| 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 | 34.4 | Very low | 38.9 | Very low | 241 Ų | 241 | 155.1 Ų | 155.1 | 100% | 1.187 | 72% | 0.719 | S | S | * | * | 0 | 115.7 | 0 | -66.1 | -176.1 | 80.2 | 0 | 0 | 108.7 | |||||
| 2 | L | 33.3 | Very low | 39.4 | Very low | 159 Ų | 159 | 148 Ų | 148 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | trans | -77.1 | 135.1 | -177.6 | -72.3 | 165.3 | 0 | 0 | 0 | 111 | W4 | L2-W4 PolarHBondContact O-N 3.32Š| ||
| 3 | P | 37.1 | Very low | 39.4 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | trans | -75.2 | 112.1 | -177.8 | 29 | -31 | 0 | 0 | 0 | 110 | R5 | P3-R5 PolarHBondContact O-N 3.49Å; P3-R5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | W | 36.1 | Very low | 39.6 | Very low | 237 Ų | 237 | 150 Ų | 150 | 90% | 0.898 | 71% | 0.711 | S | S | * | * | trans | -64.3 | 110.6 | 175.3 | -81.8 | 64.1 | 0 | 0 | 0 | 110.6 | L2 R6 | L2-W4 PolarHBondContact O-N 3.32Å; W4-R6 PolarHBondContact O-N 2.68Å | ||
| 5 | R | 41.3 | Very low | 39.5 | Very low | 174 Ų | 174 | 149.4 Ų | 149.4 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | trans | -63.4 | 104.8 | 165.7 | -91 | -169.5 | 179.3 | -109.3 | -1 | 109.5 | P3 | P3-R5 PolarHBondContact O-N 3.49Å; P3-R5 VanDerWaalsContact O-N 3.15Å | ||
| 6 | R | 43.4 | Very low | 39.6 | Very low | 213 Ų | 213 | 145.6 Ų | 145.6 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | -89.8 | 107.4 | 167.6 | -79.2 | -176.7 | 172.9 | 174.5 | -1.4 | 109.4 | W4 K8 | W4-R6 PolarHBondContact O-N 2.68Å; R6-K8 PolarHBondContact O-N 3.08Å | ||
| 7 | N | 42.5 | Very low | 40 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 56% | 0.556 | 73% | 0.727 | S | S | * | * | trans | -73 | 114.3 | 165.8 | -80.3 | -13.7 | 0 | 0 | 0 | 108.8 | F9 | N7-F9 HydrophobicContact CB-CE2 4.09Å; N7-F9 HydrophobicContact CB-CZ 4.2Å | ||
| 8 | K | 37.8 | Very low | 39.7 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | trans | -89.4 | 103.1 | 176.7 | -145.8 | 176.5 | -172.1 | -179.7 | 0 | 107.9 | R6 | R6-K8 PolarHBondContact O-N 3.08Š| ||
| 9 | F | 40.6 | Very low | 39.5 | Very low | 125 Ų | 125 | 150.5 Ų | 150.5 | 55% | 0.548 | 74% | 0.736 | S | S | . | * | trans | -79 | 135.1 | 172.9 | -60.7 | -82.9 | 0 | 0 | 0 | 108.9 | N7 V63 | N7-F9 HydrophobicContact CB-CE2 4.09Å; N7-F9 HydrophobicContact CB-CZ 4.2Å; F9-V63 HydrophobicContact CD1-CB 4.41Å; F9-V63 HydrophobicContact CD1-CG2 4.25Å; F9-V63 HydrophobicContact CE1-CG2 4.27Å | ||
| 10 | V | 42.4 | Very low | 39.3 | Very low | 79 Ų | 79 | 149.6 Ų | 149.6 | 48% | 0.479 | 74% | 0.742 | S | S | . | * | trans | -110.6 | 117.8 | 173.7 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 11 | L | 38.8 | Very low | 39.2 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 62% | 0.623 | 75% | 0.749 | S | S | * | * | trans | -72.8 | 136.2 | 173.1 | -156.2 | 85.8 | 0 | 0 | 0 | 108.1 | L65 | L11-L65 HydrophobicContact CD1-CD1 3.96Š| ||
| 12 | V | 45 | Very low | 39.3 | Very low | 70 Ų | 70 | 146.4 Ų | 146.4 | 42% | 0.424 | 73% | 0.733 | S | S | . | * | trans | -84.9 | 114.1 | 173.9 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | K62 | V12-K62 HydrophobicContact CG2-CD 4.34Å; V12-K62 HydrophobicContact CG2-CG 4.17Å | ||
| 13 | E | 39.1 | Very low | 39.7 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | -91.5 | 144.5 | 156.2 | -79.2 | -179.7 | 151.9 | 0 | 0 | 108.1 | D15 | E13-D15 PolarHBondContact O-N 3.37Š| ||
| 14 | D | 42.2 | Very low | 39.6 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | trans | -68.6 | 97.3 | 176.9 | -83.7 | -37.9 | 0 | 0 | 0 | 109.5 | A16 | D14-A16 PolarHBondContact O-N 3.36Š| ||
| 15 | D | 39.1 | Very low | 40.2 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -78.6 | 108.7 | -178.1 | -83 | -36.7 | 0 | 0 | 0 | 112 | E13 | E13-D15 PolarHBondContact O-N 3.37Š| ||
| 16 | A | 40.3 | Very low | 40.3 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | -68.9 | 121.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | D14 T18 | D14-A16 PolarHBondContact O-N 3.36Å; A16-T18 PolarHBondContact O-N 3.24Å | ||
| 17 | K | 45.8 | Very low | 40.5 | Very low | 209 Ų | 209 | 134.5 Ų | 134.5 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | -0.5 | 105.5 | 168.8 | -72.2 | 178.2 | 175.9 | 174.8 | 0 | 116.4 | ||||
| 18 | T | 35.7 | Very low | 41.2 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | -141.3 | 146.4 | 151.4 | 54.8 | 0 | 0 | 0 | 0 | 113 | A16 | A16-T18 PolarHBondContact O-N 3.24Š| ||
| 19 | K | 35.3 | Very low | 41.8 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 159.5 | -171.9 | -68.9 | -177.5 | 178.5 | -178.8 | 0 | 113.7 | K21 | K19-K21 PolarHBondContact O-N 3.26Š|
| 20 | P | 35.2 | Very low | 42.5 | Very low | 132 Ų | 132 | 133 Ų | 133 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 124.6 | 179.7 | 28.6 | -34 | 0 | 0 | 0 | 111.6 | ||
| 21 | K | 37.4 | Very low | 43.3 | Very low | 204 Ų | 204 | 131.6 Ų | 131.6 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 125.8 | 166.8 | -67.8 | -176.1 | 179.9 | 177.1 | 0 | 109.3 | K19 | K19-K21 PolarHBondContact O-N 3.26Š|
| 22 | S | 36.2 | Very low | 44.3 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 135.3 | 174.8 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 23 | L | 43.3 | Very low | 44.9 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 94% | 0.937 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 122.7 | 175.4 | -77.4 | 161.3 | 0 | 0 | 0 | 110.3 | ||
| 24 | G | 34.5 | Very low | 46 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 145.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 25 | T | 47.3 | Very low | 46.8 | Very low | 158 Ų | 158 | 122.1 Ų | 122.1 | 97% | 0.969 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 123 | 175.9 | -18.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 26 | G | 44.1 | Very low | 47.7 | Very low | 68 Ų | 68 | 121.1 Ų | 121.1 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | trans | -164.5 | 102.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 27 | L | 48.6 | Very low | 48.7 | Very low | 155 Ų | 155 | 122.1 Ų | 122.1 | 81% | 0.812 | 69% | 0.688 | S | S | * | * | trans | 58 | 98.2 | 169.1 | -66.6 | 162.5 | 0 | 0 | 0 | 116.2 | ||||
| 28 | T | 55.8 | Low | 49.4 | Very low | 104 Ų | 104 | 123 Ų | 123 | 64% | 0.638 | 69% | 0.686 | S | S | * | * | trans | -72.2 | 131.9 | 173.3 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | H30 S31 | T28-H30 PolarHBondContact O-N 3.24Å; T28-S31 PolarHBondContact O-N 3.37Å; T28-S31 PolarHBondContact O-OG 3.16Å; T28-S31 VanDerWaalsContact O-OG 3.1Å | ||
| 29 | Y | 52 | Low | 50.3 | Low | 100 Ų | 100 | 120.8 Ų | 120.8 | 39% | 0.392 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -45 | -28.5 | 177.4 | 179.2 | -115 | 0 | 0 | 0 | 114.8 | S31 L33 V52 F56 | Y29-S31 PolarHBondContact O-N 3.2Å; Y29-L33 HydrophobicContact CD1-CD1 3.74Å; Y29-L33 HydrophobicContact CD1-CG 4.48Å; Y29-L33 HydrophobicContact CE1-CD1 3.19Å; Y29-L33 HydrophobicContact CE1-CG 4.11Å; Y29-L33 HydrophobicContact CE2-CD1 4.19Å; Y29-L33 HydrophobicContact CE2-CD2 4.46Å; Y29-L33 HydrophobicContact CE2-CG 4.26Å; Y29-L33 HydrophobicContact CG-CD1 4.43Å; Y29-L33 VanDerWaalsContact CZ-CD1 3.44Å; Y29-L33 PolarHBondContact O-N 2.91Å; Y29-V52 WeakPolarHBondContact OH-CG1 2.94Å; Y29-F56 HydrophobicContact CE2-CD2 4.37Å; Y29-F56 AromaticContact CE2-CE2 3.79Å; Y29-F56 HydrophobicContact CE2-CE2 3.79Å; Y29-F56 HydrophobicContact CE2-CZ 4.06Å; Y29-F56 AromaticContact CZ-CE2 3.93Å |
| 30 | H | 54.8 | Low | 51.2 | Low | 148 Ų | 148 | 114.9 Ų | 114.9 | 69% | 0.685 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.4 | -35.1 | 178.3 | -77.3 | -81.5 | 0 | 0 | 0 | 114.7 | T28 S34 | T28-H30 PolarHBondContact O-N 3.24Å; H30-S34 WeakPolarHBondContact O-CB 3.29Å; H30-S34 PolarHBondContact O-N 2.75Å; H30-S34 PolarHBondContact O-OG 3.4Å |
| 31 | S | 59.5 | Low | 52.2 | Low | 50 Ų | 50 | 113.3 Ų | 113.3 | 35% | 0.35 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -71.2 | -39.3 | -176.2 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | T28 Y29 S34 S35 | T28-S31 PolarHBondContact O-N 3.37Å; T28-S31 PolarHBondContact O-OG 3.16Å; T28-S31 VanDerWaalsContact O-OG 3.1Å; Y29-S31 PolarHBondContact O-N 3.2Å; S31-S34 WeakPolarHBondContact CA-OG 2.84Å; S31-S34 PolarHBondContact O-N 3.19Å; S31-S34 PolarHBondContact O-OG 2.92Å; S31-S35 PolarHBondContact O-N 3.2Å |
| 32 | I | 59.3 | Low | 53 | Low | 110 Ų | 110 | 111 Ų | 111 | 56% | 0.564 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.2 | -40.9 | 179.2 | -55.7 | 174.9 | 0 | 0 | 0 | 110.4 | S35 L36 | I32-S35 PolarHBondContact O-N 3.25Å; I32-L36 PolarHBondContact O-N 3.06Å |
| 33 | L | 57.2 | Low | 53.9 | Low | 60 Ų | 60 | 111.8 Ų | 111.8 | 31% | 0.314 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.8 | -39.5 | 176.4 | -70.2 | -176.2 | 0 | 0 | 0 | 112.6 | Y29 S35 L36 L37 | Y29-L33 HydrophobicContact CD1-CD1 3.74Å; Y29-L33 HydrophobicContact CD1-CG 4.48Å; Y29-L33 HydrophobicContact CE1-CD1 3.19Å; Y29-L33 HydrophobicContact CE1-CG 4.11Å; Y29-L33 HydrophobicContact CE2-CD1 4.19Å; Y29-L33 HydrophobicContact CE2-CD2 4.46Å; Y29-L33 HydrophobicContact CE2-CG 4.26Å; Y29-L33 HydrophobicContact CG-CD1 4.43Å; Y29-L33 VanDerWaalsContact CZ-CD1 3.44Å; Y29-L33 PolarHBondContact O-N 2.91Å; L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 2.79Å; L33-L36 PolarHBondContact O-N 3.49Å; L33-L37 WeakPolarHBondContact O-CB 3.48Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.27Å |
| 34 | S | 62.3 | Low | 54.2 | Low | 71 Ų | 71 | 109.4 Ų | 109.4 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.6 | -34.1 | 178.3 | 65.8 | 0 | 0 | 0 | 0 | 113 | H30 S31 R38 | H30-S34 WeakPolarHBondContact O-CB 3.29Å; H30-S34 PolarHBondContact O-N 2.75Å; H30-S34 PolarHBondContact O-OG 3.4Å; S31-S34 WeakPolarHBondContact CA-OG 2.84Å; S31-S34 PolarHBondContact O-N 3.19Å; S31-S34 PolarHBondContact O-OG 2.92Å; S34-R38 WeakPolarHBondContact O-CB 3.44Å; S34-R38 PolarHBondContact O-N 2.98Å |
| 35 | S | 59.3 | Low | 55.2 | Low | 73 Ų | 73 | 110.1 Ų | 110.1 | 51% | 0.51 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69.6 | -38.8 | 174.7 | 166.8 | 0 | 0 | 0 | 0 | 112 | S31 I32 L33 S39 | S31-S35 PolarHBondContact O-N 3.2Å; I32-S35 PolarHBondContact O-N 3.25Å; L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 2.79Å; S35-S39 PolarHBondContact O-N 3.38Å; S35-S39 PolarHBondContact O-OG 2.92Å |
| 36 | L | 58.6 | Low | 55.2 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 62% | 0.623 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.3 | -44.5 | 179.4 | -136 | 96.5 | 0 | 0 | 0 | 111.8 | I32 L33 R38 S39 C40 | I32-L36 PolarHBondContact O-N 3.06Å; L33-L36 PolarHBondContact O-N 3.49Å; L36-R38 VanDerWaalsContact C-N 3.25Å; L36-R38 PolarHBondContact O-N 3.1Å; L36-S39 PolarHBondContact O-N 3.35Å; L36-S39 VanDerWaalsContact O-N 3.08Å; L36-C40 PolarHBondContact O-N 3.43Å |
| 37 | L | 59.6 | Low | 55.6 | Low | 111 Ų | 111 | 110.4 Ų | 110.4 | 58% | 0.581 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64 | -31 | 178.1 | -71.1 | 168.9 | 0 | 0 | 0 | 112.3 | L33 S39 | L33-L37 WeakPolarHBondContact O-CB 3.48Å; L33-L37 VanDerWaalsContact O-CG 3.29Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.27Å; L37-S39 VanDerWaalsContact C-N 3.31Å |
| 38 | R | 60.7 | Low | 55.8 | Low | 228 Ų | 228 | 107.5 Ų | 107.5 | 86% | 0.86 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73 | -23.9 | 175 | -163 | 173.7 | -146.1 | 152.2 | 6.3 | 113.3 | S34 L36 | S34-R38 WeakPolarHBondContact O-CB 3.44Å; S34-R38 PolarHBondContact O-N 2.98Å; L36-R38 VanDerWaalsContact C-N 3.25Å; L36-R38 PolarHBondContact O-N 3.1Å |
| 39 | S | 54.6 | Low | 55.6 | Low | 86 Ų | 86 | 111.2 Ų | 111.2 | 60% | 0.601 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -94.8 | -19.6 | -173.7 | -53.4 | 0 | 0 | 0 | 0 | 113.2 | S35 L36 L37 | S35-S39 PolarHBondContact O-N 3.38Å; S35-S39 PolarHBondContact O-OG 2.92Å; L36-S39 PolarHBondContact O-N 3.35Å; L36-S39 VanDerWaalsContact O-N 3.08Å; L37-S39 VanDerWaalsContact C-N 3.31Å |
| 40 | C | 55.2 | Low | 55.6 | Low | 63 Ų | 63 | 112.9 Ų | 112.9 | 43% | 0.426 | 62% | 0.615 | S | S | . | * | trans | -143.4 | 83.4 | -177.8 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | L36 D42 L43 | L36-C40 PolarHBondContact O-N 3.43Å; C40-D42 VanDerWaalsContact C-N 3.33Å; C40-D42 PolarHBondContact O-N 3.32Å; C40-L43 HydrophobicContact CB-CD1 3.98Å | ||
| 41 | P | 56.5 | Low | 55.4 | Low | 99 Ų | 99 | 114.1 Ų | 114.1 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -22.1 | -178.6 | 27.7 | -32.8 | 0 | 0 | 0 | 113.9 | ||
| 42 | D | 54.7 | Low | 55.1 | Low | 155 Ų | 155 | 114 Ų | 114 | 83% | 0.829 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 2.5 | -171.1 | -53.6 | -40 | 0 | 0 | 0 | 114.5 | C40 | C40-D42 VanDerWaalsContact C-N 3.33Å; C40-D42 PolarHBondContact O-N 3.32Å |
| 43 | L | 54.7 | Low | 54.8 | Low | 137 Ų | 137 | 110.7 Ų | 110.7 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | trans | -103.2 | 30.8 | -177 | -74.6 | 174.3 | 0 | 0 | 0 | 112.7 | C40 P45 | C40-L43 HydrophobicContact CB-CD1 3.98Å; L43-P45 VanDerWaalsContact C-CD 3.46Å; L43-P45 WeakPolarHBondContact O-CD 3.39Å | ||
| 44 | L | 50 | Low | 54.6 | Low | 129 Ų | 129 | 111.2 Ų | 111.2 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | trans | -92.5 | 92.6 | 176.4 | -155.1 | 82.9 | 0 | 0 | 0 | 110.3 | ||||
| 45 | P | 53.6 | Low | 54.2 | Low | 88 Ų | 88 | 110.2 Ų | 110.2 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | trans | -71.6 | 141.8 | 157.5 | 31.1 | -31.2 | 0 | 0 | 0 | 107.9 | L43 C47 | L43-P45 VanDerWaalsContact C-CD 3.46Å; L43-P45 WeakPolarHBondContact O-CD 3.39Å; P45-C47 PolarHBondContact O-N 3.26Å | ||
| 46 | D | 48.8 | Very low | 53.8 | Low | 164 Ų | 164 | 112.7 Ų | 112.7 | 88% | 0.877 | 60% | 0.603 | S | S | * | * | trans | -63 | 64.7 | 171.9 | -65.6 | -53.4 | 0 | 0 | 0 | 111.2 | ||||
| 47 | C | 52.3 | Low | 53.3 | Low | 68 Ų | 68 | 113.8 Ų | 113.8 | 46% | 0.459 | 61% | 0.605 | S | S | . | * | trans | -99.2 | 116.4 | 179 | -69.5 | 0 | 0 | 0 | 0 | 108.2 | P45 F49 | P45-C47 PolarHBondContact O-N 3.26Å; C47-F49 PolarHBondContact O-N 3.5Å | ||
| 48 | P | 52.5 | Low | 53.1 | Low | 95 Ų | 95 | 111.6 Ų | 111.6 | 62% | 0.617 | 60% | 0.596 | S | S | * | * | trans | -55.8 | 131.2 | 177.7 | -22.7 | 31.7 | 0 | 0 | 0 | 111.2 | D50 W51 | P48-D50 PolarHBondContact O-N 3.08Å; P48-W51 PolarHBondContact O-N 3.42Å; P48-W51 VanDerWaalsContact O-N 3.16Å | ||
| 49 | F | 51.2 | Low | 52.7 | Low | 181 Ų | 181 | 110.3 Ų | 110.3 | 79% | 0.794 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -15.5 | -176.9 | -81.9 | -91.1 | 0 | 0 | 0 | 114.7 | C47 W51 V52 | C47-F49 PolarHBondContact O-N 3.5Å; F49-W51 PolarHBondContact O-N 3.15Å; F49-V52 PolarHBondContact O-N 3.38Å |
| 50 | D | 52.8 | Low | 52.6 | Low | 135 Ų | 135 | 115.1 Ų | 115.1 | 72% | 0.722 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.2 | -27.4 | 176.4 | -61.3 | -34.1 | 0 | 0 | 0 | 113.5 | P48 S54 | P48-D50 PolarHBondContact O-N 3.08Å; D50-S54 PolarHBondContact O-OG 2.94Å |
| 51 | W | 50 | Low | 52.7 | Low | 174 Ų | 174 | 118.5 Ų | 118.5 | 66% | 0.659 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.1 | -36.5 | 178.7 | -174.4 | 54.4 | 0 | 0 | 0 | 112.3 | P48 F49 S54 I55 | P48-W51 PolarHBondContact O-N 3.42Å; P48-W51 VanDerWaalsContact O-N 3.16Å; F49-W51 PolarHBondContact O-N 3.15Å; W51-S54 PolarHBondContact O-N 3.2Å; W51-I55 HydrophobicContact CD2-CD1 4.29Å; W51-I55 HydrophobicContact CE3-CD1 4.47Å; W51-I55 HydrophobicContact CZ2-CD1 4.42Å; W51-I55 WeakPolarHBondContact O-CG1 3.42Å; W51-I55 PolarHBondContact O-N 3.22Å |
| 52 | V | 52.8 | Low | 52.6 | Low | 48 Ų | 48 | 121 Ų | 121 | 29% | 0.291 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.7 | -35.9 | -176.2 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | Y29 F49 S54 I55 F56 | Y29-V52 WeakPolarHBondContact OH-CG1 2.94Å; F49-V52 PolarHBondContact O-N 3.38Å; V52-S54 VanDerWaalsContact C-N 3.25Å; V52-S54 PolarHBondContact O-N 3.4Å; V52-I55 PolarHBondContact O-N 3.3Å; V52-F56 HydrophobicContact CG1-CE2 4.31Å; V52-F56 WeakPolarHBondContact O-CD2 3.46Å |
| 53 | G | 52.5 | Low | 52.9 | Low | 40 Ų | 40 | 115.9 Ų | 115.9 | 41% | 0.412 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.9 | -36 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I55 H57 | G53-I55 VanDerWaalsContact C-N 3.35Å; G53-I55 PolarHBondContact O-N 3.16Å; G53-H57 PolarHBondContact O-CD2 3.46Å |
| 54 | S | 53.6 | Low | 53.3 | Low | 71 Ų | 71 | 114.7 Ų | 114.7 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74 | -18.2 | -179.9 | -66.8 | 0 | 0 | 0 | 0 | 114.8 | D50 W51 V52 | D50-S54 PolarHBondContact O-OG 2.94Å; W51-S54 PolarHBondContact O-N 3.2Å; V52-S54 VanDerWaalsContact C-N 3.25Å; V52-S54 PolarHBondContact O-N 3.4Å |
| 55 | I | 54.2 | Low | 53.9 | Low | 50 Ų | 50 | 113.5 Ų | 113.5 | 26% | 0.256 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74.1 | -27.9 | 179.3 | -65.7 | 169.5 | 0 | 0 | 0 | 111.5 | W51 V52 G53 | W51-I55 HydrophobicContact CD2-CD1 4.29Å; W51-I55 HydrophobicContact CE3-CD1 4.47Å; W51-I55 HydrophobicContact CZ2-CD1 4.42Å; W51-I55 WeakPolarHBondContact O-CG1 3.42Å; W51-I55 PolarHBondContact O-N 3.22Å; V52-I55 PolarHBondContact O-N 3.3Å; G53-I55 VanDerWaalsContact C-N 3.35Å; G53-I55 PolarHBondContact O-N 3.16Å |
| 56 | F | 50.7 | Low | 54.3 | Low | 126 Ų | 126 | 116.6 Ų | 116.6 | 55% | 0.553 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -104.9 | -3.3 | -176.2 | -60 | -76.5 | 0 | 0 | 0 | 114.8 | Y29 V52 T58 | Y29-F56 HydrophobicContact CE2-CD2 4.37Å; Y29-F56 AromaticContact CE2-CE2 3.79Å; Y29-F56 HydrophobicContact CE2-CE2 3.79Å; Y29-F56 HydrophobicContact CE2-CZ 4.06Å; Y29-F56 AromaticContact CZ-CE2 3.93Å; V52-F56 HydrophobicContact CG1-CE2 4.31Å; V52-F56 WeakPolarHBondContact O-CD2 3.46Å; F56-T58 PolarHBondContact O-N 3.28Å |
| 57 | H | 48 | Very low | 55.2 | Low | 142 Ų | 142 | 116.1 Ų | 116.1 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | trans | -71.4 | 68.7 | 162.7 | -67.7 | -54.4 | 0 | 0 | 0 | 109.9 | G53 K59 | G53-H57 PolarHBondContact O-CD2 3.46Å; H57-K59 PolarHBondContact O-N 2.88Å | ||
| 58 | T | 54.8 | Low | 56.3 | Low | 64 Ų | 64 | 121 Ų | 121 | 39% | 0.393 | 59% | 0.589 | S | S | . | * | trans | -65.1 | 93.1 | 161.2 | 49.9 | 0 | 0 | 0 | 0 | 106.7 | F56 R60 | F56-T58 PolarHBondContact O-N 3.28Å; T58-R60 VanDerWaalsContact C-N 3.32Å; T58-R60 PolarHBondContact O-N 2.94Å | ||
| 59 | K | 52.5 | Low | 57.7 | Low | 201 Ų | 201 | 119 Ų | 119 | 87% | 0.874 | 57% | 0.571 | S | S | * | * | trans | -59 | 101 | 171.8 | -146.5 | 176.1 | -171.9 | 178 | 0 | 105.8 | H57 Q61 | H57-K59 PolarHBondContact O-N 2.88Å; K59-Q61 VanDerWaalsContact C-N 3.34Å; K59-Q61 PolarHBondContact O-N 2.76Å | ||
| 60 | R | 53.2 | Low | 59.5 | Low | 187 Ų | 187 | 112.8 Ų | 112.8 | 71% | 0.706 | 55% | 0.549 | S | S | * | . | trans | -60.5 | 100.5 | 179.1 | -73.3 | -175 | -177.9 | -178.4 | 2.7 | 106.8 | T58 K62 | T58-R60 VanDerWaalsContact C-N 3.32Å; T58-R60 PolarHBondContact O-N 2.94Å; R60-K62 PolarHBondContact O-N 2.83Å | ||
| 61 | Q | 56.8 | Low | 61.3 | Low | 135 Ų | 135 | 109.2 Ų | 109.2 | 63% | 0.631 | 53% | 0.531 | S | S | * | . | trans | -81.8 | 108.8 | 178.5 | -161.7 | 172.1 | 2.5 | 0 | 0 | 106.8 | K59 V63 | K59-Q61 VanDerWaalsContact C-N 3.34Å; K59-Q61 PolarHBondContact O-N 2.76Å; Q61-V63 HydrophobicContact CB-CG2 4.16Å; Q61-V63 HydrophobicContact CG-CG2 3.82Å; Q61-V63 PolarHBondContact O-N 3.07Å; Q61-V63 VanDerWaalsContact O-N 3.16Å | ||
| 62 | K | 55.5 | Low | 63.4 | Low | 151 Ų | 151 | 103 Ų | 103 | 66% | 0.657 | 51% | 0.508 | S | S | * | . | trans | -65.8 | 110.2 | 167.6 | -169.5 | 178.1 | -178.1 | -177.6 | 0 | 106.4 | V12 R60 | V12-K62 HydrophobicContact CG2-CD 4.34Å; V12-K62 HydrophobicContact CG2-CG 4.17Å; R60-K62 PolarHBondContact O-N 2.83Å | ||
| 63 | V | 60.2 | Low | 65.4 | Low | 47 Ų | 47 | 106.9 Ų | 106.9 | 29% | 0.285 | 53% | 0.527 | S | S | . | . | trans | -118.6 | 112.7 | 179.3 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | F9 Q61 L65 | F9-V63 HydrophobicContact CD1-CB 4.41Å; F9-V63 HydrophobicContact CD1-CG2 4.25Å; F9-V63 HydrophobicContact CE1-CG2 4.27Å; Q61-V63 HydrophobicContact CB-CG2 4.16Å; Q61-V63 HydrophobicContact CG-CG2 3.82Å; Q61-V63 PolarHBondContact O-N 3.07Å; Q61-V63 VanDerWaalsContact O-N 3.16Å; V63-L65 HydrophobicContact CG1-CD2 3.94Å; V63-L65 HydrophobicContact CG1-CG 4.43Å; V63-L65 PolarHBondContact O-N 3.29Å | ||
| 64 | E | 63.2 | Low | 67.4 | Low | 112 Ų | 112 | 105.3 Ų | 105.3 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | trans | -72.4 | 104.4 | 168.9 | -71.6 | 167.7 | -171.3 | 0 | 0 | 107.8 | N66 K67 | E64-N66 VanDerWaalsContact C-N 3.28Å; E64-N66 PolarHBondContact O-N 3.08Å; E64-K67 HydrophobicContact CB-CG 4.2Å; E64-K67 WeakPolarHBondContact OE2-CE 3.47Å; E64-K67 IonicContact OE2-NZ 3.21Å | ||
| 65 | L | 61.8 | Low | 69.4 | Low | 104 Ų | 104 | 107.2 Ų | 107.2 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -13.8 | -170.8 | -73.7 | 171.7 | 0 | 0 | 0 | 113.9 | L11 V63 | L11-L65 HydrophobicContact CD1-CD1 3.96Å; V63-L65 HydrophobicContact CG1-CD2 3.94Å; V63-L65 HydrophobicContact CG1-CG 4.43Å; V63-L65 PolarHBondContact O-N 3.29Å |
| 66 | N | 62.7 | Low | 71.5 | Confident | 153 Ų | 153 | 106.5 Ų | 106.5 | 82% | 0.818 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.4 | 59.1 | -176 | -66.9 | -35.5 | 0 | 0 | 0 | 111.8 | E64 E68 | E64-N66 VanDerWaalsContact C-N 3.28Å; E64-N66 PolarHBondContact O-N 3.08Å; N66-E68 PolarHBondContact O-N 2.91Å |
| 67 | K | 67.4 | Low | 73.6 | Confident | 154 Ų | 154 | 101.2 Ų | 101.2 | 67% | 0.67 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 119 | 166.2 | -71.8 | -174.2 | 174.1 | -175.2 | 0 | 108.4 | E64 E69 | E64-K67 HydrophobicContact CB-CG 4.2Å; E64-K67 WeakPolarHBondContact OE2-CE 3.47Å; E64-K67 IonicContact OE2-NZ 3.21Å; K67-E69 PolarHBondContact O-N 3.34Å |
| 68 | E | 76.7 | Confident | 75.9 | Confident | 172 Ų | 172 | 95.2 Ų | 95.2 | 80% | 0.804 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 129.6 | 171.7 | -168.9 | 176.3 | 176.8 | 0 | 0 | 108.9 | N66 | N66-E68 PolarHBondContact O-N 2.91Š|
| 69 | E | 81.7 | Confident | 77.8 | Confident | 53 Ų | 53 | 93.8 Ų | 93.8 | 25% | 0.248 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 125.3 | -178.4 | -70.6 | -179.8 | 165.7 | 0 | 0 | 109.1 | K67 V71 R121 | K67-E69 PolarHBondContact O-N 3.34Å; E69-V71 WeakPolarHBondContact O-CG2 3.45Å; E69-V71 PolarHBondContact O-N 3.44Å; E69-R121 IonicContact OE1-CZ 3.69Å; E69-R121 IonicContact OE1-NH1 3.68Å; E69-R121 IonicContact OE1-NH2 2.9Å; E69-R121 PolarHBondContact OE1-NH2 2.79Å; E69-R121 IonicContact OE2-CZ 3.28Å; E69-R121 VanDerWaalsContact OE2-CZ 3.28Å; E69-R121 IonicContact OE2-NH1 2.68Å; E69-R121 PolarHBondContact OE2-NH1 3.11Å; E69-R121 IonicContact OE2-NH2 3.3Å; E69-R121 PolarHBondContact OE2-NH2 3.2Å |
| 70 | P | 88.5 | Confident | 80 | Confident | 50 Ų | 50 | 84.9 Ų | 84.9 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 136.2 | -174.8 | 26.9 | -35.9 | 0 | 0 | 0 | 111.2 | Y72 V115 | P70-Y72 HydrophobicContact CB-CE2 3.7Å; P70-Y72 WeakPolarHBondContact CB-OH 3.34Å; P70-Y72 HydrophobicContact CG-CE2 3.91Å; P70-V115 WeakPolarHBondContact CD-O 3.47Å |
| 71 | V | 91.2 | Very high | 82 | Confident | 59 Ų | 59 | 79.9 Ų | 79.9 | 36% | 0.358 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.9 | -174.7 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | E69 R112 M114 | E69-V71 WeakPolarHBondContact O-CG2 3.45Å; E69-V71 PolarHBondContact O-N 3.44Å; V71-R112 HydrophobicContact CG1-CG 3.41Å; V71-R112 VanDerWaalsContact CG1-CG 3.41Å; V71-M114 HydrophobicContact CG2-CG 4.1Å; V71-M114 HydrophobicContact CG2-SD 4.29Å |
| 72 | Y | 93.5 | Very high | 83.8 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 17% | 0.173 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.4 | -179.5 | -53.7 | -85.3 | 0 | 0 | 0 | 111.3 | P70 R112 L113 I185 | P70-Y72 HydrophobicContact CB-CE2 3.7Å; P70-Y72 WeakPolarHBondContact CB-OH 3.34Å; P70-Y72 HydrophobicContact CG-CE2 3.91Å; Y72-R112 CarbonylContact O-C 3.55Å; Y72-R112 WeakPolarHBondContact O-CA 3.31Å; Y72-L113 PolarHBondContact N-O 3.36Å; Y72-L113 PolarHBondContact O-N 3Å; Y72-I185 HydrophobicContact CD1-CD1 3.78Å; Y72-I185 HydrophobicContact CD1-CG1 3.87Å; Y72-I185 HydrophobicContact CD2-CD1 3.96Å; Y72-I185 HydrophobicContact CD2-CG1 3.73Å; Y72-I185 HydrophobicContact CE1-CD1 4.16Å; Y72-I185 HydrophobicContact CE1-CG1 3.73Å; Y72-I185 HydrophobicContact CE2-CD1 4.33Å; Y72-I185 HydrophobicContact CE2-CG1 3.6Å; Y72-I185 HydrophobicContact CG-CD1 3.66Å; Y72-I185 HydrophobicContact CG-CG1 3.85Å |
| 73 | N | 94.4 | Very high | 85.5 | Confident | 130 Ų | 130 | 74.8 Ų | 74.8 | 70% | 0.695 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 118.2 | 168 | -66.5 | -46.1 | 0 | 0 | 0 | 108.9 | ||
| 74 | V | 95.7 | Very high | 86.9 | Confident | 7 Ų | 7 | 75.9 Ų | 75.9 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 163.3 | -176.5 | -56.4 | 0 | 0 | 0 | 0 | 111 | M111 L113 V174 V176 | V74-M111 HydrophobicContact CG2-CB 4.39Å; V74-M111 PolarHBondContact N-O 3.46Å; V74-M111 PolarHBondContact O-N 3.17Å; V74-L113 HydrophobicContact CG1-CB 3.95Å; V74-L113 HydrophobicContact CG1-CD2 4.03Å; V74-L113 HydrophobicContact CG2-CB 3.76Å; V74-V174 HydrophobicContact CB-CB 4.16Å; V74-V174 HydrophobicContact CB-CG2 4.39Å; V74-V174 HydrophobicContact CG1-CG2 4.47Å; V74-V174 HydrophobicContact CG2-CB 4.15Å; V74-V174 HydrophobicContact CG2-CG1 4.13Å; V74-V176 HydrophobicContact CG1-CG2 4.12Å |
| 75 | R | 95.8 | Very high | 88.1 | Confident | 111 Ų | 111 | 72 Ų | 72 | 42% | 0.419 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 114.7 | 170.7 | -71.2 | -172.8 | -72.3 | 180 | -5.3 | 108.9 | L77 S108 V109 K110 V174 L175 | R75-L77 PolarHBondContact O-N 3.04Å; R75-S108 WeakPolarHBondContact CD-OG 3.32Å; R75-V109 CarbonylContact C-O 3.53Å; R75-V109 WeakPolarHBondContact CA-O 3.35Å; R75-K110 HydrophobicContact CG-CG 4.26Å; R75-V174 CarbonylContact O-C 3.53Å; R75-V174 WeakPolarHBondContact O-CA 3.38Å; R75-L175 HydrophobicContact CB-CB 4.22Å; R75-L175 PolarHBondContact N-O 2.93Å; R75-L175 VanDerWaalsContact NH2-CD2 3.31Å; R75-L175 PolarHBondContact O-N 2.8Å |
| 76 | Y | 96.6 | Very high | 89.5 | Confident | 34 Ų | 34 | 74.8 Ų | 74.8 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 121.4 | 177.5 | -177.6 | -110.9 | 0 | 0 | 0 | 110 | G78 S79 S108 V109 M111 M122 H172 V174 | Y76-G78 PolarHBondContact OH-O 2.87Å; Y76-S79 WeakPolarHBondContact OH-CB 3.35Å; Y76-S108 WeakPolarHBondContact O-CA 3.48Å; Y76-S108 WeakPolarHBondContact O-CB 3.26Å; Y76-V109 PolarHBondContact N-O 2.87Å; Y76-V109 PolarHBondContact O-N 3.28Å; Y76-M111 HydrophobicContact CD1-CE 4.27Å; Y76-M111 HydrophobicContact CG-CE 4.45Å; Y76-M111 HydrophobicContact CG-SD 4.21Å; Y76-M122 HydrophobicContact CD2-CE 3.95Å; Y76-M122 HydrophobicContact CD2-SD 4.26Å; Y76-M122 HydrophobicContact CE2-CE 3.98Å; Y76-M122 HydrophobicContact CG-CE 4.5Å; Y76-H172 HydrophobicContact CE2-CB 4.42Å; Y76-H172 AromaticContact CZ-ND1 3.98Å; Y76-H172 PolarHBondContact OH-ND1 3.41Å; Y76-V174 HydrophobicContact CD2-CG1 3.82Å |
| 77 | L | 96.5 | Very high | 90.7 | Very high | 16 Ų | 16 | 69.3 Ų | 69.3 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -26.3 | -177 | -60.3 | 176.3 | 0 | 0 | 0 | 112.1 | R75 I98 W99 I153 A173 L175 | R75-L77 PolarHBondContact O-N 3.04Å; L77-I98 HydrophobicContact CB-CG2 3.6Å; L77-W99 HydrophobicContact CD1-CE3 3.96Å; L77-W99 HydrophobicContact CD1-CZ3 4.22Å; L77-W99 HydrophobicContact CD2-CZ3 4.3Å; L77-I153 HydrophobicContact CD1-CD1 4.02Å; L77-I153 HydrophobicContact CD1-CG1 4.25Å; L77-I153 HydrophobicContact CD1-CG2 4.3Å; L77-A173 HydrophobicContact CD1-CB 4.37Å; L77-A173 PolarHBondContact N-O 3.41Å; L77-L175 HydrophobicContact CD1-CB 4.15Å; L77-L175 HydrophobicContact CD2-CB 3.99Å; L77-L175 HydrophobicContact CG-CB 4.11Å |
| 78 | G | 95.3 | Very high | 91.6 | Very high | 16 Ų | 16 | 70 Ų | 70 | 17% | 0.165 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.3 | -161.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y76 A173 | Y76-G78 PolarHBondContact OH-O 2.87Å; G78-A173 PolarHBondContact O-N 2.91Å; G78-A173 VanDerWaalsContact O-N 3.15Å |
| 79 | S | 95.8 | Very high | 92.1 | Very high | 33 Ų | 33 | 63 Ų | 63 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 150.9 | -176.7 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | Y76 R170 C171 H172 | Y76-S79 WeakPolarHBondContact OH-CB 3.35Å; S79-R170 WeakPolarHBondContact OG-CD 3.47Å; S79-R170 PolarHBondContact OG-NH1 3.46Å; S79-C171 CarbonylContact C-O 3.51Å; S79-C171 WeakPolarHBondContact CA-O 3.36Å; S79-C171 WeakPolarHBondContact CB-O 3.39Å; S79-H172 WeakPolarHBondContact CB-ND1 3.28Å |
| 80 | V | 97 | Very high | 92.6 | Very high | 14 Ų | 14 | 61 Ų | 61 | 9% | 0.085 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 146.7 | 176.8 | 72.2 | 0 | 0 | 0 | 0 | 109.9 | A94 I98 R170 C171 | V80-A94 HydrophobicContact CG1-CB 3.59Å; V80-I98 HydrophobicContact CB-CD1 4.35Å; V80-I98 HydrophobicContact CB-CG1 4.01Å; V80-I98 HydrophobicContact CG1-CD1 3.88Å; V80-I98 HydrophobicContact CG1-CG1 3.87Å; V80-R170 CarbonylContact O-C 3.56Å; V80-R170 WeakPolarHBondContact O-CA 3.41Å; V80-R170 WeakPolarHBondContact O-CG 3.43Å; V80-C171 HydrophobicContact CG1-CB 4.24Å; V80-C171 PolarHBondContact N-O 3.05Å; V80-C171 PolarHBondContact O-N 3.47Å |
| 81 | V | 95.9 | Very high | 92.9 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 135.6 | 172.6 | 178 | 0 | 0 | 0 | 0 | 108.5 | V168 L169 | V81-V168 HydrophobicContact CG1-CG1 3.76Å; V81-V168 HydrophobicContact CG2-CG1 4.04Å; V81-L169 WeakPolarHBondContact CA-O 3.41Å |
| 82 | T | 94.8 | Very high | 93 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 12% | 0.117 | 33% | 0.327 | C | S | . | . | trans | -124.8 | 156.5 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | T84 I157 L169 C171 | T82-T84 PolarHBondContact OG1-N 3.06Å; T82-I157 HydrophobicContact CG2-CD1 4.29Å; T82-I157 HydrophobicContact CG2-CG1 4.44Å; T82-I157 HydrophobicContact CG2-CG2 3.9Å; T82-L169 HydrophobicContact CG2-CB 3.83Å; T82-L169 PolarHBondContact N-O 3.35Å; T82-L169 WeakPolarHBondContact O-CB 3.41Å; T82-C171 HydrophobicContact CG2-CB 4.35Å | ||
| 83 | I | 90.5 | Very high | 93.1 | Very high | 161 Ų | 161 | 63.7 Ų | 63.7 | 83% | 0.826 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -96.3 | -31.7 | 177.3 | -57.4 | 171.5 | 0 | 0 | 0 | 109.8 | L169 | I83-L169 WeakPolarHBondContact O-CD1 3.34Š|
| 84 | T | 90.4 | Very high | 93.2 | Very high | 69 Ų | 69 | 57.8 Ų | 57.8 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | trans | -90.1 | 125.1 | -174.4 | -49 | 0 | 0 | 0 | 0 | 110.8 | T82 K86 C90 I157 | T82-T84 PolarHBondContact OG1-N 3.06Å; T84-K86 VanDerWaalsContact CG2-O 3.28Å; T84-K86 WeakPolarHBondContact CG2-O 3.44Å; T84-C90 HydrophobicContact CG2-CB 3.49Å; T84-C90 VanDerWaalsContact CG2-CB 3.49Å; T84-I157 WeakPolarHBondContact O-CD1 3.19Å | ||
| 85 | A | 89.1 | Confident | 93.2 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | trans | -87.4 | -28.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T142 L169 | A85-T142 HydrophobicContact CB-CG2 4.3Å; A85-T142 WeakPolarHBondContact O-CB 3.39Å; A85-T142 PolarHBondContact O-OG1 2.84Å; A85-L169 HydrophobicContact CB-CD1 3.65Å; A85-L169 HydrophobicContact CB-CD2 4.31Å | ||
| 86 | K | 89.8 | Confident | 93.2 | Very high | 161 Ų | 161 | 54.1 Ų | 54.1 | 70% | 0.7 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -160.2 | 163 | -172.1 | 62.8 | 176.5 | -177.1 | 174.6 | 0 | 110.4 | T84 | T84-K86 VanDerWaalsContact CG2-O 3.28Å; T84-K86 WeakPolarHBondContact CG2-O 3.44Å |
| 87 | G | 88.3 | Confident | 93.2 | Very high | 39 Ų | 39 | 57.1 Ų | 57.1 | 40% | 0.402 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 115.8 | 167.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G89 C90 | G87-G89 PolarHBondContact O-N 3.39Å; G87-C90 WeakPolarHBondContact O-CB 3.25Å; G87-C90 PolarHBondContact O-N 3.37Å; G87-C90 PolarHBondContact O-SG 2.88Å |
| 88 | D | 85.4 | Confident | 93.2 | Very high | 168 Ų | 168 | 56.6 Ų | 56.6 | 90% | 0.898 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 134.7 | -179.3 | -63.9 | -32 | 0 | 0 | 0 | 110.3 | C90 | D88-C90 PolarHBondContact O-N 3.4Š|
| 89 | G | 88.1 | Confident | 93.3 | Very high | 26 Ų | 26 | 58.4 Ų | 58.4 | 27% | 0.268 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 0.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G87 T91 Q92 | G87-G89 PolarHBondContact O-N 3.39Å; G89-T91 PolarHBondContact O-N 2.84Å; G89-Q92 WeakPolarHBondContact O-CB 3.29Å; G89-Q92 PolarHBondContact O-N 3.3Å |
| 90 | C | 92.5 | Very high | 93.4 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.6 | -175.8 | 66.3 | 0 | 0 | 0 | 0 | 114.7 | T84 G87 D88 Y143 I157 | T84-C90 HydrophobicContact CG2-CB 3.49Å; T84-C90 VanDerWaalsContact CG2-CB 3.49Å; G87-C90 WeakPolarHBondContact O-CB 3.25Å; G87-C90 PolarHBondContact O-N 3.37Å; G87-C90 PolarHBondContact O-SG 2.88Å; D88-C90 PolarHBondContact O-N 3.4Å; C90-Y143 WeakPolarHBondContact SG-CD1 3.48Å; C90-I157 HydrophobicContact CB-CD1 4.32Å |
| 91 | T | 94.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -15.3 | 177 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | G89 E93 A94 V95 Y143 A155 I157 | G89-T91 PolarHBondContact O-N 2.84Å; T91-E93 PolarHBondContact O-N 2.98Å; T91-A94 PolarHBondContact O-N 3.18Å; T91-V95 VanDerWaalsContact O-CB 3.3Å; T91-V95 WeakPolarHBondContact O-CB 3.46Å; T91-V95 WeakPolarHBondContact O-CG2 3.44Å; T91-V95 PolarHBondContact O-N 3.35Å; T91-Y143 HydrophobicContact CG2-CD1 3.53Å; T91-Y143 HydrophobicContact CG2-CE1 3.72Å; T91-A155 HydrophobicContact CG2-CB 4.24Å; T91-I157 HydrophobicContact CG2-CD1 3.83Å; T91-I157 HydrophobicContact CG2-CG1 3.84Å |
| 92 | Q | 94.1 | Very high | 93.3 | Very high | 77 Ų | 77 | 63.2 Ų | 63.2 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -48.7 | -167.7 | -71.7 | 176 | 11 | 0 | 0 | 112.3 | G89 V95 A96 | G89-Q92 WeakPolarHBondContact O-CB 3.29Å; G89-Q92 PolarHBondContact O-N 3.3Å; Q92-V95 PolarHBondContact O-N 2.96Å; Q92-A96 WeakPolarHBondContact O-CB 3.29Å; Q92-A96 PolarHBondContact O-N 3.38Å |
| 93 | E | 94.6 | Very high | 93.3 | Very high | 130 Ų | 130 | 65.4 Ų | 65.4 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 179 | -166.9 | -164.7 | 155.8 | 0 | 0 | 111.5 | T91 A96 K97 | T91-E93 PolarHBondContact O-N 2.98Å; E93-A96 PolarHBondContact O-N 3.33Å; E93-K97 WeakPolarHBondContact O-CG 3.46Å; E93-K97 PolarHBondContact O-N 3.49Å; E93-K97 WeakPolarHBondContact OE1-CE 3.41Å; E93-K97 IonicContact OE1-NZ 3Å; E93-K97 PolarHBondContact OE1-NZ 2.84Å |
| 94 | A | 95.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 65 Ų | 65 | 5% | 0.05 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V80 T91 K97 I98 C171 | V80-A94 HydrophobicContact CG1-CB 3.59Å; T91-A94 PolarHBondContact O-N 3.18Å; A94-K97 PolarHBondContact O-N 3.05Å; A94-I98 VanDerWaalsContact O-CG1 3.29Å; A94-I98 WeakPolarHBondContact O-CG1 3.35Å; A94-I98 PolarHBondContact O-N 3.33Å; A94-C171 HydrophobicContact CB-CB 3.64Å |
| 95 | V | 96.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66 | -42.2 | 176 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | T91 Q92 K97 I98 W99 D147 I153 A155 | T91-V95 VanDerWaalsContact O-CB 3.3Å; T91-V95 WeakPolarHBondContact O-CB 3.46Å; T91-V95 WeakPolarHBondContact O-CG2 3.44Å; T91-V95 PolarHBondContact O-N 3.35Å; Q92-V95 PolarHBondContact O-N 2.96Å; V95-K97 VanDerWaalsContact C-N 3.32Å; V95-K97 PolarHBondContact O-N 3.48Å; V95-I98 PolarHBondContact O-N 2.9Å; V95-W99 VanDerWaalsContact O-CB 3.23Å; V95-W99 WeakPolarHBondContact O-CB 3.48Å; V95-W99 PolarHBondContact O-N 3.4Å; V95-D147 HydrophobicContact CG1-CB 4.14Å; V95-I153 HydrophobicContact CG1-CB 4.48Å; V95-I153 HydrophobicContact CG1-CD1 4.02Å; V95-I153 HydrophobicContact CG1-CG2 3.92Å; V95-A155 HydrophobicContact CG2-CB 3.52Å |
| 96 | A | 96 | Very high | 93.6 | Very high | 39 Ų | 39 | 67.4 Ų | 67.4 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q92 E93 W99 A100 | Q92-A96 WeakPolarHBondContact O-CB 3.29Å; Q92-A96 PolarHBondContact O-N 3.38Å; E93-A96 PolarHBondContact O-N 3.33Å; A96-W99 PolarHBondContact O-N 3.21Å; A96-A100 PolarHBondContact O-N 3Å |
| 97 | K | 96.7 | Very high | 93.7 | Very high | 97 Ų | 97 | 66.3 Ų | 66.3 | 42% | 0.422 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62 | -45 | 174.8 | -74.9 | 170.6 | 173.5 | 168.1 | 0 | 112.4 | E93 A94 V95 W99 R101 | E93-K97 WeakPolarHBondContact O-CG 3.46Å; E93-K97 PolarHBondContact O-N 3.49Å; E93-K97 WeakPolarHBondContact OE1-CE 3.41Å; E93-K97 IonicContact OE1-NZ 3Å; E93-K97 PolarHBondContact OE1-NZ 2.84Å; A94-K97 PolarHBondContact O-N 3.05Å; V95-K97 VanDerWaalsContact C-N 3.32Å; V95-K97 PolarHBondContact O-N 3.48Å; K97-W99 VanDerWaalsContact C-N 3.33Å; K97-R101 WeakPolarHBondContact O-CB 3.38Å; K97-R101 VanDerWaalsContact O-CG 3.24Å; K97-R101 WeakPolarHBondContact O-CG 3.23Å; K97-R101 PolarHBondContact O-N 2.99Å |
| 98 | I | 97.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 177.1 | -67.1 | 164.2 | 0 | 0 | 0 | 110.4 | L77 V80 A94 V95 R101 S102 A173 | L77-I98 HydrophobicContact CB-CG2 3.6Å; V80-I98 HydrophobicContact CB-CD1 4.35Å; V80-I98 HydrophobicContact CB-CG1 4.01Å; V80-I98 HydrophobicContact CG1-CD1 3.88Å; V80-I98 HydrophobicContact CG1-CG1 3.87Å; A94-I98 VanDerWaalsContact O-CG1 3.29Å; A94-I98 WeakPolarHBondContact O-CG1 3.35Å; A94-I98 PolarHBondContact O-N 3.33Å; V95-I98 PolarHBondContact O-N 2.9Å; I98-R101 PolarHBondContact O-N 3.38Å; I98-S102 WeakPolarHBondContact O-CB 3.39Å; I98-S102 PolarHBondContact O-N 3Å; I98-S102 PolarHBondContact O-OG 3.26Å; I98-A173 HydrophobicContact CD1-CB 3.86Å; I98-A173 HydrophobicContact CG2-CB 4.08Å |
| 99 | W | 96.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61 | -48.8 | -178.7 | -175 | -120.9 | 0 | 0 | 0 | 111.9 | L77 V95 A96 K97 S102 Y104 I153 L175 | L77-W99 HydrophobicContact CD1-CE3 3.96Å; L77-W99 HydrophobicContact CD1-CZ3 4.22Å; L77-W99 HydrophobicContact CD2-CZ3 4.3Å; V95-W99 VanDerWaalsContact O-CB 3.23Å; V95-W99 WeakPolarHBondContact O-CB 3.48Å; V95-W99 PolarHBondContact O-N 3.4Å; A96-W99 PolarHBondContact O-N 3.21Å; K97-W99 VanDerWaalsContact C-N 3.33Å; W99-S102 PolarHBondContact O-N 3.13Å; W99-S102 PolarHBondContact O-OG 3.23Å; W99-Y104 AromaticContact CD1-CD1 3.81Å; W99-Y104 AromaticContact CE2-CD1 3.83Å; W99-Y104 WeakPolarHBondContact CH2-O 3.35Å; W99-Y104 HydrophobicContact CZ2-CD1 4.28Å; W99-Y104 WeakPolarHBondContact CZ2-O 3.28Å; W99-Y104 AromaticContact NE1-CD1 3.29Å; W99-Y104 VanDerWaalsContact NE1-CD1 3.29Å; W99-Y104 AromaticContact NE1-CE1 3.95Å; W99-Y104 PolarHBondContact O-N 2.92Å; W99-Y104 VanDerWaalsContact O-N 3.1Å; W99-I153 HydrophobicContact CD2-CD1 4.04Å; W99-I153 HydrophobicContact CE3-CD1 3.69Å; W99-I153 HydrophobicContact CG-CD1 4.49Å; W99-I153 HydrophobicContact CZ3-CD1 4.16Å; W99-L175 HydrophobicContact CZ3-CD2 4.34Å |
| 100 | A | 96.5 | Very high | 94.6 | Very high | 58 Ų | 58 | 68.2 Ų | 68.2 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A96 S102 N103 | A96-A100 PolarHBondContact O-N 3Å; A100-S102 VanDerWaalsContact C-N 3.28Å; A100-S102 PolarHBondContact O-N 2.91Å; A100-N103 PolarHBondContact O-N 3.21Å |
| 101 | R | 96.4 | Very high | 94.6 | Very high | 168 Ų | 168 | 68.6 Ų | 68.6 | 63% | 0.634 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.5 | -31.1 | 177.9 | -75.4 | 175.5 | -178.1 | -172.4 | -0.7 | 113.6 | K97 I98 N103 | K97-R101 WeakPolarHBondContact O-CB 3.38Å; K97-R101 VanDerWaalsContact O-CG 3.24Å; K97-R101 WeakPolarHBondContact O-CG 3.23Å; K97-R101 PolarHBondContact O-N 2.99Å; I98-R101 PolarHBondContact O-N 3.38Å; R101-N103 PolarHBondContact O-N 3.16Å |
| 102 | S | 94.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 9.6 | 179.4 | 69.3 | 0 | 0 | 0 | 0 | 114 | I98 W99 A100 Y104 G105 E106 Q107 | I98-S102 WeakPolarHBondContact O-CB 3.39Å; I98-S102 PolarHBondContact O-N 3Å; I98-S102 PolarHBondContact O-OG 3.26Å; W99-S102 PolarHBondContact O-N 3.13Å; W99-S102 PolarHBondContact O-OG 3.23Å; A100-S102 VanDerWaalsContact C-N 3.28Å; A100-S102 PolarHBondContact O-N 2.91Å; S102-Y104 VanDerWaalsContact C-N 3.32Å; S102-Y104 PolarHBondContact O-N 3.32Å; S102-G105 PolarHBondContact O-N 3.4Å; S102-G105 VanDerWaalsContact O-N 3.12Å; S102-G105 PolarHBondContact OG-N 2.74Å; S102-E106 PolarHBondContact O-N 2.87Å; S102-Q107 PolarHBondContact O-N 3.18Å |
| 103 | N | 95.4 | Very high | 94.6 | Very high | 66 Ų | 66 | 67.4 Ų | 67.4 | 35% | 0.353 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 55.7 | -168.1 | -161.9 | 37.1 | 0 | 0 | 0 | 111.8 | A100 R101 G105 E106 Q107 | A100-N103 PolarHBondContact O-N 3.21Å; R101-N103 PolarHBondContact O-N 3.16Å; N103-G105 PolarHBondContact O-N 3.46Å; N103-G105 VanDerWaalsContact O-N 3.14Å; N103-E106 HydrophobicContact CB-CB 4.33Å; N103-E106 PolarHBondContact ND2-OE2 2.86Å; N103-E106 WeakPolarHBondContact O-CB 3.47Å; N103-E106 WeakPolarHBondContact O-CG 3.1Å; N103-E106 PolarHBondContact O-N 2.93Å; N103-Q107 HydrophobicContact CB-CG 4.31Å |
| 104 | Y | 93.1 | Very high | 94.5 | Very high | 151 Ų | 151 | 62.6 Ų | 62.6 | 59% | 0.592 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 34.6 | 179 | -52.4 | -88.1 | 0 | 0 | 0 | 113.8 | W99 S102 | W99-Y104 AromaticContact CD1-CD1 3.81Å; W99-Y104 AromaticContact CE2-CD1 3.83Å; W99-Y104 WeakPolarHBondContact CH2-O 3.35Å; W99-Y104 HydrophobicContact CZ2-CD1 4.28Å; W99-Y104 WeakPolarHBondContact CZ2-O 3.28Å; W99-Y104 AromaticContact NE1-CD1 3.29Å; W99-Y104 VanDerWaalsContact NE1-CD1 3.29Å; W99-Y104 AromaticContact NE1-CE1 3.95Å; W99-Y104 PolarHBondContact O-N 2.92Å; W99-Y104 VanDerWaalsContact O-N 3.1Å; S102-Y104 VanDerWaalsContact C-N 3.32Å; S102-Y104 PolarHBondContact O-N 3.32Å |
| 105 | G | 89.8 | Confident | 94.4 | Very high | 5 Ų | 5 | 62.3 Ų | 62.3 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 1.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S102 N103 S108 | S102-G105 PolarHBondContact O-N 3.4Å; S102-G105 VanDerWaalsContact O-N 3.12Å; S102-G105 PolarHBondContact OG-N 2.74Å; N103-G105 PolarHBondContact O-N 3.46Å; N103-G105 VanDerWaalsContact O-N 3.14Å; G105-S108 WeakPolarHBondContact O-CB 3.44Å; G105-S108 PolarHBondContact O-OG 3.09Å |
| 106 | E | 92.3 | Very high | 94 | Very high | 147 Ų | 147 | 62.5 Ų | 62.5 | 69% | 0.687 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -46 | 172.2 | -68 | -179.3 | -174.9 | 0 | 0 | 111.3 | S102 N103 S108 | S102-E106 PolarHBondContact O-N 2.87Å; N103-E106 HydrophobicContact CB-CB 4.33Å; N103-E106 PolarHBondContact ND2-OE2 2.86Å; N103-E106 WeakPolarHBondContact O-CB 3.47Å; N103-E106 WeakPolarHBondContact O-CG 3.1Å; N103-E106 PolarHBondContact O-N 2.93Å; E106-S108 VanDerWaalsContact C-N 3.32Å; E106-S108 PolarHBondContact O-N 3.4Å |
| 107 | Q | 92.8 | Very high | 93.6 | Very high | 138 Ų | 138 | 64 Ų | 64 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -84.7 | 76.4 | 176.2 | -62 | -175.4 | -2 | 0 | 0 | 109.7 | S102 N103 | S102-Q107 PolarHBondContact O-N 3.18Å; N103-Q107 HydrophobicContact CB-CG 4.31Å |
| 108 | S | 93.1 | Very high | 93.1 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | trans | -138 | 148 | -178.8 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | R75 Y76 G105 E106 | R75-S108 WeakPolarHBondContact CD-OG 3.32Å; Y76-S108 WeakPolarHBondContact O-CA 3.48Å; Y76-S108 WeakPolarHBondContact O-CB 3.26Å; G105-S108 WeakPolarHBondContact O-CB 3.44Å; G105-S108 PolarHBondContact O-OG 3.09Å; E106-S108 VanDerWaalsContact C-N 3.32Å; E106-S108 PolarHBondContact O-N 3.4Å | ||
| 109 | V | 93.6 | Very high | 92.9 | Very high | 78 Ų | 78 | 65 Ų | 65 | 47% | 0.473 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.2 | -178.1 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | R75 Y76 M111 | R75-V109 CarbonylContact C-O 3.53Å; R75-V109 WeakPolarHBondContact CA-O 3.35Å; Y76-V109 PolarHBondContact N-O 2.87Å; Y76-V109 PolarHBondContact O-N 3.28Å; V109-M111 HydrophobicContact CB-CE 4.17Å; V109-M111 HydrophobicContact CG1-CE 3.8Å; V109-M111 HydrophobicContact CG1-CG 4.16Å; V109-M111 PolarHBondContact O-N 3.48Å |
| 110 | K | 93.5 | Very high | 92.8 | Very high | 165 Ų | 165 | 62.5 Ų | 62.5 | 72% | 0.717 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 123.8 | 174.8 | -67.1 | 178.6 | -176.5 | 173.4 | 0 | 109.5 | R75 | R75-K110 HydrophobicContact CG-CG 4.26Å |
| 111 | M | 93.8 | Very high | 92.7 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 154.9 | -180 | -67 | -170.2 | 177.7 | 0 | 0 | 110.9 | V74 Y76 V109 M122 S123 | V74-M111 HydrophobicContact CG2-CB 4.39Å; V74-M111 PolarHBondContact N-O 3.46Å; V74-M111 PolarHBondContact O-N 3.17Å; Y76-M111 HydrophobicContact CD1-CE 4.27Å; Y76-M111 HydrophobicContact CG-CE 4.45Å; Y76-M111 HydrophobicContact CG-SD 4.21Å; V109-M111 HydrophobicContact CB-CE 4.17Å; V109-M111 HydrophobicContact CG1-CE 3.8Å; V109-M111 HydrophobicContact CG1-CG 4.16Å; V109-M111 PolarHBondContact O-N 3.48Å; M111-M122 HydrophobicContact SD-CB 4.23Å; M111-M122 HydrophobicContact SD-CE 3.98Å; M111-M122 HydrophobicContact SD-SD 4.47Å; M111-S123 WeakPolarHBondContact CA-O 3.47Å |
| 112 | R | 93 | Very high | 92.5 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.3 | 168.2 | 179.3 | -176.8 | 163 | 172.1 | 3.2 | 108.5 | V71 Y72 M114 M122 S123 | V71-R112 HydrophobicContact CG1-CG 3.41Å; V71-R112 VanDerWaalsContact CG1-CG 3.41Å; Y72-R112 CarbonylContact O-C 3.55Å; Y72-R112 WeakPolarHBondContact O-CA 3.31Å; R112-M114 PolarHBondContact NH2-SD 2.87Å; R112-M122 CarbonylContact O-C 3.52Å; R112-M122 WeakPolarHBondContact O-CA 3.45Å; R112-S123 PolarHBondContact N-O 3.33Å; R112-S123 PolarHBondContact O-N 2.91Å |
| 113 | L | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.2 | 178.5 | -174.2 | 75.4 | 0 | 0 | 0 | 109 | Y72 V74 I120 R121 M122 L154 I185 | Y72-L113 PolarHBondContact N-O 3.36Å; Y72-L113 PolarHBondContact O-N 3Å; V74-L113 HydrophobicContact CG1-CB 3.95Å; V74-L113 HydrophobicContact CG1-CD2 4.03Å; V74-L113 HydrophobicContact CG2-CB 3.76Å; L113-I120 HydrophobicContact CD1-CG2 3.2Å; L113-I120 HydrophobicContact CG-CG2 4.23Å; L113-R121 WeakPolarHBondContact CA-O 3.48Å; L113-M122 HydrophobicContact CD1-CG 3.71Å; L113-M122 HydrophobicContact CD1-SD 4.12Å; L113-L154 HydrophobicContact CD2-CD2 4.05Å; L113-I185 HydrophobicContact CD2-CD1 4.31Å; L113-I185 HydrophobicContact CD2-CG2 4.09Å |
| 114 | M | 93.6 | Very high | 91.9 | Very high | 29 Ų | 29 | 53.7 Ų | 53.7 | 14% | 0.143 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.6 | 173.2 | -61.6 | -178.3 | -68.3 | 0 | 0 | 109.2 | V71 R112 I120 R121 | V71-M114 HydrophobicContact CG2-CG 4.1Å; V71-M114 HydrophobicContact CG2-SD 4.29Å; R112-M114 PolarHBondContact NH2-SD 2.87Å; M114-I120 WeakPolarHBondContact O-CA 3.4Å; M114-R121 HydrophobicContact CB-CB 4.36Å; M114-R121 HydrophobicContact CE-CB 4.08Å; M114-R121 PolarHBondContact N-O 3.03Å; M114-R121 PolarHBondContact O-N 2.69Å |
| 115 | V | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.6 | 178.7 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | P70 I185 L189 | P70-V115 WeakPolarHBondContact CD-O 3.47Å; V115-I185 HydrophobicContact CG2-CG2 3.69Å; V115-L189 HydrophobicContact CG1-CB 3.97Å; V115-L189 HydrophobicContact CG1-CD1 3.69Å; V115-L189 HydrophobicContact CG1-CG 4.47Å |
| 116 | G | 89.3 | Confident | 90.3 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | -171.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q118 G119 N192 | G116-Q118 PolarHBondContact O-N 2.77Å; G116-G119 PolarHBondContact N-O 3.44Å; G116-G119 PolarHBondContact O-N 2.73Å; G116-G119 VanDerWaalsContact O-N 3.1Å; G116-N192 VanDerWaalsContact C-ND2 3.32Å; G116-N192 WeakPolarHBondContact CA-ND2 3.43Å; G116-N192 PolarHBondContact O-ND2 2.93Å |
| 117 | S | 86.7 | Confident | 89.1 | Confident | 71 Ų | 71 | 53.5 Ų | 53.5 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -19.6 | 179.8 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | L138 | S117-L138 WeakPolarHBondContact O-CD1 3.27Š|
| 118 | Q | 87 | Confident | 87.8 | Confident | 123 Ų | 123 | 48.8 Ų | 48.8 | 58% | 0.575 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -19.1 | 175.1 | -59.9 | -59.6 | -30.9 | 0 | 0 | 112.5 | G116 S137 L138 | G116-Q118 PolarHBondContact O-N 2.77Å; Q118-S137 WeakPolarHBondContact O-CA 3.32Å; Q118-L138 PolarHBondContact O-N 3Å |
| 119 | G | 92.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.7 | -141.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G116 Y136 L138 | G116-G119 PolarHBondContact N-O 3.44Å; G116-G119 PolarHBondContact O-N 2.73Å; G116-G119 VanDerWaalsContact O-N 3.1Å; G119-Y136 WeakPolarHBondContact CA-O 3.21Å; G119-L138 VanDerWaalsContact CA-CG 3.48Å |
| 120 | I | 95.1 | Very high | 85.4 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127.3 | -176.7 | -56.7 | 175.5 | 0 | 0 | 0 | 109.1 | L113 M114 M122 Y136 I141 W156 L189 | L113-I120 HydrophobicContact CD1-CG2 3.2Å; L113-I120 HydrophobicContact CG-CG2 4.23Å; M114-I120 WeakPolarHBondContact O-CA 3.4Å; I120-M122 HydrophobicContact CG2-CG 4.24Å; I120-Y136 HydrophobicContact CB-CD2 4.19Å; I120-Y136 HydrophobicContact CG2-CD2 4.2Å; I120-Y136 PolarHBondContact N-O 3.18Å; I120-Y136 PolarHBondContact O-N 2.97Å; I120-I141 HydrophobicContact CD1-CD1 3.88Å; I120-I141 HydrophobicContact CG1-CD1 3.96Å; I120-W156 HydrophobicContact CD1-CD2 3.76Å; I120-W156 HydrophobicContact CD1-CE3 4.18Å; I120-W156 HydrophobicContact CD1-CG 3.92Å; I120-L189 HydrophobicContact CD1-CD1 4.33Å; I120-L189 HydrophobicContact CD1-CD2 3.79Å; I120-L189 HydrophobicContact CG1-CD1 3.69Å; I120-L189 HydrophobicContact CG1-CD2 4.1Å |
| 121 | R | 93.8 | Very high | 84.4 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.6 | 170.9 | -53.1 | -170.3 | -158.6 | 118 | 17.4 | 109.4 | E69 L113 M114 P132 L135 | E69-R121 IonicContact OE1-CZ 3.69Å; E69-R121 IonicContact OE1-NH1 3.68Å; E69-R121 IonicContact OE1-NH2 2.9Å; E69-R121 PolarHBondContact OE1-NH2 2.79Å; E69-R121 IonicContact OE2-CZ 3.28Å; E69-R121 VanDerWaalsContact OE2-CZ 3.28Å; E69-R121 IonicContact OE2-NH1 2.68Å; E69-R121 PolarHBondContact OE2-NH1 3.11Å; E69-R121 IonicContact OE2-NH2 3.3Å; E69-R121 PolarHBondContact OE2-NH2 3.2Å; L113-R121 WeakPolarHBondContact CA-O 3.48Å; M114-R121 HydrophobicContact CB-CB 4.36Å; M114-R121 HydrophobicContact CE-CB 4.08Å; M114-R121 PolarHBondContact N-O 3.03Å; M114-R121 PolarHBondContact O-N 2.69Å; R121-P132 HydrophobicContact CB-CB 4.14Å; R121-L135 HydrophobicContact CG-CD1 3.66Å |
| 122 | M | 93 | Very high | 83.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131 | 174.4 | -51.7 | -164.9 | -47.7 | 0 | 0 | 110.5 | Y76 M111 R112 L113 I120 P132 I133 H134 Y136 W156 | Y76-M122 HydrophobicContact CD2-CE 3.95Å; Y76-M122 HydrophobicContact CD2-SD 4.26Å; Y76-M122 HydrophobicContact CE2-CE 3.98Å; Y76-M122 HydrophobicContact CG-CE 4.5Å; M111-M122 HydrophobicContact SD-CB 4.23Å; M111-M122 HydrophobicContact SD-CE 3.98Å; M111-M122 HydrophobicContact SD-SD 4.47Å; R112-M122 CarbonylContact O-C 3.52Å; R112-M122 WeakPolarHBondContact O-CA 3.45Å; L113-M122 HydrophobicContact CD1-CG 3.71Å; L113-M122 HydrophobicContact CD1-SD 4.12Å; I120-M122 HydrophobicContact CG2-CG 4.24Å; M122-P132 CarbonylContact O-C 3.6Å; M122-I133 PolarHBondContact O-N 3.18Å; M122-H134 HydrophobicContact CB-CB 4.25Å; M122-H134 HydrophobicContact CE-CB 3.88Å; M122-H134 PolarHBondContact N-O 3.28Å; M122-H134 PolarHBondContact O-N 3.37Å; M122-H134 VanDerWaalsContact O-N 3.17Å; M122-Y136 HydrophobicContact CE-CE2 3.73Å; M122-Y136 HydrophobicContact CG-CE2 4.25Å; M122-Y136 HydrophobicContact SD-CE2 4.04Å; M122-W156 HydrophobicContact SD-CH2 3.73Å; M122-W156 HydrophobicContact SD-CZ2 3.96Å |
| 123 | S | 91.5 | Very high | 83.2 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.028 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.2 | 173.7 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | M111 R112 D125 | M111-S123 WeakPolarHBondContact CA-O 3.47Å; R112-S123 PolarHBondContact N-O 3.33Å; R112-S123 PolarHBondContact O-N 2.91Å; S123-D125 VanDerWaalsContact C-N 3.31Å; S123-D125 PolarHBondContact OG-O 2.87Å |
| 124 | A | 86.1 | Confident | 83 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -79.7 | -18.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I133 | A124-I133 HydrophobicContact CB-CD1 3.37Š|
| 125 | D | 79.2 | Confident | 83 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 23% | 0.225 | 37% | 0.367 | C | S | . | . | trans | -77.8 | 132 | 178.9 | -169.5 | 2.8 | 0 | 0 | 0 | 111.4 | S123 S127 K130 | S123-D125 VanDerWaalsContact C-N 3.31Å; S123-D125 PolarHBondContact OG-O 2.87Å; D125-S127 WeakPolarHBondContact OD1-CB 3.44Å; D125-S127 PolarHBondContact OD1-N 3.48Å; D125-K130 HydrophobicContact CB-CB 4.23Å; D125-K130 HydrophobicContact CB-CD 4.28Å; D125-K130 WeakPolarHBondContact OD2-CD 3.34Å; D125-K130 VanDerWaalsContact OD2-CG 3.27Å; D125-K130 WeakPolarHBondContact OD2-CG 3.05Å | ||
| 126 | K | 70.3 | Confident | 83.1 | Confident | 188 Ų | 188 | 71.8 Ų | 71.8 | 82% | 0.817 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -76 | -27.9 | 174.2 | -62.2 | -178.3 | -177.7 | 176.6 | 0 | 111.8 | G128 | K126-G128 VanDerWaalsContact C-N 3.33Å; K126-G128 PolarHBondContact O-N 2.9Å |
| 127 | S | 65.9 | Low | 83.3 | Confident | 68 Ų | 68 | 73.4 Ų | 73.4 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -74.4 | -20.2 | -174.4 | -166.5 | 0 | 0 | 0 | 0 | 113.3 | D125 K129 | D125-S127 WeakPolarHBondContact OD1-CB 3.44Å; D125-S127 PolarHBondContact OD1-N 3.48Å; S127-K129 PolarHBondContact O-N 3.48Å; S127-K129 VanDerWaalsContact O-N 3.08Å |
| 128 | G | 64.6 | Low | 83.6 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 68.5 | 0.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K126 | K126-G128 VanDerWaalsContact C-N 3.33Å; K126-G128 PolarHBondContact O-N 2.9Å |
| 129 | K | 65.2 | Low | 83.9 | Confident | 186 Ų | 186 | 70.7 Ų | 70.7 | 81% | 0.809 | 36% | 0.363 | S | S | * | . | trans | -79.1 | -23.2 | 179.7 | -61.9 | -176.7 | -175.8 | -174.8 | 0 | 112.9 | S127 | S127-K129 PolarHBondContact O-N 3.48Å; S127-K129 VanDerWaalsContact O-N 3.08Å | ||
| 130 | K | 72.1 | Confident | 84 | Confident | 154 Ų | 154 | 74.2 Ų | 74.2 | 67% | 0.67 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -88.3 | 146.2 | 179.2 | -66.6 | -179 | -174.4 | -179.2 | 0 | 111.2 | D125 | D125-K130 HydrophobicContact CB-CB 4.23Å; D125-K130 HydrophobicContact CB-CD 4.28Å; D125-K130 WeakPolarHBondContact OD2-CD 3.34Å; D125-K130 VanDerWaalsContact OD2-CG 3.27Å; D125-K130 WeakPolarHBondContact OD2-CG 3.05Å |
| 131 | K | 72.7 | Confident | 84 | Confident | 193 Ų | 193 | 75.3 Ų | 75.3 | 84% | 0.839 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 141.9 | 174.3 | -70 | -178.4 | 179.1 | 176.9 | 0 | 110.2 | I133 | K131-I133 PolarHBondContact O-N 3.45Š|
| 132 | P | 77.4 | Confident | 84.1 | Confident | 56 Ų | 56 | 74.5 Ų | 74.5 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 139.7 | 177.6 | 26.7 | -34.1 | 0 | 0 | 0 | 109.9 | R121 M122 | R121-P132 HydrophobicContact CB-CB 4.14Å; M122-P132 CarbonylContact O-C 3.6Å |
| 133 | I | 83.8 | Confident | 84.2 | Confident | 94 Ų | 94 | 77.7 Ų | 77.7 | 48% | 0.482 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -73.6 | -38 | -178 | -58.5 | 179.5 | 0 | 0 | 0 | 109.8 | M122 A124 K131 | M122-I133 PolarHBondContact O-N 3.18Å; A124-I133 HydrophobicContact CB-CD1 3.37Å; K131-I133 PolarHBondContact O-N 3.45Å |
| 134 | H | 90 | Very high | 84.3 | Confident | 73 Ų | 73 | 78.9 Ų | 78.9 | 34% | 0.338 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.1 | 178.9 | -56 | -61.6 | 0 | 0 | 0 | 110.7 | M122 Y136 | M122-H134 HydrophobicContact CB-CB 4.25Å; M122-H134 HydrophobicContact CE-CB 3.88Å; M122-H134 PolarHBondContact N-O 3.28Å; M122-H134 PolarHBondContact O-N 3.37Å; M122-H134 VanDerWaalsContact O-N 3.17Å; H134-Y136 HydrophobicContact CB-CE2 3.85Å |
| 135 | L | 93.1 | Very high | 84.8 | Confident | 93 Ų | 93 | 77.3 Ų | 77.3 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.1 | 175.1 | 176.2 | 67.2 | 0 | 0 | 0 | 108.7 | R121 | R121-L135 HydrophobicContact CG-CD1 3.66Å |
| 136 | Y | 95.1 | Very high | 85.6 | Confident | 10 Ų | 10 | 76.3 Ų | 76.3 | 4% | 0.039 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 105.9 | 173.4 | -54.4 | -82 | 0 | 0 | 0 | 109.2 | G119 I120 M122 H134 W156 Y158 H172 | G119-Y136 WeakPolarHBondContact CA-O 3.21Å; I120-Y136 HydrophobicContact CB-CD2 4.19Å; I120-Y136 HydrophobicContact CG2-CD2 4.2Å; I120-Y136 PolarHBondContact N-O 3.18Å; I120-Y136 PolarHBondContact O-N 2.97Å; M122-Y136 HydrophobicContact CE-CE2 3.73Å; M122-Y136 HydrophobicContact CG-CE2 4.25Å; M122-Y136 HydrophobicContact SD-CE2 4.04Å; H134-Y136 HydrophobicContact CB-CE2 3.85Å; Y136-W156 AromaticContact CD1-NE1 3.89Å; Y136-W156 AromaticContact CD2-CZ2 3.94Å; Y136-W156 HydrophobicContact CD2-CZ2 3.94Å; Y136-W156 AromaticContact CD2-NE1 3.86Å; Y136-W156 AromaticContact CE2-CZ2 3.61Å; Y136-W156 HydrophobicContact CE2-CZ2 3.61Å; Y136-W156 AromaticContact CG-NE1 3.75Å; Y136-Y158 AromaticContact CD1-CD1 3.85Å; Y136-Y158 HydrophobicContact CD1-CD1 3.85Å; Y136-Y158 AromaticContact CD1-CD2 3.66Å; Y136-Y158 HydrophobicContact CD1-CD2 3.66Å; Y136-Y158 HydrophobicContact CD1-CE1 4.03Å; Y136-Y158 AromaticContact CD1-CE2 3.88Å; Y136-Y158 HydrophobicContact CD1-CE2 3.88Å; Y136-Y158 AromaticContact CD1-CG 3.61Å; Y136-Y158 HydrophobicContact CD1-CG 3.61Å; Y136-Y158 HydrophobicContact CE1-CD1 4.33Å; Y136-Y158 HydrophobicContact CE1-CG 4.31Å; Y136-Y158 HydrophobicContact CG-CD2 4.21Å; Y136-Y158 HydrophobicContact CG-CE2 4.29Å; Y136-H172 AromaticContact CE1-CD2 3.9Å; Y136-H172 AromaticContact CE1-CE1 3.85Å; Y136-H172 AromaticContact CE1-NE2 3.58Å; Y136-H172 AromaticContact CZ-CE1 3.92Å; Y136-H172 AromaticContact CZ-ND1 4Å; Y136-H172 PolarHBondContact OH-CE1 2.94Å; Y136-H172 VanDerWaalsContact OH-CE1 3.28Å; Y136-H172 PolarHBondContact OH-ND1 3.24Å |
| 137 | S | 94.4 | Very high | 86.7 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 27% | 0.266 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 139.2 | 179.6 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | Q118 N139 R140 I141 | Q118-S137 WeakPolarHBondContact O-CA 3.32Å; S137-N139 WeakPolarHBondContact CB-OD1 3.37Å; S137-N139 PolarHBondContact O-N 2.91Å; S137-R140 PolarHBondContact O-N 3.39Å; S137-I141 PolarHBondContact O-N 3.47Å |
| 138 | L | 93.6 | Very high | 88 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 13% | 0.126 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -53.6 | -39.5 | 179.5 | -70.7 | 177.6 | 0 | 0 | 0 | 113 | S117 Q118 G119 R140 I141 L189 N192 A193 A196 | S117-L138 WeakPolarHBondContact O-CD1 3.27Å; Q118-L138 PolarHBondContact O-N 3Å; G119-L138 VanDerWaalsContact CA-CG 3.48Å; L138-R140 PolarHBondContact O-N 3.47Å; L138-R140 VanDerWaalsContact O-N 3.07Å; L138-I141 PolarHBondContact O-N 3.37Å; L138-L189 HydrophobicContact CD2-CD1 3.51Å; L138-L189 HydrophobicContact CD2-CG 4.14Å; L138-N192 HydrophobicContact CD1-CB 4.39Å; L138-A193 HydrophobicContact CD2-CB 4.3Å; L138-A196 HydrophobicContact CD1-CB 3.97Å |
| 139 | N | 92.9 | Very high | 89.3 | Confident | 113 Ų | 113 | 70.8 Ų | 70.8 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -62.5 | -17 | -178.2 | 66.6 | -10.9 | 0 | 0 | 0 | 113.9 | S137 R159 | S137-N139 WeakPolarHBondContact CB-OD1 3.37Å; S137-N139 PolarHBondContact O-N 2.91Å; N139-R159 PolarHBondContact O-NH2 3.21Å |
| 140 | R | 94.7 | Very high | 90.7 | Very high | 73 Ų | 73 | 64.8 Ų | 64.8 | 28% | 0.275 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -110.2 | -9.6 | -179 | -72.4 | 175.2 | -173 | -149.4 | 5 | 113.3 | S137 L138 Y158 R159 Q161 | S137-R140 PolarHBondContact O-N 3.39Å; L138-R140 PolarHBondContact O-N 3.47Å; L138-R140 VanDerWaalsContact O-N 3.07Å; R140-Y158 HydrophobicContact CB-CD2 3.92Å; R140-Y158 HydrophobicContact CB-CE1 4.44Å; R140-Y158 HydrophobicContact CB-CE2 3.34Å; R140-Y158 VanDerWaalsContact CD-OH 3.28Å; R140-Y158 WeakPolarHBondContact CD-OH 3.42Å; R140-Y158 HydrophobicContact CG-CE2 4.44Å; R140-R159 HydrophobicContact CB-CB 4.34Å; R140-R159 PolarHBondContact O-N 2.96Å; R140-Q161 VanDerWaalsContact CZ-OE1 3.29Å; R140-Q161 VanDerWaalsContact NH1-CD 3.29Å |
| 141 | I | 95.4 | Very high | 91.8 | Very high | 26 Ų | 26 | 60.2 Ų | 60.2 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122.9 | 172.5 | -62.9 | 169.3 | 0 | 0 | 0 | 107.6 | I120 S137 L138 C144 W156 I157 Y158 L189 | I120-I141 HydrophobicContact CD1-CD1 3.88Å; I120-I141 HydrophobicContact CG1-CD1 3.96Å; S137-I141 PolarHBondContact O-N 3.47Å; L138-I141 PolarHBondContact O-N 3.37Å; I141-C144 HydrophobicContact CG2-CB 4.5Å; I141-W156 HydrophobicContact CG2-CB 4.36Å; I141-I157 WeakPolarHBondContact CA-O 3.16Å; I141-Y158 HydrophobicContact CG1-CD2 3.74Å; I141-Y158 HydrophobicContact CG1-CE2 4.26Å; I141-L189 HydrophobicContact CD1-CD2 4.28Å; I141-L189 HydrophobicContact CG2-CD2 4.46Å |
| 142 | T | 94.7 | Very high | 92.9 | Very high | 40 Ų | 40 | 56.4 Ų | 56.4 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -33.1 | -179.4 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | A85 I157 R159 | A85-T142 HydrophobicContact CB-CG2 4.3Å; A85-T142 WeakPolarHBondContact O-CB 3.39Å; A85-T142 PolarHBondContact O-OG1 2.84Å; T142-I157 PolarHBondContact N-O 3.48Å; T142-I157 WeakPolarHBondContact OG1-CB 3.08Å; T142-I157 VanDerWaalsContact OG1-CG2 3.27Å; T142-I157 WeakPolarHBondContact OG1-CG2 3.4Å; T142-I157 PolarHBondContact OG1-O 3.36Å; T142-R159 HydrophobicContact CG2-CG 3.85Å |
| 143 | Y | 95.1 | Very high | 93.9 | Very high | 66 Ų | 66 | 53.8 Ų | 53.8 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 144.1 | -175.9 | -174.7 | -102.1 | 0 | 0 | 0 | 110 | C90 T91 A145 W156 I157 | C90-Y143 WeakPolarHBondContact SG-CD1 3.48Å; T91-Y143 HydrophobicContact CG2-CD1 3.53Å; T91-Y143 HydrophobicContact CG2-CE1 3.72Å; Y143-A145 HydrophobicContact CE1-CB 3.61Å; Y143-A145 WeakPolarHBondContact OH-CB 3.28Å; Y143-W156 CarbonylContact O-C 3.59Å; Y143-W156 WeakPolarHBondContact O-CA 3.49Å; Y143-W156 WeakPolarHBondContact O-CB 3.41Å; Y143-I157 HydrophobicContact CD1-CD1 4.46Å; Y143-I157 PolarHBondContact O-N 3.03Å |
| 144 | C | 94.9 | Very high | 94.5 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 127.9 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | I141 A155 W156 L189 | I141-C144 HydrophobicContact CG2-CB 4.5Å; C144-A155 WeakPolarHBondContact CA-O 3.34Å; C144-W156 HydrophobicContact CB-CB 3.93Å; C144-L189 HydrophobicContact CB-CD2 3.6Å; C144-L189 VanDerWaalsContact SG-CD2 3.54Å |
| 145 | A | 95.1 | Very high | 94.8 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 14% | 0.14 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 159 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y143 A155 | Y143-A145 HydrophobicContact CE1-CB 3.61Å; Y143-A145 WeakPolarHBondContact OH-CB 3.28Å; A145-A155 PolarHBondContact N-O 3.21Å; A145-A155 PolarHBondContact O-N 2.92Å; A145-A155 VanDerWaalsContact O-O 3.12Å |
| 146 | A | 95.9 | Very high | 95 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 17% | 0.174 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 140 | 162 | 0 | 0 | 0 | 0 | 0 | 109.2 | P148 I153 A182 Q183 | A146-P148 WeakPolarHBondContact O-CD 3.31Å; A146-I153 WeakPolarHBondContact CA-O 2.85Å; A146-A182 HydrophobicContact CB-CB 4.1Å; A146-Q183 HydrophobicContact CB-CG 3.97Å |
| 147 | D | 94.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.011 | 23% | 0.225 | C | C | . | . | trans | -69.3 | 126.8 | -179 | -176.7 | 57.3 | 0 | 0 | 0 | 110.7 | V95 C149 R150 P151 I153 | V95-D147 HydrophobicContact CG1-CB 4.14Å; D147-C149 VanDerWaalsContact C-N 3.33Å; D147-C149 PolarHBondContact O-N 3Å; D147-R150 HydrophobicContact CB-CB 4.48Å; D147-R150 CarbonylContact O-C 3.14Å; D147-R150 PolarHBondContact O-N 3.5Å; D147-R150 IonicContact OD1-NH2 2.62Å; D147-R150 WeakPolarHBondContact OD2-CB 3.4Å; D147-R150 IonicContact OD2-CZ 2.76Å; D147-R150 PolarHBondContact OD2-N 2.75Å; D147-R150 IonicContact OD2-NE 3.57Å; D147-R150 PolarHBondContact OD2-NE 2.86Å; D147-R150 IonicContact OD2-NH2 2.8Å; D147-R150 PolarHBondContact OD2-NH2 2.95Å; D147-P151 VanDerWaalsContact O-CA 3.31Å; D147-P151 WeakPolarHBondContact O-CA 3.5Å; D147-I153 HydrophobicContact CB-CB 4.32Å; D147-I153 PolarHBondContact N-O 3.37Å | ||
| 148 | P | 92.6 | Very high | 95.2 | Very high | 94 Ų | 94 | 40 Ų | 40 | 61% | 0.61 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -61.3 | -39.2 | -178.9 | -25.4 | 34.8 | 0 | 0 | 0 | 113.2 | A146 | A146-P148 WeakPolarHBondContact O-CD 3.31Š|
| 149 | C | 92.6 | Very high | 95.3 | Very high | 85 Ų | 85 | 43.3 Ų | 43.3 | 57% | 0.574 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -77.3 | -30.1 | -179 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | D147 | D147-C149 VanDerWaalsContact C-N 3.33Å; D147-C149 PolarHBondContact O-N 3Å |
| 150 | R | 94.3 | Very high | 95.4 | Very high | 60 Ų | 60 | 40.4 Ų | 40.4 | 23% | 0.226 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -130.8 | 82.8 | 179.8 | -67.4 | 151.3 | -66.1 | -104.4 | -3.3 | 109.5 | D147 K152 I153 | D147-R150 HydrophobicContact CB-CB 4.48Å; D147-R150 CarbonylContact O-C 3.14Å; D147-R150 PolarHBondContact O-N 3.5Å; D147-R150 IonicContact OD1-NH2 2.62Å; D147-R150 WeakPolarHBondContact OD2-CB 3.4Å; D147-R150 IonicContact OD2-CZ 2.76Å; D147-R150 PolarHBondContact OD2-N 2.75Å; D147-R150 IonicContact OD2-NE 3.57Å; D147-R150 PolarHBondContact OD2-NE 2.86Å; D147-R150 IonicContact OD2-NH2 2.8Å; D147-R150 PolarHBondContact OD2-NH2 2.95Å; R150-K152 PolarHBondContact O-N 3.45Å; R150-I153 HydrophobicContact CB-CB 4.43Å; R150-I153 HydrophobicContact CB-CD1 3.77Å; R150-I153 HydrophobicContact CB-CG1 4.04Å; R150-I153 HydrophobicContact CG-CD1 4.31Å; R150-I153 PolarHBondContact O-N 3.37Å |
| 151 | P | 94.7 | Very high | 95.2 | Very high | 57 Ų | 57 | 42 Ų | 42 | 37% | 0.37 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -11.3 | -167.5 | 27.1 | -37.1 | 0 | 0 | 0 | 114.6 | D147 I153 S179 | D147-P151 VanDerWaalsContact O-CA 3.31Å; D147-P151 WeakPolarHBondContact O-CA 3.5Å; P151-I153 VanDerWaalsContact C-N 3.34Å; P151-S179 VanDerWaalsContact O-CA 3.28Å; P151-S179 WeakPolarHBondContact O-CA 3.24Å; P151-S179 WeakPolarHBondContact O-CB 3.23Å |
| 152 | K | 96.6 | Very high | 94.9 | Very high | 113 Ų | 113 | 44 Ų | 44 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -12.1 | 172.7 | -66.2 | -179.2 | -179.2 | 174.3 | 0 | 113.4 | R150 L175 V176 | R150-K152 PolarHBondContact O-N 3.45Å; K152-L175 HydrophobicContact CB-CD1 3.8Å; K152-V176 PolarHBondContact O-N 2.97Å |
| 153 | I | 97.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.7 | 179.5 | -59.1 | 179.7 | 0 | 0 | 0 | 108.8 | L77 V95 W99 A146 D147 R150 P151 A173 V174 L175 | L77-I153 HydrophobicContact CD1-CD1 4.02Å; L77-I153 HydrophobicContact CD1-CG1 4.25Å; L77-I153 HydrophobicContact CD1-CG2 4.3Å; V95-I153 HydrophobicContact CG1-CB 4.48Å; V95-I153 HydrophobicContact CG1-CD1 4.02Å; V95-I153 HydrophobicContact CG1-CG2 3.92Å; W99-I153 HydrophobicContact CD2-CD1 4.04Å; W99-I153 HydrophobicContact CE3-CD1 3.69Å; W99-I153 HydrophobicContact CG-CD1 4.49Å; W99-I153 HydrophobicContact CZ3-CD1 4.16Å; A146-I153 WeakPolarHBondContact CA-O 2.85Å; D147-I153 HydrophobicContact CB-CB 4.32Å; D147-I153 PolarHBondContact N-O 3.37Å; R150-I153 HydrophobicContact CB-CB 4.43Å; R150-I153 HydrophobicContact CB-CD1 3.77Å; R150-I153 HydrophobicContact CB-CG1 4.04Å; R150-I153 HydrophobicContact CG-CD1 4.31Å; R150-I153 PolarHBondContact O-N 3.37Å; P151-I153 VanDerWaalsContact C-N 3.34Å; I153-A173 HydrophobicContact CG2-CB 3.99Å; I153-V174 WeakPolarHBondContact CA-O 3.46Å; I153-L175 HydrophobicContact CG1-CD1 4.08Å |
| 154 | L | 97.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129.4 | 168 | 173.3 | 73.3 | 0 | 0 | 0 | 108.4 | L113 A173 V174 V176 A182 I185 A186 | L113-L154 HydrophobicContact CD2-CD2 4.05Å; L154-A173 WeakPolarHBondContact O-CA 3.26Å; L154-V174 HydrophobicContact CB-CG2 3.74Å; L154-V174 HydrophobicContact CD2-CG2 3.98Å; L154-V174 HydrophobicContact CG-CG2 4.23Å; L154-V174 PolarHBondContact N-O 2.76Å; L154-V174 PolarHBondContact O-N 3.32Å; L154-V176 HydrophobicContact CB-CG2 4.28Å; L154-A182 HydrophobicContact CB-CB 4.19Å; L154-I185 HydrophobicContact CD2-CB 3.92Å; L154-I185 HydrophobicContact CD2-CD1 4.33Å; L154-I185 HydrophobicContact CD2-CG2 3.36Å; L154-A186 HydrophobicContact CD1-CB 3.83Å |
| 155 | A | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T91 V95 C144 A145 H172 | T91-A155 HydrophobicContact CG2-CB 4.24Å; V95-A155 HydrophobicContact CG2-CB 3.52Å; C144-A155 WeakPolarHBondContact CA-O 3.34Å; A145-A155 PolarHBondContact N-O 3.21Å; A145-A155 PolarHBondContact O-N 2.92Å; A145-A155 VanDerWaalsContact O-O 3.12Å; A155-H172 VanDerWaalsContact CA-O 3.24Å; A155-H172 WeakPolarHBondContact CA-O 3.49Å |
| 156 | W | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150.3 | 169.4 | 67.7 | 95.8 | 0 | 0 | 0 | 111.1 | I120 M122 Y136 I141 Y143 C144 C171 H172 V174 | I120-W156 HydrophobicContact CD1-CD2 3.76Å; I120-W156 HydrophobicContact CD1-CE3 4.18Å; I120-W156 HydrophobicContact CD1-CG 3.92Å; M122-W156 HydrophobicContact SD-CH2 3.73Å; M122-W156 HydrophobicContact SD-CZ2 3.96Å; Y136-W156 AromaticContact CD1-NE1 3.89Å; Y136-W156 AromaticContact CD2-CZ2 3.94Å; Y136-W156 HydrophobicContact CD2-CZ2 3.94Å; Y136-W156 AromaticContact CD2-NE1 3.86Å; Y136-W156 AromaticContact CE2-CZ2 3.61Å; Y136-W156 HydrophobicContact CE2-CZ2 3.61Å; Y136-W156 AromaticContact CG-NE1 3.75Å; I141-W156 HydrophobicContact CG2-CB 4.36Å; Y143-W156 CarbonylContact O-C 3.59Å; Y143-W156 WeakPolarHBondContact O-CA 3.49Å; Y143-W156 WeakPolarHBondContact O-CB 3.41Å; C144-W156 HydrophobicContact CB-CB 3.93Å; W156-C171 WeakPolarHBondContact O-CA 3.3Å; W156-H172 HydrophobicContact CD2-CB 3.87Å; W156-H172 HydrophobicContact CE3-CB 4.34Å; W156-H172 HydrophobicContact CG-CB 4.44Å; W156-H172 HydrophobicContact CH2-CB 3.97Å; W156-H172 HydrophobicContact CZ2-CB 3.44Å; W156-H172 VanDerWaalsContact CZ2-CB 3.44Å; W156-H172 HydrophobicContact CZ3-CB 4.38Å; W156-H172 PolarHBondContact N-O 2.96Å; W156-H172 AromaticContact NE1-CD2 3.81Å; W156-H172 AromaticContact NE1-CG 3.91Å; W156-H172 PolarHBondContact O-N 3.07Å; W156-V174 HydrophobicContact CH2-CG1 3.65Å; W156-V174 HydrophobicContact CZ3-CB 4.4Å; W156-V174 HydrophobicContact CZ3-CG1 3.72Å; W156-V174 HydrophobicContact CZ3-CG2 3.92Å |
| 157 | I | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.3 | 177.2 | -57 | 178.3 | 0 | 0 | 0 | 108.1 | T82 T84 C90 T91 I141 T142 Y143 L169 R170 C171 | T82-I157 HydrophobicContact CG2-CD1 4.29Å; T82-I157 HydrophobicContact CG2-CG1 4.44Å; T82-I157 HydrophobicContact CG2-CG2 3.9Å; T84-I157 WeakPolarHBondContact O-CD1 3.19Å; C90-I157 HydrophobicContact CB-CD1 4.32Å; T91-I157 HydrophobicContact CG2-CD1 3.83Å; T91-I157 HydrophobicContact CG2-CG1 3.84Å; I141-I157 WeakPolarHBondContact CA-O 3.16Å; T142-I157 PolarHBondContact N-O 3.48Å; T142-I157 WeakPolarHBondContact OG1-CB 3.08Å; T142-I157 VanDerWaalsContact OG1-CG2 3.27Å; T142-I157 WeakPolarHBondContact OG1-CG2 3.4Å; T142-I157 PolarHBondContact OG1-O 3.36Å; Y143-I157 HydrophobicContact CD1-CD1 4.46Å; Y143-I157 PolarHBondContact O-N 3.03Å; I157-L169 HydrophobicContact CG2-CB 4.26Å; I157-L169 HydrophobicContact CG2-CD2 4.39Å; I157-R170 WeakPolarHBondContact CA-O 3.42Å; I157-C171 HydrophobicContact CG1-CB 4.48Å |
| 158 | Y | 96.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 68 Ų | 68 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138 | -178.1 | -169.8 | -102 | 0 | 0 | 0 | 111.7 | Y136 R140 I141 H160 R170 | Y136-Y158 AromaticContact CD1-CD1 3.85Å; Y136-Y158 HydrophobicContact CD1-CD1 3.85Å; Y136-Y158 AromaticContact CD1-CD2 3.66Å; Y136-Y158 HydrophobicContact CD1-CD2 3.66Å; Y136-Y158 HydrophobicContact CD1-CE1 4.03Å; Y136-Y158 AromaticContact CD1-CE2 3.88Å; Y136-Y158 HydrophobicContact CD1-CE2 3.88Å; Y136-Y158 AromaticContact CD1-CG 3.61Å; Y136-Y158 HydrophobicContact CD1-CG 3.61Å; Y136-Y158 HydrophobicContact CE1-CD1 4.33Å; Y136-Y158 HydrophobicContact CE1-CG 4.31Å; Y136-Y158 HydrophobicContact CG-CD2 4.21Å; Y136-Y158 HydrophobicContact CG-CE2 4.29Å; R140-Y158 HydrophobicContact CB-CD2 3.92Å; R140-Y158 HydrophobicContact CB-CE1 4.44Å; R140-Y158 HydrophobicContact CB-CE2 3.34Å; R140-Y158 VanDerWaalsContact CD-OH 3.28Å; R140-Y158 WeakPolarHBondContact CD-OH 3.42Å; R140-Y158 HydrophobicContact CG-CE2 4.44Å; I141-Y158 HydrophobicContact CG1-CD2 3.74Å; I141-Y158 HydrophobicContact CG1-CE2 4.26Å; Y158-H160 AromaticContact CD1-CD2 3.58Å; Y158-H160 AromaticContact CD1-CE1 3.53Å; Y158-H160 AromaticContact CD1-CG 3.84Å; Y158-H160 AromaticContact CD1-ND1 3.8Å; Y158-H160 AromaticContact CD1-NE2 3.39Å; Y158-H160 WeakPolarHBondContact CD1-NE2 3.43Å; Y158-H160 AromaticContact CE1-CE1 3.92Å; Y158-H160 AromaticContact CE1-ND1 3.95Å; Y158-H160 PolarHBondContact O-N 2.67Å; Y158-R170 PolarHBondContact N-O 3.32Å; Y158-R170 PolarHBondContact O-N 3.39Å |
| 159 | R | 95.4 | Very high | 93.3 | Very high | 95 Ų | 95 | 65 Ų | 65 | 36% | 0.358 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 100.4 | 171.8 | -63.3 | -161.3 | -62 | -98.2 | 0.3 | 110.3 | N139 R140 T142 V167 L169 | N139-R159 PolarHBondContact O-NH2 3.21Å; R140-R159 HydrophobicContact CB-CB 4.34Å; R140-R159 PolarHBondContact O-N 2.96Å; T142-R159 HydrophobicContact CG2-CG 3.85Å; R159-V167 HydrophobicContact CB-CG1 3.77Å; R159-V167 HydrophobicContact CG-CG1 4.13Å; R159-L169 HydrophobicContact CG-CD2 3.62Å |
| 160 | H | 94.3 | Very high | 93.5 | Very high | 51 Ų | 51 | 64.9 Ų | 64.9 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 133 | 171 | -71.7 | -84.7 | 0 | 0 | 0 | 110.1 | Y158 V167 V168 R170 H172 | Y158-H160 AromaticContact CD1-CD2 3.58Å; Y158-H160 AromaticContact CD1-CE1 3.53Å; Y158-H160 AromaticContact CD1-CG 3.84Å; Y158-H160 AromaticContact CD1-ND1 3.8Å; Y158-H160 AromaticContact CD1-NE2 3.39Å; Y158-H160 WeakPolarHBondContact CD1-NE2 3.43Å; Y158-H160 AromaticContact CE1-CE1 3.92Å; Y158-H160 AromaticContact CE1-ND1 3.95Å; Y158-H160 PolarHBondContact O-N 2.67Å; H160-V167 WeakPolarHBondContact O-CA 3.24Å; H160-V168 PolarHBondContact N-O 2.84Å; H160-V168 PolarHBondContact O-N 3.4Å; H160-R170 WeakPolarHBondContact CD2-CB 3.49Å; H160-H172 AromaticContact CD2-NE2 3.99Å; H160-H172 AromaticContact CE1-NE2 3.72Å; H160-H172 AromaticContact NE2-CE1 3.72Å; H160-H172 AromaticContact NE2-NE2 2.91Å; H160-H172 PolarHBondContact NE2-NE2 3.4Å |
| 161 | Q | 92.4 | Very high | 93.6 | Very high | 108 Ų | 108 | 62 Ų | 62 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.6 | 167.4 | -72.5 | 174.4 | -31.5 | 0 | 0 | 107.5 | R140 | R140-Q161 VanDerWaalsContact CZ-OE1 3.29Å; R140-Q161 VanDerWaalsContact NH1-CD 3.29Å |
| 162 | V | 88.9 | Confident | 93.7 | Very high | 66 Ų | 66 | 59.5 Ų | 59.5 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | trans | -96.2 | -178.4 | 172.1 | -62.4 | 0 | 0 | 0 | 0 | 109.4 | M165 A166 V168 | V162-M165 PolarHBondContact O-N 3.07Å; V162-A166 HydrophobicContact CG2-CB 3.56Å; V162-A166 VanDerWaalsContact CG2-O 3.24Å; V162-A166 WeakPolarHBondContact CG2-O 3.19Å; V162-A166 PolarHBondContact N-O 3.01Å; V162-V168 HydrophobicContact CB-CG2 4.42Å; V162-V168 HydrophobicContact CG1-CB 4.02Å; V162-V168 HydrophobicContact CG1-CG2 3.58Å; V162-V168 HydrophobicContact CG2-CG2 3.91Å | ||
| 163 | K | 86.4 | Confident | 93.8 | Very high | 188 Ų | 188 | 54.1 Ų | 54.1 | 82% | 0.817 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -53.3 | 149.4 | 176.3 | -63.4 | -175 | 178.6 | -176.7 | 0 | 110.3 | M165 | K163-M165 VanDerWaalsContact C-N 3.32Å; K163-M165 PolarHBondContact O-N 3.19Å |
| 164 | N | 88.8 | Confident | 93.8 | Very high | 160 Ų | 160 | 54 Ų | 54 | 86% | 0.856 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | 62.4 | 31.8 | 179.9 | -50.5 | -21.3 | 0 | 0 | 0 | 114.5 | A166 | N164-A166 PolarHBondContact O-N 3.38Š|
| 165 | M | 84.5 | Confident | 93.8 | Very high | 156 Ų | 156 | 54.7 Ų | 54.7 | 77% | 0.768 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | 60.6 | 7 | 178 | -58.9 | -65 | 157.1 | 0 | 0 | 115.3 | V162 K163 | V162-M165 PolarHBondContact O-N 3.07Å; K163-M165 VanDerWaalsContact C-N 3.32Å; K163-M165 PolarHBondContact O-N 3.19Å |
| 166 | A | 87.7 | Confident | 93.8 | Very high | 50 Ų | 50 | 55 Ų | 55 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | trans | -65.5 | 150.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V162 N164 | V162-A166 HydrophobicContact CG2-CB 3.56Å; V162-A166 VanDerWaalsContact CG2-O 3.24Å; V162-A166 WeakPolarHBondContact CG2-O 3.19Å; V162-A166 PolarHBondContact N-O 3.01Å; N164-A166 PolarHBondContact O-N 3.38Å | ||
| 167 | V | 91.3 | Very high | 93.7 | Very high | 82 Ų | 82 | 58.5 Ų | 58.5 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.6 | -176.1 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | R159 H160 | R159-V167 HydrophobicContact CB-CG1 3.77Å; R159-V167 HydrophobicContact CG-CG1 4.13Å; H160-V167 WeakPolarHBondContact O-CA 3.24Å |
| 168 | V | 94.8 | Very high | 93.7 | Very high | 43 Ų | 43 | 64 Ų | 64 | 26% | 0.261 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.6 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | V81 H160 V162 | V81-V168 HydrophobicContact CG1-CG1 3.76Å; V81-V168 HydrophobicContact CG2-CG1 4.04Å; H160-V168 PolarHBondContact N-O 2.84Å; H160-V168 PolarHBondContact O-N 3.4Å; V162-V168 HydrophobicContact CB-CG2 4.42Å; V162-V168 HydrophobicContact CG1-CB 4.02Å; V162-V168 HydrophobicContact CG1-CG2 3.58Å; V162-V168 HydrophobicContact CG2-CG2 3.91Å |
| 169 | L | 95.6 | Very high | 93.6 | Very high | 32 Ų | 32 | 65.2 Ų | 65.2 | 17% | 0.168 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.3 | 174.1 | -58.4 | 173.7 | 0 | 0 | 0 | 109.6 | V81 T82 I83 A85 I157 R159 | V81-L169 WeakPolarHBondContact CA-O 3.41Å; T82-L169 HydrophobicContact CG2-CB 3.83Å; T82-L169 PolarHBondContact N-O 3.35Å; T82-L169 WeakPolarHBondContact O-CB 3.41Å; I83-L169 WeakPolarHBondContact O-CD1 3.34Å; A85-L169 HydrophobicContact CB-CD1 3.65Å; A85-L169 HydrophobicContact CB-CD2 4.31Å; I157-L169 HydrophobicContact CG2-CB 4.26Å; I157-L169 HydrophobicContact CG2-CD2 4.39Å; R159-L169 HydrophobicContact CG-CD2 3.62Å |
| 170 | R | 96.4 | Very high | 93.7 | Very high | 82 Ų | 82 | 66.9 Ų | 66.9 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.1 | 177.7 | -169 | 173.3 | -81.7 | -101.9 | 1 | 109.5 | S79 V80 I157 Y158 H160 | S79-R170 WeakPolarHBondContact OG-CD 3.47Å; S79-R170 PolarHBondContact OG-NH1 3.46Å; V80-R170 CarbonylContact O-C 3.56Å; V80-R170 WeakPolarHBondContact O-CA 3.41Å; V80-R170 WeakPolarHBondContact O-CG 3.43Å; I157-R170 WeakPolarHBondContact CA-O 3.42Å; Y158-R170 PolarHBondContact N-O 3.32Å; Y158-R170 PolarHBondContact O-N 3.39Å; H160-R170 WeakPolarHBondContact CD2-CB 3.49Å |
| 171 | C | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129.1 | 169.1 | -171.2 | 0 | 0 | 0 | 0 | 108.5 | S79 V80 T82 A94 W156 I157 | S79-C171 CarbonylContact C-O 3.51Å; S79-C171 WeakPolarHBondContact CA-O 3.36Å; S79-C171 WeakPolarHBondContact CB-O 3.39Å; V80-C171 HydrophobicContact CG1-CB 4.24Å; V80-C171 PolarHBondContact N-O 3.05Å; V80-C171 PolarHBondContact O-N 3.47Å; T82-C171 HydrophobicContact CG2-CB 4.35Å; A94-C171 HydrophobicContact CB-CB 3.64Å; W156-C171 WeakPolarHBondContact O-CA 3.3Å; I157-C171 HydrophobicContact CG1-CB 4.48Å |
| 172 | H | 97.2 | Very high | 94 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 2% | 0.023 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.4 | 171.3 | -67.5 | -86.4 | 0 | 0 | 0 | 108.5 | Y76 S79 Y136 A155 W156 H160 | Y76-H172 HydrophobicContact CE2-CB 4.42Å; Y76-H172 AromaticContact CZ-ND1 3.98Å; Y76-H172 PolarHBondContact OH-ND1 3.41Å; S79-H172 WeakPolarHBondContact CB-ND1 3.28Å; Y136-H172 AromaticContact CE1-CD2 3.9Å; Y136-H172 AromaticContact CE1-CE1 3.85Å; Y136-H172 AromaticContact CE1-NE2 3.58Å; Y136-H172 AromaticContact CZ-CE1 3.92Å; Y136-H172 AromaticContact CZ-ND1 4Å; Y136-H172 PolarHBondContact OH-CE1 2.94Å; Y136-H172 VanDerWaalsContact OH-CE1 3.28Å; Y136-H172 PolarHBondContact OH-ND1 3.24Å; A155-H172 VanDerWaalsContact CA-O 3.24Å; A155-H172 WeakPolarHBondContact CA-O 3.49Å; W156-H172 HydrophobicContact CD2-CB 3.87Å; W156-H172 HydrophobicContact CE3-CB 4.34Å; W156-H172 HydrophobicContact CG-CB 4.44Å; W156-H172 HydrophobicContact CH2-CB 3.97Å; W156-H172 HydrophobicContact CZ2-CB 3.44Å; W156-H172 VanDerWaalsContact CZ2-CB 3.44Å; W156-H172 HydrophobicContact CZ3-CB 4.38Å; W156-H172 PolarHBondContact N-O 2.96Å; W156-H172 AromaticContact NE1-CD2 3.81Å; W156-H172 AromaticContact NE1-CG 3.91Å; W156-H172 PolarHBondContact O-N 3.07Å; H160-H172 AromaticContact CD2-NE2 3.99Å; H160-H172 AromaticContact CE1-NE2 3.72Å; H160-H172 AromaticContact NE2-CE1 3.72Å; H160-H172 AromaticContact NE2-NE2 2.91Å; H160-H172 PolarHBondContact NE2-NE2 3.4Å |
| 173 | A | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L77 G78 I98 I153 L154 | L77-A173 HydrophobicContact CD1-CB 4.37Å; L77-A173 PolarHBondContact N-O 3.41Å; G78-A173 PolarHBondContact O-N 2.91Å; G78-A173 VanDerWaalsContact O-N 3.15Å; I98-A173 HydrophobicContact CD1-CB 3.86Å; I98-A173 HydrophobicContact CG2-CB 4.08Å; I153-A173 HydrophobicContact CG2-CB 3.99Å; L154-A173 WeakPolarHBondContact O-CA 3.26Å |
| 174 | V | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.6 | 174.2 | -61.9 | 0 | 0 | 0 | 0 | 110 | V74 R75 Y76 I153 L154 W156 V176 | V74-V174 HydrophobicContact CB-CB 4.16Å; V74-V174 HydrophobicContact CB-CG2 4.39Å; V74-V174 HydrophobicContact CG1-CG2 4.47Å; V74-V174 HydrophobicContact CG2-CB 4.15Å; V74-V174 HydrophobicContact CG2-CG1 4.13Å; R75-V174 CarbonylContact O-C 3.53Å; R75-V174 WeakPolarHBondContact O-CA 3.38Å; Y76-V174 HydrophobicContact CD2-CG1 3.82Å; I153-V174 WeakPolarHBondContact CA-O 3.46Å; L154-V174 HydrophobicContact CB-CG2 3.74Å; L154-V174 HydrophobicContact CD2-CG2 3.98Å; L154-V174 HydrophobicContact CG-CG2 4.23Å; L154-V174 PolarHBondContact N-O 2.76Å; L154-V174 PolarHBondContact O-N 3.32Å; W156-V174 HydrophobicContact CH2-CG1 3.65Å; W156-V174 HydrophobicContact CZ3-CB 4.4Å; W156-V174 HydrophobicContact CZ3-CG1 3.72Å; W156-V174 HydrophobicContact CZ3-CG2 3.92Å; V174-V176 HydrophobicContact CG2-CG2 4.39Å |
| 175 | L | 97.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 51.6 Ų | 51.6 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125.9 | 173 | 179.8 | 63.6 | 0 | 0 | 0 | 110 | R75 L77 W99 K152 I153 | R75-L175 HydrophobicContact CB-CB 4.22Å; R75-L175 PolarHBondContact N-O 2.93Å; R75-L175 VanDerWaalsContact NH2-CD2 3.31Å; R75-L175 PolarHBondContact O-N 2.8Å; L77-L175 HydrophobicContact CD1-CB 4.15Å; L77-L175 HydrophobicContact CD2-CB 3.99Å; L77-L175 HydrophobicContact CG-CB 4.11Å; W99-L175 HydrophobicContact CZ3-CD2 4.34Å; K152-L175 HydrophobicContact CB-CD1 3.8Å; I153-L175 HydrophobicContact CG1-CD1 4.08Å |
| 176 | V | 96.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | trans | -106.2 | 157.7 | 179.5 | -166.9 | 0 | 0 | 0 | 0 | 109.7 | V74 K152 L154 V174 K181 A182 I185 | V74-V176 HydrophobicContact CG1-CG2 4.12Å; K152-V176 PolarHBondContact O-N 2.97Å; L154-V176 HydrophobicContact CB-CG2 4.28Å; V174-V176 HydrophobicContact CG2-CG2 4.39Å; V176-K181 HydrophobicContact CG1-CB 3.58Å; V176-K181 HydrophobicContact CG1-CD 4.32Å; V176-A182 HydrophobicContact CB-CB 4.37Å; V176-A182 HydrophobicContact CG2-CB 4.11Å; V176-I185 HydrophobicContact CG1-CD1 4.4Å; V176-I185 HydrophobicContact CG2-CD1 4.27Å | ||
| 177 | S | 94.9 | Very high | 96 | Very high | 75 Ų | 75 | 47 Ų | 47 | 52% | 0.524 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -63.7 | -41.1 | 179.1 | 43 | 0 | 0 | 0 | 0 | 113.6 | ||
| 178 | K | 96.4 | Very high | 96.1 | Very high | 116 Ų | 116 | 44.1 Ų | 44.1 | 50% | 0.504 | 23% | 0.232 | S | C | . | . | trans | -126.4 | 148.1 | -178.4 | -62.6 | -172.2 | 176.1 | -170 | 0 | 110.4 | K181 A182 | K178-K181 HydrophobicContact CB-CB 4.39Å; K178-K181 HydrophobicContact CB-CD 4.32Å; K178-K181 HydrophobicContact CB-CG 4.14Å; K178-K181 PolarHBondContact O-N 2.99Å; K178-A182 PolarHBondContact O-N 2.99Å | ||
| 179 | S | 96.4 | Very high | 96.1 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 175 | 44.5 | 0 | 0 | 0 | 0 | 112.3 | P151 K181 A182 Q183 | P151-S179 VanDerWaalsContact O-CA 3.28Å; P151-S179 WeakPolarHBondContact O-CA 3.24Å; P151-S179 WeakPolarHBondContact O-CB 3.23Å; S179-K181 PolarHBondContact O-N 3.36Å; S179-A182 WeakPolarHBondContact O-CB 3.46Å; S179-A182 PolarHBondContact O-N 2.93Å; S179-Q183 PolarHBondContact O-N 3.29Å |
| 180 | E | 96.4 | Very high | 96.1 | Very high | 130 Ų | 130 | 48.5 Ų | 48.5 | 61% | 0.607 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -53.7 | -39.6 | 175.3 | -65.4 | 161.7 | -174 | 0 | 0 | 111.8 | Q183 A184 | E180-Q183 PolarHBondContact O-N 3.1Å; E180-A184 VanDerWaalsContact O-CB 3.28Å; E180-A184 WeakPolarHBondContact O-CB 3.4Å; E180-A184 PolarHBondContact O-N 3.28Å |
| 181 | K | 95.8 | Very high | 96 | Very high | 90 Ų | 90 | 49.9 Ų | 49.9 | 39% | 0.391 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 176.9 | -71.9 | -177.3 | 178.7 | -178.6 | 0 | 111.4 | V176 K178 S179 Q183 A184 I185 | V176-K181 HydrophobicContact CG1-CB 3.58Å; V176-K181 HydrophobicContact CG1-CD 4.32Å; K178-K181 HydrophobicContact CB-CB 4.39Å; K178-K181 HydrophobicContact CB-CD 4.32Å; K178-K181 HydrophobicContact CB-CG 4.14Å; K178-K181 PolarHBondContact O-N 2.99Å; S179-K181 PolarHBondContact O-N 3.36Å; K181-Q183 VanDerWaalsContact C-N 3.32Å; K181-Q183 PolarHBondContact O-N 3.44Å; K181-A184 PolarHBondContact O-N 2.82Å; K181-I185 WeakPolarHBondContact O-CB 3.39Å; K181-I185 VanDerWaalsContact O-CD1 3.3Å; K181-I185 WeakPolarHBondContact O-CD1 3.47Å; K181-I185 WeakPolarHBondContact O-CG1 3.09Å; K181-I185 PolarHBondContact O-N 2.85Å |
| 182 | A | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A146 L154 V176 K178 S179 I185 A186 | A146-A182 HydrophobicContact CB-CB 4.1Å; L154-A182 HydrophobicContact CB-CB 4.19Å; V176-A182 HydrophobicContact CB-CB 4.37Å; V176-A182 HydrophobicContact CG2-CB 4.11Å; K178-A182 PolarHBondContact O-N 2.99Å; S179-A182 WeakPolarHBondContact O-CB 3.46Å; S179-A182 PolarHBondContact O-N 2.93Å; A182-I185 PolarHBondContact O-N 3.49Å; A182-A186 PolarHBondContact O-N 2.93Å |
| 183 | Q | 96.3 | Very high | 95.6 | Very high | 113 Ų | 113 | 53.3 Ų | 53.3 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 176.1 | -67.6 | 177.8 | -0.2 | 0 | 0 | 112.2 | A146 S179 E180 K181 I185 A186 L187 | A146-Q183 HydrophobicContact CB-CG 3.97Å; S179-Q183 PolarHBondContact O-N 3.29Å; E180-Q183 PolarHBondContact O-N 3.1Å; K181-Q183 VanDerWaalsContact C-N 3.32Å; K181-Q183 PolarHBondContact O-N 3.44Å; Q183-I185 VanDerWaalsContact C-N 3.31Å; Q183-I185 PolarHBondContact O-N 2.83Å; Q183-A186 PolarHBondContact O-N 3.23Å; Q183-L187 WeakPolarHBondContact O-CB 3.48Å; Q183-L187 PolarHBondContact O-N 2.81Å |
| 184 | A | 95.6 | Very high | 95.4 | Very high | 47 Ų | 47 | 56.7 Ų | 56.7 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E180 K181 L187 S188 | E180-A184 VanDerWaalsContact O-CB 3.28Å; E180-A184 WeakPolarHBondContact O-CB 3.4Å; E180-A184 PolarHBondContact O-N 3.28Å; K181-A184 PolarHBondContact O-N 2.82Å; A184-L187 PolarHBondContact O-N 3.49Å; A184-S188 VanDerWaalsContact O-CB 3.26Å; A184-S188 WeakPolarHBondContact O-CB 3.28Å; A184-S188 PolarHBondContact O-N 2.97Å |
| 185 | I | 95.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 175.9 | -65.1 | 160 | 0 | 0 | 0 | 110.5 | Y72 L113 V115 L154 V176 K181 A182 Q183 L187 S188 L189 | Y72-I185 HydrophobicContact CD1-CD1 3.78Å; Y72-I185 HydrophobicContact CD1-CG1 3.87Å; Y72-I185 HydrophobicContact CD2-CD1 3.96Å; Y72-I185 HydrophobicContact CD2-CG1 3.73Å; Y72-I185 HydrophobicContact CE1-CD1 4.16Å; Y72-I185 HydrophobicContact CE1-CG1 3.73Å; Y72-I185 HydrophobicContact CE2-CD1 4.33Å; Y72-I185 HydrophobicContact CE2-CG1 3.6Å; Y72-I185 HydrophobicContact CG-CD1 3.66Å; Y72-I185 HydrophobicContact CG-CG1 3.85Å; L113-I185 HydrophobicContact CD2-CD1 4.31Å; L113-I185 HydrophobicContact CD2-CG2 4.09Å; V115-I185 HydrophobicContact CG2-CG2 3.69Å; L154-I185 HydrophobicContact CD2-CB 3.92Å; L154-I185 HydrophobicContact CD2-CD1 4.33Å; L154-I185 HydrophobicContact CD2-CG2 3.36Å; V176-I185 HydrophobicContact CG1-CD1 4.4Å; V176-I185 HydrophobicContact CG2-CD1 4.27Å; K181-I185 WeakPolarHBondContact O-CB 3.39Å; K181-I185 VanDerWaalsContact O-CD1 3.3Å; K181-I185 WeakPolarHBondContact O-CD1 3.47Å; K181-I185 WeakPolarHBondContact O-CG1 3.09Å; K181-I185 PolarHBondContact O-N 2.85Å; A182-I185 PolarHBondContact O-N 3.49Å; Q183-I185 VanDerWaalsContact C-N 3.31Å; Q183-I185 PolarHBondContact O-N 2.83Å; I185-L187 PolarHBondContact O-N 2.86Å; I185-S188 PolarHBondContact O-N 2.95Å; I185-L189 WeakPolarHBondContact O-CB 3.3Å; I185-L189 PolarHBondContact O-N 3Å |
| 186 | A | 95.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 61 Ų | 61 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L154 A182 Q183 L189 Y190 | L154-A186 HydrophobicContact CD1-CB 3.83Å; A182-A186 PolarHBondContact O-N 2.93Å; Q183-A186 PolarHBondContact O-N 3.23Å; A186-L189 PolarHBondContact O-N 2.62Å; A186-Y190 WeakPolarHBondContact O-CB 3.37Å; A186-Y190 PolarHBondContact O-N 3.37Å |
| 187 | L | 95.4 | Very high | 94.5 | Very high | 96 Ų | 96 | 66.5 Ų | 66.5 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 177.5 | -177.5 | 64 | 0 | 0 | 0 | 111.9 | Q183 A184 I185 L189 Y190 Q191 | Q183-L187 WeakPolarHBondContact O-CB 3.48Å; Q183-L187 PolarHBondContact O-N 2.81Å; A184-L187 PolarHBondContact O-N 3.49Å; I185-L187 PolarHBondContact O-N 2.86Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 2.95Å; L187-Y190 WeakPolarHBondContact O-CB 3.5Å; L187-Y190 PolarHBondContact O-N 3.09Å; L187-Q191 WeakPolarHBondContact O-CG 3.43Å; L187-Q191 PolarHBondContact O-N 2.97Å |
| 188 | S | 94.6 | Very high | 94.3 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | A184 I185 Y190 Q191 N192 | A184-S188 VanDerWaalsContact O-CB 3.26Å; A184-S188 WeakPolarHBondContact O-CB 3.28Å; A184-S188 PolarHBondContact O-N 2.97Å; I185-S188 PolarHBondContact O-N 2.95Å; S188-Y190 VanDerWaalsContact C-N 3.35Å; S188-Y190 PolarHBondContact O-N 2.88Å; S188-Q191 PolarHBondContact O-N 2.91Å; S188-N192 WeakPolarHBondContact O-CB 3.48Å; S188-N192 PolarHBondContact O-N 3.35Å; S188-N192 PolarHBondContact O-OD1 2.87Å |
| 189 | L | 94.8 | Very high | 94 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 176.3 | -169.2 | 73.6 | 0 | 0 | 0 | 111.7 | V115 I120 L138 I141 C144 I185 A186 L187 N192 A193 | V115-L189 HydrophobicContact CG1-CB 3.97Å; V115-L189 HydrophobicContact CG1-CD1 3.69Å; V115-L189 HydrophobicContact CG1-CG 4.47Å; I120-L189 HydrophobicContact CD1-CD1 4.33Å; I120-L189 HydrophobicContact CD1-CD2 3.79Å; I120-L189 HydrophobicContact CG1-CD1 3.69Å; I120-L189 HydrophobicContact CG1-CD2 4.1Å; L138-L189 HydrophobicContact CD2-CD1 3.51Å; L138-L189 HydrophobicContact CD2-CG 4.14Å; I141-L189 HydrophobicContact CD1-CD2 4.28Å; I141-L189 HydrophobicContact CG2-CD2 4.46Å; C144-L189 HydrophobicContact CB-CD2 3.6Å; C144-L189 VanDerWaalsContact SG-CD2 3.54Å; I185-L189 WeakPolarHBondContact O-CB 3.3Å; I185-L189 PolarHBondContact O-N 3Å; A186-L189 PolarHBondContact O-N 2.62Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 2.95Å; L189-N192 PolarHBondContact O-N 3.01Å; L189-A193 WeakPolarHBondContact O-CB 3.49Å; L189-A193 PolarHBondContact O-N 3.46Å |
| 190 | Y | 94.3 | Very high | 93.7 | Very high | 162 Ų | 162 | 68 Ų | 68 | 64% | 0.635 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | 176.6 | 177.5 | -98.6 | 0 | 0 | 0 | 112.3 | A186 L187 S188 A193 T194 | A186-Y190 WeakPolarHBondContact O-CB 3.37Å; A186-Y190 PolarHBondContact O-N 3.37Å; L187-Y190 WeakPolarHBondContact O-CB 3.5Å; L187-Y190 PolarHBondContact O-N 3.09Å; S188-Y190 VanDerWaalsContact C-N 3.35Å; S188-Y190 PolarHBondContact O-N 2.88Å; Y190-A193 PolarHBondContact O-N 2.85Å; Y190-T194 WeakPolarHBondContact O-CB 3.33Å; Y190-T194 PolarHBondContact O-N 3.34Å; Y190-T194 PolarHBondContact O-OG1 2.97Å |
| 191 | Q | 93.8 | Very high | 93.4 | Very high | 111 Ų | 111 | 65.8 Ų | 65.8 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 174.9 | -71.5 | 173.7 | -10.4 | 0 | 0 | 111.2 | L187 S188 A193 T194 S195 | L187-Q191 WeakPolarHBondContact O-CG 3.43Å; L187-Q191 PolarHBondContact O-N 2.97Å; S188-Q191 PolarHBondContact O-N 2.91Å; Q191-A193 PolarHBondContact O-N 2.82Å; Q191-T194 PolarHBondContact O-N 2.99Å; Q191-S195 WeakPolarHBondContact O-CB 3.12Å; Q191-S195 PolarHBondContact O-N 2.88Å |
| 192 | N | 92.8 | Very high | 93.2 | Very high | 40 Ų | 40 | 66.9 Ų | 66.9 | 21% | 0.214 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 177 | -71.8 | -10 | 0 | 0 | 0 | 111.8 | G116 L138 S188 L189 S195 A196 | G116-N192 VanDerWaalsContact C-ND2 3.32Å; G116-N192 WeakPolarHBondContact CA-ND2 3.43Å; G116-N192 PolarHBondContact O-ND2 2.93Å; L138-N192 HydrophobicContact CD1-CB 4.39Å; S188-N192 WeakPolarHBondContact O-CB 3.48Å; S188-N192 PolarHBondContact O-N 3.35Å; S188-N192 PolarHBondContact O-OD1 2.87Å; L189-N192 PolarHBondContact O-N 3.01Å; N192-S195 PolarHBondContact O-N 2.88Å; N192-A196 WeakPolarHBondContact O-CB 3.29Å; N192-A196 PolarHBondContact O-N 3.41Å |
| 193 | A | 92.9 | Very high | 92.8 | Very high | 37 Ų | 37 | 70.9 Ų | 70.9 | 31% | 0.306 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L138 L189 Y190 Q191 A196 F197 | L138-A193 HydrophobicContact CD2-CB 4.3Å; L189-A193 WeakPolarHBondContact O-CB 3.49Å; L189-A193 PolarHBondContact O-N 3.46Å; Y190-A193 PolarHBondContact O-N 2.85Å; Q191-A193 PolarHBondContact O-N 2.82Å; A193-A196 PolarHBondContact O-N 3.3Å; A193-F197 VanDerWaalsContact O-CB 3.23Å; A193-F197 WeakPolarHBondContact O-CB 3.38Å; A193-F197 PolarHBondContact O-N 3.21Å |
| 194 | T | 93.1 | Very high | 92.5 | Very high | 71 Ų | 71 | 70.3 Ų | 70.3 | 44% | 0.436 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | Y190 Q191 F197 S198 | Y190-T194 WeakPolarHBondContact O-CB 3.33Å; Y190-T194 PolarHBondContact O-N 3.34Å; Y190-T194 PolarHBondContact O-OG1 2.97Å; Q191-T194 PolarHBondContact O-N 2.99Å; T194-F197 PolarHBondContact O-N 3.01Å; T194-S198 WeakPolarHBondContact O-CB 3.37Å; T194-S198 PolarHBondContact O-N 3.34Å |
| 195 | S | 91.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 75.9 Ų | 75.9 | 49% | 0.49 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.5 | -51.8 | 176.6 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | Q191 N192 F197 S198 E199 | Q191-S195 WeakPolarHBondContact O-CB 3.12Å; Q191-S195 PolarHBondContact O-N 2.88Å; N192-S195 PolarHBondContact O-N 2.88Å; S195-F197 VanDerWaalsContact C-N 3.29Å; S195-F197 PolarHBondContact O-N 3.2Å; S195-S198 PolarHBondContact O-N 2.9Å; S195-S198 VanDerWaalsContact O-N 3.17Å; S195-S198 PolarHBondContact O-OG 2.68Å; S195-E199 PolarHBondContact O-N 2.94Å |
| 196 | A | 90.7 | Very high | 91.5 | Very high | 37 Ų | 37 | 80 Ų | 80 | 31% | 0.306 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L138 N192 A193 F200 | L138-A196 HydrophobicContact CD1-CB 3.97Å; N192-A196 WeakPolarHBondContact O-CB 3.29Å; N192-A196 PolarHBondContact O-N 3.41Å; A193-A196 PolarHBondContact O-N 3.3Å; A196-F200 WeakPolarHBondContact O-CB 3.44Å; A196-F200 PolarHBondContact O-N 3.41Å |
| 197 | F | 91.9 | Very high | 91 | Very high | 120 Ų | 120 | 81 Ų | 81 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 177.2 | -176.9 | -118 | 0 | 0 | 0 | 112.6 | A193 T194 S195 F200 K201 | A193-F197 VanDerWaalsContact O-CB 3.23Å; A193-F197 WeakPolarHBondContact O-CB 3.38Å; A193-F197 PolarHBondContact O-N 3.21Å; T194-F197 PolarHBondContact O-N 3.01Å; S195-F197 VanDerWaalsContact C-N 3.29Å; S195-F197 PolarHBondContact O-N 3.2Å; F197-F200 HydrophobicContact CD2-CD1 4.4Å; F197-F200 HydrophobicContact CE2-CD1 4.44Å; F197-F200 PolarHBondContact O-N 2.89Å; F197-K201 HydrophobicContact CD1-CD 4.28Å; F197-K201 HydrophobicContact CE1-CD 3.69Å; F197-K201 HydrophobicContact CE1-CG 4.28Å; F197-K201 HydrophobicContact CE2-CD 4.48Å; F197-K201 HydrophobicContact CE2-CG 4.26Å; F197-K201 HydrophobicContact CZ-CD 3.8Å; F197-K201 HydrophobicContact CZ-CG 4.07Å; F197-K201 WeakPolarHBondContact O-CG 3.38Å; F197-K201 PolarHBondContact O-N 2.89Å |
| 198 | S | 90.8 | Very high | 90.6 | Very high | 54 Ų | 54 | 79.2 Ų | 79.2 | 38% | 0.378 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 175.6 | 75.2 | 0 | 0 | 0 | 0 | 112 | T194 S195 K201 R202 | T194-S198 WeakPolarHBondContact O-CB 3.37Å; T194-S198 PolarHBondContact O-N 3.34Å; S195-S198 PolarHBondContact O-N 2.9Å; S195-S198 VanDerWaalsContact O-N 3.17Å; S195-S198 PolarHBondContact O-OG 2.68Å; S198-K201 PolarHBondContact O-N 3.3Å; S198-R202 PolarHBondContact O-N 3.24Å |
| 199 | E | 89.9 | Confident | 90 | Very high | 79 Ų | 79 | 84.7 Ų | 84.7 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 174.5 | -80.2 | -62.7 | 111.4 | 0 | 0 | 111.9 | S195 K201 R202 L203 | S195-E199 PolarHBondContact O-N 2.94Å; E199-K201 PolarHBondContact O-N 2.9Å; E199-R202 WeakPolarHBondContact O-CB 2.93Å; E199-R202 PolarHBondContact O-N 2.98Å; E199-R202 IonicContact OE1-CZ 2.79Å; E199-R202 IonicContact OE1-NE 3.89Å; E199-R202 PolarHBondContact OE1-NE 3.41Å; E199-R202 IonicContact OE1-NH2 3.12Å; E199-R202 IonicContact OE2-CZ 3.93Å; E199-R202 IonicContact OE2-NE 3.37Å; E199-R202 PolarHBondContact OE2-NE 3.01Å; E199-R202 IonicContact OE2-NH2 3.69Å; E199-R202 PolarHBondContact OE2-NH2 3.33Å; E199-L203 WeakPolarHBondContact O-CB 3.43Å; E199-L203 WeakPolarHBondContact O-CG 3.43Å; E199-L203 PolarHBondContact O-N 3.03Å |
| 200 | F | 90.4 | Very high | 89.3 | Confident | 130 Ų | 130 | 87.2 Ų | 87.2 | 57% | 0.57 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -57.3 | -47.9 | 173.8 | 174.4 | -102.9 | 0 | 0 | 0 | 111.9 | A196 F197 R202 L203 K204 | A196-F200 WeakPolarHBondContact O-CB 3.44Å; A196-F200 PolarHBondContact O-N 3.41Å; F197-F200 HydrophobicContact CD2-CD1 4.4Å; F197-F200 HydrophobicContact CE2-CD1 4.44Å; F197-F200 PolarHBondContact O-N 2.89Å; F200-R202 VanDerWaalsContact C-N 3.32Å; F200-R202 PolarHBondContact O-N 3.42Å; F200-L203 PolarHBondContact O-N 3.35Å; F200-K204 VanDerWaalsContact O-CB 3.29Å; F200-K204 WeakPolarHBondContact O-CB 3.48Å; F200-K204 PolarHBondContact O-N 3.15Å |
| 201 | K | 89.9 | Confident | 88.8 | Confident | 84 Ų | 84 | 84 Ų | 84 | 37% | 0.365 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 176.1 | -73.9 | -172.3 | -65.1 | -175 | 0 | 111.9 | F197 S198 E199 K204 R205 | F197-K201 HydrophobicContact CD1-CD 4.28Å; F197-K201 HydrophobicContact CE1-CD 3.69Å; F197-K201 HydrophobicContact CE1-CG 4.28Å; F197-K201 HydrophobicContact CE2-CD 4.48Å; F197-K201 HydrophobicContact CE2-CG 4.26Å; F197-K201 HydrophobicContact CZ-CD 3.8Å; F197-K201 HydrophobicContact CZ-CG 4.07Å; F197-K201 WeakPolarHBondContact O-CG 3.38Å; F197-K201 PolarHBondContact O-N 2.89Å; S198-K201 PolarHBondContact O-N 3.3Å; E199-K201 PolarHBondContact O-N 2.9Å; K201-K204 PolarHBondContact O-N 2.84Å; K201-R205 WeakPolarHBondContact O-CG 3.49Å; K201-R205 PolarHBondContact O-N 2.95Å |
| 202 | R | 90.1 | Very high | 88.3 | Confident | 112 Ų | 112 | 87.4 Ų | 87.4 | 42% | 0.423 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.3 | -49 | 177.6 | -172.5 | -173.1 | 65.6 | 69 | 1.6 | 111.2 | S198 E199 F200 K204 R205 Q206 | S198-R202 PolarHBondContact O-N 3.24Å; E199-R202 WeakPolarHBondContact O-CB 2.93Å; E199-R202 PolarHBondContact O-N 2.98Å; E199-R202 IonicContact OE1-CZ 2.79Å; E199-R202 IonicContact OE1-NE 3.89Å; E199-R202 PolarHBondContact OE1-NE 3.41Å; E199-R202 IonicContact OE1-NH2 3.12Å; E199-R202 IonicContact OE2-CZ 3.93Å; E199-R202 IonicContact OE2-NE 3.37Å; E199-R202 PolarHBondContact OE2-NE 3.01Å; E199-R202 IonicContact OE2-NH2 3.69Å; E199-R202 PolarHBondContact OE2-NH2 3.33Å; F200-R202 VanDerWaalsContact C-N 3.32Å; F200-R202 PolarHBondContact O-N 3.42Å; R202-K204 VanDerWaalsContact C-N 3.35Å; R202-R205 PolarHBondContact O-N 2.91Å; R202-Q206 PolarHBondContact O-N 3.29Å; R202-Q206 VanDerWaalsContact O-N 3.08Å |
| 203 | L | 88.5 | Confident | 87.8 | Confident | 85 Ų | 85 | 88.5 Ų | 88.5 | 45% | 0.445 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 178.3 | -70.7 | 173.5 | 0 | 0 | 0 | 111.7 | E199 F200 Q206 S207 | E199-L203 WeakPolarHBondContact O-CB 3.43Å; E199-L203 WeakPolarHBondContact O-CG 3.43Å; E199-L203 PolarHBondContact O-N 3.03Å; F200-L203 PolarHBondContact O-N 3.35Å; L203-Q206 PolarHBondContact O-N 3.2Å; L203-S207 PolarHBondContact O-N 2.79Å |
| 204 | K | 89.4 | Confident | 87.3 | Confident | 101 Ų | 101 | 88 Ų | 88 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 178.5 | -172.5 | 56.9 | 179.5 | 147.9 | 0 | 111.5 | F200 K201 R202 Q206 S207 D208 | F200-K204 VanDerWaalsContact O-CB 3.29Å; F200-K204 WeakPolarHBondContact O-CB 3.48Å; F200-K204 PolarHBondContact O-N 3.15Å; K201-K204 PolarHBondContact O-N 2.84Å; R202-K204 VanDerWaalsContact C-N 3.35Å; K204-Q206 VanDerWaalsContact C-N 3.3Å; K204-Q206 PolarHBondContact O-N 2.88Å; K204-S207 WeakPolarHBondContact O-CB 3.23Å; K204-S207 PolarHBondContact O-N 2.92Å; K204-S207 VanDerWaalsContact O-N 3.13Å; K204-D208 WeakPolarHBondContact CE-OD1 3.24Å; K204-D208 IonicContact NZ-OD1 3.91Å; K204-D208 PolarHBondContact NZ-OD1 2.85Å; K204-D208 IonicContact NZ-OD2 2.69Å; K204-D208 PolarHBondContact O-N 2.83Å |
| 205 | R | 89.1 | Confident | 86.9 | Confident | 163 Ų | 163 | 92.4 Ų | 92.4 | 62% | 0.615 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -57.6 | -41.8 | 174 | -70.3 | -179.8 | -163.8 | 120.4 | -7.1 | 112.7 | K201 R202 S207 D208 F209 | K201-R205 WeakPolarHBondContact O-CG 3.49Å; K201-R205 PolarHBondContact O-N 2.95Å; R202-R205 PolarHBondContact O-N 2.91Å; R205-S207 VanDerWaalsContact C-N 3.34Å; R205-D208 PolarHBondContact O-N 3.28Å; R205-F209 VanDerWaalsContact O-CB 3.32Å; R205-F209 WeakPolarHBondContact O-CB 3.35Å; R205-F209 PolarHBondContact O-N 3.05Å |
| 206 | Q | 82.9 | Confident | 86.6 | Confident | 87 Ų | 87 | 96.2 Ų | 96.2 | 41% | 0.407 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 178.1 | -166 | -174.6 | 20.5 | 0 | 0 | 111.8 | R202 L203 K204 R210 | R202-Q206 PolarHBondContact O-N 3.29Å; R202-Q206 VanDerWaalsContact O-N 3.08Å; L203-Q206 PolarHBondContact O-N 3.2Å; K204-Q206 VanDerWaalsContact C-N 3.3Å; K204-Q206 PolarHBondContact O-N 2.88Å; Q206-R210 WeakPolarHBondContact O-CG 3.32Å; Q206-R210 PolarHBondContact O-N 3.06Å; Q206-R210 VanDerWaalsContact O-N 3.11Å |
| 207 | S | 83.8 | Confident | 86.1 | Confident | 35 Ų | 35 | 99.5 Ų | 99.5 | 25% | 0.245 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 175.5 | -154.7 | 0 | 0 | 0 | 0 | 111.7 | L203 K204 R205 F209 R210 H211 | L203-S207 PolarHBondContact O-N 2.79Å; K204-S207 WeakPolarHBondContact O-CB 3.23Å; K204-S207 PolarHBondContact O-N 2.92Å; K204-S207 VanDerWaalsContact O-N 3.13Å; R205-S207 VanDerWaalsContact C-N 3.34Å; S207-F209 VanDerWaalsContact C-N 3.34Å; S207-F209 PolarHBondContact O-N 2.92Å; S207-R210 PolarHBondContact O-N 2.81Å; S207-H211 PolarHBondContact O-CD2 2.78Å; S207-H211 VanDerWaalsContact O-CD2 3.23Å; S207-H211 PolarHBondContact O-N 2.87Å |
| 208 | D | 88.9 | Confident | 85.4 | Confident | 59 Ų | 59 | 95.5 Ų | 95.5 | 32% | 0.316 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | -178.7 | -61 | -17.8 | 0 | 0 | 0 | 111.2 | K204 R205 H211 R212 | K204-D208 WeakPolarHBondContact CE-OD1 3.24Å; K204-D208 IonicContact NZ-OD1 3.91Å; K204-D208 PolarHBondContact NZ-OD1 2.85Å; K204-D208 IonicContact NZ-OD2 2.69Å; K204-D208 PolarHBondContact O-N 2.83Å; R205-D208 PolarHBondContact O-N 3.28Å; D208-H211 PolarHBondContact O-N 2.76Å; D208-R212 WeakPolarHBondContact O-CG 3.36Å; D208-R212 PolarHBondContact O-N 3.44Å |
| 209 | F | 81.6 | Confident | 84.3 | Confident | 136 Ų | 136 | 99.7 Ų | 99.7 | 60% | 0.596 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.3 | -46.6 | 171.7 | 179 | -94 | 0 | 0 | 0 | 111.8 | R205 S207 R212 Q213 | R205-F209 VanDerWaalsContact O-CB 3.32Å; R205-F209 WeakPolarHBondContact O-CB 3.35Å; R205-F209 PolarHBondContact O-N 3.05Å; S207-F209 VanDerWaalsContact C-N 3.34Å; S207-F209 PolarHBondContact O-N 2.92Å; F209-R212 PolarHBondContact O-N 3.46Å; F209-Q213 WeakPolarHBondContact O-CB 3.44Å; F209-Q213 PolarHBondContact O-N 3.27Å |
| 210 | R | 80.3 | Confident | 83.1 | Confident | 58 Ų | 58 | 105.4 Ų | 105.4 | 22% | 0.219 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 176.6 | -76.5 | -173.3 | -64.6 | -114.1 | -2.6 | 112.2 | Q206 S207 R212 Q213 Q214 | Q206-R210 WeakPolarHBondContact O-CG 3.32Å; Q206-R210 PolarHBondContact O-N 3.06Å; Q206-R210 VanDerWaalsContact O-N 3.11Å; S207-R210 PolarHBondContact O-N 2.81Å; R210-R212 PolarHBondContact O-N 2.88Å; R210-Q213 PolarHBondContact O-N 3.05Å; R210-Q213 VanDerWaalsContact O-N 3.16Å; R210-Q214 WeakPolarHBondContact O-CG 3.43Å; R210-Q214 PolarHBondContact O-N 2.86Å |
| 211 | H | 82.6 | Confident | 81.9 | Confident | 94 Ų | 94 | 102.2 Ų | 102.2 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 177.5 | -80.3 | -57.4 | 0 | 0 | 0 | 112.2 | S207 D208 Q213 Q214 Q215 | S207-H211 PolarHBondContact O-CD2 2.78Å; S207-H211 VanDerWaalsContact O-CD2 3.23Å; S207-H211 PolarHBondContact O-N 2.87Å; D208-H211 PolarHBondContact O-N 2.76Å; H211-Q213 VanDerWaalsContact C-N 3.32Å; H211-Q213 PolarHBondContact O-N 2.85Å; H211-Q214 PolarHBondContact O-N 3.29Å; H211-Q215 WeakPolarHBondContact O-CG 3.4Å; H211-Q215 PolarHBondContact O-N 3.23Å |
| 212 | R | 84.4 | Confident | 80.8 | Confident | 183 Ų | 183 | 98.6 Ų | 98.6 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.3 | -41 | 174.3 | -72.1 | -177.8 | -175.3 | 179.8 | 0.2 | 112 | D208 F209 R210 Q214 Q215 L216 | D208-R212 WeakPolarHBondContact O-CG 3.36Å; D208-R212 PolarHBondContact O-N 3.44Å; F209-R212 PolarHBondContact O-N 3.46Å; R210-R212 PolarHBondContact O-N 2.88Å; R212-Q214 VanDerWaalsContact C-N 3.35Å; R212-Q215 PolarHBondContact O-N 3.48Å; R212-L216 WeakPolarHBondContact O-CG 3.46Å; R212-L216 PolarHBondContact O-N 3.03Å |
| 213 | Q | 81 | Confident | 79.6 | Confident | 64 Ų | 64 | 95 Ų | 95 | 30% | 0.299 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 179.8 | -156.8 | -168.1 | -37.8 | 0 | 0 | 111.8 | F209 R210 H211 L216 L217 V222 | F209-Q213 WeakPolarHBondContact O-CB 3.44Å; F209-Q213 PolarHBondContact O-N 3.27Å; R210-Q213 PolarHBondContact O-N 3.05Å; R210-Q213 VanDerWaalsContact O-N 3.16Å; H211-Q213 VanDerWaalsContact C-N 3.32Å; H211-Q213 PolarHBondContact O-N 2.85Å; Q213-L216 PolarHBondContact O-N 3.16Å; Q213-L217 HydrophobicContact CG-CD1 3.88Å; Q213-L217 WeakPolarHBondContact O-CB 3.5Å; Q213-L217 PolarHBondContact O-N 3.17Å; Q213-V222 HydrophobicContact CB-CG1 4.16Å; Q213-V222 HydrophobicContact CB-CG2 4.09Å; Q213-V222 HydrophobicContact CG-CG1 4.28Å; Q213-V222 HydrophobicContact CG-CG2 3.65Å; Q213-V222 VanDerWaalsContact NE2-CG2 3.3Å |
| 214 | Q | 83 | Confident | 78.4 | Confident | 26 Ų | 26 | 96.3 Ų | 96.3 | 12% | 0.121 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 172.8 | -76.3 | 178.8 | -29.4 | 0 | 0 | 112.5 | R210 H211 R212 L216 G218 V222 | R210-Q214 WeakPolarHBondContact O-CG 3.43Å; R210-Q214 PolarHBondContact O-N 2.86Å; H211-Q214 PolarHBondContact O-N 3.29Å; R212-Q214 VanDerWaalsContact C-N 3.35Å; Q214-L216 VanDerWaalsContact C-N 3.28Å; Q214-L216 PolarHBondContact O-N 3.18Å; Q214-G218 CarbonylContact O-C 3.44Å; Q214-G218 VanDerWaalsContact O-CA 3.25Å; Q214-G218 WeakPolarHBondContact O-CA 3.47Å; Q214-G218 PolarHBondContact O-N 3.24Å; Q214-V222 HydrophobicContact CG-CB 3.76Å; Q214-V222 HydrophobicContact CG-CG1 4.13Å; Q214-V222 PolarHBondContact NE2-O 2.99Å |
| 215 | Q | 83.6 | Confident | 77 | Confident | 164 Ų | 164 | 95.8 Ų | 95.8 | 77% | 0.766 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.7 | -32.7 | 175.8 | -73.8 | 176 | -12.8 | 0 | 0 | 112.7 | H211 R212 | H211-Q215 WeakPolarHBondContact O-CG 3.4Å; H211-Q215 PolarHBondContact O-N 3.23Å; R212-Q215 PolarHBondContact O-N 3.48Å |
| 216 | L | 85.6 | Confident | 75.7 | Confident | 149 Ų | 149 | 91 Ų | 91 | 78% | 0.78 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -86.7 | -39.4 | -178.3 | -66.7 | 173.8 | 0 | 0 | 0 | 113.7 | R212 Q213 Q214 | R212-L216 WeakPolarHBondContact O-CG 3.46Å; R212-L216 PolarHBondContact O-N 3.03Å; Q213-L216 PolarHBondContact O-N 3.16Å; Q214-L216 VanDerWaalsContact C-N 3.28Å; Q214-L216 PolarHBondContact O-N 3.18Å |
| 217 | L | 81.6 | Confident | 74.7 | Confident | 107 Ų | 107 | 91.9 Ų | 91.9 | 56% | 0.56 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -107.7 | -4.1 | -171.1 | -63.3 | 175.6 | 0 | 0 | 0 | 113.8 | Q213 A221 V222 | Q213-L217 HydrophobicContact CG-CD1 3.88Å; Q213-L217 WeakPolarHBondContact O-CB 3.5Å; Q213-L217 PolarHBondContact O-N 3.17Å; L217-A221 HydrophobicContact CB-CB 3.84Å; L217-A221 VanDerWaalsContact O-CB 3.31Å; L217-A221 WeakPolarHBondContact O-CB 3.49Å; L217-V222 HydrophobicContact CB-CG2 4.1Å; L217-V222 HydrophobicContact CD1-CG2 4.16Å |
| 218 | G | 75.9 | Confident | 73.6 | Confident | 36 Ų | 36 | 99.1 Ų | 99.1 | 37% | 0.371 | 49% | 0.488 | S | S | . | . | trans | 83.1 | 158.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q214 E220 A221 | Q214-G218 CarbonylContact O-C 3.44Å; Q214-G218 VanDerWaalsContact O-CA 3.25Å; Q214-G218 WeakPolarHBondContact O-CA 3.47Å; Q214-G218 PolarHBondContact O-N 3.24Å; G218-E220 VanDerWaalsContact C-N 3.3Å; G218-E220 PolarHBondContact O-N 3.14Å; G218-A221 PolarHBondContact O-N 3.25Å | ||
| 219 | E | 67.1 | Low | 72.1 | Confident | 142 Ų | 142 | 104.4 Ų | 104.4 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -30.6 | -175.3 | -164.2 | 168.8 | -173.6 | 0 | 0 | 112.7 | ||
| 220 | E | 64.7 | Low | 71 | Confident | 198 Ų | 198 | 102.3 Ų | 102.3 | 93% | 0.925 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -31.8 | 178.7 | -66.4 | -140.2 | 151.4 | 0 | 0 | 113.7 | G218 | G218-E220 VanDerWaalsContact C-N 3.3Å; G218-E220 PolarHBondContact O-N 3.14Å |
| 221 | A | 66.8 | Low | 70 | Confident | 63 Ų | 63 | 105.8 Ų | 105.8 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -22.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | L217 G218 | L217-A221 HydrophobicContact CB-CB 3.84Å; L217-A221 VanDerWaalsContact O-CB 3.31Å; L217-A221 WeakPolarHBondContact O-CB 3.49Å; G218-A221 PolarHBondContact O-N 3.25Å |
| 222 | V | 67 | Low | 68.6 | Low | 8 Ų | 8 | 107.6 Ų | 107.6 | 5% | 0.048 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -127.9 | 88.7 | -174.4 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | Q213 Q214 L217 | Q213-V222 HydrophobicContact CB-CG1 4.16Å; Q213-V222 HydrophobicContact CB-CG2 4.09Å; Q213-V222 HydrophobicContact CG-CG1 4.28Å; Q213-V222 HydrophobicContact CG-CG2 3.65Å; Q213-V222 VanDerWaalsContact NE2-CG2 3.3Å; Q214-V222 HydrophobicContact CG-CB 3.76Å; Q214-V222 HydrophobicContact CG-CG1 4.13Å; Q214-V222 PolarHBondContact NE2-O 2.99Å; L217-V222 HydrophobicContact CB-CG2 4.1Å; L217-V222 HydrophobicContact CD1-CG2 4.16Å |
| 223 | P | 64.6 | Low | 67 | Low | 38 Ų | 38 | 101.5 Ų | 101.5 | 25% | 0.247 | 53% | 0.527 | C | S | . | . | trans | -64.4 | 143.9 | -178.9 | 19.7 | -28.7 | 0 | 0 | 0 | 112.8 | M225 L227 L230 | P223-M225 PolarHBondContact O-N 3.12Å; P223-L227 HydrophobicContact CG-CD2 4.02Å; P223-L227 HydrophobicContact CG-CG 3.9Å; P223-L230 HydrophobicContact CB-CD1 3.14Å; P223-L230 HydrophobicContact CG-CD1 3.8Å | ||
| 224 | L | 62.9 | Low | 65.6 | Low | 112 Ų | 112 | 106.6 Ų | 106.6 | 59% | 0.586 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -63.8 | -21.6 | 176.7 | -68.8 | 173 | 0 | 0 | 0 | 113.3 | ||
| 225 | M | 59.3 | Low | 63.8 | Low | 89 Ų | 89 | 109.1 Ų | 109.1 | 44% | 0.438 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -113.2 | 151.2 | 176.6 | -60.8 | -157.6 | 85.5 | 0 | 0 | 111.4 | P223 L227 L230 | P223-M225 PolarHBondContact O-N 3.12Å; M225-L227 PolarHBondContact O-N 3.1Å; M225-L230 HydrophobicContact CB-CD1 4.49Å; M225-L230 HydrophobicContact CB-CD2 4.33Å; M225-L230 HydrophobicContact CB-CG 4.23Å |
| 226 | P | 63.3 | Low | 62 | Low | 62 Ų | 62 | 109.8 Ų | 109.8 | 40% | 0.403 | 57% | 0.574 | S | S | . | * | trans | -52 | 131.4 | 173.7 | -24.2 | 33.1 | 0 | 0 | 0 | 110.5 | R228 R229 | P226-R228 HydrophobicContact CB-CG 4.05Å; P226-R228 PolarHBondContact O-N 2.84Å; P226-R229 WeakPolarHBondContact O-CB 3.37Å; P226-R229 PolarHBondContact O-N 3.4Å | ||
| 227 | L | 60.9 | Low | 60 | Low | 106 Ų | 106 | 112.6 Ų | 112.6 | 56% | 0.555 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -46.8 | -38 | -178.8 | -83.7 | 151.2 | 0 | 0 | 0 | 112.6 | P223 M225 R229 L230 L231 | P223-L227 HydrophobicContact CG-CD2 4.02Å; P223-L227 HydrophobicContact CG-CG 3.9Å; M225-L227 PolarHBondContact O-N 3.1Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 3.32Å; L227-L230 CarbonylContact O-C 3.57Å; L227-L230 PolarHBondContact O-N 2.78Å; L227-L231 HydrophobicContact CB-CD1 3.94Å; L227-L231 HydrophobicContact CD2-CD1 3.98Å; L227-L231 HydrophobicContact CD2-CG 4.39Å; L227-L231 VanDerWaalsContact O-CB 3.26Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 VanDerWaalsContact O-CG 3.29Å; L227-L231 WeakPolarHBondContact O-CG 3.36Å; L227-L231 PolarHBondContact O-N 2.86Å |
| 228 | R | 61.2 | Low | 58.3 | Low | 187 Ų | 187 | 117.2 Ų | 117.2 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57 | -29.9 | 174.3 | 67.6 | 177.8 | -177.4 | 167.1 | 1.3 | 115.3 | P226 N232 | P226-R228 HydrophobicContact CB-CG 4.05Å; P226-R228 PolarHBondContact O-N 2.84Å; R228-N232 WeakPolarHBondContact O-CA 3.42Å; R228-N232 WeakPolarHBondContact O-CB 3.49Å; R228-N232 PolarHBondContact O-N 2.78Å |
| 229 | R | 57.7 | Low | 56.6 | Low | 170 Ų | 170 | 120.5 Ų | 120.5 | 64% | 0.642 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -81.3 | -24.4 | 176 | -78.6 | -168.9 | 166.8 | -175.8 | -4 | 112.4 | P226 L227 | P226-R229 WeakPolarHBondContact O-CB 3.37Å; P226-R229 PolarHBondContact O-N 3.4Å; L227-R229 VanDerWaalsContact C-N 3.26Å; L227-R229 PolarHBondContact O-N 3.32Å |
| 230 | L | 58.3 | Low | 55.8 | Low | 92 Ų | 92 | 119.4 Ų | 119.4 | 48% | 0.482 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -85.6 | -40 | 175.6 | -63.6 | 174 | 0 | 0 | 0 | 111.4 | P223 M225 L227 | P223-L230 HydrophobicContact CB-CD1 3.14Å; P223-L230 HydrophobicContact CG-CD1 3.8Å; M225-L230 HydrophobicContact CB-CD1 4.49Å; M225-L230 HydrophobicContact CB-CD2 4.33Å; M225-L230 HydrophobicContact CB-CG 4.23Å; L227-L230 CarbonylContact O-C 3.57Å; L227-L230 PolarHBondContact O-N 2.78Å |
| 231 | L | 59.3 | Low | 55.1 | Low | 131 Ų | 131 | 114.1 Ų | 114.1 | 69% | 0.686 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -84 | -31.9 | -178.3 | -63.4 | 170.6 | 0 | 0 | 0 | 112.4 | L227 G233 | L227-L231 HydrophobicContact CB-CD1 3.94Å; L227-L231 HydrophobicContact CD2-CD1 3.98Å; L227-L231 HydrophobicContact CD2-CG 4.39Å; L227-L231 VanDerWaalsContact O-CB 3.26Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 VanDerWaalsContact O-CG 3.29Å; L227-L231 WeakPolarHBondContact O-CG 3.36Å; L227-L231 PolarHBondContact O-N 2.86Å; L231-G233 PolarHBondContact O-N 3.45Å |
| 232 | N | 52.4 | Low | 53.9 | Low | 133 Ų | 133 | 119.9 Ų | 119.9 | 71% | 0.711 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 41.9 | 170 | -63.3 | 23.6 | 0 | 0 | 0 | 111.7 | R228 Q234 | R228-N232 WeakPolarHBondContact O-CA 3.42Å; R228-N232 WeakPolarHBondContact O-CB 3.49Å; R228-N232 PolarHBondContact O-N 2.78Å; N232-Q234 PolarHBondContact O-N 3.45Å |
| 233 | G | 50.3 | Low | 52.9 | Low | 54 Ų | 54 | 126.2 Ų | 126.2 | 56% | 0.557 | 65% | 0.645 | S | S | * | * | trans | -75.3 | 30 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L231 C235 | L231-G233 PolarHBondContact O-N 3.45Å; G233-C235 PolarHBondContact O-N 3.21Å | ||
| 234 | Q | 52.4 | Low | 52 | Low | 171 Ų | 171 | 131 Ų | 131 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | trans | -77.4 | 77.1 | 161.5 | -98.2 | -177.6 | -23.1 | 0 | 0 | 108.4 | N232 | N232-Q234 PolarHBondContact O-N 3.45Š| ||
| 235 | C | 44.3 | Very low | 51.6 | Low | 80 Ų | 80 | 127.9 Ų | 127.9 | 54% | 0.541 | 67% | 0.672 | S | S | . | * | trans | -86.6 | 107.5 | 162.9 | -169.9 | 0 | 0 | 0 | 0 | 107.1 | G233 Y237 R238 | G233-C235 PolarHBondContact O-N 3.21Å; C235-Y237 PolarHBondContact O-N 3.34Å; C235-R238 PolarHBondContact O-N 3.3Å; C235-R238 VanDerWaalsContact O-N 3.09Å | ||
| 236 | H | 46.3 | Very low | 51.3 | Low | 178 Ų | 178 | 130.7 Ų | 130.7 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 3.9 | 176.2 | -70.2 | -79.7 | 0 | 0 | 0 | 114.2 | ||
| 237 | Y | 44 | Very low | 50.2 | Low | 207 Ų | 207 | 133.9 Ų | 133.9 | 81% | 0.812 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -0.7 | 175.2 | -148 | -94.3 | 0 | 0 | 0 | 113.2 | C235 P239 | C235-Y237 PolarHBondContact O-N 3.34Å; Y237-P239 WeakPolarHBondContact O-CD 3.37Å |
| 238 | R | 45.9 | Very low | 49.5 | Very low | 204 Ų | 204 | 135.7 Ų | 135.7 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -91.4 | 113.7 | 173.9 | -161.2 | 175.7 | -149.2 | 160.3 | 4.5 | 107.9 | C235 | C235-R238 PolarHBondContact O-N 3.3Å; C235-R238 VanDerWaalsContact O-N 3.09Å |
| 239 | P | 39.4 | Very low | 48.7 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 137.2 | 168 | -15.5 | 28.6 | 0 | 0 | 0 | 107.6 | Y237 A241 | Y237-P239 WeakPolarHBondContact O-CD 3.37Å; P239-A241 PolarHBondContact O-N 3.49Å |
| 240 | P | 50.2 | Low | 47.9 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 137.3 | 170.8 | -21.9 | 31.8 | 0 | 0 | 0 | 108.6 | E242 | P240-E242 PolarHBondContact O-N 3.02Š|
| 241 | A | 50 | Low | 47 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 118.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | P239 N243 | P239-A241 PolarHBondContact O-N 3.49Å; A241-N243 VanDerWaalsContact C-N 3.35Å; A241-N243 PolarHBondContact O-N 3.39Å |
| 242 | E | 41.4 | Very low | 46.2 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -61.2 | 103.3 | 169.8 | -66.7 | -166.9 | 167.2 | 0 | 0 | 106.5 | P240 P244 | P240-E242 PolarHBondContact O-N 3.02Å; E242-P244 VanDerWaalsContact O-CD 3.23Å; E242-P244 WeakPolarHBondContact O-CD 3.27Å | ||
| 243 | N | 46.3 | Very low | 45.6 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -62.2 | 115.5 | 161.9 | -78.6 | -37.8 | 0 | 0 | 0 | 105.8 | A241 G245 | A241-N243 VanDerWaalsContact C-N 3.35Å; A241-N243 PolarHBondContact O-N 3.39Å; N243-G245 PolarHBondContact O-N 2.7Å | ||
| 244 | P | 47.2 | Very low | 45.6 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -78.7 | 77.2 | 175.8 | 33 | -29.3 | 0 | 0 | 0 | 107.1 | E242 | E242-P244 VanDerWaalsContact O-CD 3.23Å; E242-P244 WeakPolarHBondContact O-CD 3.27Å |
| 245 | G | 53.3 | Low | 45 | Very low | 48 Ų | 48 | 145.1 Ų | 145.1 | 50% | 0.495 | 79% | 0.789 | S | S | . | * | S | Bend | trans | -173.7 | 102.9 | -177 | 0 | 0 | 0 | 0 | 0 | 108.1 | N243 | N243-G245 PolarHBondContact O-N 2.7Š|
| 246 | T | 53 | Low | 44.7 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 90.5 | 52.3 | 176.9 | -20.4 | 0 | 0 | 0 | 0 | 116.2 | ||
| 247 | T | 39.5 | Very low | 44.2 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -136.2 | 118.9 | 147.9 | 56.5 | 0 | 0 | 0 | 0 | 109 | R249 | T247-R249 PolarHBondContact O-N 2.93Š| ||
| 248 | T | 47.5 | Very low | 43.7 | Very low | 143 Ų | 143 | 147 Ų | 147 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -44.8 | 117.8 | 173.3 | -8 | 0 | 0 | 0 | 0 | 109.6 | L250 | T248-L250 PolarHBondContact O-N 3.08Š| ||
| 249 | R | 43.2 | Very low | 43.2 | Very low | 240 Ų | 240 | 146 Ų | 146 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -58.4 | 112.3 | 177.3 | -72.7 | -169.1 | 175 | -163.9 | -0.1 | 108.8 | T247 C251 | T247-R249 PolarHBondContact O-N 2.93Å; R249-C251 PolarHBondContact O-N 3.03Å; R249-C251 VanDerWaalsContact O-N 3.16Å | ||
| 250 | L | 42 | Very low | 43 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -69.8 | 106.7 | 165.1 | -77.2 | 162.5 | 0 | 0 | 0 | 107.2 | T248 | T248-L250 PolarHBondContact O-N 3.08Š| ||
| 251 | C | 38.2 | Very low | 42.3 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -62.9 | 143.6 | 173 | -74.3 | 0 | 0 | 0 | 0 | 110.5 | R249 I253 | R249-C251 PolarHBondContact O-N 3.03Å; R249-C251 VanDerWaalsContact O-N 3.16Å; C251-I253 PolarHBondContact O-N 2.88Å | ||
| 252 | S | 42.8 | Very low | 41.8 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -55.5 | 128.1 | 169.2 | 50.4 | 0 | 0 | 0 | 0 | 110.4 | Q254 | S252-Q254 PolarHBondContact O-N 3.14Å; S252-Q254 VanDerWaalsContact O-N 3.14Å | ||
| 253 | I | 41 | Very low | 41.8 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -64.5 | 112 | 172.7 | -62.3 | 169.1 | 0 | 0 | 0 | 107.5 | C251 | C251-I253 PolarHBondContact O-N 2.88Š| ||
| 254 | Q | 49.5 | Very low | 41.5 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -90.2 | 116.1 | 169.2 | -160.3 | 176.6 | -0.6 | 0 | 0 | 107.1 | S252 S256 | S252-Q254 PolarHBondContact O-N 3.14Å; S252-Q254 VanDerWaalsContact O-N 3.14Å; Q254-S256 PolarHBondContact O-N 3.37Å | ||
| 255 | D | 40 | Very low | 41.1 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -66.5 | 96.1 | 175 | -81.5 | -29 | 0 | 0 | 0 | 110 | R257 | D255-R257 PolarHBondContact O-N 2.97Š| ||
| 256 | S | 37.3 | Very low | 40.5 | Very low | 118 Ų | 118 | 151.4 Ų | 151.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -85.2 | 97.5 | 168.2 | 58.5 | 0 | 0 | 0 | 0 | 109.9 | Q254 N258 | Q254-S256 PolarHBondContact O-N 3.37Å; S256-N258 PolarHBondContact O-N 3.4Å | ||
| 257 | R | 37 | Very low | 40 | Very low | 241 Ų | 241 | 154 Ų | 154 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -63.3 | 120.4 | 163 | -107.9 | 172.4 | 170.4 | 167.5 | -3.5 | 109.9 | D255 | D255-R257 PolarHBondContact O-N 2.97Š| ||
| 258 | N | 33.8 | Very low | 40.2 | Very low | 146 Ų | 146 | 156.4 Ų | 156.4 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | 47.7 | 105.4 | 151.2 | -76.6 | -5.9 | 0 | 0 | 0 | 120.8 | S256 | S256-N258 PolarHBondContact O-N 3.4Š| ||
| 259 | K | 34.8 | Very low | 39.9 | Very low | 183 Ų | 183 | 158.1 Ų | 158.1 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | 34.7 | 113.7 | 109.8 | -78.4 | -172.7 | 179.8 | 178.6 | 0 | 118.2 | |||||
| 260 | N | 35.3 | Very low | 39.5 | Very low | 129 Ų | 129 | 159.6 Ų | 159.6 | 69% | 0.69 | 80% | 0.8 | S | S | * | * | 157.9 | 118.9 | 110.5 | -87.1 | -8.7 | 0 | 0 | 0 | 108.5 | |||||
| 261 | N | 34.4 | Very low | 39.4 | Very low | 127 Ų | 127 | 158.9 Ų | 158.9 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | 64.2 | 126.6 | 104.4 | -74.2 | 21.7 | 0 | 0 | 0 | 111.4 | |||||
| 262 | E | 39.7 | Very low | 39.4 | Very low | 150 Ų | 150 | 161.3 Ų | 161.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | -174.5 | 154.3 | 32.7 | -112.7 | 154.5 | -144.9 | 0 | 0 | 108.5 | ||||
| 263 | E | 41.6 | Very low | 39.2 | Very low | 130 Ų | 130 | 163.9 Ų | 163.9 | 61% | 0.607 | 80% | 0.796 | S | S | * | * | trans | 59.5 | 117.8 | 138.5 | -69.3 | -166 | 158.3 | 0 | 0 | 122.4 | ||||
| 264 | K | 39.5 | Very low | 39.1 | Very low | 156 Ų | 156 | 164.2 Ų | 164.2 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | 91.6 | 146.9 | 107.2 | -79.8 | 179.2 | -171.1 | 152.2 | 0 | 112.1 | |||||
| 265 | E | 39.5 | Very low | 38.5 | Very low | 167 Ų | 167 | 163.2 Ų | 163.2 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | cis | -172 | 156 | -11.3 | -167.4 | 179.1 | 174.5 | 0 | 0 | 104.9 | ||||
| 266 | A | 41.1 | Very low | 38.4 | Very low | 77 Ų | 77 | 163.7 Ų | 163.7 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | 67.4 | 111 | 152.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 267 | K | 42.3 | Very low | 38.5 | Very low | 203 Ų | 203 | 167 Ų | 167 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | 72.2 | 117.7 | 118.4 | -69 | -178.8 | 178.6 | 176.2 | 0 | 121.4 | |||||
| 268 | E | 43.4 | Very low | 38.6 | Very low | 178 Ų | 178 | 161.3 Ų | 161.3 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -31.5 | 120.4 | 142.5 | -166 | -176.8 | -174.3 | 0 | 0 | 115.4 | ||||
| 269 | K | 40.8 | Very low | 39 | Very low | 180 Ų | 180 | 162.6 Ų | 162.6 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | 165.9 | 136.3 | 120.8 | -90.1 | -175.7 | -178.4 | -175.3 | 0 | 111.5 | |||||
| 270 | Q | 35.3 | Very low | 39.3 | Very low | 271 Ų | 271 | 160.7 Ų | 160.7 | 100% | 1.266 | 78% | 0.776 | S | S | * | * | trans | 76.9 | 0 | 169.6 | -94.7 | 162.9 | -35.9 | 0 | 0 | 118.3 |
Retrieved 270 of 270 residues in 131 ms
(Link to these results)