| 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 | 57.6 | Low | 62.5 | Low | 243 Ų | 243 | 144.8 Ų | 144.8 | 100% | 1.197 | 79% | 0.786 | S | S | * | * | 0 | 110.6 | 0 | -80.1 | 164 | 156 | 0 | 0 | 107.7 | |||||
| 2 | F | 57.1 | Low | 61.4 | Low | 194 Ų | 194 | 145.2 Ų | 145.2 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -109.7 | 110.5 | 167 | -74.6 | -81.5 | 0 | 0 | 0 | 105.7 | ||||
| 3 | S | 69 | Low | 61 | Low | 105 Ų | 105 | 142.5 Ų | 142.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -88.5 | 104.5 | 171.5 | -147.1 | 0 | 0 | 0 | 0 | 106 | D5 | S3-D5 PolarHBondContact OG-OD1 3.06Š| ||
| 4 | S | 69 | Low | 60.5 | Low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -95.1 | 98.3 | 167.2 | -62.8 | 0 | 0 | 0 | 0 | 106.2 | Y6 | S4-Y6 PolarHBondContact O-N 2.91Š| ||
| 5 | D | 68.3 | Low | 60.1 | Low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -73.6 | 98.8 | 171 | -61.2 | -23.7 | 0 | 0 | 0 | 106.6 | S3 D7 | S3-D5 PolarHBondContact OG-OD1 3.06Å; D5-D7 PolarHBondContact O-N 2.86Å | ||
| 6 | Y | 68.7 | Low | 59.6 | Low | 213 Ų | 213 | 135.1 Ų | 135.1 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -73.3 | 106.9 | 170.4 | -168.8 | -97.5 | 0 | 0 | 0 | 107 | S4 G8 | S4-Y6 PolarHBondContact O-N 2.91Å; Y6-G8 PolarHBondContact O-N 2.84Å | ||
| 7 | D | 72.5 | Confident | 59.2 | Low | 163 Ų | 163 | 133.3 Ų | 133.3 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -72.3 | 86.9 | 173.1 | -154.5 | 6.6 | 0 | 0 | 0 | 107.5 | D5 C9 | D5-D7 PolarHBondContact O-N 2.86Å; D7-C9 PolarHBondContact O-N 3.41Å | ||
| 8 | G | 55.3 | Low | 58.6 | Low | 40 Ų | 40 | 133.6 Ų | 133.6 | 41% | 0.412 | 77% | 0.769 | S | S | . | * | trans | -57.3 | 118.6 | -179 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y6 E10 | Y6-G8 PolarHBondContact O-N 2.84Å; G8-E10 PolarHBondContact O-N 3.36Å | ||
| 9 | C | 60.5 | Low | 58.1 | Low | 108 Ų | 108 | 131.8 Ų | 131.8 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | -67.2 | 88.1 | 154.6 | 177.7 | 0 | 0 | 0 | 0 | 107.2 | D7 S11 | D7-C9 PolarHBondContact O-N 3.41Å; C9-S11 PolarHBondContact O-N 3.14Å; C9-S11 PolarHBondContact SG-OG 2.86Å | ||
| 10 | E | 53.6 | Low | 57.5 | Low | 187 Ų | 187 | 131.7 Ų | 131.7 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -69.2 | 69 | 160.9 | -60.2 | -174.2 | 162.7 | 0 | 0 | 108 | G8 | G8-E10 PolarHBondContact O-N 3.36Š| ||
| 11 | S | 56 | Low | 56.9 | Low | 84 Ų | 84 | 136 Ų | 136 | 59% | 0.587 | 78% | 0.775 | S | S | * | * | trans | -103.5 | 81.5 | 159.6 | -67.7 | 0 | 0 | 0 | 0 | 106.7 | C9 S13 | C9-S11 PolarHBondContact O-N 3.14Å; C9-S11 PolarHBondContact SG-OG 2.86Å; S11-S13 PolarHBondContact O-N 3.49Å | ||
| 12 | D | 49.5 | Very low | 56.5 | Low | 149 Ų | 149 | 129.8 Ų | 129.8 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -53.2 | 88.4 | 153.6 | -76.5 | -32.6 | 0 | 0 | 0 | 107.3 | S14 | D12-S14 PolarHBondContact O-N 2.87Š| ||
| 13 | S | 56 | Low | 56.4 | Low | 110 Ų | 110 | 126.4 Ų | 126.4 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -72.1 | 74.4 | 163.4 | -68.6 | 0 | 0 | 0 | 0 | 106.8 | S11 S15 | S11-S13 PolarHBondContact O-N 3.49Å; S13-S15 PolarHBondContact O-N 2.92Å | ||
| 14 | S | 54.4 | Low | 55.6 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | -64 | 86.6 | 158.4 | -65.6 | 0 | 0 | 0 | 0 | 106.4 | D12 S16 | D12-S14 PolarHBondContact O-N 2.87Å; S14-S16 PolarHBondContact O-N 3.02Å | ||
| 15 | S | 54.4 | Low | 55.2 | Low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -68.7 | 85.6 | 170.5 | -167 | 0 | 0 | 0 | 0 | 107.6 | S13 S17 | S13-S15 PolarHBondContact O-N 2.92Å; S15-S17 VanDerWaalsContact C-N 3.25Å; S15-S17 PolarHBondContact O-N 3.42Å; S15-S17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | S | 51.5 | Low | 54.7 | Low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | trans | -75.6 | 79.8 | 164.5 | 167.8 | 0 | 0 | 0 | 0 | 107.8 | S14 D18 | S14-S16 PolarHBondContact O-N 3.02Å; S16-D18 PolarHBondContact O-N 3.33Å | ||
| 17 | S | 53.2 | Low | 54.6 | Low | 105 Ų | 105 | 121 Ų | 121 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | -89.8 | 89 | 164.4 | 47.2 | 0 | 0 | 0 | 0 | 109.3 | S15 | S15-S17 VanDerWaalsContact C-N 3.25Å; S15-S17 PolarHBondContact O-N 3.42Å; S15-S17 VanDerWaalsContact O-N 3.14Å | ||
| 18 | D | 47.8 | Very low | 54.3 | Low | 139 Ų | 139 | 116 Ų | 116 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | trans | -63.7 | 136.1 | 160.9 | -96.6 | -35.8 | 0 | 0 | 0 | 110.3 | S16 | S16-D18 PolarHBondContact O-N 3.33Š| ||
| 19 | S | 49 | Very low | 55 | Low | 99 Ų | 99 | 118.5 Ų | 118.5 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | trans | 65.2 | 89.8 | 152.3 | 70.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 20 | C | 46.9 | Very low | 55.4 | Low | 129 Ų | 129 | 118.9 Ų | 118.9 | 87% | 0.872 | 68% | 0.678 | S | S | * | * | -167.1 | 102.9 | 118.9 | 46.9 | 0 | 0 | 0 | 0 | 108.9 | D22 | C20-D22 PolarHBondContact O-N 2.93Š| |||
| 21 | Y | 44.6 | Very low | 56.3 | Low | 223 Ų | 223 | 114.4 Ų | 114.4 | 88% | 0.875 | 66% | 0.659 | S | S | * | * | trans | -64 | 104.6 | 172.5 | -71.8 | -90.6 | 0 | 0 | 0 | 109.3 | ||||
| 22 | D | 49.5 | Very low | 57.4 | Low | 113 Ų | 113 | 114.1 Ų | 114.1 | 60% | 0.604 | 66% | 0.657 | S | S | * | * | trans | -109.1 | 101.8 | 153.2 | -154.3 | -16.5 | 0 | 0 | 0 | 106.7 | C20 R24 S25 | C20-D22 PolarHBondContact O-N 2.93Å; D22-R24 PolarHBondContact O-N 2.74Å; D22-S25 VanDerWaalsContact O-CB 3.26Å; D22-S25 WeakPolarHBondContact O-CB 3.26Å; D22-S25 PolarHBondContact O-N 2.91Å | ||
| 23 | N | 54 | Low | 59.1 | Low | 123 Ų | 123 | 114 Ų | 114 | 66% | 0.658 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -58.6 | -10.4 | -178 | -84.5 | -31.5 | 0 | 0 | 0 | 112.9 | S25 | N23-S25 VanDerWaalsContact C-N 3.32Å |
| 24 | R | 53.7 | Low | 60.5 | Low | 214 Ų | 214 | 111.5 Ų | 111.5 | 81% | 0.808 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.9 | -24.7 | 170.9 | -131.1 | 172.1 | -171.5 | 169.6 | 1.9 | 113.4 | D22 | D22-R24 PolarHBondContact O-N 2.74Å |
| 25 | S | 59.7 | Low | 62.2 | Low | 70 Ų | 70 | 113.1 Ų | 113.1 | 49% | 0.49 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71 | -36.9 | 179.4 | -179.5 | 0 | 0 | 0 | 0 | 112.5 | D22 N23 N27 A28 V29 | D22-S25 VanDerWaalsContact O-CB 3.26Å; D22-S25 WeakPolarHBondContact O-CB 3.26Å; D22-S25 PolarHBondContact O-N 2.91Å; N23-S25 VanDerWaalsContact C-N 3.32Å; S25-N27 PolarHBondContact O-N 3.27Å; S25-A28 WeakPolarHBondContact O-CB 3.29Å; S25-A28 PolarHBondContact O-N 3.44Å; S25-V29 WeakPolarHBondContact O-CG2 3.07Å; S25-V29 PolarHBondContact O-N 2.88Å |
| 26 | V | 57.1 | Low | 63.8 | Low | 76 Ų | 76 | 110.5 Ų | 110.5 | 46% | 0.461 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.4 | -44.3 | -176.1 | -167.1 | 0 | 0 | 0 | 0 | 111.2 | A28 V29 E30 | V26-A28 VanDerWaalsContact C-N 3.34Å; V26-A28 PolarHBondContact O-N 2.85Å; V26-V29 PolarHBondContact O-N 2.81Å; V26-E30 WeakPolarHBondContact O-CB 3.32Å; V26-E30 WeakPolarHBondContact O-CG 3.47Å; V26-E30 PolarHBondContact O-N 2.99Å |
| 27 | N | 66.6 | Low | 65.6 | Low | 100 Ų | 100 | 110.6 Ų | 110.6 | 54% | 0.535 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.6 | -38.4 | 174.1 | -86.3 | -43.7 | 0 | 0 | 0 | 112.3 | S25 E30 I31 | S25-N27 PolarHBondContact O-N 3.27Å; N27-E30 PolarHBondContact O-N 3.49Å; N27-I31 VanDerWaalsContact O-CB 3.29Å; N27-I31 WeakPolarHBondContact O-CB 3.41Å; N27-I31 VanDerWaalsContact O-CD1 3.3Å; N27-I31 WeakPolarHBondContact O-CD1 3.48Å; N27-I31 WeakPolarHBondContact O-CG1 3.42Å; N27-I31 PolarHBondContact O-N 3.47Å |
| 28 | A | 66.7 | Low | 67.5 | Low | 58 Ų | 58 | 111.4 Ų | 111.4 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.2 | -40.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | S25 V26 S32 | S25-A28 WeakPolarHBondContact O-CB 3.29Å; S25-A28 PolarHBondContact O-N 3.44Å; V26-A28 VanDerWaalsContact C-N 3.34Å; V26-A28 PolarHBondContact O-N 2.85Å; A28-S32 VanDerWaalsContact O-CB 3.32Å; A28-S32 WeakPolarHBondContact O-CB 3.3Å; A28-S32 PolarHBondContact O-N 3.25Å |
| 29 | V | 70.1 | Confident | 69.6 | Low | 93 Ų | 93 | 111 Ų | 111 | 56% | 0.564 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.6 | -43.9 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | S25 V26 S32 K33 | S25-V29 WeakPolarHBondContact O-CG2 3.07Å; S25-V29 PolarHBondContact O-N 2.88Å; V26-V29 PolarHBondContact O-N 2.81Å; V29-S32 PolarHBondContact O-N 2.96Å; V29-K33 WeakPolarHBondContact O-CB 3.44Å; V29-K33 PolarHBondContact O-N 3.31Å |
| 30 | E | 70.1 | Confident | 71.6 | Confident | 116 Ų | 116 | 110.6 Ų | 110.6 | 54% | 0.542 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.3 | -42.4 | 176.8 | -74.4 | -177.9 | 175.1 | 0 | 0 | 112.4 | V26 N27 S32 K33 A34 | V26-E30 WeakPolarHBondContact O-CB 3.32Å; V26-E30 WeakPolarHBondContact O-CG 3.47Å; V26-E30 PolarHBondContact O-N 2.99Å; N27-E30 PolarHBondContact O-N 3.49Å; E30-S32 VanDerWaalsContact C-N 3.31Å; E30-S32 PolarHBondContact O-N 2.91Å; E30-K33 PolarHBondContact O-N 3.27Å; E30-A34 WeakPolarHBondContact O-CB 3.31Å; E30-A34 PolarHBondContact O-N 3.48Å |
| 31 | I | 72.1 | Confident | 73.9 | Confident | 92 Ų | 92 | 110.8 Ų | 110.8 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.8 | -41 | 174.1 | -68.7 | 163.6 | 0 | 0 | 0 | 110.2 | N27 K33 A34 K35 | N27-I31 VanDerWaalsContact O-CB 3.29Å; N27-I31 WeakPolarHBondContact O-CB 3.41Å; N27-I31 VanDerWaalsContact O-CD1 3.3Å; N27-I31 WeakPolarHBondContact O-CD1 3.48Å; N27-I31 WeakPolarHBondContact O-CG1 3.42Å; N27-I31 PolarHBondContact O-N 3.47Å; I31-K33 VanDerWaalsContact C-N 3.34Å; I31-A34 PolarHBondContact O-N 3.08Å; I31-K35 HydrophobicContact CG2-CD 4.18Å; I31-K35 WeakPolarHBondContact O-CB 3.44Å; I31-K35 VanDerWaalsContact O-CG 3.31Å; I31-K35 WeakPolarHBondContact O-CG 3.43Å; I31-K35 PolarHBondContact O-N 3.29Å |
| 32 | S | 79.2 | Confident | 76.2 | Confident | 78 Ų | 78 | 104.6 Ų | 104.6 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.4 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | A28 V29 E30 K35 A36 | A28-S32 VanDerWaalsContact O-CB 3.32Å; A28-S32 WeakPolarHBondContact O-CB 3.3Å; A28-S32 PolarHBondContact O-N 3.25Å; V29-S32 PolarHBondContact O-N 2.96Å; E30-S32 VanDerWaalsContact C-N 3.31Å; E30-S32 PolarHBondContact O-N 2.91Å; S32-K35 PolarHBondContact O-N 2.87Å; S32-A36 WeakPolarHBondContact O-CB 3.39Å; S32-A36 PolarHBondContact O-N 3Å |
| 33 | K | 84.3 | Confident | 78.2 | Confident | 146 Ų | 146 | 104.5 Ų | 104.5 | 64% | 0.635 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.8 | -43.4 | 176.7 | -171.7 | 177.8 | 179.1 | -179.2 | 0 | 111.7 | V29 E30 I31 K35 A36 M37 | V29-K33 WeakPolarHBondContact O-CB 3.44Å; V29-K33 PolarHBondContact O-N 3.31Å; E30-K33 PolarHBondContact O-N 3.27Å; I31-K33 VanDerWaalsContact C-N 3.34Å; K33-K35 PolarHBondContact O-N 3.49Å; K33-A36 PolarHBondContact O-N 2.97Å; K33-M37 WeakPolarHBondContact O-CG 3.47Å; K33-M37 PolarHBondContact O-N 2.83Å |
| 34 | A | 86.8 | Confident | 80 | Confident | 59 Ų | 59 | 103.3 Ų | 103.3 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E30 I31 M37 E38 | E30-A34 WeakPolarHBondContact O-CB 3.31Å; E30-A34 PolarHBondContact O-N 3.48Å; I31-A34 PolarHBondContact O-N 3.08Å; A34-M37 PolarHBondContact O-N 3.05Å; A34-E38 PolarHBondContact O-N 2.96Å |
| 35 | K | 88.1 | Confident | 81.9 | Confident | 136 Ų | 136 | 99.5 Ų | 99.5 | 59% | 0.591 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.5 | -37.4 | 175.1 | -75.1 | 179.5 | 178.2 | -177.9 | 0 | 113.1 | I31 S32 K33 E38 F39 | I31-K35 HydrophobicContact CG2-CD 4.18Å; I31-K35 WeakPolarHBondContact O-CB 3.44Å; I31-K35 VanDerWaalsContact O-CG 3.31Å; I31-K35 WeakPolarHBondContact O-CG 3.43Å; I31-K35 PolarHBondContact O-N 3.29Å; S32-K35 PolarHBondContact O-N 2.87Å; K33-K35 PolarHBondContact O-N 3.49Å; K35-E38 PolarHBondContact O-N 2.89Å; K35-F39 PolarHBondContact O-N 2.87Å; K35-F39 VanDerWaalsContact O-N 3.08Å |
| 36 | A | 88.2 | Confident | 83.4 | Confident | 49 Ų | 49 | 101.9 Ų | 101.9 | 41% | 0.405 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | S32 K33 F39 D40 | S32-A36 WeakPolarHBondContact O-CB 3.39Å; S32-A36 PolarHBondContact O-N 3Å; K33-A36 PolarHBondContact O-N 2.97Å; A36-F39 PolarHBondContact O-N 3.18Å; A36-D40 PolarHBondContact O-N 3.27Å |
| 37 | M | 90.4 | Very high | 85.1 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 52% | 0.517 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 175.9 | -69 | -179.7 | 66.8 | 0 | 0 | 112.5 | K33 A34 F39 D40 E41 | K33-M37 WeakPolarHBondContact O-CG 3.47Å; K33-M37 PolarHBondContact O-N 2.83Å; A34-M37 PolarHBondContact O-N 3.05Å; M37-F39 VanDerWaalsContact C-N 3.32Å; M37-F39 PolarHBondContact O-N 2.96Å; M37-D40 PolarHBondContact O-N 2.94Å; M37-E41 WeakPolarHBondContact O-CG 3.47Å; M37-E41 PolarHBondContact O-N 3.34Å |
| 38 | E | 92.7 | Very high | 86.2 | Confident | 122 Ų | 122 | 101.9 Ų | 101.9 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 174.9 | -173.2 | -178 | -178.2 | 0 | 0 | 111.9 | A34 K35 L42 | A34-E38 PolarHBondContact O-N 2.96Å; K35-E38 PolarHBondContact O-N 2.89Å; E38-L42 PolarHBondContact O-N 3.2Å |
| 39 | F | 92.4 | Very high | 87.4 | Confident | 129 Ų | 129 | 103.1 Ų | 103.1 | 57% | 0.566 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.8 | -44.6 | 175.4 | -179.9 | -96.1 | 0 | 0 | 0 | 112.2 | K35 A36 M37 E41 L42 M43 | K35-F39 PolarHBondContact O-N 2.87Å; K35-F39 VanDerWaalsContact O-N 3.08Å; A36-F39 PolarHBondContact O-N 3.18Å; M37-F39 VanDerWaalsContact C-N 3.32Å; M37-F39 PolarHBondContact O-N 2.96Å; F39-E41 VanDerWaalsContact C-N 3.33Å; F39-E41 PolarHBondContact O-N 3Å; F39-L42 PolarHBondContact O-N 3.47Å; F39-M43 HydrophobicContact CD1-CG 4.17Å; F39-M43 HydrophobicContact CE1-CG 3.68Å; F39-M43 HydrophobicContact CE2-CG 4.45Å; F39-M43 HydrophobicContact CZ-CG 3.85Å; F39-M43 HydrophobicContact CZ-SD 4.29Å; F39-M43 WeakPolarHBondContact O-CB 3.45Å; F39-M43 PolarHBondContact O-N 3.46Å |
| 40 | D | 90.9 | Very high | 88.2 | Confident | 91 Ų | 91 | 104.3 Ų | 104.3 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 177.2 | -72.9 | -21 | 0 | 0 | 0 | 111.7 | A36 M37 M43 N44 | A36-D40 PolarHBondContact O-N 3.27Å; M37-D40 PolarHBondContact O-N 2.94Å; D40-M43 PolarHBondContact O-N 3.06Å; D40-N44 WeakPolarHBondContact O-CB 3.48Å; D40-N44 VanDerWaalsContact O-CG 3.29Å; D40-N44 PolarHBondContact O-N 3.29Å; D40-N44 PolarHBondContact O-ND2 2.75Å |
| 41 | E | 94.3 | Very high | 89 | Confident | 134 Ų | 134 | 102.5 Ų | 102.5 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -43 | 174.6 | -77.7 | -177.4 | -176.5 | 0 | 0 | 112.4 | M37 F39 N44 K45 | M37-E41 WeakPolarHBondContact O-CG 3.47Å; M37-E41 PolarHBondContact O-N 3.34Å; F39-E41 VanDerWaalsContact C-N 3.33Å; F39-E41 PolarHBondContact O-N 3Å; E41-N44 PolarHBondContact O-N 3.27Å; E41-K45 WeakPolarHBondContact O-CB 3.34Å; E41-K45 PolarHBondContact O-N 3.28Å |
| 42 | L | 94.1 | Very high | 89.7 | Confident | 93 Ų | 93 | 106 Ų | 106 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.5 | -89.1 | 166.6 | 0 | 0 | 0 | 111.9 | E38 F39 N44 K45 E46 | E38-L42 PolarHBondContact O-N 3.2Å; F39-L42 PolarHBondContact O-N 3.47Å; L42-N44 PolarHBondContact O-N 3.1Å; L42-K45 PolarHBondContact O-N 3.07Å; L42-E46 PolarHBondContact O-N 2.92Å |
| 43 | M | 91.5 | Very high | 89.9 | Confident | 111 Ų | 111 | 104.7 Ų | 104.7 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 176.4 | -85.8 | -76.2 | -68 | 0 | 0 | 112.1 | F39 D40 K45 E46 L47 | F39-M43 HydrophobicContact CD1-CG 4.17Å; F39-M43 HydrophobicContact CE1-CG 3.68Å; F39-M43 HydrophobicContact CE2-CG 4.45Å; F39-M43 HydrophobicContact CZ-CG 3.85Å; F39-M43 HydrophobicContact CZ-SD 4.29Å; F39-M43 WeakPolarHBondContact O-CB 3.45Å; F39-M43 PolarHBondContact O-N 3.46Å; D40-M43 PolarHBondContact O-N 3.06Å; M43-K45 VanDerWaalsContact C-N 3.33Å; M43-K45 PolarHBondContact O-N 3.12Å; M43-E46 PolarHBondContact O-N 3.4Å; M43-L47 WeakPolarHBondContact O-CB 3.47Å; M43-L47 PolarHBondContact O-N 3.35Å |
| 44 | N | 91.6 | Very high | 89.8 | Confident | 98 Ų | 98 | 102 Ų | 102 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 177.6 | -73.1 | -37.9 | 0 | 0 | 0 | 112 | D40 E41 L42 L47 D48 | D40-N44 WeakPolarHBondContact O-CB 3.48Å; D40-N44 VanDerWaalsContact O-CG 3.29Å; D40-N44 PolarHBondContact O-N 3.29Å; D40-N44 PolarHBondContact O-ND2 2.75Å; E41-N44 PolarHBondContact O-N 3.27Å; L42-N44 PolarHBondContact O-N 3.1Å; N44-L47 PolarHBondContact O-N 2.84Å; N44-D48 WeakPolarHBondContact O-CB 3.38Å; N44-D48 PolarHBondContact O-N 2.78Å |
| 45 | K | 93.5 | Very high | 89.4 | Confident | 134 Ų | 134 | 105.2 Ų | 105.2 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65 | -43.1 | 176.3 | -173.1 | -179.9 | 179 | -177.8 | 0 | 112.4 | E41 L42 M43 D48 L49 | E41-K45 WeakPolarHBondContact O-CB 3.34Å; E41-K45 PolarHBondContact O-N 3.28Å; L42-K45 PolarHBondContact O-N 3.07Å; M43-K45 VanDerWaalsContact C-N 3.33Å; M43-K45 PolarHBondContact O-N 3.12Å; K45-D48 PolarHBondContact O-N 3.03Å; K45-L49 WeakPolarHBondContact O-CG 3.44Å; K45-L49 PolarHBondContact O-N 3.31Å |
| 46 | E | 91.3 | Very high | 88.8 | Confident | 119 Ų | 119 | 104.7 Ų | 104.7 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -41.1 | 175 | -72.9 | -63.7 | 142.8 | 0 | 0 | 111.5 | L42 M43 D48 L49 L50 | L42-E46 PolarHBondContact O-N 2.92Å; M43-E46 PolarHBondContact O-N 3.4Å; E46-D48 PolarHBondContact O-N 2.96Å; E46-L49 PolarHBondContact O-N 3.11Å; E46-L50 PolarHBondContact O-N 3.24Å |
| 47 | L | 91.5 | Very high | 88.1 | Confident | 96 Ų | 96 | 108.8 Ų | 108.8 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 174.5 | -170.1 | 79.6 | 0 | 0 | 0 | 111.5 | M43 N44 L49 L50 I51 | M43-L47 WeakPolarHBondContact O-CB 3.47Å; M43-L47 PolarHBondContact O-N 3.35Å; N44-L47 PolarHBondContact O-N 2.84Å; L47-L49 VanDerWaalsContact C-N 3.33Å; L47-L49 PolarHBondContact O-N 3.02Å; L47-L50 WeakPolarHBondContact O-CB 3.46Å; L47-L50 PolarHBondContact O-N 2.87Å; L47-L50 VanDerWaalsContact O-N 3.15Å; L47-I51 HydrophobicContact CD2-CD1 4.3Å; L47-I51 HydrophobicContact CG-CD1 4.05Å; L47-I51 WeakPolarHBondContact O-CG1 3.44Å; L47-I51 PolarHBondContact O-N 3.41Å |
| 48 | D | 90.9 | Very high | 87 | Confident | 80 Ų | 80 | 105.5 Ų | 105.5 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 178.1 | -85 | -12.1 | 0 | 0 | 0 | 112.5 | N44 K45 E46 L50 I51 R52 | N44-D48 WeakPolarHBondContact O-CB 3.38Å; N44-D48 PolarHBondContact O-N 2.78Å; K45-D48 PolarHBondContact O-N 3.03Å; E46-D48 PolarHBondContact O-N 2.96Å; D48-L50 VanDerWaalsContact C-N 3.35Å; D48-I51 PolarHBondContact O-N 3.5Å; D48-R52 WeakPolarHBondContact O-CB 3.26Å; D48-R52 VanDerWaalsContact O-CG 3.32Å; D48-R52 WeakPolarHBondContact O-CG 3.4Å; D48-R52 PolarHBondContact O-N 2.76Å |
| 49 | L | 90.6 | Very high | 85.5 | Confident | 84 Ų | 84 | 103.7 Ų | 103.7 | 44% | 0.44 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 173.7 | -72.3 | 176.3 | 0 | 0 | 0 | 111.4 | K45 E46 L47 R52 S53 | K45-L49 WeakPolarHBondContact O-CG 3.44Å; K45-L49 PolarHBondContact O-N 3.31Å; E46-L49 PolarHBondContact O-N 3.11Å; L47-L49 VanDerWaalsContact C-N 3.33Å; L47-L49 PolarHBondContact O-N 3.02Å; L49-R52 PolarHBondContact O-N 3.25Å; L49-S53 WeakPolarHBondContact O-CB 3.41Å; L49-S53 PolarHBondContact O-N 3.49Å |
| 50 | L | 88.3 | Confident | 83.9 | Confident | 118 Ų | 118 | 102.8 Ų | 102.8 | 62% | 0.618 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 177.1 | -148.5 | 82.9 | 0 | 0 | 0 | 111.2 | E46 L47 D48 S53 V54 | E46-L50 PolarHBondContact O-N 3.24Å; L47-L50 WeakPolarHBondContact O-CB 3.46Å; L47-L50 PolarHBondContact O-N 2.87Å; L47-L50 VanDerWaalsContact O-N 3.15Å; D48-L50 VanDerWaalsContact C-N 3.35Å; L50-S53 WeakPolarHBondContact O-CB 3.28Å; L50-S53 PolarHBondContact O-N 3.44Å; L50-V54 WeakPolarHBondContact O-CG2 3.3Å; L50-V54 PolarHBondContact O-N 3.47Å |
| 51 | I | 87.3 | Confident | 82.1 | Confident | 78 Ų | 78 | 100.9 Ų | 100.9 | 40% | 0.4 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 177.7 | -68.4 | 168.4 | 0 | 0 | 0 | 110.2 | L47 D48 S53 V54 H55 | L47-I51 HydrophobicContact CD2-CD1 4.3Å; L47-I51 HydrophobicContact CG-CD1 4.05Å; L47-I51 WeakPolarHBondContact O-CG1 3.44Å; L47-I51 PolarHBondContact O-N 3.41Å; D48-I51 PolarHBondContact O-N 3.5Å; I51-S53 VanDerWaalsContact C-N 3.35Å; I51-S53 PolarHBondContact O-N 3.35Å; I51-V54 PolarHBondContact O-N 2.97Å; I51-H55 PolarHBondContact O-CD2 2.94Å; I51-H55 VanDerWaalsContact O-CD2 3.27Å; I51-H55 PolarHBondContact O-N 3.22Å |
| 52 | R | 85.7 | Confident | 80.1 | Confident | 165 Ų | 165 | 101.3 Ų | 101.3 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -41.4 | 176.8 | -73.5 | 177.8 | -166.1 | 167.5 | 8.6 | 112.2 | D48 L49 V54 H55 Q56 | D48-R52 WeakPolarHBondContact O-CB 3.26Å; D48-R52 VanDerWaalsContact O-CG 3.32Å; D48-R52 WeakPolarHBondContact O-CG 3.4Å; D48-R52 PolarHBondContact O-N 2.76Å; L49-R52 PolarHBondContact O-N 3.25Å; R52-V54 PolarHBondContact O-N 3.42Å; R52-H55 PolarHBondContact O-N 3.17Å; R52-Q56 WeakPolarHBondContact O-CB 3.48Å; R52-Q56 PolarHBondContact O-N 3.29Å |
| 53 | S | 83.2 | Confident | 78 | Confident | 51 Ų | 51 | 103.2 Ų | 103.2 | 36% | 0.357 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | L49 L50 I51 Q56 K57 | L49-S53 WeakPolarHBondContact O-CB 3.41Å; L49-S53 PolarHBondContact O-N 3.49Å; L50-S53 WeakPolarHBondContact O-CB 3.28Å; L50-S53 PolarHBondContact O-N 3.44Å; I51-S53 VanDerWaalsContact C-N 3.35Å; I51-S53 PolarHBondContact O-N 3.35Å; S53-Q56 PolarHBondContact O-N 2.99Å; S53-K57 WeakPolarHBondContact O-CB 3.29Å; S53-K57 VanDerWaalsContact O-CG 3.27Å; S53-K57 WeakPolarHBondContact O-CG 3.42Å; S53-K57 PolarHBondContact O-N 3Å |
| 54 | V | 82.9 | Confident | 76 | Confident | 90 Ų | 90 | 105.6 Ų | 105.6 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.2 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L50 I51 R52 A58 | L50-V54 WeakPolarHBondContact O-CG2 3.3Å; L50-V54 PolarHBondContact O-N 3.47Å; I51-V54 PolarHBondContact O-N 2.97Å; R52-V54 PolarHBondContact O-N 3.42Å; V54-A58 VanDerWaalsContact O-CB 3.24Å; V54-A58 WeakPolarHBondContact O-CB 3.15Å; V54-A58 PolarHBondContact O-N 3.19Å |
| 55 | H | 78.6 | Confident | 74 | Confident | 126 Ų | 126 | 107.6 Ų | 107.6 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | 176.3 | -87.5 | -82 | 0 | 0 | 0 | 112.5 | I51 R52 A58 T59 | I51-H55 PolarHBondContact O-CD2 2.94Å; I51-H55 VanDerWaalsContact O-CD2 3.27Å; I51-H55 PolarHBondContact O-N 3.22Å; R52-H55 PolarHBondContact O-N 3.17Å; H55-A58 CarbonylContact O-C 3.33Å; H55-A58 WeakPolarHBondContact O-CB 3.12Å; H55-A58 PolarHBondContact O-N 2.91Å; H55-T59 WeakPolarHBondContact O-CG2 3.48Å; H55-T59 PolarHBondContact O-N 3.36Å; H55-T59 PolarHBondContact O-OG1 2.83Å |
| 56 | Q | 75.1 | Confident | 71.8 | Confident | 126 Ų | 126 | 111.1 Ų | 111.1 | 59% | 0.589 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70 | -42.1 | 178.7 | -165.7 | 148.7 | 16.6 | 0 | 0 | 111.7 | R52 S53 A58 T59 D60 | R52-Q56 WeakPolarHBondContact O-CB 3.48Å; R52-Q56 PolarHBondContact O-N 3.29Å; S53-Q56 PolarHBondContact O-N 2.99Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 3.23Å; Q56-T59 WeakPolarHBondContact CA-OG1 3.5Å; Q56-T59 PolarHBondContact O-N 3.15Å; Q56-T59 VanDerWaalsContact O-N 3.12Å; Q56-T59 PolarHBondContact O-OG1 2.96Å; Q56-D60 PolarHBondContact O-N 3.41Å |
| 57 | K | 74.2 | Confident | 69.9 | Low | 134 Ų | 134 | 114.1 Ų | 114.1 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.2 | -39.6 | 168.6 | -71.2 | 175.8 | -176 | -178.1 | 0 | 111.2 | S53 T59 D60 S61 | S53-K57 WeakPolarHBondContact O-CB 3.29Å; S53-K57 VanDerWaalsContact O-CG 3.27Å; S53-K57 WeakPolarHBondContact O-CG 3.42Å; S53-K57 PolarHBondContact O-N 3Å; K57-T59 VanDerWaalsContact C-N 3.31Å; K57-T59 PolarHBondContact O-N 2.77Å; K57-D60 PolarHBondContact O-N 3.03Å; K57-S61 WeakPolarHBondContact O-CB 3.26Å; K57-S61 PolarHBondContact O-N 3.35Å; K57-S61 PolarHBondContact O-OG 2.87Å |
| 58 | A | 65.9 | Low | 68.1 | Low | 36 Ų | 36 | 115.9 Ų | 115.9 | 30% | 0.298 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.1 | -25.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V54 H55 Q56 R65 | V54-A58 VanDerWaalsContact O-CB 3.24Å; V54-A58 WeakPolarHBondContact O-CB 3.15Å; V54-A58 PolarHBondContact O-N 3.19Å; H55-A58 CarbonylContact O-C 3.33Å; H55-A58 WeakPolarHBondContact O-CB 3.12Å; H55-A58 PolarHBondContact O-N 2.91Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 3.23Å; A58-R65 PolarHBondContact O-NH2 2.84Å |
| 59 | T | 61.7 | Low | 66.2 | Low | 85 Ų | 85 | 120.3 Ų | 120.3 | 52% | 0.521 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -80.9 | -38.6 | 173.4 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | H55 Q56 K57 K62 | H55-T59 WeakPolarHBondContact O-CG2 3.48Å; H55-T59 PolarHBondContact O-N 3.36Å; H55-T59 PolarHBondContact O-OG1 2.83Å; Q56-T59 WeakPolarHBondContact CA-OG1 3.5Å; Q56-T59 PolarHBondContact O-N 3.15Å; Q56-T59 VanDerWaalsContact O-N 3.12Å; Q56-T59 PolarHBondContact O-OG1 2.96Å; K57-T59 VanDerWaalsContact C-N 3.31Å; K57-T59 PolarHBondContact O-N 2.77Å; T59-K62 PolarHBondContact O-N 2.9Å |
| 60 | D | 58.8 | Low | 64.5 | Low | 109 Ų | 109 | 123.7 Ų | 123.7 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.4 | -36.5 | 178.9 | -61.9 | -19.6 | 0 | 0 | 0 | 111 | Q56 K57 K62 T63 | Q56-D60 PolarHBondContact O-N 3.41Å; K57-D60 PolarHBondContact O-N 3.03Å; D60-K62 PolarHBondContact O-N 2.78Å; D60-K62 VanDerWaalsContact O-N 3.15Å; D60-T63 PolarHBondContact O-N 2.85Å |
| 61 | S | 53.6 | Low | 62.9 | Low | 51 Ų | 51 | 125.2 Ų | 125.2 | 36% | 0.357 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -72.1 | -0.9 | 174.7 | -59.1 | 0 | 0 | 0 | 0 | 114 | K57 T63 E64 R65 | K57-S61 WeakPolarHBondContact O-CB 3.26Å; K57-S61 PolarHBondContact O-N 3.35Å; K57-S61 PolarHBondContact O-OG 2.87Å; S61-T63 PolarHBondContact O-N 3.21Å; S61-T63 VanDerWaalsContact O-N 3.11Å; S61-E64 CarbonylContact O-C 3.6Å; S61-E64 PolarHBondContact O-N 2.83Å; S61-R65 WeakPolarHBondContact O-CA 3.11Å; S61-R65 VanDerWaalsContact O-CB 3.23Å; S61-R65 WeakPolarHBondContact O-CB 3.45Å; S61-R65 WeakPolarHBondContact O-CG 3.37Å; S61-R65 PolarHBondContact O-N 3.33Å |
| 62 | K | 52.3 | Low | 61 | Low | 143 Ų | 143 | 130.6 Ų | 130.6 | 62% | 0.622 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -61 | -16 | 169.1 | -89.4 | -175.5 | 175.7 | 179.8 | 0 | 113 | T59 D60 | T59-K62 PolarHBondContact O-N 2.9Å; D60-K62 PolarHBondContact O-N 2.78Å; D60-K62 VanDerWaalsContact O-N 3.15Å |
| 63 | T | 49 | Very low | 59.4 | Low | 133 Ų | 133 | 128.2 Ų | 128.2 | 82% | 0.816 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -92.7 | -13.1 | 174.2 | -45.9 | 0 | 0 | 0 | 0 | 113.4 | D60 S61 | D60-T63 PolarHBondContact O-N 2.85Å; S61-T63 PolarHBondContact O-N 3.21Å; S61-T63 VanDerWaalsContact O-N 3.11Å |
| 64 | E | 50.1 | Low | 57.8 | Low | 162 Ų | 162 | 133.9 Ų | 133.9 | 76% | 0.757 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.9 | 15.3 | -178.8 | -64.3 | -171.2 | 154.9 | 0 | 0 | 113.7 | S61 K66 | S61-E64 CarbonylContact O-C 3.6Å; S61-E64 PolarHBondContact O-N 2.83Å; E64-K66 PolarHBondContact O-N 3.27Å |
| 65 | R | 49.1 | Very low | 56.2 | Low | 140 Ų | 140 | 139 Ų | 139 | 53% | 0.528 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | 19 | -162.4 | -121.6 | 178.6 | -153 | -155.4 | -3.6 | 118 | A58 S61 | A58-R65 PolarHBondContact O-NH2 2.84Å; S61-R65 WeakPolarHBondContact O-CA 3.11Å; S61-R65 VanDerWaalsContact O-CB 3.23Å; S61-R65 WeakPolarHBondContact O-CB 3.45Å; S61-R65 WeakPolarHBondContact O-CG 3.37Å; S61-R65 PolarHBondContact O-N 3.33Å |
| 66 | K | 48.1 | Very low | 55.1 | Low | 208 Ų | 208 | 141.9 Ų | 141.9 | 90% | 0.904 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -5.4 | 178.6 | -79.2 | -170.9 | 175.6 | -177 | 0 | 115.4 | E64 | E64-K66 PolarHBondContact O-N 3.27Š|
| 67 | Q | 50 | Low | 53.7 | Low | 182 Ų | 182 | 144.4 Ų | 144.4 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -119.5 | -2.9 | -171 | -70.4 | -175.5 | -7.7 | 0 | 0 | 116.4 | ||
| 68 | N | 54.7 | Low | 52.5 | Low | 133 Ų | 133 | 145.6 Ų | 145.6 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | trans | -129.6 | 33 | -173.2 | -158.2 | 1.6 | 0 | 0 | 0 | 114.7 | N70 | N68-N70 VanDerWaalsContact C-N 3.33Š| ||
| 69 | E | 52 | Low | 51.7 | Low | 173 Ų | 173 | 151.6 Ų | 151.6 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | trans | -85.6 | -3.2 | 173.4 | -110.3 | -177.2 | 166 | 0 | 0 | 113.8 | L71 | E69-L71 PolarHBondContact O-N 2.96Š| ||
| 70 | N | 53.4 | Low | 51 | Low | 155 Ų | 155 | 153.3 Ų | 153.3 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 8 | -169.7 | -66.6 | -8.1 | 0 | 0 | 0 | 115.6 | N68 | N68-N70 VanDerWaalsContact C-N 3.33Š|
| 71 | L | 55.1 | Low | 50.7 | Low | 150 Ų | 150 | 155.2 Ų | 155.2 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 16.8 | -175.5 | -105.6 | 125.9 | 0 | 0 | 0 | 115.2 | E69 | E69-L71 PolarHBondContact O-N 2.96Š|
| 72 | R | 46.7 | Very low | 50.7 | Low | 190 Ų | 190 | 161.4 Ų | 161.4 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | -102.8 | 85.3 | 175.1 | -152.3 | 177.4 | -169 | 174.5 | 5.4 | 110.9 | R74 | R72-R74 HydrophobicContact CG-CG 4.47Å; R72-R74 PolarHBondContact O-N 3.43Å | ||
| 73 | V | 53.3 | Low | 50.9 | Low | 116 Ų | 116 | 159 Ų | 159 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | -65.7 | 98.3 | 168.4 | -173 | 0 | 0 | 0 | 0 | 108.2 | F75 | V73-F75 HydrophobicContact CG1-CD2 4.07Å; V73-F75 HydrophobicContact CG1-CE1 4.27Å; V73-F75 HydrophobicContact CG1-CE2 3.55Å; V73-F75 HydrophobicContact CG1-CZ 3.67Å | ||
| 74 | R | 49.2 | Very low | 51.5 | Low | 169 Ų | 169 | 160.4 Ų | 160.4 | 64% | 0.638 | 77% | 0.768 | S | S | * | * | trans | -100.8 | 108.1 | 167.6 | -87.9 | -177.5 | 167 | 173.6 | -5 | 107.7 | R72 K76 | R72-R74 HydrophobicContact CG-CG 4.47Å; R72-R74 PolarHBondContact O-N 3.43Å; R74-K76 PolarHBondContact O-N 2.87Å | ||
| 75 | F | 48.9 | Very low | 51.5 | Low | 197 Ų | 197 | 160 Ų | 160 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -72 | 93.1 | 165.3 | -64.1 | -79.6 | 0 | 0 | 0 | 108.5 | V73 | V73-F75 HydrophobicContact CG1-CD2 4.07Å; V73-F75 HydrophobicContact CG1-CE1 4.27Å; V73-F75 HydrophobicContact CG1-CE2 3.55Å; V73-F75 HydrophobicContact CG1-CZ 3.67Å | ||
| 76 | K | 55.6 | Low | 51.8 | Low | 188 Ų | 188 | 158.2 Ų | 158.2 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | -95.9 | 120.5 | 160.7 | -83.3 | -169.3 | 170.9 | -169.8 | 0 | 107.7 | R74 | R74-K76 PolarHBondContact O-N 2.87Š| ||
| 77 | K | 46.2 | Very low | 52.4 | Low | 179 Ų | 179 | 153.9 Ų | 153.9 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | trans | -115.3 | 99.8 | 176.5 | -176.5 | -176.2 | -165 | 169.3 | 0 | 106 | ||||
| 78 | D | 48.9 | Very low | 53.1 | Low | 158 Ų | 158 | 154.8 Ų | 154.8 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -166.7 | 100 | 165.4 | -73 | -44.6 | 0 | 0 | 0 | 105.2 | ||||
| 79 | H | 48.1 | Very low | 53.6 | Low | 162 Ų | 162 | 154.8 Ų | 154.8 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | 73.5 | 114.5 | 91.4 | -148.8 | -75.7 | 0 | 0 | 0 | 112.3 | |||||
| 80 | D | 47.5 | Very low | 54.8 | Low | 121 Ų | 121 | 149.9 Ų | 149.9 | 65% | 0.647 | 73% | 0.731 | S | S | * | * | trans | 49.3 | 100 | 165 | -56.6 | -12.6 | 0 | 0 | 0 | 118.5 | ||||
| 81 | D | 53.4 | Low | 55.9 | Low | 150 Ų | 150 | 148.1 Ų | 148.1 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | trans | -173.6 | 125.9 | 132.6 | -85.5 | -37.9 | 0 | 0 | 0 | 107.8 | V83 | D81-V83 HydrophobicContact CB-CG2 4.18Å; D81-V83 PolarHBondContact O-N 3.2Å | ||
| 82 | D | 54.1 | Low | 57.1 | Low | 181 Ų | 181 | 148.6 Ų | 148.6 | 97% | 0.968 | 73% | 0.731 | S | S | * | * | trans | -65.4 | 63.9 | 176.7 | -66.8 | -59.3 | 0 | 0 | 0 | 111.8 | ||||
| 83 | V | 55.6 | Low | 58.7 | Low | 93 Ų | 93 | 142.1 Ų | 142.1 | 56% | 0.564 | 71% | 0.714 | S | S | * | * | trans | -93.8 | 110.5 | 168.3 | -166.4 | 0 | 0 | 0 | 0 | 106.2 | D81 F85 | D81-V83 HydrophobicContact CB-CG2 4.18Å; D81-V83 PolarHBondContact O-N 3.2Å; V83-F85 HydrophobicContact CB-CD2 3.89Å; V83-F85 HydrophobicContact CB-CE2 3.85Å; V83-F85 HydrophobicContact CG1-CD2 3.98Å; V83-F85 HydrophobicContact CG1-CE2 3.9Å; V83-F85 PolarHBondContact O-N 2.91Å | ||
| 84 | D | 60.4 | Low | 60.3 | Low | 161 Ų | 161 | 140.6 Ų | 140.6 | 86% | 0.861 | 70% | 0.702 | S | S | * | * | trans | -61.5 | 70.6 | 168.8 | -159 | 25.4 | 0 | 0 | 0 | 108.4 | P86 | D84-P86 WeakPolarHBondContact O-CD 3.37Š| ||
| 85 | F | 50.6 | Low | 62.1 | Low | 153 Ų | 153 | 137.1 Ų | 137.1 | 67% | 0.671 | 69% | 0.69 | S | S | * | * | trans | -61.2 | 122 | 166.5 | -87.1 | -86.3 | 0 | 0 | 0 | 104.6 | V83 V87 | V83-F85 HydrophobicContact CB-CD2 3.89Å; V83-F85 HydrophobicContact CB-CE2 3.85Å; V83-F85 HydrophobicContact CG1-CD2 3.98Å; V83-F85 HydrophobicContact CG1-CE2 3.9Å; V83-F85 PolarHBondContact O-N 2.91Å; F85-V87 VanDerWaalsContact C-N 3.26Å; F85-V87 PolarHBondContact O-N 3.4Å | ||
| 86 | P | 56.5 | Low | 63.9 | Low | 104 Ų | 104 | 134.6 Ų | 134.6 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | trans | -58.1 | 104.2 | 170.3 | 23.1 | -29.3 | 0 | 0 | 0 | 105.3 | D84 Y88 | D84-P86 WeakPolarHBondContact O-CD 3.37Å; P86-Y88 PolarHBondContact O-N 3.48Å | ||
| 87 | V | 60.2 | Low | 65.5 | Low | 117 Ų | 117 | 131 Ų | 131 | 71% | 0.709 | 67% | 0.667 | S | S | * | * | trans | -60.6 | 92.8 | 166.9 | 176.8 | 0 | 0 | 0 | 0 | 102.5 | F85 K89 | F85-V87 VanDerWaalsContact C-N 3.26Å; F85-V87 PolarHBondContact O-N 3.4Å; V87-K89 PolarHBondContact O-N 2.93Å | ||
| 88 | Y | 64.3 | Low | 67.5 | Low | 200 Ų | 200 | 126.7 Ų | 126.7 | 78% | 0.784 | 65% | 0.652 | S | S | * | * | trans | -60.9 | 102 | 176.5 | -140.5 | -86.4 | 0 | 0 | 0 | 102.9 | P86 D90 | P86-Y88 PolarHBondContact O-N 3.48Å; Y88-D90 PolarHBondContact O-N 3.5Å | ||
| 89 | K | 64.9 | Low | 69.4 | Low | 134 Ų | 134 | 126.4 Ų | 126.4 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | trans | -49 | 115.5 | 177.8 | -76.2 | -172.9 | 176.2 | -171.5 | 0 | 105.3 | V87 P91 Y95 | V87-K89 PolarHBondContact O-N 2.93Å; K89-P91 VanDerWaalsContact O-CD 3.23Å; K89-P91 WeakPolarHBondContact O-CD 3.48Å; K89-Y95 HydrophobicContact CB-CD2 4.09Å; K89-Y95 HydrophobicContact CB-CE2 3.64Å; K89-Y95 HydrophobicContact CD-CD2 4.07Å; K89-Y95 HydrophobicContact CD-CE2 4.4Å; K89-Y95 HydrophobicContact CG-CD2 3.92Å; K89-Y95 HydrophobicContact CG-CE2 3.75Å | ||
| 90 | D | 77.3 | Confident | 71.5 | Confident | 69 Ų | 69 | 121.3 Ų | 121.3 | 37% | 0.369 | 63% | 0.632 | S | S | . | * | trans | -54.7 | 119.1 | -179.5 | -177.5 | -13.6 | 0 | 0 | 0 | 106.7 | Y88 L92 C93 | Y88-D90 PolarHBondContact O-N 3.5Å; D90-L92 PolarHBondContact O-N 3.38Å; D90-L92 WeakPolarHBondContact OD1-CB 3.27Å; D90-L92 PolarHBondContact OD1-N 3.28Å; D90-C93 HydrophobicContact CB-CB 4.03Å; D90-C93 PolarHBondContact O-N 3.01Å | ||
| 91 | P | 77.7 | Confident | 73.5 | Confident | 119 Ų | 119 | 119.3 Ų | 119.3 | 77% | 0.773 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -13.7 | 179.8 | -24.7 | 34.9 | 0 | 0 | 0 | 113.6 | K89 | K89-P91 VanDerWaalsContact O-CD 3.23Å; K89-P91 WeakPolarHBondContact O-CD 3.48Å |
| 92 | L | 80.6 | Confident | 75.2 | Confident | 159 Ų | 159 | 114.4 Ų | 114.4 | 83% | 0.832 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -16.1 | 175.3 | -57.2 | 178.9 | 0 | 0 | 0 | 113.9 | D90 | D90-L92 PolarHBondContact O-N 3.38Å; D90-L92 WeakPolarHBondContact OD1-CB 3.27Å; D90-L92 PolarHBondContact OD1-N 3.28Å |
| 93 | C | 80.2 | Confident | 76.8 | Confident | 54 Ų | 54 | 111.7 Ų | 111.7 | 37% | 0.365 | 58% | 0.581 | S | S | . | * | trans | -103.3 | 110.8 | 178.1 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | D90 Y95 | D90-C93 HydrophobicContact CB-CB 4.03Å; D90-C93 PolarHBondContact O-N 3.01Å; C93-Y95 HydrophobicContact CB-CE2 4.18Å; C93-Y95 WeakPolarHBondContact O-CD2 3.48Å; C93-Y95 PolarHBondContact O-N 3.5Å | ||
| 94 | D | 86.4 | Confident | 78.5 | Confident | 84 Ų | 84 | 114.8 Ų | 114.8 | 45% | 0.449 | 58% | 0.583 | S | S | . | * | trans | -82.3 | 92.6 | 169.7 | -171.1 | -13.9 | 0 | 0 | 0 | 110.1 | E96 E97 D98 | D94-E96 PolarHBondContact O-N 2.77Å; D94-E96 WeakPolarHBondContact OD1-CB 3.27Å; D94-E96 PolarHBondContact OD1-N 2.82Å; D94-E97 HydrophobicContact CB-CB 3.85Å; D94-E97 PolarHBondContact O-N 3.41Å; D94-E97 PolarHBondContact OD1-N 3.43Å; D94-E97 VanDerWaalsContact OD1-N 3.13Å; D94-D98 PolarHBondContact O-N 2.92Å | ||
| 95 | Y | 85.8 | Confident | 79.6 | Confident | 96 Ų | 96 | 110.3 Ų | 110.3 | 38% | 0.376 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.5 | -27.4 | 178.3 | -64.1 | -84.4 | 0 | 0 | 0 | 113.5 | K89 C93 E99 | K89-Y95 HydrophobicContact CB-CD2 4.09Å; K89-Y95 HydrophobicContact CB-CE2 3.64Å; K89-Y95 HydrophobicContact CD-CD2 4.07Å; K89-Y95 HydrophobicContact CD-CE2 4.4Å; K89-Y95 HydrophobicContact CG-CD2 3.92Å; K89-Y95 HydrophobicContact CG-CE2 3.75Å; C93-Y95 HydrophobicContact CB-CE2 4.18Å; C93-Y95 WeakPolarHBondContact O-CD2 3.48Å; C93-Y95 PolarHBondContact O-N 3.5Å; Y95-E99 WeakPolarHBondContact O-CB 3.45Å; Y95-E99 PolarHBondContact O-N 3.48Å |
| 96 | E | 87.4 | Confident | 81.1 | Confident | 145 Ų | 145 | 107.9 Ų | 107.9 | 68% | 0.678 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.4 | -41.8 | 178.6 | -62.5 | -177.4 | -174.3 | 0 | 0 | 110.1 | D94 E99 A100 | D94-E96 PolarHBondContact O-N 2.77Å; D94-E96 WeakPolarHBondContact OD1-CB 3.27Å; D94-E96 PolarHBondContact OD1-N 2.82Å; E96-E99 PolarHBondContact O-N 3.34Å; E96-A100 WeakPolarHBondContact O-CB 3.16Å; E96-A100 PolarHBondContact O-N 3.32Å |
| 97 | E | 88.6 | Confident | 82.5 | Confident | 113 Ų | 113 | 107.8 Ų | 107.8 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 172.5 | -170 | 177 | -171.7 | 0 | 0 | 111.3 | D94 E99 A100 N101 | D94-E97 HydrophobicContact CB-CB 3.85Å; D94-E97 PolarHBondContact O-N 3.41Å; D94-E97 PolarHBondContact OD1-N 3.43Å; D94-E97 VanDerWaalsContact OD1-N 3.13Å; E97-E99 PolarHBondContact O-N 3.03Å; E97-A100 PolarHBondContact O-N 3.29Å; E97-N101 VanDerWaalsContact O-CB 3.3Å; E97-N101 WeakPolarHBondContact O-CB 3.38Å; E97-N101 PolarHBondContact O-N 3.49Å; E97-N101 PolarHBondContact O-ND2 2.79Å |
| 98 | D | 88.4 | Confident | 83.6 | Confident | 88 Ų | 88 | 106.5 Ų | 106.5 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 176.7 | -75.9 | -24.7 | 0 | 0 | 0 | 112.3 | D94 N101 A102 | D94-D98 PolarHBondContact O-N 2.92Å; D98-N101 PolarHBondContact O-N 2.58Å; D98-A102 WeakPolarHBondContact O-CB 3.34Å; D98-A102 PolarHBondContact O-N 3.05Å |
| 99 | E | 90 | Very high | 84.4 | Confident | 151 Ų | 151 | 100.6 Ų | 100.6 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 176.4 | -174.5 | 172.6 | -175.1 | 0 | 0 | 111.5 | Y95 E96 E97 N101 A102 K103 | Y95-E99 WeakPolarHBondContact O-CB 3.45Å; Y95-E99 PolarHBondContact O-N 3.48Å; E96-E99 PolarHBondContact O-N 3.34Å; E97-E99 PolarHBondContact O-N 3.03Å; E99-N101 VanDerWaalsContact C-N 3.35Å; E99-N101 PolarHBondContact O-N 2.98Å; E99-A102 PolarHBondContact O-N 3.01Å; E99-K103 WeakPolarHBondContact O-CB 3.26Å; E99-K103 PolarHBondContact O-N 3.38Å |
| 100 | A | 91.7 | Very high | 84.8 | Confident | 55 Ų | 55 | 96.7 Ų | 96.7 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E96 E97 K103 W104 | E96-A100 WeakPolarHBondContact O-CB 3.16Å; E96-A100 PolarHBondContact O-N 3.32Å; E97-A100 PolarHBondContact O-N 3.29Å; A100-K103 PolarHBondContact O-N 2.77Å; A100-W104 WeakPolarHBondContact O-CB 3.49Å; A100-W104 PolarHBondContact O-N 2.91Å |
| 101 | N | 90.1 | Very high | 84.4 | Confident | 80 Ų | 80 | 94.3 Ų | 94.3 | 43% | 0.428 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.5 | -73.7 | -20.9 | 0 | 0 | 0 | 111.5 | E97 D98 E99 K103 W104 V105 | E97-N101 VanDerWaalsContact O-CB 3.3Å; E97-N101 WeakPolarHBondContact O-CB 3.38Å; E97-N101 PolarHBondContact O-N 3.49Å; E97-N101 PolarHBondContact O-ND2 2.79Å; D98-N101 PolarHBondContact O-N 2.58Å; E99-N101 VanDerWaalsContact C-N 3.35Å; E99-N101 PolarHBondContact O-N 2.98Å; N101-K103 VanDerWaalsContact C-N 3.29Å; N101-K103 PolarHBondContact O-N 2.71Å; N101-W104 PolarHBondContact O-N 3.42Å; N101-V105 WeakPolarHBondContact O-CG2 3.47Å; N101-V105 PolarHBondContact O-N 2.63Å |
| 102 | A | 88.4 | Confident | 84.1 | Confident | 47 Ų | 47 | 90.2 Ų | 90.2 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D98 E99 Q106 | D98-A102 WeakPolarHBondContact O-CB 3.34Å; D98-A102 PolarHBondContact O-N 3.05Å; E99-A102 PolarHBondContact O-N 3.01Å; A102-Q106 VanDerWaalsContact O-CG 3.27Å; A102-Q106 WeakPolarHBondContact O-CG 3.15Å; A102-Q106 PolarHBondContact O-N 3.47Å |
| 103 | K | 88.3 | Confident | 83.3 | Confident | 124 Ų | 124 | 89 Ų | 89 | 54% | 0.539 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 174.7 | -173.8 | 179.9 | 174.6 | -172.7 | 0 | 111.8 | E99 A100 N101 V105 Q106 E107 | E99-K103 WeakPolarHBondContact O-CB 3.26Å; E99-K103 PolarHBondContact O-N 3.38Å; A100-K103 PolarHBondContact O-N 2.77Å; N101-K103 VanDerWaalsContact C-N 3.29Å; N101-K103 PolarHBondContact O-N 2.71Å; K103-V105 VanDerWaalsContact C-N 3.35Å; K103-V105 PolarHBondContact O-N 2.83Å; K103-Q106 PolarHBondContact O-N 2.83Å; K103-E107 WeakPolarHBondContact CE-OE1 3.23Å; K103-E107 WeakPolarHBondContact O-CB 3.29Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 2.9Å |
| 104 | W | 89.9 | Confident | 82.5 | Confident | 158 Ų | 158 | 89.3 Ų | 89.3 | 60% | 0.598 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.1 | -44.9 | 177.2 | -175.9 | 93.8 | 0 | 0 | 0 | 111.6 | A100 N101 E107 N108 | A100-W104 WeakPolarHBondContact O-CB 3.49Å; A100-W104 PolarHBondContact O-N 2.91Å; N101-W104 PolarHBondContact O-N 3.42Å; W104-E107 PolarHBondContact O-N 2.95Å; W104-N108 HydrophobicContact CD2-CB 4.19Å; W104-N108 HydrophobicContact CE3-CB 4.29Å; W104-N108 HydrophobicContact CH2-CB 3.98Å; W104-N108 HydrophobicContact CZ2-CB 3.86Å; W104-N108 HydrophobicContact CZ3-CB 4.2Å; W104-N108 PolarHBondContact NE1-ND2 2.89Å; W104-N108 WeakPolarHBondContact O-CB 3.5Å; W104-N108 PolarHBondContact O-N 3.34Å; W104-N108 PolarHBondContact O-ND2 2.92Å |
| 105 | V | 85.4 | Confident | 81.5 | Confident | 67 Ų | 67 | 94.7 Ų | 94.7 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 109.8 | N101 K103 E107 N108 L109 | N101-V105 WeakPolarHBondContact O-CG2 3.47Å; N101-V105 PolarHBondContact O-N 2.63Å; K103-V105 VanDerWaalsContact C-N 3.35Å; K103-V105 PolarHBondContact O-N 2.83Å; V105-E107 PolarHBondContact O-N 3.16Å; V105-N108 PolarHBondContact O-N 2.84Å; V105-L109 HydrophobicContact CG1-CD1 4.47Å; V105-L109 HydrophobicContact CG1-CD2 4.44Å; V105-L109 WeakPolarHBondContact O-CB 3.32Å; V105-L109 PolarHBondContact O-N 3.45Å |
| 106 | Q | 81.4 | Confident | 80.9 | Confident | 102 Ų | 102 | 98.1 Ų | 98.1 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -29.6 | 179.1 | -72.6 | 175.1 | 27.9 | 0 | 0 | 113.9 | A102 K103 G112 K113 | A102-Q106 VanDerWaalsContact O-CG 3.27Å; A102-Q106 WeakPolarHBondContact O-CG 3.15Å; A102-Q106 PolarHBondContact O-N 3.47Å; K103-Q106 PolarHBondContact O-N 2.83Å; Q106-G112 CarbonylContact O-C 3.54Å; Q106-K113 HydrophobicContact CB-CG 4.46Å; Q106-K113 PolarHBondContact O-N 3.3Å |
| 107 | E | 84.6 | Confident | 80.9 | Confident | 102 Ų | 102 | 93.9 Ų | 93.9 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -86.8 | -32.8 | -179.4 | -71.6 | 176.1 | 178.2 | 0 | 0 | 113 | K103 W104 V105 | K103-E107 WeakPolarHBondContact CE-OE1 3.23Å; K103-E107 WeakPolarHBondContact O-CB 3.29Å; K103-E107 WeakPolarHBondContact O-CG 3.47Å; K103-E107 PolarHBondContact O-N 2.9Å; W104-E107 PolarHBondContact O-N 2.95Å; V105-E107 PolarHBondContact O-N 3.16Å |
| 108 | N | 84.5 | Confident | 80.9 | Confident | 89 Ų | 89 | 92.3 Ų | 92.3 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -105.7 | -11 | -172.2 | -68.6 | -88.3 | 0 | 0 | 0 | 114.4 | W104 V105 | W104-N108 HydrophobicContact CD2-CB 4.19Å; W104-N108 HydrophobicContact CE3-CB 4.29Å; W104-N108 HydrophobicContact CH2-CB 3.98Å; W104-N108 HydrophobicContact CZ2-CB 3.86Å; W104-N108 HydrophobicContact CZ3-CB 4.2Å; W104-N108 PolarHBondContact NE1-ND2 2.89Å; W104-N108 WeakPolarHBondContact O-CB 3.5Å; W104-N108 PolarHBondContact O-N 3.34Å; W104-N108 PolarHBondContact O-ND2 2.92Å; V105-N108 PolarHBondContact O-N 2.84Å |
| 109 | L | 81.8 | Confident | 81 | Confident | 76 Ų | 76 | 88.2 Ų | 88.2 | 40% | 0.398 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -65.5 | 139.4 | 178.1 | -153.2 | 64.1 | 0 | 0 | 0 | 110.4 | V105 G111 G112 L132 | V105-L109 HydrophobicContact CG1-CD1 4.47Å; V105-L109 HydrophobicContact CG1-CD2 4.44Å; V105-L109 WeakPolarHBondContact O-CB 3.32Å; V105-L109 PolarHBondContact O-N 3.45Å; L109-G111 PolarHBondContact O-N 3.23Å; L109-G111 VanDerWaalsContact O-N 3.13Å; L109-G112 WeakPolarHBondContact O-CA 3.45Å; L109-G112 PolarHBondContact O-N 2.81Å; L109-L132 HydrophobicContact CD1-CD1 3.4Å; L109-L132 VanDerWaalsContact CD1-CD1 3.4Å; L109-L132 HydrophobicContact CD2-CD1 3.91Å; L109-L132 HydrophobicContact CG-CD1 3.53Å |
| 110 | P | 72.4 | Confident | 81.2 | Confident | 53 Ų | 53 | 84.2 Ų | 84.2 | 34% | 0.344 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 120.1 | 173.6 | -27.4 | 36.3 | 0 | 0 | 0 | 111.2 | H148 I150 | P110-H148 HydrophobicContact CB-CB 4.47Å; P110-I150 HydrophobicContact CB-CD1 3.9Å; P110-I150 HydrophobicContact CB-CG1 3.99Å; P110-I150 HydrophobicContact CG-CD1 3.66Å; P110-I150 HydrophobicContact CG-CG1 3.91Å |
| 111 | G | 68.5 | Low | 81.3 | Confident | 19 Ų | 19 | 81.6 Ų | 81.6 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | 1.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L109 S114 | L109-G111 PolarHBondContact O-N 3.23Å; L109-G111 VanDerWaalsContact O-N 3.13Å; G111-S114 VanDerWaalsContact O-CB 3.23Å; G111-S114 WeakPolarHBondContact O-CB 3.34Å; G111-S114 PolarHBondContact O-N 3.28Å |
| 112 | G | 70.7 | Confident | 81.6 | Confident | 32 Ų | 32 | 79.1 Ų | 79.1 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | -139.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q106 L109 S114 | Q106-G112 CarbonylContact O-C 3.54Å; L109-G112 WeakPolarHBondContact O-CA 3.45Å; L109-G112 PolarHBondContact O-N 2.81Å; G112-S114 PolarHBondContact O-N 2.74Å |
| 113 | K | 65 | Low | 81.9 | Confident | 135 Ų | 135 | 76.9 Ų | 76.9 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 17.2 | 179.4 | -62 | -178.3 | -179.5 | 177.6 | 0 | 114 | Q106 K115 | Q106-K113 HydrophobicContact CB-CG 4.46Å; Q106-K113 PolarHBondContact O-N 3.3Å; K113-K115 WeakPolarHBondContact O-CG 3.4Å; K113-K115 PolarHBondContact O-N 3.11Å |
| 114 | S | 63.5 | Low | 82.2 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 41% | 0.413 | 38% | 0.375 | S | S | . | . | trans | -66.2 | 96.3 | -178.3 | -164.8 | 0 | 0 | 0 | 0 | 109.9 | G111 G112 K116 | G111-S114 VanDerWaalsContact O-CB 3.23Å; G111-S114 WeakPolarHBondContact O-CB 3.34Å; G111-S114 PolarHBondContact O-N 3.28Å; G112-S114 PolarHBondContact O-N 2.74Å; S114-K116 PolarHBondContact O-N 3.39Å; S114-K116 VanDerWaalsContact O-N 3.1Å | ||
| 115 | K | 64.4 | Low | 82.5 | Confident | 198 Ų | 198 | 68 Ų | 68 | 86% | 0.861 | 37% | 0.374 | S | S | * | . | trans | -71.1 | 1.3 | -174.6 | -66 | -174.6 | 178.4 | -177 | 0 | 114.1 | K113 | K113-K115 WeakPolarHBondContact O-CG 3.4Å; K113-K115 PolarHBondContact O-N 3.11Å | ||
| 116 | K | 74.8 | Confident | 83 | Confident | 167 Ų | 167 | 67.1 Ų | 67.1 | 73% | 0.726 | 37% | 0.371 | S | S | * | . | trans | -131.6 | 78.4 | -171.7 | -62.8 | -172.9 | -179.5 | -176.1 | 0 | 110.2 | S114 | S114-K116 PolarHBondContact O-N 3.39Å; S114-K116 VanDerWaalsContact O-N 3.1Å | ||
| 117 | S | 86.2 | Confident | 83.6 | Confident | 56 Ų | 56 | 69 Ų | 69 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | trans | -96 | 137.7 | 162.2 | 56 | 0 | 0 | 0 | 0 | 109 | L132 | S117-L132 WeakPolarHBondContact CB-O 3.3Å; S117-L132 PolarHBondContact OG-O 2.74Å | ||
| 118 | D | 88.6 | Confident | 84.1 | Confident | 80 Ų | 80 | 65 Ų | 65 | 43% | 0.428 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -79.2 | -33.2 | 178.6 | -68.9 | -27.7 | 0 | 0 | 0 | 111.5 | S134 H135 R136 H219 | D118-S134 PolarHBondContact N-O 2.92Å; D118-H135 VanDerWaalsContact OD2-CA 3.26Å; D118-H135 WeakPolarHBondContact OD2-CA 3.22Å; D118-R136 HydrophobicContact CB-CB 4.41Å; D118-R136 PolarHBondContact OD2-N 3.4Å; D118-H219 PolarHBondContact O-CE1 3.22Å; D118-H219 PolarHBondContact O-ND1 3.13Å |
| 119 | A | 91.7 | Very high | 84.6 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | trans | -157.5 | 156.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L121 S134 Y144 A217 S218 | A119-L121 HydrophobicContact CB-CD2 4.14Å; A119-S134 PolarHBondContact N-OG 3.2Å; A119-S134 PolarHBondContact O-OG 2.93Å; A119-Y144 HydrophobicContact CB-CD1 4.44Å; A119-Y144 HydrophobicContact CB-CE1 3.9Å; A119-A217 HydrophobicContact CB-CB 4.02Å; A119-S218 WeakPolarHBondContact CA-O 3.38Å | ||
| 120 | I | 92.9 | Very high | 85.2 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 34% | 0.344 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128 | 160.5 | -61.9 | 170.8 | 0 | 0 | 0 | 107.7 | V129 L132 S218 | I120-V129 HydrophobicContact CG2-CG1 4.25Å; I120-L132 HydrophobicContact CD1-CD2 4.41Å; I120-L132 HydrophobicContact CG1-CD2 4.33Å; I120-L132 HydrophobicContact CG2-CD2 4.09Å; I120-S218 PolarHBondContact N-O 2.99Å; I120-S218 PolarHBondContact O-N 2.94Å |
| 121 | L | 94.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.2 | -177.9 | -54.8 | -176.5 | 0 | 0 | 0 | 110.4 | A119 L130 S131 Y144 F212 V215 A217 | A119-L121 HydrophobicContact CB-CD2 4.14Å; L121-L130 HydrophobicContact CB-CB 4.32Å; L121-L130 PolarHBondContact O-N 3.46Å; L121-S131 PolarHBondContact N-O 3.46Å; L121-S131 PolarHBondContact O-N 2.91Å; L121-Y144 HydrophobicContact CD1-CG 4.37Å; L121-Y144 HydrophobicContact CD2-CD1 4.09Å; L121-Y144 HydrophobicContact CD2-CD2 3.89Å; L121-Y144 HydrophobicContact CD2-CE2 4.37Å; L121-Y144 HydrophobicContact CD2-CG 3.73Å; L121-F212 HydrophobicContact CD1-CB 4.43Å; L121-F212 HydrophobicContact CD1-CD2 3.3Å; L121-F212 HydrophobicContact CD1-CE2 3.64Å; L121-F212 HydrophobicContact CD1-CG 4.05Å; L121-V215 HydrophobicContact CD2-CG2 4.05Å; L121-A217 HydrophobicContact CD2-CB 4.22Å |
| 122 | N | 95.4 | Very high | 87.3 | Confident | 28 Ų | 28 | 58 Ų | 58 | 15% | 0.15 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 148.9 | 178.3 | -62 | -34.3 | 0 | 0 | 0 | 111.1 | S128 L216 S218 | N122-S128 WeakPolarHBondContact CA-O 3.35Å; N122-L216 HydrophobicContact CB-CB 4.15Å; N122-L216 PolarHBondContact N-O 2.89Å; N122-L216 PolarHBondContact O-N 3.2Å; N122-S218 PolarHBondContact ND2-OG 3.24Å |
| 123 | C | 95.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -67.7 | 130.8 | 176.7 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | G125 M127 S128 L130 C193 | C123-G125 VanDerWaalsContact C-N 3.26Å; C123-G125 PolarHBondContact O-N 3.43Å; C123-G125 PolarHBondContact SG-N 2.92Å; C123-M127 WeakPolarHBondContact O-CA 3.48Å; C123-M127 PolarHBondContact O-N 2.8Å; C123-S128 PolarHBondContact N-O 3.15Å; C123-L130 HydrophobicContact CB-CD1 4.13Å; C123-L130 HydrophobicContact CB-CD2 4.11Å; C123-L130 HydrophobicContact CB-CG 4.07Å; C123-C193 HydrophobicContact CB-CB 4.47Å; C123-C193 VanDerWaalsContact SG-SG 3.69Å | ||
| 124 | P | 95.2 | Very high | 89.5 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 26% | 0.26 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -25.7 | 178.7 | 27.2 | -34.5 | 0 | 0 | 0 | 113.2 | D214 L216 | P124-D214 WeakPolarHBondContact CD-O 3.45Å; P124-L216 HydrophobicContact CB-CG 4.37Å |
| 125 | G | 94.3 | Very high | 90.8 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -42 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C123 | C123-G125 VanDerWaalsContact C-N 3.26Å; C123-G125 PolarHBondContact O-N 3.43Å; C123-G125 PolarHBondContact SG-N 2.92Å |
| 126 | C | 95.9 | Very high | 92.2 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 32% | 0.324 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 3.3 | -173.5 | 64.6 | 0 | 0 | 0 | 0 | 114.5 | S128 C196 | C126-S128 PolarHBondContact O-N 3.22Å; C126-S128 PolarHBondContact SG-OG 2.93Å; C126-C196 HydrophobicContact CB-CB 3.93Å; C126-C196 PolarHBondContact SG-SG 3.43Å |
| 127 | M | 95.5 | Very high | 92.9 | Very high | 140 Ų | 140 | 39.7 Ų | 39.7 | 69% | 0.69 | 23% | 0.225 | S | C | * | . | trans | 59.3 | 10.8 | -177.9 | -56.3 | -178 | 177.9 | 0 | 0 | 115.2 | C123 L216 | C123-M127 WeakPolarHBondContact O-CA 3.48Å; C123-M127 PolarHBondContact O-N 2.8Å; M127-L216 HydrophobicContact CG-CD1 4.43Å | ||
| 128 | S | 95.3 | Very high | 93 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | trans | -63.1 | 140.7 | 173.9 | 69.2 | 0 | 0 | 0 | 0 | 111 | N122 C123 C126 L130 C193 | N122-S128 WeakPolarHBondContact CA-O 3.35Å; C123-S128 PolarHBondContact N-O 3.15Å; C126-S128 PolarHBondContact O-N 3.22Å; C126-S128 PolarHBondContact SG-OG 2.93Å; S128-L130 PolarHBondContact O-N 3.04Å; S128-C193 PolarHBondContact OG-SG 3.39Å | ||
| 129 | V | 94.7 | Very high | 92.9 | Very high | 51 Ų | 51 | 46.1 Ų | 46.1 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 124.9 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | I120 L132 I150 N151 | I120-V129 HydrophobicContact CG2-CG1 4.25Å; V129-L132 HydrophobicContact CG1-CD2 3.84Å; V129-L132 HydrophobicContact CG1-CG 4.1Å; V129-I150 HydrophobicContact CG1-CD1 4.38Å; V129-N151 PolarHBondContact O-ND2 3.05Å |
| 130 | L | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -31.2 | 176.5 | -65.6 | 176.6 | 0 | 0 | 0 | 112.8 | L121 C123 S128 P149 I150 C193 V200 F212 V215 | L121-L130 HydrophobicContact CB-CB 4.32Å; L121-L130 PolarHBondContact O-N 3.46Å; C123-L130 HydrophobicContact CB-CD1 4.13Å; C123-L130 HydrophobicContact CB-CD2 4.11Å; C123-L130 HydrophobicContact CB-CG 4.07Å; S128-L130 PolarHBondContact O-N 3.04Å; L130-P149 CarbonylContact O-C 3.53Å; L130-P149 WeakPolarHBondContact O-CA 3.18Å; L130-I150 CarbonylContact C-O 3.57Å; L130-I150 VanDerWaalsContact CA-O 3.23Å; L130-I150 WeakPolarHBondContact CA-O 3.47Å; L130-I150 PolarHBondContact O-N 2.61Å; L130-C193 HydrophobicContact CD2-CB 4.4Å; L130-V200 HydrophobicContact CD1-CB 3.99Å; L130-V200 HydrophobicContact CD1-CG1 3.72Å; L130-V200 HydrophobicContact CD1-CG2 4.43Å; L130-V200 HydrophobicContact CD2-CG1 4.38Å; L130-F212 HydrophobicContact CB-CE1 4.39Å; L130-F212 HydrophobicContact CB-CZ 4.32Å; L130-F212 HydrophobicContact CD1-CD1 4.48Å; L130-F212 HydrophobicContact CD1-CE1 4.25Å; L130-V215 HydrophobicContact CD1-CG1 3.64Å |
| 131 | S | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 141.8 | 173.6 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | L121 V133 T146 H148 | L121-S131 PolarHBondContact N-O 3.46Å; L121-S131 PolarHBondContact O-N 2.91Å; S131-V133 PolarHBondContact OG-N 2.91Å; S131-V133 PolarHBondContact OG-O 2.95Å; S131-V133 VanDerWaalsContact OG-O 3.05Å; S131-T146 WeakPolarHBondContact OG-CB 3.41Å; S131-T146 PolarHBondContact OG-OG1 3.36Å; S131-H148 PolarHBondContact OG-O 3.12Å |
| 132 | L | 91.3 | Very high | 92.1 | Very high | 38 Ų | 38 | 60.4 Ų | 60.4 | 20% | 0.199 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -95.5 | -26 | 173.3 | -64.5 | 170.5 | 0 | 0 | 0 | 112.3 | L109 S117 I120 V129 I150 | L109-L132 HydrophobicContact CD1-CD1 3.4Å; L109-L132 VanDerWaalsContact CD1-CD1 3.4Å; L109-L132 HydrophobicContact CD2-CD1 3.91Å; L109-L132 HydrophobicContact CG-CD1 3.53Å; S117-L132 WeakPolarHBondContact CB-O 3.3Å; S117-L132 PolarHBondContact OG-O 2.74Å; I120-L132 HydrophobicContact CD1-CD2 4.41Å; I120-L132 HydrophobicContact CG1-CD2 4.33Å; I120-L132 HydrophobicContact CG2-CD2 4.09Å; V129-L132 HydrophobicContact CG1-CD2 3.84Å; V129-L132 HydrophobicContact CG1-CG 4.1Å; L132-I150 HydrophobicContact CB-CD1 4.28Å; L132-I150 HydrophobicContact CD1-CD1 3.65Å; L132-I150 HydrophobicContact CG-CD1 3.61Å |
| 133 | V | 89.7 | Confident | 92 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -114.8 | 97.4 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | S131 T146 | S131-V133 PolarHBondContact OG-N 2.91Å; S131-V133 PolarHBondContact OG-O 2.95Å; S131-V133 VanDerWaalsContact OG-O 3.05Å; V133-T146 WeakPolarHBondContact O-CB 3.5Å; V133-T146 PolarHBondContact O-OG1 3.03Å |
| 134 | S | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -123.3 | 154.2 | 177.2 | 75.9 | 0 | 0 | 0 | 0 | 111.8 | D118 A119 | D118-S134 PolarHBondContact N-O 2.92Å; A119-S134 PolarHBondContact N-OG 3.2Å; A119-S134 PolarHBondContact O-OG 2.93Å | ||
| 135 | H | 91.9 | Very high | 91.9 | Very high | 58 Ų | 58 | 63 Ų | 63 | 27% | 0.269 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.5 | 175.1 | -62.3 | -57.2 | 0 | 0 | 0 | 109.6 | D118 Y144 Y145 | D118-H135 VanDerWaalsContact OD2-CA 3.26Å; D118-H135 WeakPolarHBondContact OD2-CA 3.22Å; H135-Y144 CarbonylContact O-C 3.48Å; H135-Y144 VanDerWaalsContact O-CA 3.3Å; H135-Y144 WeakPolarHBondContact O-CA 3.34Å; H135-Y145 HydrophobicContact CB-CD1 4.08Å; H135-Y145 HydrophobicContact CB-CD2 4.14Å; H135-Y145 HydrophobicContact CB-CE1 3.53Å; H135-Y145 HydrophobicContact CB-CE2 3.61Å; H135-Y145 HydrophobicContact CB-CG 4.37Å; H135-Y145 WeakPolarHBondContact CB-OH 3.48Å; H135-Y145 AromaticContact CD2-CE2 3.86Å; H135-Y145 PolarHBondContact N-O 2.93Å; H135-Y145 VanDerWaalsContact O-CD1 3.29Å; H135-Y145 WeakPolarHBondContact O-CD1 3.23Å; H135-Y145 PolarHBondContact O-N 3.27Å |
| 136 | R | 92.8 | Very high | 91.8 | Very high | 93 Ų | 93 | 60.4 Ų | 60.4 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 138.8 | 178.4 | -179.1 | 174.5 | -98.1 | -147.4 | -6.3 | 110.2 | D118 K141 Y144 | D118-R136 HydrophobicContact CB-CB 4.41Å; D118-R136 PolarHBondContact OD2-N 3.4Å; R136-K141 PolarHBondContact NE-O 2.83Å; R136-K141 PolarHBondContact NH2-O 2.89Å; R136-Y144 HydrophobicContact CB-CD1 4Å; R136-Y144 HydrophobicContact CB-CE1 3.8Å; R136-Y144 HydrophobicContact CG-CE1 4.12Å; R136-Y144 PolarHBondContact NE-OH 3.24Å; R136-Y144 PolarHBondContact NH2-OH 3.49Å |
| 137 | H | 90.6 | Very high | 91.6 | Very high | 45 Ų | 45 | 63.9 Ų | 63.9 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | trans | -64.6 | 133.5 | 175.8 | -172.8 | -94.3 | 0 | 0 | 0 | 110.8 | H139 F140 Q143 | H137-H139 VanDerWaalsContact C-N 3.27Å; H137-H139 AromaticContact CE1-CD2 3.9Å; H137-H139 PolarHBondContact ND1-N 3.29Å; H137-H139 PolarHBondContact O-N 3.44Å; H137-F140 HydrophobicContact CB-CB 4.28Å; H137-F140 AromaticContact CE1-CD2 3.48Å; H137-F140 VanDerWaalsContact CE1-CD2 3.48Å; H137-F140 WeakPolarHBondContact CE1-CD2 3.38Å; H137-F140 AromaticContact ND1-CD2 3.34Å; H137-F140 VanDerWaalsContact ND1-CD2 3.34Å; H137-F140 WeakPolarHBondContact ND1-CD2 3.47Å; H137-F140 AromaticContact ND1-CG 3.88Å; H137-F140 PolarHBondContact ND1-N 2.9Å; H137-F140 VanDerWaalsContact ND1-N 3.19Å; H137-F140 PolarHBondContact O-N 2.93Å; H137-Q143 HydrophobicContact CB-CB 3.85Å; H137-Q143 WeakPolarHBondContact CB-O 3.46Å; H137-Q143 PolarHBondContact N-O 3.23Å | ||
| 138 | P | 87.4 | Confident | 91.4 | Very high | 111 Ų | 111 | 60.8 Ų | 60.8 | 72% | 0.721 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -58.1 | -34.9 | -175.1 | -27.5 | 34.6 | 0 | 0 | 0 | 114.7 | ||
| 139 | H | 86.9 | Confident | 91.2 | Very high | 159 Ų | 159 | 62.4 Ų | 62.4 | 74% | 0.736 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -98.2 | -24.7 | -178.2 | -61.2 | -71.6 | 0 | 0 | 0 | 114.1 | H137 | H137-H139 VanDerWaalsContact C-N 3.27Å; H137-H139 AromaticContact CE1-CD2 3.9Å; H137-H139 PolarHBondContact ND1-N 3.29Å; H137-H139 PolarHBondContact O-N 3.44Å |
| 140 | F | 88.4 | Confident | 91.1 | Very high | 108 Ų | 108 | 61.6 Ų | 61.6 | 47% | 0.474 | 30% | 0.301 | S | S | . | . | trans | -122.4 | 100.8 | -169.7 | -64.9 | -61.1 | 0 | 0 | 0 | 109.2 | H137 T142 Q143 | H137-F140 HydrophobicContact CB-CB 4.28Å; H137-F140 AromaticContact CE1-CD2 3.48Å; H137-F140 VanDerWaalsContact CE1-CD2 3.48Å; H137-F140 WeakPolarHBondContact CE1-CD2 3.38Å; H137-F140 AromaticContact ND1-CD2 3.34Å; H137-F140 VanDerWaalsContact ND1-CD2 3.34Å; H137-F140 WeakPolarHBondContact ND1-CD2 3.47Å; H137-F140 AromaticContact ND1-CG 3.88Å; H137-F140 PolarHBondContact ND1-N 2.9Å; H137-F140 VanDerWaalsContact ND1-N 3.19Å; H137-F140 PolarHBondContact O-N 2.93Å; F140-T142 PolarHBondContact O-N 3.02Å; F140-T142 VanDerWaalsContact O-N 3.12Å; F140-Q143 HydrophobicContact CB-CB 3.93Å; F140-Q143 HydrophobicContact CB-CG 3.84Å; F140-Q143 PolarHBondContact O-N 3.1Å | ||
| 141 | K | 85.9 | Confident | 91.1 | Very high | 156 Ų | 156 | 64.5 Ų | 64.5 | 68% | 0.678 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -28.3 | -177.3 | -70.8 | -173.3 | -179.8 | -178 | 0 | 113.4 | R136 | R136-K141 PolarHBondContact NE-O 2.83Å; R136-K141 PolarHBondContact NH2-O 2.89Å |
| 142 | T | 88.7 | Confident | 91.1 | Very high | 106 Ų | 106 | 65.8 Ų | 65.8 | 65% | 0.65 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -6 | -179.2 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | F140 | F140-T142 PolarHBondContact O-N 3.02Å; F140-T142 VanDerWaalsContact O-N 3.12Å |
| 143 | Q | 92.7 | Very high | 91.2 | Very high | 46 Ų | 46 | 68 Ų | 68 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | trans | -104.9 | 139.5 | -179.2 | -65.6 | 177.4 | 11.2 | 0 | 0 | 110.1 | H137 F140 F212 | H137-Q143 HydrophobicContact CB-CB 3.85Å; H137-Q143 WeakPolarHBondContact CB-O 3.46Å; H137-Q143 PolarHBondContact N-O 3.23Å; F140-Q143 HydrophobicContact CB-CB 3.93Å; F140-Q143 HydrophobicContact CB-CG 3.84Å; F140-Q143 PolarHBondContact O-N 3.1Å; Q143-F212 WeakPolarHBondContact CA-O 3.48Å | ||
| 144 | Y | 95 | Very high | 91.4 | Very high | 8 Ų | 8 | 70.6 Ų | 70.6 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 155.4 | 178 | -64.2 | -92.2 | 0 | 0 | 0 | 109.1 | A119 L121 H135 R136 F212 V215 A217 H219 | A119-Y144 HydrophobicContact CB-CD1 4.44Å; A119-Y144 HydrophobicContact CB-CE1 3.9Å; L121-Y144 HydrophobicContact CD1-CG 4.37Å; L121-Y144 HydrophobicContact CD2-CD1 4.09Å; L121-Y144 HydrophobicContact CD2-CD2 3.89Å; L121-Y144 HydrophobicContact CD2-CE2 4.37Å; L121-Y144 HydrophobicContact CD2-CG 3.73Å; H135-Y144 CarbonylContact O-C 3.48Å; H135-Y144 VanDerWaalsContact O-CA 3.3Å; H135-Y144 WeakPolarHBondContact O-CA 3.34Å; R136-Y144 HydrophobicContact CB-CD1 4Å; R136-Y144 HydrophobicContact CB-CE1 3.8Å; R136-Y144 HydrophobicContact CG-CE1 4.12Å; R136-Y144 PolarHBondContact NE-OH 3.24Å; R136-Y144 PolarHBondContact NH2-OH 3.49Å; Y144-F212 PolarHBondContact N-O 2.94Å; Y144-F212 VanDerWaalsContact N-O 3.15Å; Y144-F212 PolarHBondContact O-N 3.13Å; Y144-V215 HydrophobicContact CD2-CG2 4.08Å; Y144-A217 HydrophobicContact CE2-CB 3.78Å; Y144-H219 PolarHBondContact OH-CE1 3.49Å; Y144-H219 PolarHBondContact OH-NE2 2.98Å |
| 145 | Y | 93.9 | Very high | 91.3 | Very high | 70 Ų | 70 | 73 Ų | 73 | 28% | 0.275 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.7 | 170.9 | 67 | -87.4 | 0 | 0 | 0 | 110.7 | H135 V209 I210 | H135-Y145 HydrophobicContact CB-CD1 4.08Å; H135-Y145 HydrophobicContact CB-CD2 4.14Å; H135-Y145 HydrophobicContact CB-CE1 3.53Å; H135-Y145 HydrophobicContact CB-CE2 3.61Å; H135-Y145 HydrophobicContact CB-CG 4.37Å; H135-Y145 WeakPolarHBondContact CB-OH 3.48Å; H135-Y145 AromaticContact CD2-CE2 3.86Å; H135-Y145 PolarHBondContact N-O 2.93Å; H135-Y145 VanDerWaalsContact O-CD1 3.29Å; H135-Y145 WeakPolarHBondContact O-CD1 3.23Å; H135-Y145 PolarHBondContact O-N 3.27Å; Y145-V209 HydrophobicContact CD2-CG1 3.71Å; Y145-V209 HydrophobicContact CG-CG1 4.09Å; Y145-I210 CarbonylContact C-O 3.59Å; Y145-I210 WeakPolarHBondContact CA-O 3.27Å; Y145-I210 WeakPolarHBondContact CB-O 3.39Å |
| 146 | T | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 152.3 | 176.7 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | S131 V133 H148 P149 V209 I210 F212 | S131-T146 WeakPolarHBondContact OG-CB 3.41Å; S131-T146 PolarHBondContact OG-OG1 3.36Å; V133-T146 WeakPolarHBondContact O-CB 3.5Å; V133-T146 PolarHBondContact O-OG1 3.03Å; T146-H148 PolarHBondContact OG1-N 2.97Å; T146-P149 HydrophobicContact CG2-CB 4.22Å; T146-V209 WeakPolarHBondContact O-CA 3.44Å; T146-I210 HydrophobicContact CG2-CB 4.36Å; T146-I210 PolarHBondContact N-O 2.82Å; T146-I210 PolarHBondContact O-N 2.7Å; T146-F212 HydrophobicContact CG2-CD2 4.39Å; T146-F212 HydrophobicContact CG2-CE2 3.36Å; T146-F212 HydrophobicContact CG2-CZ 3.93Å |
| 147 | E | 91.1 | Very high | 90.7 | Very high | 121 Ų | 121 | 78.3 Ų | 78.3 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -99.4 | -12.2 | 165.1 | -66.1 | 175.3 | -179.4 | 0 | 0 | 111.7 | P149 V209 | E147-P149 VanDerWaalsContact O-CD 3.22Å; E147-P149 WeakPolarHBondContact O-CD 3.48Å; E147-V209 HydrophobicContact CG-CG2 3.91Å |
| 148 | H | 90.7 | Very high | 90.4 | Very high | 75 Ų | 75 | 81.3 Ų | 81.3 | 35% | 0.347 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -122 | 68 | -173.1 | -56.5 | 93.2 | 0 | 0 | 0 | 110.3 | P110 S131 T146 | P110-H148 HydrophobicContact CB-CB 4.47Å; S131-H148 PolarHBondContact OG-O 3.12Å; T146-H148 PolarHBondContact OG1-N 2.97Å |
| 149 | P | 91.8 | Very high | 90.2 | Very high | 54 Ų | 54 | 80.4 Ų | 80.4 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -69.8 | 146.7 | 175.2 | 33.5 | -39 | 0 | 0 | 0 | 111.3 | L130 T146 E147 C152 I210 | L130-P149 CarbonylContact O-C 3.53Å; L130-P149 WeakPolarHBondContact O-CA 3.18Å; T146-P149 HydrophobicContact CG2-CB 4.22Å; E147-P149 VanDerWaalsContact O-CD 3.22Å; E147-P149 WeakPolarHBondContact O-CD 3.48Å; P149-C152 HydrophobicContact CB-CB 3.99Å; P149-I210 HydrophobicContact CB-CD1 3.67Å; P149-I210 HydrophobicContact CG-CD1 3.58Å |
| 150 | I | 91.9 | Very high | 90.1 | Very high | 35 Ų | 35 | 76.1 Ų | 76.1 | 18% | 0.179 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -124 | 139.1 | 173.5 | -50.7 | 174.9 | 0 | 0 | 0 | 105.7 | P110 V129 L130 L132 C152 | P110-I150 HydrophobicContact CB-CD1 3.9Å; P110-I150 HydrophobicContact CB-CG1 3.99Å; P110-I150 HydrophobicContact CG-CD1 3.66Å; P110-I150 HydrophobicContact CG-CG1 3.91Å; V129-I150 HydrophobicContact CG1-CD1 4.38Å; L130-I150 CarbonylContact C-O 3.57Å; L130-I150 VanDerWaalsContact CA-O 3.23Å; L130-I150 WeakPolarHBondContact CA-O 3.47Å; L130-I150 PolarHBondContact O-N 2.61Å; L132-I150 HydrophobicContact CB-CD1 4.28Å; L132-I150 HydrophobicContact CD1-CD1 3.65Å; L132-I150 HydrophobicContact CG-CD1 3.61Å; I150-C152 PolarHBondContact O-N 3.4Å; I150-C152 VanDerWaalsContact O-N 3.11Å; I150-C152 PolarHBondContact O-SG 3.22Å; I150-C152 VanDerWaalsContact O-SG 3.39Å |
| 151 | N | 93.8 | Very high | 89.7 | Confident | 61 Ų | 61 | 75.4 Ų | 75.4 | 33% | 0.326 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 54.9 | 32.6 | 177.6 | -55.3 | -40.8 | 0 | 0 | 0 | 115.5 | V129 K194 V195 | V129-N151 PolarHBondContact O-ND2 3.05Å; N151-K194 HydrophobicContact CB-CB 4.44Å; N151-K194 VanDerWaalsContact O-CB 3.3Å; N151-K194 WeakPolarHBondContact O-CB 3.24Å; N151-K194 PolarHBondContact O-N 2.86Å; N151-V195 HydrophobicContact CB-CG2 4.38Å |
| 152 | C | 93.8 | Very high | 89.1 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 142.5 | 174.4 | -63.3 | 0 | 0 | 0 | 0 | 110.7 | P149 I150 V191 T192 | P149-C152 HydrophobicContact CB-CB 3.99Å; I150-C152 PolarHBondContact O-N 3.4Å; I150-C152 VanDerWaalsContact O-N 3.11Å; I150-C152 PolarHBondContact O-SG 3.22Å; I150-C152 VanDerWaalsContact O-SG 3.39Å; C152-V191 HydrophobicContact CB-CG1 3.69Å; C152-T192 CarbonylContact C-O 3.44Å; C152-T192 WeakPolarHBondContact CA-O 3.47Å |
| 153 | L | 94.4 | Very high | 88.1 | Confident | 85 Ų | 85 | 72.9 Ų | 72.9 | 45% | 0.445 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136.2 | 170.2 | -68.8 | 175.9 | 0 | 0 | 0 | 109.3 | V191 T192 K194 | L153-V191 WeakPolarHBondContact O-CA 3.3Å; L153-T192 PolarHBondContact N-O 3.47Å; L153-T192 PolarHBondContact O-N 2.96Å; L153-K194 HydrophobicContact CD1-CB 4.23Å; L153-K194 HydrophobicContact CD1-CG 4.11Å; L153-K194 HydrophobicContact CD2-CB 4.4Å; L153-K194 HydrophobicContact CD2-CD 4.34Å; L153-K194 HydrophobicContact CD2-CG 4.08Å; L153-K194 HydrophobicContact CG-CB 3.83Å; L153-K194 HydrophobicContact CG-CG 3.94Å |
| 154 | L | 92.6 | Very high | 86.7 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 34% | 0.335 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.9 | 176.5 | -61.7 | 173.2 | 0 | 0 | 0 | 108.4 | V191 K203 I210 | L154-V191 HydrophobicContact CD2-CB 4.17Å; L154-V191 HydrophobicContact CD2-CG1 4.08Å; L154-V191 HydrophobicContact CD2-CG2 3.31Å; L154-K203 HydrophobicContact CD1-CD 3.58Å; L154-K203 HydrophobicContact CD2-CB 3.85Å; L154-K203 HydrophobicContact CD2-CD 3.97Å; L154-K203 HydrophobicContact CD2-CG 4.47Å; L154-K203 HydrophobicContact CG-CD 4.43Å; L154-I210 HydrophobicContact CD2-CD1 4.08Å; L154-I210 HydrophobicContact CD2-CG1 4.46Å |
| 155 | D | 90.1 | Very high | 84.9 | Confident | 50 Ų | 50 | 78.8 Ų | 78.8 | 27% | 0.267 | 42% | 0.415 | S | S | . | . | trans | -96.8 | 96.1 | 169.8 | -172.8 | -2.2 | 0 | 0 | 0 | 109.5 | T157 Q158 H189 P190 | D155-T157 PolarHBondContact O-N 3.36Å; D155-T157 WeakPolarHBondContact OD1-CB 3.17Å; D155-T157 PolarHBondContact OD1-N 2.86Å; D155-T157 PolarHBondContact OD1-OG1 3.43Å; D155-Q158 PolarHBondContact O-N 2.92Å; D155-Q158 VanDerWaalsContact OD2-CD 3.26Å; D155-Q158 WeakPolarHBondContact OD2-CG 3.41Å; D155-Q158 PolarHBondContact OD2-NE2 3.26Å; D155-H189 PolarHBondContact O-ND1 3.21Å; D155-P190 HydrophobicContact CB-CG 4.23Å; D155-P190 PolarHBondContact N-O 3.46Å | ||
| 156 | E | 87 | Confident | 83.1 | Confident | 143 Ų | 143 | 82.2 Ų | 82.2 | 67% | 0.668 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.9 | 179.9 | -62.7 | -177.8 | 173.2 | 0 | 0 | 112.7 | Q158 H189 | E156-Q158 VanDerWaalsContact C-N 3.33Å; E156-H189 PolarHBondContact O-CE1 3.18Å |
| 157 | T | 86 | Confident | 81.3 | Confident | 121 Ų | 121 | 88.1 Ų | 88.1 | 74% | 0.742 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -23.8 | 179.9 | 71.8 | 0 | 0 | 0 | 0 | 112.4 | D155 | D155-T157 PolarHBondContact O-N 3.36Å; D155-T157 WeakPolarHBondContact OD1-CB 3.17Å; D155-T157 PolarHBondContact OD1-N 2.86Å; D155-T157 PolarHBondContact OD1-OG1 3.43Å |
| 158 | Q | 83.2 | Confident | 79.5 | Confident | 107 Ų | 107 | 90.1 Ų | 90.1 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | trans | -103 | 130.2 | -178.3 | -64.5 | -175.4 | 37.3 | 0 | 0 | 110.4 | D155 E156 H189 P190 | D155-Q158 PolarHBondContact O-N 2.92Å; D155-Q158 VanDerWaalsContact OD2-CD 3.26Å; D155-Q158 WeakPolarHBondContact OD2-CG 3.41Å; D155-Q158 PolarHBondContact OD2-NE2 3.26Å; E156-Q158 VanDerWaalsContact C-N 3.33Å; Q158-H189 PolarHBondContact O-ND1 2.81Å; Q158-P190 HydrophobicContact CB-CG 3.76Å; Q158-P190 VanDerWaalsContact O-CD 3.27Å; Q158-P190 WeakPolarHBondContact O-CD 3.41Å | ||
| 159 | I | 84.2 | Confident | 77.6 | Confident | 93 Ų | 93 | 94.2 Ų | 94.2 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | trans | -117.9 | 120.7 | 174.9 | -59.4 | 174.4 | 0 | 0 | 0 | 108.8 | E187 I205 | I159-E187 HydrophobicContact CG2-CB 3.72Å; I159-E187 HydrophobicContact CG2-CG 3.79Å; I159-I205 HydrophobicContact CD1-CD1 4.4Å; I159-I205 HydrophobicContact CG1-CD1 4.42Å; I159-I205 HydrophobicContact CG2-CD1 4.36Å | ||
| 160 | I | 83.6 | Confident | 75.5 | Confident | 69 Ų | 69 | 95.8 Ų | 95.8 | 35% | 0.354 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.5 | 173.1 | -57.2 | 171.1 | 0 | 0 | 0 | 107.4 | Y188 P190 | I160-Y188 PolarHBondContact N-O 2.99Å; I160-Y188 PolarHBondContact O-N 3.45Å; I160-P190 HydrophobicContact CD1-CB 3.87Å; I160-P190 HydrophobicContact CD1-CG 4.19Å |
| 161 | T | 79.7 | Confident | 73.6 | Confident | 93 Ų | 93 | 103.5 Ų | 103.5 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92 | 129.4 | 172.9 | 46.7 | 0 | 0 | 0 | 0 | 109.9 | E187 | T161-E187 HydrophobicContact CG2-CG 3.99Å |
| 162 | R | 73.3 | Confident | 71.3 | Confident | 100 Ų | 100 | 110.6 Ų | 110.6 | 38% | 0.377 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.7 | 169.6 | -66.6 | -177.8 | 173.9 | 161.7 | 1.1 | 109.4 | I164 K186 Y188 C202 | R162-I164 PolarHBondContact O-N 3.4Å; R162-K186 PolarHBondContact N-O 3.23Å; R162-K186 PolarHBondContact O-N 3.05Å; R162-Y188 HydrophobicContact CB-CD2 4.3Å; R162-Y188 HydrophobicContact CB-CE2 3.9Å; R162-Y188 HydrophobicContact CG-CD2 4.17Å; R162-Y188 HydrophobicContact CG-CE2 4.17Å; R162-C202 PolarHBondContact NH1-SG 2.81Å |
| 163 | T | 67.8 | Low | 69.1 | Low | 108 Ų | 108 | 114.6 Ų | 114.6 | 66% | 0.663 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 105.1 | 171.4 | 45.8 | 0 | 0 | 0 | 0 | 108.7 | S165 T185 | T163-S165 PolarHBondContact O-N 2.84Å; T163-T185 HydrophobicContact CG2-CG2 4.26Å |
| 164 | I | 64.7 | Low | 67 | Low | 85 Ų | 85 | 115.6 Ų | 115.6 | 44% | 0.436 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.6 | 92.3 | 171.6 | -54 | 174.7 | 0 | 0 | 0 | 106.7 | R162 K166 K186 | R162-I164 PolarHBondContact O-N 3.4Å; I164-K166 PolarHBondContact O-N 2.9Å; I164-K186 HydrophobicContact CD1-CD 3.85Å; I164-K186 HydrophobicContact CD1-CG 4.4Å |
| 165 | S | 56.2 | Low | 64.9 | Low | 94 Ų | 94 | 120.6 Ų | 120.6 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | trans | -68.7 | 117.1 | 168.5 | -170.3 | 0 | 0 | 0 | 0 | 107.9 | T163 | T163-S165 PolarHBondContact O-N 2.84Š| ||
| 166 | K | 56.2 | Low | 62.4 | Low | 142 Ų | 142 | 125.9 Ų | 125.9 | 62% | 0.617 | 67% | 0.673 | S | S | * | * | trans | -64.1 | 134.5 | 169.8 | -72.5 | 177.7 | 177.7 | 177.5 | 0 | 107.7 | I164 H168 | I164-K166 PolarHBondContact O-N 2.9Å; K166-H168 PolarHBondContact O-N 3.29Å | ||
| 167 | P | 54.4 | Low | 60.2 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 81% | 0.805 | 67% | 0.672 | S | S | * | * | trans | -59.5 | 112.2 | 173.6 | 23.7 | -31.2 | 0 | 0 | 0 | 108.5 | N169 | P167-N169 PolarHBondContact O-N 2.87Š| ||
| 168 | H | 54.9 | Low | 58.2 | Low | 162 Ų | 162 | 126.6 Ų | 126.6 | 75% | 0.75 | 68% | 0.683 | S | S | * | * | trans | -68.5 | 102.9 | 176 | -173.4 | -80.4 | 0 | 0 | 0 | 107.5 | K166 A170 | K166-H168 PolarHBondContact O-N 3.29Å; H168-A170 VanDerWaalsContact C-N 3.26Å; H168-A170 PolarHBondContact O-N 3.36Å | ||
| 169 | N | 51.1 | Low | 56 | Low | 161 Ų | 161 | 129 Ų | 129 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | trans | -60.9 | 96.3 | 163.5 | -96.7 | -27.7 | 0 | 0 | 0 | 107.3 | P167 K171 | P167-N169 PolarHBondContact O-N 2.87Å; N169-K171 VanDerWaalsContact C-N 3.33Å; N169-K171 PolarHBondContact O-N 3.15Å | ||
| 170 | A | 46.9 | Very low | 53.9 | Low | 87 Ų | 87 | 128.7 Ų | 128.7 | 72% | 0.719 | 70% | 0.701 | S | S | * | * | trans | -67.1 | 88.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | H168 | H168-A170 VanDerWaalsContact C-N 3.26Å; H168-A170 PolarHBondContact O-N 3.36Å | ||
| 171 | K | 50.7 | Low | 51.9 | Low | 197 Ų | 197 | 132.3 Ų | 132.3 | 86% | 0.857 | 72% | 0.721 | S | S | * | * | trans | -109.2 | 119.8 | 155.6 | -84.6 | -174.5 | 176.2 | 179.4 | 0 | 109.1 | N169 | N169-K171 VanDerWaalsContact C-N 3.33Å; N169-K171 PolarHBondContact O-N 3.15Å | ||
| 172 | K | 46.9 | Very low | 50.5 | Low | 211 Ų | 211 | 137 Ų | 137 | 92% | 0.917 | 73% | 0.728 | S | S | * | * | trans | -40.5 | 127 | 171.2 | -73.6 | 167.7 | 166.9 | 175.6 | 0 | 113.5 | ||||
| 173 | S | 47.8 | Very low | 49.6 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | 170.6 | 106.8 | 141 | 52.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 174 | S | 50.3 | Low | 49.4 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | 86.2 | 102.6 | 94.4 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 175 | E | 47.6 | Very low | 49.7 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 35.7 | 125.3 | 149.6 | -74.2 | 170 | 120.3 | 0 | 0 | 120.5 | ||
| 176 | N | 36.9 | Very low | 50.9 | Low | 160 Ų | 160 | 133.4 Ų | 133.4 | 86% | 0.856 | 71% | 0.709 | S | S | * | * | trans | 68.4 | 81.6 | 156 | -65.9 | -15.2 | 0 | 0 | 0 | 117.8 | ||||
| 177 | S | 41.8 | Very low | 52.4 | Low | 93 Ų | 93 | 131.1 Ų | 131.1 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | trans | -154.2 | 121 | 137.6 | -156.7 | 0 | 0 | 0 | 0 | 111.7 | E179 | S177-E179 PolarHBondContact O-N 2.95Š| ||
| 178 | L | 43.6 | Very low | 54.1 | Low | 186 Ų | 186 | 126 Ų | 126 | 97% | 0.974 | 67% | 0.665 | S | S | * | * | trans | -72.5 | 65.2 | 172.5 | -76.5 | 158.7 | 0 | 0 | 0 | 109.9 | ||||
| 179 | E | 37.7 | Very low | 55.9 | Low | 157 Ų | 157 | 119.5 Ų | 119.5 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | trans | -142 | 109.6 | -177.7 | -70.4 | -172 | 137.7 | 0 | 0 | 113.3 | S177 | S177-E179 PolarHBondContact O-N 2.95Š| ||
| 180 | S | 39.5 | Very low | 58 | Low | 88 Ų | 88 | 112.5 Ų | 112.5 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | trans | 70 | 67 | 150.4 | 74 | 0 | 0 | 0 | 0 | 118.6 | R182 | S180-R182 PolarHBondContact O-N 2.94Š| ||
| 181 | N | 42.8 | Very low | 60.2 | Low | 145 Ų | 145 | 108.4 Ų | 108.4 | 78% | 0.775 | 56% | 0.564 | S | S | * | * | trans | -69.9 | 81.4 | 154.8 | -145.7 | -15.3 | 0 | 0 | 0 | 108 | N183 | N181-N183 PolarHBondContact O-N 2.74Š| ||
| 182 | R | 48.8 | Very low | 62.4 | Low | 192 Ų | 192 | 101 Ų | 101 | 73% | 0.725 | 54% | 0.536 | S | S | * | . | trans | -70.8 | 65.4 | 179.4 | -63.8 | -173 | -173.6 | 176.1 | 2.6 | 110.1 | S180 V184 | S180-R182 PolarHBondContact O-N 2.94Å; R182-V184 PolarHBondContact O-N 3.39Å; R182-V184 VanDerWaalsContact O-N 3.1Å | ||
| 183 | N | 55.4 | Low | 64.7 | Low | 82 Ų | 82 | 91 Ų | 91 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | trans | -66.3 | 101.2 | 160.3 | -70 | -27.5 | 0 | 0 | 0 | 106.1 | N181 T185 | N181-N183 PolarHBondContact O-N 2.74Å; N183-T185 PolarHBondContact O-N 3.38Å; N183-T185 VanDerWaalsContact O-N 3.11Å | ||
| 184 | V | 63.4 | Low | 67 | Low | 78 Ų | 78 | 92.1 Ų | 92.1 | 47% | 0.473 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 97.8 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 106.2 | R182 K186 | R182-V184 PolarHBondContact O-N 3.39Å; R182-V184 VanDerWaalsContact O-N 3.1Å; V184-K186 HydrophobicContact CG1-CG 4.19Å; V184-K186 PolarHBondContact O-N 3.34Å |
| 185 | T | 70.5 | Confident | 69.2 | Low | 85 Ų | 85 | 91.6 Ų | 91.6 | 52% | 0.521 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 113.6 | 169.3 | 46.1 | 0 | 0 | 0 | 0 | 107.8 | T163 N183 | T163-T185 HydrophobicContact CG2-CG2 4.26Å; N183-T185 PolarHBondContact O-N 3.38Å; N183-T185 VanDerWaalsContact O-N 3.11Å |
| 186 | K | 81.9 | Confident | 71.5 | Confident | 66 Ų | 66 | 86.3 Ų | 86.3 | 29% | 0.287 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.3 | 171.8 | -71.9 | -171.7 | 170.5 | -154.1 | 0 | 109.3 | R162 I164 V184 Y188 E204 | R162-K186 PolarHBondContact N-O 3.23Å; R162-K186 PolarHBondContact O-N 3.05Å; I164-K186 HydrophobicContact CD1-CD 3.85Å; I164-K186 HydrophobicContact CD1-CG 4.4Å; V184-K186 HydrophobicContact CG1-CG 4.19Å; V184-K186 PolarHBondContact O-N 3.34Å; K186-Y188 HydrophobicContact CB-CD2 4.38Å; K186-Y188 HydrophobicContact CB-CE2 3.43Å; K186-Y188 VanDerWaalsContact CB-CE2 3.43Å; K186-Y188 WeakPolarHBondContact CB-OH 3.36Å; K186-Y188 VanDerWaalsContact CD-OH 3.26Å; K186-Y188 WeakPolarHBondContact CD-OH 3.5Å; K186-Y188 WeakPolarHBondContact O-CD2 3.27Å; K186-Y188 WeakPolarHBondContact O-CE2 3.42Å; K186-E204 VanDerWaalsContact CD-OE1 3.29Å; K186-E204 WeakPolarHBondContact CD-OE1 3.44Å; K186-E204 VanDerWaalsContact CE-OE1 3.28Å; K186-E204 WeakPolarHBondContact CE-OE1 3.37Å; K186-E204 IonicContact NZ-OE1 2.71Å; K186-E204 PolarHBondContact NZ-OE1 3.5Å; K186-E204 IonicContact NZ-OE2 3.62Å |
| 187 | E | 87.7 | Confident | 74.2 | Confident | 93 Ų | 93 | 80.9 Ų | 80.9 | 44% | 0.435 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 139.3 | 178.8 | -70.2 | 177 | -175.3 | 0 | 0 | 109.9 | I159 T161 I205 | I159-E187 HydrophobicContact CG2-CB 3.72Å; I159-E187 HydrophobicContact CG2-CG 3.79Å; T161-E187 HydrophobicContact CG2-CG 3.99Å; E187-I205 HydrophobicContact CB-CD1 3.41Å; E187-I205 VanDerWaalsContact CB-CD1 3.41Å; E187-I205 HydrophobicContact CB-CG1 4.03Å; E187-I205 HydrophobicContact CG-CD1 4.49Å; E187-I205 WeakPolarHBondContact O-CG1 3.2Å; E187-I205 PolarHBondContact O-N 3Å; E187-I205 WeakPolarHBondContact OE2-CD1 3.37Å |
| 188 | Y | 90.9 | Very high | 76.8 | Confident | 16 Ų | 16 | 79.4 Ų | 79.4 | 6% | 0.063 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.9 | -175.8 | -59.7 | -92.8 | 0 | 0 | 0 | 111.6 | I160 R162 K186 C202 K203 E204 Y211 | I160-Y188 PolarHBondContact N-O 2.99Å; I160-Y188 PolarHBondContact O-N 3.45Å; R162-Y188 HydrophobicContact CB-CD2 4.3Å; R162-Y188 HydrophobicContact CB-CE2 3.9Å; R162-Y188 HydrophobicContact CG-CD2 4.17Å; R162-Y188 HydrophobicContact CG-CE2 4.17Å; K186-Y188 HydrophobicContact CB-CD2 4.38Å; K186-Y188 HydrophobicContact CB-CE2 3.43Å; K186-Y188 VanDerWaalsContact CB-CE2 3.43Å; K186-Y188 WeakPolarHBondContact CB-OH 3.36Å; K186-Y188 VanDerWaalsContact CD-OH 3.26Å; K186-Y188 WeakPolarHBondContact CD-OH 3.5Å; K186-Y188 WeakPolarHBondContact O-CD2 3.27Å; K186-Y188 WeakPolarHBondContact O-CE2 3.42Å; Y188-C202 HydrophobicContact CD1-CB 4.46Å; Y188-K203 CarbonylContact C-O 3.59Å; Y188-K203 WeakPolarHBondContact CA-O 3.35Å; Y188-E204 HydrophobicContact CD1-CB 3.85Å; Y188-E204 HydrophobicContact CE1-CB 3.69Å; Y188-E204 HydrophobicContact CE1-CG 4.13Å; Y188-Y211 HydrophobicContact CE1-CD2 4.42Å; Y188-Y211 HydrophobicContact CE1-CE2 4.34Å |
| 189 | H | 92.4 | Very high | 79.2 | Confident | 27 Ų | 27 | 74 Ų | 74 | 13% | 0.125 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 132.5 | 168.6 | -67.8 | -58.9 | 0 | 0 | 0 | 110.4 | D155 E156 Q158 C202 K203 | D155-H189 PolarHBondContact O-ND1 3.21Å; E156-H189 PolarHBondContact O-CE1 3.18Å; Q158-H189 PolarHBondContact O-ND1 2.81Å; H189-C202 CarbonylContact O-C 3.43Å; H189-C202 VanDerWaalsContact O-CA 3.26Å; H189-C202 WeakPolarHBondContact O-CA 3.4Å; H189-K203 PolarHBondContact N-O 3.03Å; H189-K203 PolarHBondContact O-N 3.25Å |
| 190 | P | 93.8 | Very high | 81.9 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 145 | 175.1 | 23.8 | -27.5 | 0 | 0 | 0 | 111.4 | D155 Q158 I160 | D155-P190 HydrophobicContact CB-CG 4.23Å; D155-P190 PolarHBondContact N-O 3.46Å; Q158-P190 HydrophobicContact CB-CG 3.76Å; Q158-P190 VanDerWaalsContact O-CD 3.27Å; Q158-P190 WeakPolarHBondContact O-CD 3.41Å; I160-P190 HydrophobicContact CD1-CB 3.87Å; I160-P190 HydrophobicContact CD1-CG 4.19Å |
| 191 | V | 94.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127 | 177.8 | -172 | 0 | 0 | 0 | 0 | 109.5 | C152 L153 L154 V200 G201 K203 I210 | C152-V191 HydrophobicContact CB-CG1 3.69Å; L153-V191 WeakPolarHBondContact O-CA 3.3Å; L154-V191 HydrophobicContact CD2-CB 4.17Å; L154-V191 HydrophobicContact CD2-CG1 4.08Å; L154-V191 HydrophobicContact CD2-CG2 3.31Å; V191-V200 HydrophobicContact CB-CG2 4.26Å; V191-V200 HydrophobicContact CG1-CG2 3.9Å; V191-V200 WeakPolarHBondContact O-CG2 3.43Å; V191-V200 PolarHBondContact O-N 2.81Å; V191-G201 PolarHBondContact N-O 2.85Å; V191-G201 PolarHBondContact O-N 3.18Å; V191-K203 HydrophobicContact CG2-CB 4.11Å; V191-I210 HydrophobicContact CB-CG2 4.37Å; V191-I210 HydrophobicContact CG1-CD1 4.48Å; V191-I210 HydrophobicContact CG1-CG2 4.32Å; V191-I210 HydrophobicContact CG2-CD1 4.43Å; V191-I210 HydrophobicContact CG2-CG1 4.3Å; V191-I210 HydrophobicContact CG2-CG2 3.82Å |
| 192 | T | 95.5 | Very high | 86.9 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 26% | 0.264 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 156.3 | 175.8 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | C152 L153 K194 N198 | C152-T192 CarbonylContact C-O 3.44Å; C152-T192 WeakPolarHBondContact CA-O 3.47Å; L153-T192 PolarHBondContact N-O 3.47Å; L153-T192 PolarHBondContact O-N 2.96Å; T192-K194 PolarHBondContact O-N 3.45Å; T192-N198 CarbonylContact C-O 3.48Å; T192-N198 VanDerWaalsContact CA-O 3.27Å; T192-N198 WeakPolarHBondContact CA-O 3.23Å |
| 193 | C | 96.6 | Very high | 89 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129 | 171.7 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | C123 S128 L130 V195 C196 G197 N198 V200 | C123-C193 HydrophobicContact CB-CB 4.47Å; C123-C193 VanDerWaalsContact SG-SG 3.69Å; S128-C193 PolarHBondContact OG-SG 3.39Å; L130-C193 HydrophobicContact CD2-CB 4.4Å; C193-V195 PolarHBondContact O-N 3.04Å; C193-V195 PolarHBondContact SG-N 2.93Å; C193-V195 VanDerWaalsContact SG-N 3.41Å; C193-C196 VanDerWaalsContact SG-SG 3.66Å; C193-G197 WeakPolarHBondContact O-CA 3.19Å; C193-G197 PolarHBondContact O-N 2.86Å; C193-N198 PolarHBondContact N-O 3.31Å; C193-V200 HydrophobicContact CB-CG1 4.15Å |
| 194 | K | 96 | Very high | 90.7 | Very high | 134 Ų | 134 | 45.3 Ų | 45.3 | 58% | 0.583 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -30.5 | 177.2 | -174.4 | 176.8 | 176.4 | -176.6 | 0 | 113.2 | N151 L153 T192 | N151-K194 HydrophobicContact CB-CB 4.44Å; N151-K194 VanDerWaalsContact O-CB 3.3Å; N151-K194 WeakPolarHBondContact O-CB 3.24Å; N151-K194 PolarHBondContact O-N 2.86Å; L153-K194 HydrophobicContact CD1-CB 4.23Å; L153-K194 HydrophobicContact CD1-CG 4.11Å; L153-K194 HydrophobicContact CD2-CB 4.4Å; L153-K194 HydrophobicContact CD2-CD 4.34Å; L153-K194 HydrophobicContact CD2-CG 4.08Å; L153-K194 HydrophobicContact CG-CB 3.83Å; L153-K194 HydrophobicContact CG-CG 3.94Å; T192-K194 PolarHBondContact O-N 3.45Å |
| 195 | V | 96.1 | Very high | 91.8 | Very high | 94 Ų | 94 | 45 Ų | 45 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -47.9 | -172.4 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | N151 C193 | N151-V195 HydrophobicContact CB-CG2 4.38Å; C193-V195 PolarHBondContact O-N 3.04Å; C193-V195 PolarHBondContact SG-N 2.93Å; C193-V195 VanDerWaalsContact SG-N 3.41Å |
| 196 | C | 96 | Very high | 92.5 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -7.4 | -174.5 | 64.5 | 0 | 0 | 0 | 0 | 114.7 | C126 C193 N198 | C126-C196 HydrophobicContact CB-CB 3.93Å; C126-C196 PolarHBondContact SG-SG 3.43Å; C193-C196 VanDerWaalsContact SG-SG 3.66Å; C196-N198 PolarHBondContact O-N 3.28Å; C196-N198 VanDerWaalsContact SG-CB 3.59Å |
| 197 | G | 94.2 | Very high | 92.8 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 49% | 0.485 | 27% | 0.271 | S | S | . | . | trans | 77.2 | 0.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C193 | C193-G197 WeakPolarHBondContact O-CA 3.19Å; C193-G197 PolarHBondContact O-N 2.86Å | ||
| 198 | N | 94.8 | Very high | 92.8 | Very high | 62 Ų | 62 | 50 Ų | 50 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | trans | -62.5 | 140.1 | -179.2 | -164.6 | 63.6 | 0 | 0 | 0 | 111.5 | T192 C193 C196 V200 | T192-N198 CarbonylContact C-O 3.48Å; T192-N198 VanDerWaalsContact CA-O 3.27Å; T192-N198 WeakPolarHBondContact CA-O 3.23Å; C193-N198 PolarHBondContact N-O 3.31Å; C196-N198 PolarHBondContact O-N 3.28Å; C196-N198 VanDerWaalsContact SG-CB 3.59Å; N198-V200 PolarHBondContact O-N 2.88Å | ||
| 199 | S | 94.4 | Very high | 92.9 | Very high | 73 Ų | 73 | 50.1 Ų | 50.1 | 51% | 0.51 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 126 | 174.3 | -173.1 | 0 | 0 | 0 | 0 | 110 | ||
| 200 | V | 94.6 | Very high | 93 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | -20.9 | -175.3 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | L130 V191 C193 N198 F212 N213 | L130-V200 HydrophobicContact CD1-CB 3.99Å; L130-V200 HydrophobicContact CD1-CG1 3.72Å; L130-V200 HydrophobicContact CD1-CG2 4.43Å; L130-V200 HydrophobicContact CD2-CG1 4.38Å; V191-V200 HydrophobicContact CB-CG2 4.26Å; V191-V200 HydrophobicContact CG1-CG2 3.9Å; V191-V200 WeakPolarHBondContact O-CG2 3.43Å; V191-V200 PolarHBondContact O-N 2.81Å; C193-V200 HydrophobicContact CB-CG1 4.15Å; N198-V200 PolarHBondContact O-N 2.88Å; V200-F212 HydrophobicContact CB-CD1 4.15Å; V200-F212 HydrophobicContact CB-CE1 4.35Å; V200-F212 HydrophobicContact CG2-CD1 4.17Å; V200-F212 HydrophobicContact CG2-CE1 3.94Å; V200-N213 PolarHBondContact O-N 2.93Å |
| 201 | G | 93.6 | Very high | 93 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | -159.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V191 Y211 | V191-G201 PolarHBondContact N-O 2.85Å; V191-G201 PolarHBondContact O-N 3.18Å; G201-Y211 CarbonylContact C-O 3.51Å; G201-Y211 WeakPolarHBondContact CA-O 3.35Å |
| 202 | C | 93.6 | Very high | 93 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 142.3 | 178.9 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | R162 Y188 H189 Y211 | R162-C202 PolarHBondContact NH1-SG 2.81Å; Y188-C202 HydrophobicContact CD1-CB 4.46Å; H189-C202 CarbonylContact O-C 3.43Å; H189-C202 VanDerWaalsContact O-CA 3.26Å; H189-C202 WeakPolarHBondContact O-CA 3.4Å; C202-Y211 PolarHBondContact N-O 2.71Å; C202-Y211 PolarHBondContact O-N 2.9Å |
| 203 | K | 93.6 | Very high | 92.8 | Very high | 35 Ų | 35 | 52.3 Ų | 52.3 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.9 | 174.3 | -169.8 | -173.4 | 175.9 | -160.9 | 0 | 109.7 | L154 Y188 H189 V191 T207 N208 I210 | L154-K203 HydrophobicContact CD1-CD 3.58Å; L154-K203 HydrophobicContact CD2-CB 3.85Å; L154-K203 HydrophobicContact CD2-CD 3.97Å; L154-K203 HydrophobicContact CD2-CG 4.47Å; L154-K203 HydrophobicContact CG-CD 4.43Å; Y188-K203 CarbonylContact C-O 3.59Å; Y188-K203 WeakPolarHBondContact CA-O 3.35Å; H189-K203 PolarHBondContact N-O 3.03Å; H189-K203 PolarHBondContact O-N 3.25Å; V191-K203 HydrophobicContact CG2-CB 4.11Å; K203-T207 WeakPolarHBondContact CE-O 3.46Å; K203-N208 WeakPolarHBondContact CE-OD1 3.23Å; K203-N208 PolarHBondContact NZ-OD1 2.82Å; K203-I210 HydrophobicContact CB-CG1 3.95Å; K203-I210 HydrophobicContact CD-CG1 4.37Å; K203-I210 HydrophobicContact CG-CG1 3.91Å |
| 204 | E | 90.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 133.6 | 173.7 | 177.3 | 165 | -168 | 0 | 0 | 110.3 | K186 Y188 Q206 T207 V209 Y211 | K186-E204 VanDerWaalsContact CD-OE1 3.29Å; K186-E204 WeakPolarHBondContact CD-OE1 3.44Å; K186-E204 VanDerWaalsContact CE-OE1 3.28Å; K186-E204 WeakPolarHBondContact CE-OE1 3.37Å; K186-E204 IonicContact NZ-OE1 2.71Å; K186-E204 PolarHBondContact NZ-OE1 3.5Å; K186-E204 IonicContact NZ-OE2 3.62Å; Y188-E204 HydrophobicContact CD1-CB 3.85Å; Y188-E204 HydrophobicContact CE1-CB 3.69Å; Y188-E204 HydrophobicContact CE1-CG 4.13Å; E204-Q206 VanDerWaalsContact C-N 3.26Å; E204-Q206 PolarHBondContact O-N 3.41Å; E204-T207 WeakPolarHBondContact CB-OG1 3.04Å; E204-T207 HydrophobicContact CG-CG2 4.47Å; E204-T207 PolarHBondContact O-N 3.11Å; E204-V209 PolarHBondContact N-O 2.67Å; E204-Y211 HydrophobicContact CB-CE2 4.02Å; E204-Y211 PolarHBondContact OE2-OH 2.79Å |
| 205 | I | 86.8 | Confident | 92.3 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -37 | -173.4 | -63.1 | -173.4 | 0 | 0 | 0 | 112.3 | I159 E187 | I159-I205 HydrophobicContact CD1-CD1 4.4Å; I159-I205 HydrophobicContact CG1-CD1 4.42Å; I159-I205 HydrophobicContact CG2-CD1 4.36Å; E187-I205 HydrophobicContact CB-CD1 3.41Å; E187-I205 VanDerWaalsContact CB-CD1 3.41Å; E187-I205 HydrophobicContact CB-CG1 4.03Å; E187-I205 HydrophobicContact CG-CD1 4.49Å; E187-I205 WeakPolarHBondContact O-CG1 3.2Å; E187-I205 PolarHBondContact O-N 3Å; E187-I205 WeakPolarHBondContact OE2-CD1 3.37Å |
| 206 | Q | 85.5 | Confident | 92.2 | Very high | 177 Ų | 177 | 50.7 Ų | 50.7 | 83% | 0.827 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17.7 | -175.5 | -65.1 | -175.5 | -10.2 | 0 | 0 | 113.7 | E204 | E204-Q206 VanDerWaalsContact C-N 3.26Å; E204-Q206 PolarHBondContact O-N 3.41Å |
| 207 | T | 88.8 | Confident | 92.1 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 29% | 0.288 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -127.1 | 147 | -173.3 | 70.2 | 0 | 0 | 0 | 0 | 110.3 | K203 E204 V209 | K203-T207 WeakPolarHBondContact CE-O 3.46Å; E204-T207 WeakPolarHBondContact CB-OG1 3.04Å; E204-T207 HydrophobicContact CG-CG2 4.47Å; E204-T207 PolarHBondContact O-N 3.11Å; T207-V209 PolarHBondContact O-N 3.05Å |
| 208 | N | 87.2 | Confident | 92 | Very high | 124 Ų | 124 | 50.1 Ų | 50.1 | 66% | 0.663 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -77.6 | 18.3 | 172.8 | -75 | -46.1 | 0 | 0 | 0 | 113.7 | K203 | K203-N208 WeakPolarHBondContact CE-OD1 3.23Å; K203-N208 PolarHBondContact NZ-OD1 2.82Å |
| 209 | V | 92.6 | Very high | 91.7 | Very high | 18 Ų | 18 | 52.4 Ų | 52.4 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 129.5 | -179.2 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | Y145 T146 E147 E204 T207 Y211 | Y145-V209 HydrophobicContact CD2-CG1 3.71Å; Y145-V209 HydrophobicContact CG-CG1 4.09Å; T146-V209 WeakPolarHBondContact O-CA 3.44Å; E147-V209 HydrophobicContact CG-CG2 3.91Å; E204-V209 PolarHBondContact N-O 2.67Å; T207-V209 PolarHBondContact O-N 3.05Å; V209-Y211 HydrophobicContact CG1-CE1 4.41Å; V209-Y211 HydrophobicContact CG1-CE2 4.25Å |
| 210 | I | 94.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130.9 | 171.5 | -65.9 | 170.4 | 0 | 0 | 0 | 108.4 | Y145 T146 P149 L154 V191 K203 F212 | Y145-I210 CarbonylContact C-O 3.59Å; Y145-I210 WeakPolarHBondContact CA-O 3.27Å; Y145-I210 WeakPolarHBondContact CB-O 3.39Å; T146-I210 HydrophobicContact CG2-CB 4.36Å; T146-I210 PolarHBondContact N-O 2.82Å; T146-I210 PolarHBondContact O-N 2.7Å; P149-I210 HydrophobicContact CB-CD1 3.67Å; P149-I210 HydrophobicContact CG-CD1 3.58Å; L154-I210 HydrophobicContact CD2-CD1 4.08Å; L154-I210 HydrophobicContact CD2-CG1 4.46Å; V191-I210 HydrophobicContact CB-CG2 4.37Å; V191-I210 HydrophobicContact CG1-CD1 4.48Å; V191-I210 HydrophobicContact CG1-CG2 4.32Å; V191-I210 HydrophobicContact CG2-CD1 4.43Å; V191-I210 HydrophobicContact CG2-CG1 4.3Å; V191-I210 HydrophobicContact CG2-CG2 3.82Å; K203-I210 HydrophobicContact CB-CG1 3.95Å; K203-I210 HydrophobicContact CD-CG1 4.37Å; K203-I210 HydrophobicContact CG-CG1 3.91Å; I210-F212 HydrophobicContact CG2-CD1 4.29Å; I210-F212 HydrophobicContact CG2-CE1 3.86Å; I210-F212 HydrophobicContact CG2-CE2 4.17Å; I210-F212 HydrophobicContact CG2-CZ 3.8Å |
| 211 | Y | 94.2 | Very high | 90.3 | Very high | 60 Ų | 60 | 60.9 Ų | 60.9 | 24% | 0.235 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.1 | 173.6 | -59.4 | -89.8 | 0 | 0 | 0 | 109.5 | Y188 G201 C202 E204 V209 | Y188-Y211 HydrophobicContact CE1-CD2 4.42Å; Y188-Y211 HydrophobicContact CE1-CE2 4.34Å; G201-Y211 CarbonylContact C-O 3.51Å; G201-Y211 WeakPolarHBondContact CA-O 3.35Å; C202-Y211 PolarHBondContact N-O 2.71Å; C202-Y211 PolarHBondContact O-N 2.9Å; E204-Y211 HydrophobicContact CB-CE2 4.02Å; E204-Y211 PolarHBondContact OE2-OH 2.79Å; V209-Y211 HydrophobicContact CG1-CE1 4.41Å; V209-Y211 HydrophobicContact CG1-CE2 4.25Å |
| 212 | F | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131 | 175.8 | -62.9 | -71.8 | 0 | 0 | 0 | 110.4 | L121 L130 Q143 Y144 T146 V200 I210 V215 | L121-F212 HydrophobicContact CD1-CB 4.43Å; L121-F212 HydrophobicContact CD1-CD2 3.3Å; L121-F212 HydrophobicContact CD1-CE2 3.64Å; L121-F212 HydrophobicContact CD1-CG 4.05Å; L130-F212 HydrophobicContact CB-CE1 4.39Å; L130-F212 HydrophobicContact CB-CZ 4.32Å; L130-F212 HydrophobicContact CD1-CD1 4.48Å; L130-F212 HydrophobicContact CD1-CE1 4.25Å; Q143-F212 WeakPolarHBondContact CA-O 3.48Å; Y144-F212 PolarHBondContact N-O 2.94Å; Y144-F212 VanDerWaalsContact N-O 3.15Å; Y144-F212 PolarHBondContact O-N 3.13Å; T146-F212 HydrophobicContact CG2-CD2 4.39Å; T146-F212 HydrophobicContact CG2-CE2 3.36Å; T146-F212 HydrophobicContact CG2-CZ 3.93Å; V200-F212 HydrophobicContact CB-CD1 4.15Å; V200-F212 HydrophobicContact CB-CE1 4.35Å; V200-F212 HydrophobicContact CG2-CD1 4.17Å; V200-F212 HydrophobicContact CG2-CE1 3.94Å; I210-F212 HydrophobicContact CG2-CD1 4.29Å; I210-F212 HydrophobicContact CG2-CE1 3.86Å; I210-F212 HydrophobicContact CG2-CE2 4.17Å; I210-F212 HydrophobicContact CG2-CZ 3.8Å; F212-V215 HydrophobicContact CB-CB 4.46Å; F212-V215 HydrophobicContact CB-CG1 3.68Å; F212-V215 HydrophobicContact CB-CG2 3.91Å; F212-V215 HydrophobicContact CD1-CG1 3.82Å; F212-V215 HydrophobicContact CG-CG1 3.92Å |
| 213 | N | 91.2 | Very high | 89.9 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 35% | 0.353 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -114.9 | -25.5 | -179.5 | -68.6 | 40 | 0 | 0 | 0 | 112.3 | V200 | V200-N213 PolarHBondContact O-N 2.93Š|
| 214 | D | 88.2 | Confident | 89.7 | Confident | 96 Ų | 96 | 68.8 Ų | 68.8 | 51% | 0.513 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -132.8 | 86 | -176.6 | -172.3 | 17.7 | 0 | 0 | 0 | 109.7 | P124 | P124-D214 WeakPolarHBondContact CD-O 3.45Š|
| 215 | V | 92.8 | Very high | 89.7 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | trans | -144 | 150.4 | -175.3 | -70 | 0 | 0 | 0 | 0 | 111.3 | L121 L130 Y144 F212 | L121-V215 HydrophobicContact CD2-CG2 4.05Å; L130-V215 HydrophobicContact CD1-CG1 3.64Å; Y144-V215 HydrophobicContact CD2-CG2 4.08Å; F212-V215 HydrophobicContact CB-CB 4.46Å; F212-V215 HydrophobicContact CB-CG1 3.68Å; F212-V215 HydrophobicContact CB-CG2 3.91Å; F212-V215 HydrophobicContact CD1-CG1 3.82Å; F212-V215 HydrophobicContact CG-CG1 3.92Å | ||
| 216 | L | 94.8 | Very high | 89.9 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 40% | 0.403 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 112.8 | 171.1 | -61.6 | 176.4 | 0 | 0 | 0 | 108.5 | N122 P124 M127 | N122-L216 HydrophobicContact CB-CB 4.15Å; N122-L216 PolarHBondContact N-O 2.89Å; N122-L216 PolarHBondContact O-N 3.2Å; P124-L216 HydrophobicContact CB-CG 4.37Å; M127-L216 HydrophobicContact CG-CD1 4.43Å |
| 217 | A | 94.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 65.1 Ų | 65.1 | 31% | 0.314 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A119 L121 Y144 | A119-A217 HydrophobicContact CB-CB 4.02Å; L121-A217 HydrophobicContact CD2-CB 4.22Å; Y144-A217 HydrophobicContact CE2-CB 3.78Å |
| 218 | S | 91.9 | Very high | 90.3 | Very high | 55 Ų | 55 | 66.5 Ų | 66.5 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122 | 172 | -52.9 | 0 | 0 | 0 | 0 | 108.9 | A119 I120 N122 | A119-S218 WeakPolarHBondContact CA-O 3.38Å; I120-S218 PolarHBondContact N-O 2.99Å; I120-S218 PolarHBondContact O-N 2.94Å; N122-S218 PolarHBondContact ND2-OG 3.24Å |
| 219 | H | 87.8 | Confident | 90.6 | Very high | 110 Ų | 110 | 61.7 Ų | 61.7 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | trans | -106.9 | 135.4 | 177.1 | -60.7 | -82.1 | 0 | 0 | 0 | 108.9 | D118 Y144 | D118-H219 PolarHBondContact O-CE1 3.22Å; D118-H219 PolarHBondContact O-ND1 3.13Å; Y144-H219 PolarHBondContact OH-CE1 3.49Å; Y144-H219 PolarHBondContact OH-NE2 2.98Å | ||
| 220 | S | 70.1 | Confident | 90.4 | Very high | 194 Ų | 194 | 65.6 Ų | 65.6 | 100% | 1.357 | 38% | 0.384 | S | S | * | . | trans | -97.7 | 0 | 173.6 | 63.8 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 220 of 220 residues in 170.3 ms
(Link to these results)