakPolarHBondContact O-CD 3.26Å; P85-Q87 PolarHBondContact O-N 2.92Å | ||
| 86 | T | 50.7 | Low | 67.5 | Low | 113 Ų | 113 | 110.5 Ų | 110.5 | 69% | 0.693 | 64% | 0.64 | S | S | * | * | trans | -53 | 110.1 | 173 | 57.1 | 0 | 0 | 0 | 0 | 106.9 | R84 Q88 | R84-T86 PolarHBondContact O-N 3Å; T86-Q88 VanDerWaalsContact C-N 3.28Å; T86-Q88 PolarHBondContact O-N 2.95Å; T86-Q88 PolarHBondContact OG1-NE2 3.42Å | ||
| 87 | Q | 61.4 | Low | 69 | Low | 122 Ų | 122 | 105 Ų | 105 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | trans | -71.9 | 94.9 | -179.2 | -73.2 | -165.2 | -35 | 0 | 0 | 107.2 | P85 | P85-Q87 PolarHBondContact O-N 2.92Š| ||
| 88 | Q | 67.6 | Low | 70.9 | Confident | 140 Ų | 140 | 107.4 Ų | 107.4 | 65% | 0.654 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 140.1 | 164 | -60.1 | -61 | -42.7 | 0 | 0 | 107.8 | T86 K90 | T86-Q88 VanDerWaalsContact C-N 3.28Å; T86-Q88 PolarHBondContact O-N 2.95Å; T86-Q88 PolarHBondContact OG1-NE2 3.42Å; Q88-K90 PolarHBondContact O-N 3Å |
| 89 | P | 75.6 | Confident | 72.7 | Confident | 121 Ų | 121 | 111 Ų | 111 | 79% | 0.786 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 117.9 | -177.8 | 23.5 | -32.4 | 0 | 0 | 0 | 109.4 | S91 | P89-S91 PolarHBondContact O-N 3.18Š|
| 90 | K | 82.3 | Confident | 74.4 | Confident | 66 Ų | 66 | 107.6 Ų | 107.6 | 29% | 0.287 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 135.4 | 178.6 | -60.8 | -176.2 | -168.2 | 179.4 | 0 | 109.5 | Q88 Q94 R95 E98 | Q88-K90 PolarHBondContact O-N 3Å; K90-Q94 HydrophobicContact CB-CB 4.28Å; K90-Q94 HydrophobicContact CB-CG 4.27Å; K90-Q94 HydrophobicContact CD-CG 4.34Å; K90-R95 HydrophobicContact CB-CG 4.14Å; K90-R95 PolarHBondContact O-NE 3.43Å; K90-R95 PolarHBondContact O-NH2 3.46Å; K90-E98 IonicContact NZ-OE1 2.67Å; K90-E98 PolarHBondContact NZ-OE1 3Å; K90-E98 IonicContact NZ-OE2 3.36Å; K90-E98 PolarHBondContact NZ-OE2 2.87Å |
| 91 | S | 84.1 | Confident | 76.2 | Confident | 78 Ų | 78 | 110.4 Ų | 110.4 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 153.8 | 172.2 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | P89 A93 Q94 R95 | P89-S91 PolarHBondContact O-N 3.18Å; S91-A93 VanDerWaalsContact C-N 3.31Å; S91-A93 PolarHBondContact O-N 3.33Å; S91-Q94 WeakPolarHBondContact O-CB 3.35Å; S91-Q94 PolarHBondContact O-N 3.39Å; S91-R95 PolarHBondContact O-N 2.85Å; S91-R95 VanDerWaalsContact O-N 3.14Å |
| 92 | L | 84.1 | Confident | 78.3 | Confident | 107 Ų | 107 | 109.1 Ų | 109.1 | 56% | 0.56 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -55.3 | -47.7 | 179 | -169.4 | 162.8 | 0 | 0 | 0 | 110.7 | Q94 R95 E96 | L92-Q94 PolarHBondContact O-N 3.27Å; L92-R95 WeakPolarHBondContact O-CB 3.5Å; L92-R95 PolarHBondContact O-N 2.9Å; L92-E96 HydrophobicContact CD2-CG 3.83Å; L92-E96 WeakPolarHBondContact CD2-OE1 3.36Å; L92-E96 PolarHBondContact O-N 3.26Å |
| 93 | A | 88.1 | Confident | 80.1 | Confident | 62 Ų | 62 | 108.9 Ų | 108.9 | 51% | 0.512 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -57.7 | -34.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | S91 A97 | S91-A93 VanDerWaalsContact C-N 3.31Å; S91-A93 PolarHBondContact O-N 3.33Å; A93-A97 PolarHBondContact O-N 3.37Å; A93-A97 VanDerWaalsContact O-N 3.11Å |
| 94 | Q | 92.1 | Very high | 81.6 | Confident | 107 Ų | 107 | 108.7 Ų | 108.7 | 50% | 0.5 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.1 | -36.6 | 177.7 | -171.4 | 179.7 | 8.6 | 0 | 0 | 111.6 | K90 S91 L92 E98 | K90-Q94 HydrophobicContact CB-CB 4.28Å; K90-Q94 HydrophobicContact CB-CG 4.27Å; K90-Q94 HydrophobicContact CD-CG 4.34Å; S91-Q94 WeakPolarHBondContact O-CB 3.35Å; S91-Q94 PolarHBondContact O-N 3.39Å; L92-Q94 PolarHBondContact O-N 3.27Å; Q94-E98 PolarHBondContact O-N 2.9Å |
| 95 | R | 90.7 | Very high | 83.2 | Confident | 154 Ų | 154 | 111.6 Ų | 111.6 | 58% | 0.581 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.4 | -40.2 | 175.2 | -76.1 | -175.5 | -97.2 | 163 | -5.9 | 111.8 | K90 S91 L92 E98 Y99 | K90-R95 HydrophobicContact CB-CG 4.14Å; K90-R95 PolarHBondContact O-NE 3.43Å; K90-R95 PolarHBondContact O-NH2 3.46Å; S91-R95 PolarHBondContact O-N 2.85Å; S91-R95 VanDerWaalsContact O-N 3.14Å; L92-R95 WeakPolarHBondContact O-CB 3.5Å; L92-R95 PolarHBondContact O-N 2.9Å; R95-E98 PolarHBondContact O-N 2.69Å; R95-Y99 WeakPolarHBondContact O-CB 3.39Å; R95-Y99 PolarHBondContact O-N 3.22Å |
| 96 | E | 89.6 | Confident | 84.7 | Confident | 121 Ų | 121 | 113.8 Ų | 113.8 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64 | -43.2 | 177.1 | -70.9 | 177.4 | 154.9 | 0 | 0 | 112 | L92 Y99 A100 | L92-E96 HydrophobicContact CD2-CG 3.83Å; L92-E96 WeakPolarHBondContact CD2-OE1 3.36Å; L92-E96 PolarHBondContact O-N 3.26Å; E96-Y99 PolarHBondContact O-N 2.92Å; E96-A100 WeakPolarHBondContact O-CB 3.32Å; E96-A100 PolarHBondContact O-N 3.28Å |
| 97 | A | 88.8 | Confident | 86.5 | Confident | 62 Ų | 62 | 113 Ų | 113 | 51% | 0.512 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.8 | -45.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A93 Y99 A100 E101 | A93-A97 PolarHBondContact O-N 3.37Å; A93-A97 VanDerWaalsContact O-N 3.11Å; A97-Y99 VanDerWaalsContact C-N 3.35Å; A97-Y99 PolarHBondContact O-N 3.03Å; A97-A100 PolarHBondContact O-N 2.6Å; A97-E101 PolarHBondContact O-N 3.36Å |
| 98 | E | 91.4 | Very high | 87.2 | Confident | 99 Ų | 99 | 108.7 Ų | 108.7 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 176.8 | -176.2 | 174.7 | -178.4 | 0 | 0 | 111.6 | K90 Q94 R95 E101 A102 | K90-E98 IonicContact NZ-OE1 2.67Å; K90-E98 PolarHBondContact NZ-OE1 3Å; K90-E98 IonicContact NZ-OE2 3.36Å; K90-E98 PolarHBondContact NZ-OE2 2.87Å; Q94-E98 PolarHBondContact O-N 2.9Å; R95-E98 PolarHBondContact O-N 2.69Å; E98-E101 PolarHBondContact O-N 3.31Å; E98-A102 WeakPolarHBondContact O-CB 3.37Å; E98-A102 PolarHBondContact O-N 2.88Å |
| 99 | Y | 92.4 | Very high | 86.8 | Confident | 171 Ų | 171 | 107.5 Ų | 107.5 | 67% | 0.671 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.5 | -42.3 | 175.2 | -174.6 | -95.2 | 0 | 0 | 0 | 111.9 | R95 E96 A97 A102 R103 | R95-Y99 WeakPolarHBondContact O-CB 3.39Å; R95-Y99 PolarHBondContact O-N 3.22Å; E96-Y99 PolarHBondContact O-N 2.92Å; A97-Y99 VanDerWaalsContact C-N 3.35Å; A97-Y99 PolarHBondContact O-N 3.03Å; Y99-A102 PolarHBondContact O-N 3.24Å; Y99-R103 WeakPolarHBondContact O-CB 3.37Å; Y99-R103 PolarHBondContact O-N 3.5Å |
| 100 | A | 92.2 | Very high | 85.8 | Confident | 52 Ų | 52 | 106.3 Ų | 106.3 | 43% | 0.43 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.4 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | E96 A97 R103 R104 | E96-A100 WeakPolarHBondContact O-CB 3.32Å; E96-A100 PolarHBondContact O-N 3.28Å; A97-A100 PolarHBondContact O-N 2.6Å; A100-R103 PolarHBondContact O-N 3.5Å; A100-R104 WeakPolarHBondContact O-CG 3.41Å; A100-R104 PolarHBondContact O-N 3Å |
| 101 | E | 91.9 | Very high | 84.5 | Confident | 136 Ų | 136 | 105.1 Ų | 105.1 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.9 | -48.1 | 176 | -173.5 | -172.3 | -179.2 | 0 | 0 | 111.9 | A97 E98 R103 R104 R105 | A97-E101 PolarHBondContact O-N 3.36Å; E98-E101 PolarHBondContact O-N 3.31Å; E101-R103 VanDerWaalsContact C-N 3.3Å; E101-R103 PolarHBondContact O-N 3.11Å; E101-R104 WeakPolarHBondContact O-CB 3.34Å; E101-R104 PolarHBondContact O-N 2.93Å; E101-R104 VanDerWaalsContact O-N 3.13Å; E101-R105 PolarHBondContact O-N 3.13Å |
| 102 | A | 93.1 | Very high | 82.8 | Confident | 43 Ų | 43 | 106.2 Ų | 106.2 | 36% | 0.355 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.6 | -41.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E98 Y99 R105 I106 | E98-A102 WeakPolarHBondContact O-CB 3.37Å; E98-A102 PolarHBondContact O-N 2.88Å; Y99-A102 PolarHBondContact O-N 3.24Å; A102-R105 PolarHBondContact O-N 3.08Å; A102-I106 WeakPolarHBondContact O-CG1 3.49Å; A102-I106 PolarHBondContact O-N 3.13Å |
| 103 | R | 92.8 | Very high | 81.3 | Confident | 117 Ų | 117 | 108 Ų | 108 | 44% | 0.442 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.5 | -44.3 | 175.1 | -171.1 | 177.8 | -180 | -75.6 | -1 | 111.2 | Y99 A100 E101 R105 I106 L107 S111 | Y99-R103 WeakPolarHBondContact O-CB 3.37Å; Y99-R103 PolarHBondContact O-N 3.5Å; A100-R103 PolarHBondContact O-N 3.5Å; E101-R103 VanDerWaalsContact C-N 3.3Å; E101-R103 PolarHBondContact O-N 3.11Å; R103-R105 VanDerWaalsContact C-N 3.29Å; R103-R105 PolarHBondContact O-N 3.22Å; R103-I106 PolarHBondContact O-N 3.27Å; R103-L107 VanDerWaalsContact O-CB 3.26Å; R103-L107 WeakPolarHBondContact O-CB 3.43Å; R103-L107 PolarHBondContact O-N 3.37Å; R103-S111 PolarHBondContact NH1-OG 3.31Å; R103-S111 PolarHBondContact NH2-OG 3.48Å |
| 104 | R | 88.5 | Confident | 79.2 | Confident | 149 Ų | 149 | 112.7 Ų | 112.7 | 56% | 0.562 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.8 | -36.7 | 175.2 | -68.9 | -175.2 | 80.7 | 90 | 3.1 | 112 | A100 E101 G108 E113 | A100-R104 WeakPolarHBondContact O-CG 3.41Å; A100-R104 PolarHBondContact O-N 3Å; E101-R104 WeakPolarHBondContact O-CB 3.34Å; E101-R104 PolarHBondContact O-N 2.93Å; E101-R104 VanDerWaalsContact O-N 3.13Å; R104-G108 WeakPolarHBondContact O-CA 3.43Å; R104-G108 PolarHBondContact O-N 3.11Å; R104-E113 IonicContact NH1-OE2 3.48Å; R104-E113 PolarHBondContact NH1-OE2 3.29Å |
| 105 | R | 91.6 | Very high | 76.6 | Confident | 219 Ų | 219 | 112 Ų | 112 | 83% | 0.826 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.6 | -40.8 | 178.2 | -178.1 | 175 | 177.2 | 155 | 0.1 | 113.3 | E101 A102 R103 | E101-R105 PolarHBondContact O-N 3.13Å; A102-R105 PolarHBondContact O-N 3.08Å; R103-R105 VanDerWaalsContact C-N 3.29Å; R103-R105 PolarHBondContact O-N 3.22Å |
| 106 | I | 90.7 | Very high | 74.6 | Confident | 151 Ų | 151 | 110.9 Ų | 110.9 | 77% | 0.774 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -81.1 | -46.8 | -177.2 | -65.3 | 168.4 | 0 | 0 | 0 | 111.1 | A102 R103 | A102-I106 WeakPolarHBondContact O-CG1 3.49Å; A102-I106 PolarHBondContact O-N 3.13Å; R103-I106 PolarHBondContact O-N 3.27Å |
| 107 | L | 87 | Confident | 72.1 | Confident | 95 Ų | 95 | 111.8 Ų | 111.8 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -90.6 | -15.5 | -172.7 | -167.4 | 56.3 | 0 | 0 | 0 | 112.8 | R103 | R103-L107 VanDerWaalsContact O-CB 3.26Å; R103-L107 WeakPolarHBondContact O-CB 3.43Å; R103-L107 PolarHBondContact O-N 3.37Å |
| 108 | G | 77.5 | Confident | 69.9 | Low | 33 Ų | 33 | 115.6 Ų | 115.6 | 34% | 0.34 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | 68.5 | 172.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R104 A110 S111 | R104-G108 WeakPolarHBondContact O-CA 3.43Å; R104-G108 PolarHBondContact O-N 3.11Å; G108-A110 PolarHBondContact O-N 3.26Å; G108-S111 PolarHBondContact O-N 3.08Å |
| 109 | S | 59.1 | Low | 67.3 | Low | 114 Ų | 114 | 119.2 Ų | 119.2 | 80% | 0.797 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -66.1 | 8.1 | -179.7 | 48 | 0 | 0 | 0 | 0 | 115.3 | ||
| 110 | A | 54.3 | Low | 65.1 | Low | 97 Ų | 97 | 116.6 Ų | 116.6 | 80% | 0.802 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -85.2 | -14.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G108 S112 | G108-A110 PolarHBondContact O-N 3.26Å; A110-S112 VanDerWaalsContact C-N 3.31Å; A110-S112 PolarHBondContact O-N 3.01Å; A110-S112 VanDerWaalsContact O-N 3.13Å |
| 111 | S | 54.3 | Low | 62.8 | Low | 40 Ų | 40 | 125.5 Ų | 125.5 | 28% | 0.28 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -80.6 | 87.3 | 161.9 | -175.5 | 0 | 0 | 0 | 0 | 106.9 | R103 G108 E113 | R103-S111 PolarHBondContact NH1-OG 3.31Å; R103-S111 PolarHBondContact NH2-OG 3.48Å; G108-S111 PolarHBondContact O-N 3.08Å; S111-E113 PolarHBondContact O-N 3.15Å |
| 112 | S | 48.6 | Very low | 60.8 | Low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | trans | -48.1 | 133 | 170 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | A110 E114 | A110-S112 VanDerWaalsContact C-N 3.31Å; A110-S112 PolarHBondContact O-N 3.01Å; A110-S112 VanDerWaalsContact O-N 3.13Å; S112-E114 PolarHBondContact O-N 2.98Å | ||
| 113 | E | 52.3 | Low | 58.3 | Low | 145 Ų | 145 | 131.9 Ų | 131.9 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | trans | -40.4 | 114.1 | 162.2 | -165.7 | 78.9 | -148.1 | 0 | 0 | 109.4 | R104 S111 | R104-E113 IonicContact NH1-OE2 3.48Å; R104-E113 PolarHBondContact NH1-OE2 3.29Å; S111-E113 PolarHBondContact O-N 3.15Å | ||
| 114 | E | 45.2 | Very low | 56 | Low | 161 Ų | 161 | 136.8 Ų | 136.8 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | trans | -134.1 | 112.7 | 155.4 | -158.8 | -179.5 | 111.1 | 0 | 0 | 108.7 | S112 | S112-E114 PolarHBondContact O-N 2.98Š| ||
| 115 | T | 37.5 | Very low | 53.9 | Low | 91 Ų | 91 | 135.8 Ų | 135.8 | 56% | 0.558 | 72% | 0.717 | S | S | * | * | trans | -32.4 | 159.9 | 162.2 | 42.6 | 0 | 0 | 0 | 0 | 115.8 | Q117 | T115-Q117 PolarHBondContact O-N 2.67Š| ||
| 116 | P | 47.8 | Very low | 52 | Low | 131 Ų | 131 | 131.3 Ų | 131.3 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | trans | -65.2 | 100.6 | 170.7 | 30.3 | -33.5 | 0 | 0 | 0 | 109.5 | ||||
| 117 | Q | 37.2 | Very low | 49.8 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 65% | 0.654 | 72% | 0.721 | S | S | * | * | trans | -108.7 | 100.1 | 168.5 | -98.1 | -81.2 | -50.8 | 0 | 0 | 109.2 | T115 K119 | T115-Q117 PolarHBondContact O-N 2.67Å; Q117-K119 PolarHBondContact O-N 3.06Å | ||
| 118 | D | 42.9 | Very low | 47.9 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | trans | -48.7 | 108.9 | 149.7 | -172.4 | -21.3 | 0 | 0 | 0 | 110.1 | ||||
| 119 | K | 37.5 | Very low | 46.3 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | -169.6 | 146.8 | 152.5 | -124 | 64.5 | -175.4 | 179.8 | 0 | 112.5 | Q117 | Q117-K119 PolarHBondContact O-N 3.06Š| ||
| 120 | P | 44.3 | Very low | 45.4 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | -88.9 | 162.8 | -169.1 | 35.3 | -28.7 | 0 | 0 | 0 | 114 | ||||
| 121 | R | 44.5 | Very low | 44.8 | Very low | 239 Ų | 239 | 145.2 Ų | 145.2 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -37.9 | 161.8 | -177.3 | -55.7 | 179.5 | -178.2 | -154.2 | -0.3 | 116.6 | ||||
| 122 | P | 49.5 | Very low | 44.9 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | -143 | -179.6 | 105.8 | 31.3 | -11.4 | 0 | 0 | 0 | 115.7 | |||||
| 123 | E | 41.5 | Very low | 44.8 | Very low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -61.5 | 150.9 | -161.3 | -60.4 | -178.6 | 124.4 | 0 | 0 | 119.9 | ||||
| 124 | R | 43.7 | Very low | 44.5 | Very low | 221 Ų | 221 | 149.5 Ų | 149.5 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | 1.8 | 149.3 | 142.2 | -65.6 | -162.3 | -161.2 | 121.5 | -2.9 | 119.1 | ||||
| 125 | P | 46 | Very low | 44.8 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | -145.3 | 162.2 | 65.2 | 37.4 | -16.5 | 0 | 0 | 0 | 119 | |||||
| 126 | V | 50.3 | Low | 45.3 | Very low | 124 Ų | 124 | 151 Ų | 151 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -59.1 | 133.7 | 171.3 | 168.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 127 | R | 44.8 | Very low | 45.2 | Very low | 247 Ų | 247 | 152.4 Ų | 152.4 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -136.5 | 127.3 | 157.4 | -107.7 | -169.3 | -177.5 | -143.6 | 2.4 | 111.1 | ||||
| 128 | V | 47 | Very low | 45.7 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -91.1 | 151.7 | 177.6 | -83.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 129 | S | 43.4 | Very low | 46.2 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 97.7 | 135.6 | 154.1 | -155.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 130 | A | 41.5 | Very low | 46.9 | Very low | 101 Ų | 101 | 147.5 Ų | 147.5 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 92.6 | 115.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 131 | Q | 40.7 | Very low | 47.4 | Very low | 182 Ų | 182 | 148.1 Ų | 148.1 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -103.1 | 169.4 | 170.1 | 175.7 | 178.7 | -37.7 | 0 | 0 | 109.2 | ||||
| 132 | P | 57 | Low | 48 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | cis | -126.5 | -163.9 | -38.9 | 37.6 | -18.5 | 0 | 0 | 0 | 112.9 | ||||
| 133 | P | 46.1 | Very low | 48.8 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | -134.3 | 144.2 | 102.4 | 37 | -26.4 | 0 | 0 | 0 | 115.2 | |||||
| 134 | Q | 45.5 | Very low | 49.9 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | trans | -86.4 | 161.9 | 164.7 | -80.8 | -81.1 | -42.8 | 0 | 0 | 110.1 | ||||
| 135 | P | 51.5 | Low | 51.2 | Low | 125 Ų | 125 | 134.7 Ų | 134.7 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | -135.4 | 125.9 | 101.4 | 33.5 | -19.8 | 0 | 0 | 0 | 114.7 | |||||
| 136 | E | 48.9 | Very low | 52.4 | Low | 157 Ų | 157 | 138.8 Ų | 138.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | 17.2 | 121.8 | 142.2 | -56.1 | -168.4 | 147.8 | 0 | 0 | 120.7 | ||||
| 137 | L | 46.2 | Very low | 53.8 | Low | 161 Ų | 161 | 138 Ų | 138 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | -152.9 | 89 | 112 | -98.6 | 171.1 | 0 | 0 | 0 | 109.3 | S139 | L137-S139 PolarHBondContact O-N 2.95Å; L137-S139 VanDerWaalsContact O-N 3.12Å | |||
| 138 | V | 47.8 | Very low | 55.3 | Low | 108 Ų | 108 | 131.5 Ų | 131.5 | 66% | 0.655 | 73% | 0.729 | S | S | * | * | trans | 37.3 | 63.6 | 135.4 | -53.6 | 0 | 0 | 0 | 0 | 118.3 | L140 | V138-L140 PolarHBondContact O-N 3.29Š| ||
| 139 | S | 52.4 | Low | 56.7 | Low | 119 Ų | 119 | 129.5 Ų | 129.5 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | -92.4 | 75.5 | 140 | -162.1 | 0 | 0 | 0 | 0 | 106.6 | L137 N141 | L137-S139 PolarHBondContact O-N 2.95Å; L137-S139 VanDerWaalsContact O-N 3.12Å; S139-N141 PolarHBondContact O-N 2.91Å | ||
| 140 | L | 53 | Low | 58.3 | Low | 127 Ų | 127 | 124.7 Ų | 124.7 | 67% | 0.665 | 69% | 0.687 | S | S | * | * | trans | -41.6 | 118.9 | 160.6 | -90.3 | 160.8 | 0 | 0 | 0 | 105.3 | V138 N142 | V138-L140 PolarHBondContact O-N 3.29Å; L140-N142 WeakPolarHBondContact O-CB 3.41Å; L140-N142 PolarHBondContact O-N 2.86Å | ||
| 141 | N | 53.6 | Low | 60.3 | Low | 131 Ų | 131 | 127 Ų | 127 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | trans | -65.7 | 73.5 | -176.8 | -148.6 | -14.2 | 0 | 0 | 0 | 107.5 | S139 H143 | S139-N141 PolarHBondContact O-N 2.91Å; N141-H143 PolarHBondContact O-N 3.13Å; N141-H143 PolarHBondContact O-ND1 2.8Å; N141-H143 PolarHBondContact OD1-CE1 2.99Å; N141-H143 PolarHBondContact OD1-ND1 3Å | ||
| 142 | N | 58.8 | Low | 62 | Low | 122 Ų | 122 | 123.7 Ų | 123.7 | 65% | 0.652 | 68% | 0.681 | S | S | * | * | trans | -79.1 | 73.8 | -173.3 | -92.2 | -37.3 | 0 | 0 | 0 | 105.7 | L140 V144 | L140-N142 WeakPolarHBondContact O-CB 3.41Å; L140-N142 PolarHBondContact O-N 2.86Å; N142-V144 HydrophobicContact CB-CG2 3.97Å; N142-V144 PolarHBondContact O-N 3.14Å | ||
| 143 | H | 64.5 | Low | 63 | Low | 147 Ų | 147 | 121.8 Ų | 121.8 | 68% | 0.681 | 68% | 0.679 | S | S | * | * | trans | -68 | 57.9 | 162.3 | -63.6 | 93.7 | 0 | 0 | 0 | 109.1 | N141 I145 | N141-H143 PolarHBondContact O-N 3.13Å; N141-H143 PolarHBondContact O-ND1 2.8Å; N141-H143 PolarHBondContact OD1-CE1 2.99Å; N141-H143 PolarHBondContact OD1-ND1 3Å; H143-I145 VanDerWaalsContact C-N 3.26Å; H143-I145 PolarHBondContact O-N 3.47Å | ||
| 144 | V | 65.4 | Low | 64.3 | Low | 83 Ų | 83 | 119 Ų | 119 | 50% | 0.503 | 66% | 0.659 | S | S | . | * | trans | -75.6 | 88 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 106.2 | N142 R146 | N142-V144 HydrophobicContact CB-CG2 3.97Å; N142-V144 PolarHBondContact O-N 3.14Å; V144-R146 VanDerWaalsContact C-N 3.3Å; V144-R146 HydrophobicContact CG1-CG 3.77Å; V144-R146 PolarHBondContact O-N 3.19Å | ||
| 145 | I | 71.4 | Confident | 65.6 | Low | 138 Ų | 138 | 116.2 Ų | 116.2 | 71% | 0.708 | 65% | 0.649 | S | S | * | * | trans | -68.3 | 93.4 | 167.8 | -56.7 | -178.6 | 0 | 0 | 0 | 106.7 | H143 Q147 | H143-I145 VanDerWaalsContact C-N 3.26Å; H143-I145 PolarHBondContact O-N 3.47Å; I145-Q147 PolarHBondContact O-N 3.07Å | ||
| 146 | R | 71.7 | Confident | 66.7 | Low | 214 Ų | 214 | 112.5 Ų | 112.5 | 81% | 0.808 | 63% | 0.634 | S | S | * | * | trans | -72.8 | 114.1 | 175.1 | -66.2 | -172 | 177.7 | -90.6 | -0.8 | 108.6 | V144 | V144-R146 VanDerWaalsContact C-N 3.3Å; V144-R146 HydrophobicContact CG1-CG 3.77Å; V144-R146 PolarHBondContact O-N 3.19Å | ||
| 147 | Q | 78.8 | Confident | 67.6 | Low | 107 Ų | 107 | 115 Ų | 115 | 50% | 0.5 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 137.2 | 170.3 | -65.9 | -65.9 | -49.3 | 0 | 0 | 108.8 | I145 T149 | I145-Q147 PolarHBondContact O-N 3.07Å; Q147-T149 PolarHBondContact O-N 3.39Å |
| 148 | P | 76.6 | Confident | 68.5 | Low | 111 Ų | 111 | 114.1 Ų | 114.1 | 72% | 0.721 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 127.8 | 177.4 | 23.8 | -32.4 | 0 | 0 | 0 | 109.4 | ||
| 149 | T | 76.8 | Confident | 69.2 | Low | 88 Ų | 88 | 120.5 Ų | 120.5 | 54% | 0.54 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -86.6 | 139 | 178 | -44.4 | 0 | 0 | 0 | 0 | 108.5 | Q147 G153 T154 | Q147-T149 PolarHBondContact O-N 3.39Å; T149-G153 WeakPolarHBondContact CG2-O 3.42Å; T149-T154 WeakPolarHBondContact CG2-O 3.46Å |
| 150 | G | 76.9 | Confident | 69.4 | Low | 22 Ų | 22 | 125.4 Ų | 125.4 | 23% | 0.227 | 64% | 0.642 | C | S | . | * | P | Polyproline II helix | trans | -63.4 | 161.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D152 G153 T154 | G150-D152 WeakPolarHBondContact CA-OD1 3.37Å; G150-D152 PolarHBondContact O-N 3.27Å; G150-D152 VanDerWaalsContact O-N 3.08Å; G150-G153 PolarHBondContact O-N 3.35Å; G150-T154 PolarHBondContact N-O 3.03Å |
| 151 | P | 82.4 | Confident | 69.2 | Low | 150 Ų | 150 | 134.6 Ų | 134.6 | 97% | 0.974 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -14.8 | 175.9 | 27.4 | -35.4 | 0 | 0 | 0 | 113.4 | ||
| 152 | D | 77.8 | Confident | 70 | Confident | 111 Ų | 111 | 134.8 Ų | 134.8 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 4 | 174.7 | 61.2 | -10.3 | 0 | 0 | 0 | 113.4 | G150 T154 | G150-D152 WeakPolarHBondContact CA-OD1 3.37Å; G150-D152 PolarHBondContact O-N 3.27Å; G150-D152 VanDerWaalsContact O-N 3.08Å; D152-T154 VanDerWaalsContact C-N 3.26Å; D152-T154 HydrophobicContact CB-CG2 4.33Å; D152-T154 VanDerWaalsContact CG-OG1 3.25Å; D152-T154 PolarHBondContact O-N 3.28Å; D152-T154 WeakPolarHBondContact OD1-CB 3.44Å; D152-T154 PolarHBondContact OD1-N 3.29Å; D152-T154 PolarHBondContact OD1-OG1 3.48Å; D152-T154 WeakPolarHBondContact OD2-CG2 3.15Å; D152-T154 PolarHBondContact OD2-OG1 2.82Å; D152-T154 VanDerWaalsContact OD2-OG1 3.08Å |
| 153 | G | 76.8 | Confident | 70.6 | Confident | 54 Ų | 54 | 135.4 Ų | 135.4 | 56% | 0.557 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 78.6 | 4.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T149 G150 | T149-G153 WeakPolarHBondContact CG2-O 3.42Å; G150-G153 PolarHBondContact O-N 3.35Å |
| 154 | T | 74.6 | Confident | 70.9 | Confident | 67 Ų | 67 | 134.8 Ų | 134.8 | 41% | 0.411 | 67% | 0.666 | S | S | . | * | trans | -82.9 | 152.9 | -177.5 | 69.1 | 0 | 0 | 0 | 0 | 112 | T149 G150 D152 G156 | T149-T154 WeakPolarHBondContact CG2-O 3.46Å; G150-T154 PolarHBondContact N-O 3.03Å; D152-T154 VanDerWaalsContact C-N 3.26Å; D152-T154 HydrophobicContact CB-CG2 4.33Å; D152-T154 VanDerWaalsContact CG-OG1 3.25Å; D152-T154 PolarHBondContact O-N 3.28Å; D152-T154 WeakPolarHBondContact OD1-CB 3.44Å; D152-T154 PolarHBondContact OD1-N 3.29Å; D152-T154 PolarHBondContact OD1-OG1 3.48Å; D152-T154 WeakPolarHBondContact OD2-CG2 3.15Å; D152-T154 PolarHBondContact OD2-OG1 2.82Å; D152-T154 VanDerWaalsContact OD2-OG1 3.08Å; T154-G156 PolarHBondContact O-N 3.47Å; T154-G156 VanDerWaalsContact O-N 3.1Å | ||
| 155 | L | 71.3 | Confident | 71.3 | Confident | 99 Ų | 99 | 137.8 Ų | 137.8 | 52% | 0.518 | 68% | 0.676 | S | S | . | * | trans | -79.1 | 19.1 | 179.5 | -65.5 | 169.5 | 0 | 0 | 0 | 113.5 | R158 | L155-R158 VanDerWaalsContact CD1-NH2 3.26Š| ||
| 156 | G | 75.1 | Confident | 71.3 | Confident | 47 Ų | 47 | 137.8 Ų | 137.8 | 49% | 0.485 | 67% | 0.674 | S | S | . | * | trans | 56.9 | -139.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T154 R158 | T154-G156 PolarHBondContact O-N 3.47Å; T154-G156 VanDerWaalsContact O-N 3.1Å; G156-R158 VanDerWaalsContact C-N 3.29Å; G156-R158 PolarHBondContact O-N 3.44Å | ||
| 157 | F | 67.6 | Low | 71.2 | Confident | 208 Ų | 208 | 132.7 Ų | 132.7 | 91% | 0.912 | 67% | 0.665 | S | S | * | * | trans | -70.7 | 66.5 | -169.4 | -59 | -82 | 0 | 0 | 0 | 114.4 | ||||
| 158 | R | 65.8 | Low | 70.7 | Confident | 143 Ų | 143 | 134.6 Ų | 134.6 | 54% | 0.54 | 68% | 0.676 | S | S | . | * | trans | -100.4 | 68 | 156.6 | -61.4 | -172.3 | -136.6 | -79.4 | 2.2 | 109.1 | L155 G156 | L155-R158 VanDerWaalsContact CD1-NH2 3.26Å; G156-R158 VanDerWaalsContact C-N 3.29Å; G156-R158 PolarHBondContact O-N 3.44Å | ||
| 159 | R | 61.5 | Low | 70.2 | Confident | 243 Ų | 243 | 136.4 Ų | 136.4 | 92% | 0.917 | 67% | 0.673 | S | S | * | * | trans | -109.8 | 76.5 | 165.9 | -71.6 | -165.8 | 166.8 | -177.1 | -2.4 | 107.9 | ||||
| 160 | Y | 57.7 | Low | 69.7 | Low | 222 Ų | 222 | 140.4 Ų | 140.4 | 87% | 0.871 | 68% | 0.684 | S | S | * | * | trans | -90.6 | 114 | 163.8 | -69.9 | -74.9 | 0 | 0 | 0 | 108.1 | ||||
| 161 | R | 48.8 | Very low | 69 | Low | 319 Ų | 319 | 151.2 Ų | 151.2 | 100% | 1.204 | 73% | 0.726 | S | S | * | * | trans | -138.9 | 0 | 151.1 | -152.4 | -165.1 | -128.1 | -149.1 | 5.5 | 107.2 |
Retrieved 161 of 161 residues in 615.3 ms
(Link to these results)