| 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 | 36.8 | Very low | 42 | Very low | 246 Ų | 246 | 155.9 Ų | 155.9 | 100% | 1.212 | 80% | 0.803 | S | S | * | * | 0 | 125.9 | 0 | -75.6 | 149.2 | 160.1 | 0 | 0 | 107.4 | |||||
| 2 | K | 36.5 | Very low | 42.7 | Very low | 192 Ų | 192 | 144.3 Ų | 144.3 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | -117.7 | 99.6 | -168.2 | -147.3 | 157.6 | -177.8 | 169.7 | 0 | 106.1 | H4 | K2-H4 PolarHBondContact O-N 3.02Š| ||
| 3 | T | 37.3 | Very low | 43.5 | Very low | 124 Ų | 124 | 144 Ų | 144 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | -75.5 | 108.7 | -178.3 | 31.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | H | 38.8 | Very low | 44.1 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | -81.3 | 113.3 | 168.8 | -81.4 | -96.7 | 0 | 0 | 0 | 108.1 | K2 F6 | K2-H4 PolarHBondContact O-N 3.02Å; H4-F6 PolarHBondContact O-N 3.16Å | ||
| 5 | F | 42.4 | Very low | 44.6 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | trans | -76.7 | 105.2 | 167.2 | -86.2 | -93.1 | 0 | 0 | 0 | 108.8 | F7 | F5-F7 PolarHBondContact O-N 3.28Š| ||
| 6 | F | 41.9 | Very low | 45.2 | Very low | 198 Ų | 198 | 131.9 Ų | 131.9 | 87% | 0.868 | 71% | 0.705 | S | S | * | * | trans | -83.1 | 100.9 | 163 | -109.1 | -92.2 | 0 | 0 | 0 | 107.7 | H4 S8 | H4-F6 PolarHBondContact O-N 3.16Å; F6-S8 PolarHBondContact O-N 3.31Å | ||
| 7 | F | 42.1 | Very low | 45.6 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 66% | 0.658 | 70% | 0.695 | S | S | * | * | trans | -67.5 | 118.7 | 169.8 | -119.9 | -76.4 | 0 | 0 | 0 | 108.2 | F5 S9 C12 | F5-F7 PolarHBondContact O-N 3.28Å; F7-S9 PolarHBondContact O-N 3.11Å; F7-S9 VanDerWaalsContact O-N 3.12Å; F7-C12 VanDerWaalsContact CB-SG 3.58Å; F7-C12 WeakPolarHBondContact CD1-SG 3.46Å | ||
| 8 | S | 38.9 | Very low | 45.7 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | trans | -58.3 | 116.3 | 175.5 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | F6 S10 C12 | F6-S8 PolarHBondContact O-N 3.31Å; S8-S10 PolarHBondContact O-N 3.13Å; S8-C12 PolarHBondContact O-SG 3.29Å; S8-C12 VanDerWaalsContact O-SG 3.39Å | ||
| 9 | S | 49.8 | Very low | 46.2 | Very low | 98 Ų | 98 | 122.8 Ų | 122.8 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 4.7 | -165.2 | 41.1 | 0 | 0 | 0 | 0 | 115.8 | F7 | F7-S9 PolarHBondContact O-N 3.11Å; F7-S9 VanDerWaalsContact O-N 3.12Å |
| 10 | S | 50 | Low | 46.6 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -28 | -178.3 | -175.7 | 0 | 0 | 0 | 0 | 114.6 | S8 | S8-S10 PolarHBondContact O-N 3.13Š|
| 11 | L | 47.6 | Very low | 46.9 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 82% | 0.817 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -12.8 | 178.7 | -167.8 | 62.5 | 0 | 0 | 0 | 112.3 | ||
| 12 | C | 50.4 | Low | 47.6 | Very low | 16 Ų | 16 | 119.3 Ų | 119.3 | 11% | 0.108 | 64% | 0.638 | C | S | . | * | H | α-helix | trans | -73.6 | -33.8 | -174.2 | -69.8 | 0 | 0 | 0 | 0 | 114.6 | F7 S8 G14 L15 V16 | F7-C12 VanDerWaalsContact CB-SG 3.58Å; F7-C12 WeakPolarHBondContact CD1-SG 3.46Å; S8-C12 PolarHBondContact O-SG 3.29Å; S8-C12 VanDerWaalsContact O-SG 3.39Å; C12-G14 VanDerWaalsContact C-N 3.28Å; C12-G14 PolarHBondContact O-N 3.37Å; C12-L15 PolarHBondContact O-N 3.23Å; C12-V16 HydrophobicContact CB-CG2 3.76Å; C12-V16 WeakPolarHBondContact O-CA 3.11Å; C12-V16 WeakPolarHBondContact O-CB 2.86Å; C12-V16 WeakPolarHBondContact O-CG2 3.42Å; C12-V16 PolarHBondContact O-N 3.27Å |
| 13 | L | 53.2 | Low | 48.4 | Very low | 141 Ų | 141 | 115.5 Ų | 115.5 | 74% | 0.738 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.4 | -30.9 | -161.6 | -64.7 | 173.6 | 0 | 0 | 0 | 113.1 | A17 | L13-A17 WeakPolarHBondContact O-CB 3.34Å |
| 14 | G | 52.1 | Low | 49.2 | Very low | 61 Ų | 61 | 111.7 Ų | 111.7 | 63% | 0.629 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -83.1 | -36.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C12 | C12-G14 VanDerWaalsContact C-N 3.28Å; C12-G14 PolarHBondContact O-N 3.37Å |
| 15 | L | 51.8 | Low | 49.9 | Very low | 111 Ų | 111 | 113 Ų | 113 | 58% | 0.581 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -85.5 | -32.6 | -177.6 | -159.3 | 89.4 | 0 | 0 | 0 | 112.5 | C12 T18 I19 | C12-L15 PolarHBondContact O-N 3.23Å; L15-T18 PolarHBondContact O-OG1 3.2Å; L15-I19 HydrophobicContact CD2-CD1 3.95Å; L15-I19 HydrophobicContact CG-CD1 3.81Å; L15-I19 WeakPolarHBondContact O-CB 3.32Å; L15-I19 WeakPolarHBondContact O-CD1 3.31Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.42Å; L15-I19 PolarHBondContact O-N 3.22Å |
| 16 | V | 53.1 | Low | 50.1 | Low | 66 Ų | 66 | 109 Ų | 109 | 40% | 0.4 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -78.3 | -28.9 | -179.5 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | C12 T18 K20 | C12-V16 HydrophobicContact CB-CG2 3.76Å; C12-V16 WeakPolarHBondContact O-CA 3.11Å; C12-V16 WeakPolarHBondContact O-CB 2.86Å; C12-V16 WeakPolarHBondContact O-CG2 3.42Å; C12-V16 PolarHBondContact O-N 3.27Å; V16-T18 VanDerWaalsContact C-N 3.34Å; V16-T18 PolarHBondContact O-N 2.9Å; V16-K20 HydrophobicContact CG1-CB 4.5Å; V16-K20 WeakPolarHBondContact O-CB 3.34Å; V16-K20 PolarHBondContact O-N 2.87Å |
| 17 | A | 51.8 | Low | 50.4 | Low | 64 Ų | 64 | 103.3 Ų | 103.3 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64 | -38.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L13 | L13-A17 WeakPolarHBondContact O-CB 3.34Å |
| 18 | T | 48.9 | Very low | 50.8 | Low | 77 Ų | 77 | 100.9 Ų | 100.9 | 47% | 0.472 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.2 | -58.1 | 174.2 | 54 | 0 | 0 | 0 | 0 | 109.7 | L15 V16 K20 E21 H22 | L15-T18 PolarHBondContact O-OG1 3.2Å; V16-T18 VanDerWaalsContact C-N 3.34Å; V16-T18 PolarHBondContact O-N 2.9Å; T18-K20 PolarHBondContact O-N 3.23Å; T18-K20 VanDerWaalsContact O-N 3.08Å; T18-E21 PolarHBondContact O-N 3.23Å; T18-H22 PolarHBondContact O-CE1 3.26Å; T18-H22 PolarHBondContact O-ND1 2.91Å; T18-H22 PolarHBondContact O-NE2 3.1Å |
| 19 | I | 53.9 | Low | 51.1 | Low | 82 Ų | 82 | 101.6 Ų | 101.6 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.4 | -31.1 | -172.4 | -63.7 | 170.4 | 0 | 0 | 0 | 114.2 | L15 E21 H22 I23 | L15-I19 HydrophobicContact CD2-CD1 3.95Å; L15-I19 HydrophobicContact CG-CD1 3.81Å; L15-I19 WeakPolarHBondContact O-CB 3.32Å; L15-I19 WeakPolarHBondContact O-CD1 3.31Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.42Å; L15-I19 PolarHBondContact O-N 3.22Å; I19-E21 VanDerWaalsContact C-N 3.26Å; I19-E21 PolarHBondContact O-N 3.16Å; I19-H22 VanDerWaalsContact CA-NE2 3.26Å; I19-H22 WeakPolarHBondContact CA-NE2 3.32Å; I19-I23 WeakPolarHBondContact O-CG1 3.4Å |
| 20 | K | 55.1 | Low | 51.2 | Low | 163 Ų | 163 | 101.9 Ų | 101.9 | 71% | 0.709 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -23.6 | -179.8 | 179.1 | 177.8 | 162.4 | -176.2 | 0 | 113.5 | V16 T18 | V16-K20 HydrophobicContact CG1-CB 4.5Å; V16-K20 WeakPolarHBondContact O-CB 3.34Å; V16-K20 PolarHBondContact O-N 2.87Å; T18-K20 PolarHBondContact O-N 3.23Å; T18-K20 VanDerWaalsContact O-N 3.08Å |
| 21 | E | 51.6 | Low | 51.3 | Low | 173 Ų | 173 | 104.6 Ų | 104.6 | 81% | 0.808 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -19.4 | -174.4 | -166.4 | 169.8 | -172.1 | 0 | 0 | 113.7 | T18 I19 | T18-E21 PolarHBondContact O-N 3.23Å; I19-E21 VanDerWaalsContact C-N 3.26Å; I19-E21 PolarHBondContact O-N 3.16Å |
| 22 | H | 53.1 | Low | 51.7 | Low | 82 Ų | 82 | 101 Ų | 101 | 38% | 0.38 | 59% | 0.591 | S | S | . | * | trans | -112.6 | 14.1 | -173.2 | 25.2 | -93.9 | 0 | 0 | 0 | 115 | T18 I19 T24 | T18-H22 PolarHBondContact O-CE1 3.26Å; T18-H22 PolarHBondContact O-ND1 2.91Å; T18-H22 PolarHBondContact O-NE2 3.1Å; I19-H22 VanDerWaalsContact CA-NE2 3.26Å; I19-H22 WeakPolarHBondContact CA-NE2 3.32Å; H22-T24 VanDerWaalsContact C-N 3.32Å; H22-T24 PolarHBondContact O-N 3.46Å | ||
| 23 | I | 52.1 | Low | 52 | Low | 112 Ų | 112 | 108.9 Ų | 108.9 | 57% | 0.574 | 62% | 0.619 | S | S | * | * | trans | -71.2 | 94.1 | 170.5 | -53.5 | 177.7 | 0 | 0 | 0 | 107.9 | I19 | I19-I23 WeakPolarHBondContact O-CG1 3.4Š| ||
| 24 | T | 53.9 | Low | 52.3 | Low | 44 Ų | 44 | 106.8 Ų | 106.8 | 27% | 0.27 | 61% | 0.612 | S | S | . | * | trans | -62.3 | 149.8 | 170.7 | 65.8 | 0 | 0 | 0 | 0 | 109.8 | H22 L37 E39 | H22-T24 VanDerWaalsContact C-N 3.32Å; H22-T24 PolarHBondContact O-N 3.46Å; T24-L37 PolarHBondContact OG1-O 2.82Å; T24-E39 HydrophobicContact CG2-CG 3.83Å; T24-E39 WeakPolarHBondContact CG2-OE1 3.37Å | ||
| 25 | K | 53.5 | Low | 52.8 | Low | 186 Ų | 186 | 106.2 Ų | 106.2 | 81% | 0.809 | 60% | 0.601 | S | S | * | * | trans | -48.5 | 149.4 | -173.7 | -69.2 | 176 | -179.3 | 169.2 | 0 | 112.2 | T27 | K25-T27 PolarHBondContact O-N 3.46Š| ||
| 26 | P | 46.7 | Very low | 53.1 | Low | 101 Ų | 101 | 106.7 Ų | 106.7 | 66% | 0.656 | 60% | 0.6 | S | S | * | * | trans | -59.3 | 111.3 | -178.1 | 24.9 | -33.5 | 0 | 0 | 0 | 110.1 | A28 | P26-A28 PolarHBondContact O-N 2.92Š| ||
| 27 | T | 49 | Very low | 53.4 | Low | 80 Ų | 80 | 109.3 Ų | 109.3 | 49% | 0.491 | 61% | 0.611 | S | S | . | * | B | Isolated β-bridge | trans | -74.6 | 106.3 | 169 | -61.4 | 0 | 0 | 0 | 0 | 106.7 | K25 M29 | K25-T27 PolarHBondContact O-N 3.46Å; T27-M29 PolarHBondContact O-N 3.18Å |
| 28 | A | 49.4 | Very low | 54.1 | Low | 98 Ų | 98 | 110.7 Ų | 110.7 | 81% | 0.81 | 61% | 0.609 | S | S | * | * | trans | -66.9 | 123.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P26 | P26-A28 PolarHBondContact O-N 2.92Š| ||
| 29 | M | 46.6 | Very low | 54.5 | Low | 111 Ų | 111 | 112.9 Ų | 112.9 | 55% | 0.547 | 61% | 0.614 | S | S | . | * | trans | -118.2 | 122.2 | 165.2 | -62 | -151.1 | -57.8 | 0 | 0 | 108.5 | T27 A35 | T27-M29 PolarHBondContact O-N 3.18Å; M29-A35 HydrophobicContact CE-CB 4Å | ||
| 30 | A | 51.1 | Low | 54.4 | Low | 104 Ų | 104 | 117.6 Ų | 117.6 | 86% | 0.86 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -58.9 | 148.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 31 | Q | 51.8 | Low | 54.3 | Low | 168 Ų | 168 | 119.5 Ų | 119.5 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 87.5 | 39.8 | -175.4 | -150.1 | 176.6 | -23.3 | 0 | 0 | 115.9 | R33 | Q31-R33 PolarHBondContact O-N 3.36Š|
| 32 | G | 56.3 | Low | 54.6 | Low | 82 Ų | 82 | 114 Ų | 114 | 85% | 0.845 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 67.5 | 9.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 33 | R | 56.5 | Low | 54.7 | Low | 180 Ų | 180 | 120.3 Ų | 120.3 | 68% | 0.679 | 65% | 0.645 | S | S | * | * | trans | -116.2 | 107.8 | 176.2 | -68.1 | -171.1 | -71.9 | -131.9 | 1 | 108.7 | Q31 | Q31-R33 PolarHBondContact O-N 3.36Š| ||
| 34 | V | 61 | Low | 54.6 | Low | 97 Ų | 97 | 117.7 Ų | 117.7 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 118.8 | 172.9 | 178.3 | 0 | 0 | 0 | 0 | 107.2 | ||
| 35 | A | 61.3 | Low | 54.2 | Low | 50 Ų | 50 | 119.4 Ų | 119.4 | 41% | 0.413 | 67% | 0.672 | S | S | . | * | B | Isolated β-bridge | trans | -99 | 135.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | M29 | M29-A35 HydrophobicContact CE-CB 4Å |
| 36 | H | 57.7 | Low | 53.6 | Low | 120 Ų | 120 | 115.6 Ų | 115.6 | 56% | 0.556 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 120.1 | 171.9 | -69.6 | -86.2 | 0 | 0 | 0 | 108.6 | I38 | H36-I38 PolarHBondContact O-N 2.83Š|
| 37 | L | 59.7 | Low | 53.5 | Low | 122 Ų | 122 | 114 Ų | 114 | 64% | 0.639 | 67% | 0.67 | S | S | * | * | trans | -82.5 | 104.4 | 172 | -145.3 | 87.4 | 0 | 0 | 0 | 107.6 | T24 E39 | T24-L37 PolarHBondContact OG1-O 2.82Å; L37-E39 PolarHBondContact O-N 3.17Å | ||
| 38 | I | 67.2 | Low | 53.1 | Low | 92 Ų | 92 | 117.8 Ų | 117.8 | 47% | 0.472 | 69% | 0.687 | S | S | . | * | trans | -87.2 | 100.1 | 170.8 | -58.2 | 173.4 | 0 | 0 | 0 | 105.9 | H36 W40 | H36-I38 PolarHBondContact O-N 2.83Å; I38-W40 HydrophobicContact CG2-CD2 4.26Å; I38-W40 HydrophobicContact CG2-CG 4.47Å; I38-W40 HydrophobicContact CG2-CZ2 4.22Å; I38-W40 PolarHBondContact O-N 3.23Å | ||
| 39 | E | 57.6 | Low | 52.8 | Low | 123 Ų | 123 | 122.5 Ų | 122.5 | 58% | 0.575 | 69% | 0.692 | S | S | * | * | trans | -72.4 | 110 | 168.6 | 63.4 | 179.7 | 177 | 0 | 0 | 108.5 | T24 L37 K41 | T24-E39 HydrophobicContact CG2-CG 3.83Å; T24-E39 WeakPolarHBondContact CG2-OE1 3.37Å; L37-E39 PolarHBondContact O-N 3.17Å; E39-K41 VanDerWaalsContact C-N 3.27Å; E39-K41 PolarHBondContact O-N 3.03Å | ||
| 40 | W | 51.9 | Low | 52.5 | Low | 181 Ų | 181 | 120.6 Ų | 120.6 | 69% | 0.686 | 70% | 0.701 | S | S | * | * | trans | -80 | 79.4 | 172.6 | -66 | 92.4 | 0 | 0 | 0 | 108.8 | I38 G42 W43 | I38-W40 HydrophobicContact CG2-CD2 4.26Å; I38-W40 HydrophobicContact CG2-CG 4.47Å; I38-W40 HydrophobicContact CG2-CZ2 4.22Å; I38-W40 PolarHBondContact O-N 3.23Å; W40-G42 PolarHBondContact O-N 3.32Å; W40-G42 VanDerWaalsContact O-N 3.17Å; W40-W43 AromaticContact CE3-NE1 3.99Å | ||
| 41 | K | 51.9 | Low | 51.9 | Low | 203 Ų | 203 | 119.3 Ų | 119.3 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | trans | -79.3 | 95.7 | 170 | -163.7 | 177.7 | -179.9 | -177.4 | 0 | 108.8 | E39 | E39-K41 VanDerWaalsContact C-N 3.27Å; E39-K41 PolarHBondContact O-N 3.03Å | ||
| 42 | G | 59.2 | Low | 51.5 | Low | 57 Ų | 57 | 115.1 Ų | 115.1 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | trans | 123.8 | 71.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | W40 | W40-G42 PolarHBondContact O-N 3.32Å; W40-G42 VanDerWaalsContact O-N 3.17Å | ||
| 43 | W | 55.1 | Low | 50.7 | Low | 215 Ų | 215 | 117.4 Ų | 117.4 | 81% | 0.814 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -102.9 | 1.8 | 155 | -78.4 | 2.3 | 0 | 0 | 0 | 112.9 | W40 | W40-W43 AromaticContact CE3-NE1 3.99Š|
| 44 | G | 49.7 | Very low | 50.3 | Low | 58 Ų | 58 | 120.8 Ų | 120.8 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -130.1 | 128.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 45 | G | 45.1 | Very low | 49.6 | Very low | 79 Ų | 79 | 119.8 Ų | 119.8 | 81% | 0.814 | 71% | 0.707 | S | S | * | * | trans | -64.2 | 179.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 46 | C | 40.2 | Very low | 48.5 | Very low | 107 Ų | 107 | 120 Ų | 120 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | trans | 88.9 | 103.6 | -173.6 | -142.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 47 | G | 46 | Very low | 47.9 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | cis | 81 | 82 | 45.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 48 | D | 41 | Very low | 47.4 | Very low | 158 Ų | 158 | 125.4 Ų | 125.4 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -131.5 | 106.7 | 161.8 | -140.2 | -24.4 | 0 | 0 | 0 | 102.9 | ||
| 49 | E | 41.9 | Very low | 46.3 | Very low | 197 Ų | 197 | 124.8 Ų | 124.8 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | S | Bend | -129.8 | 124.8 | 55.2 | -64.4 | 170.1 | 153.3 | 0 | 0 | 112.7 | |||
| 50 | G | 40.1 | Very low | 45.5 | Very low | 72 Ų | 72 | 122.8 Ų | 122.8 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 119.5 | 91.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 51 | G | 38.6 | Very low | 44.9 | Very low | 76 Ų | 76 | 124.3 Ų | 124.3 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 101 | 110.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 52 | G | 44.2 | Very low | 44.9 | Very low | 80 Ų | 80 | 120.1 Ų | 120.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -60.7 | 144.7 | -170 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 53 | N | 38.4 | Very low | 44.6 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | -153.9 | 119.3 | 132 | -164.2 | 22 | 0 | 0 | 0 | 108.5 | A55 | N53-A55 VanDerWaalsContact C-N 3.27Å; N53-A55 PolarHBondContact O-N 2.99Å | ||
| 54 | R | 49.6 | Very low | 44.1 | Very low | 252 Ų | 252 | 121.2 Ų | 121.2 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | trans | -69.2 | 90.5 | 164.3 | -78.8 | -177.9 | 173.3 | -178.9 | -2 | 107.2 | ||||
| 55 | A | 44.9 | Very low | 44.2 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | trans | -105.2 | 92.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | N53 | N53-A55 VanDerWaalsContact C-N 3.27Å; N53-A55 PolarHBondContact O-N 2.99Å | ||
| 56 | G | 38.9 | Very low | 44.2 | Very low | 55 Ų | 55 | 121.9 Ų | 121.9 | 57% | 0.567 | 79% | 0.791 | S | S | * | * | trans | -59.6 | 173.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S58 | G56-S58 PolarHBondContact O-N 2.8Å; G56-S58 PolarHBondContact O-OG 2.97Å | ||
| 57 | W | 45.1 | Very low | 44.6 | Very low | 257 Ų | 257 | 120.9 Ų | 120.9 | 97% | 0.973 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -54.6 | 74.4 | 177.8 | -67.7 | -33.1 | 0 | 0 | 0 | 114.1 | ||
| 58 | S | 48.9 | Very low | 44.8 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -158.5 | 107.5 | 175.3 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | G56 | G56-S58 PolarHBondContact O-N 2.8Å; G56-S58 PolarHBondContact O-OG 2.97Å |
| 59 | G | 44.1 | Very low | 45.2 | Very low | 80 Ų | 80 | 123.6 Ų | 123.6 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 83 | 88.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 60 | G | 40.3 | Very low | 45.5 | Very low | 80 Ų | 80 | 118.7 Ų | 118.7 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -154.3 | 37.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 61 | W | 40.1 | Very low | 45.9 | Very low | 213 Ų | 213 | 117.8 Ų | 117.8 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -114.1 | 25.1 | 173.1 | 60 | -50.8 | 0 | 0 | 0 | 111.7 | ||
| 62 | S | 51.6 | Low | 46.5 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -141.7 | 131.4 | 169.6 | -94.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 63 | K | 53.4 | Low | 46.8 | Very low | 215 Ų | 215 | 116.9 Ų | 116.9 | 94% | 0.935 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 97.6 | 76.5 | 163.7 | -145.6 | 169.7 | -178.2 | 178.9 | 0 | 115.6 | ||
| 64 | G | 44.8 | Very low | 47.4 | Very low | 80 Ų | 80 | 115.1 Ų | 115.1 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 154.8 | 85.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 65 | G | 50.5 | Low | 47.7 | Very low | 87 Ų | 87 | 106.5 Ų | 106.5 | 90% | 0.897 | 70% | 0.704 | S | S | * | * | trans | 72.4 | 85.7 | 147 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 66 | G | 46.3 | Very low | 48.3 | Very low | 65 Ų | 65 | 108.6 Ų | 108.6 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 162.9 | 93.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | W68 | G66-W68 VanDerWaalsContact C-N 3.34Å; G66-W68 PolarHBondContact O-N 2.94Å |
| 67 | G | 48.6 | Very low | 49.2 | Very low | 85 Ų | 85 | 111.3 Ų | 111.3 | 88% | 0.876 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 61.2 | 8.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||
| 68 | W | 50.2 | Low | 50.5 | Low | 203 Ų | 203 | 103.3 Ų | 103.3 | 77% | 0.769 | 68% | 0.675 | S | S | * | * | trans | -129.5 | -0.3 | 179.5 | -65.6 | 57.7 | 0 | 0 | 0 | 113.2 | G66 A70 M71 | G66-W68 VanDerWaalsContact C-N 3.34Å; G66-W68 PolarHBondContact O-N 2.94Å; W68-A70 PolarHBondContact O-N 3.49Å; W68-A70 VanDerWaalsContact O-N 3.16Å; W68-M71 HydrophobicContact CE3-SD 4.02Å; W68-M71 HydrophobicContact CZ3-SD 4.36Å; W68-M71 VanDerWaalsContact O-CB 3.29Å; W68-M71 WeakPolarHBondContact O-CB 3.25Å; W68-M71 PolarHBondContact O-N 3.3Å | ||
| 69 | G | 48.8 | Very low | 51.8 | Low | 81 Ų | 81 | 104.4 Ų | 104.4 | 84% | 0.835 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -6.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 70 | A | 48.1 | Very low | 53.3 | Low | 93 Ų | 93 | 106.2 Ų | 106.2 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -15.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W68 G72 | W68-A70 PolarHBondContact O-N 3.49Å; W68-A70 VanDerWaalsContact O-N 3.16Å; A70-G72 PolarHBondContact O-N 2.77Å |
| 71 | M | 49.7 | Very low | 55.2 | Low | 53 Ų | 53 | 108.9 Ų | 108.9 | 26% | 0.261 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.6 | 13.9 | 176 | -156.8 | -159.6 | 173.8 | 0 | 0 | 111.8 | W68 E74 L75 | W68-M71 HydrophobicContact CE3-SD 4.02Å; W68-M71 HydrophobicContact CZ3-SD 4.36Å; W68-M71 VanDerWaalsContact O-CB 3.29Å; W68-M71 WeakPolarHBondContact O-CB 3.25Å; W68-M71 PolarHBondContact O-N 3.3Å; M71-E74 HydrophobicContact CB-CG 4.28Å; M71-E74 HydrophobicContact CE-CG 4.21Å; M71-E74 WeakPolarHBondContact CE-OE1 3.49Å; M71-E74 HydrophobicContact CG-CG 3.39Å; M71-E74 WeakPolarHBondContact CG-OE1 3.3Å; M71-L75 HydrophobicContact CE-CD1 4.18Å; M71-L75 HydrophobicContact CE-CD2 3.56Å; M71-L75 HydrophobicContact CE-CG 3.77Å; M71-L75 HydrophobicContact CG-CD1 4.46Å; M71-L75 HydrophobicContact CG-CG 4.22Å; M71-L75 WeakPolarHBondContact O-CG 3.38Å; M71-L75 HydrophobicContact SD-CD1 3.97Å; M71-L75 HydrophobicContact SD-CD2 4.43Å; M71-L75 HydrophobicContact SD-CG 4.07Å |
| 72 | G | 51 | Low | 57.3 | Low | 45 Ų | 45 | 103.5 Ų | 103.5 | 46% | 0.464 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -77.6 | -26.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | A70 Q76 | A70-G72 PolarHBondContact O-N 2.77Å; G72-Q76 WeakPolarHBondContact O-CB 3.28Å |
| 73 | T | 50.7 | Low | 58.9 | Low | 92 Ų | 92 | 102.2 Ų | 102.2 | 56% | 0.564 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -85.7 | -38 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | Q76 E77 | T73-Q76 PolarHBondContact O-N 2.94Å; T73-E77 VanDerWaalsContact O-CG 3.29Å; T73-E77 WeakPolarHBondContact O-CG 3.5Å; T73-E77 PolarHBondContact O-N 3.12Å |
| 74 | E | 50.4 | Low | 60.5 | Low | 93 Ų | 93 | 98.9 Ų | 98.9 | 44% | 0.435 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.6 | -41.3 | 179.4 | 73.4 | -176.2 | -132.1 | 0 | 0 | 112.4 | M71 Q76 E77 D78 | M71-E74 HydrophobicContact CB-CG 4.28Å; M71-E74 HydrophobicContact CE-CG 4.21Å; M71-E74 WeakPolarHBondContact CE-OE1 3.49Å; M71-E74 HydrophobicContact CG-CG 3.39Å; M71-E74 WeakPolarHBondContact CG-OE1 3.3Å; E74-Q76 VanDerWaalsContact C-N 3.28Å; E74-Q76 PolarHBondContact O-N 3.33Å; E74-E77 PolarHBondContact O-N 3.36Å; E74-D78 WeakPolarHBondContact O-CB 3.27Å; E74-D78 PolarHBondContact O-N 2.89Å |
| 75 | L | 55.8 | Low | 62.7 | Low | 71 Ų | 71 | 96.9 Ų | 96.9 | 37% | 0.372 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.9 | -34 | 175.6 | -72.1 | 179.4 | 0 | 0 | 0 | 111.9 | M71 D78 E79 | M71-L75 HydrophobicContact CE-CD1 4.18Å; M71-L75 HydrophobicContact CE-CD2 3.56Å; M71-L75 HydrophobicContact CE-CG 3.77Å; M71-L75 HydrophobicContact CG-CD1 4.46Å; M71-L75 HydrophobicContact CG-CG 4.22Å; M71-L75 WeakPolarHBondContact O-CG 3.38Å; M71-L75 HydrophobicContact SD-CD1 3.97Å; M71-L75 HydrophobicContact SD-CD2 4.43Å; M71-L75 HydrophobicContact SD-CG 4.07Å; L75-D78 PolarHBondContact O-N 3.07Å; L75-E79 VanDerWaalsContact O-CB 3.27Å; L75-E79 WeakPolarHBondContact O-CB 3.42Å; L75-E79 PolarHBondContact O-N 3.12Å |
| 76 | Q | 56.5 | Low | 64.7 | Low | 120 Ų | 120 | 96.4 Ų | 96.4 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.2 | -35.9 | 176.8 | 179.5 | 146.2 | 71.2 | 0 | 0 | 111.9 | G72 T73 E74 Q80 | G72-Q76 WeakPolarHBondContact O-CB 3.28Å; T73-Q76 PolarHBondContact O-N 2.94Å; E74-Q76 VanDerWaalsContact C-N 3.28Å; E74-Q76 PolarHBondContact O-N 3.33Å; Q76-Q80 WeakPolarHBondContact O-CG 3.39Å; Q76-Q80 PolarHBondContact O-N 3.3Å |
| 77 | E | 58.8 | Low | 66.9 | Low | 111 Ų | 111 | 98.9 Ų | 98.9 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.8 | -45.4 | 171.7 | -71 | 171.1 | -157.6 | 0 | 0 | 110.7 | T73 E74 E79 Q80 F81 | T73-E77 VanDerWaalsContact O-CG 3.29Å; T73-E77 WeakPolarHBondContact O-CG 3.5Å; T73-E77 PolarHBondContact O-N 3.12Å; E74-E77 PolarHBondContact O-N 3.36Å; E77-E79 VanDerWaalsContact C-N 3.29Å; E77-E79 PolarHBondContact O-N 3.44Å; E77-Q80 CarbonylContact O-C 3.59Å; E77-Q80 WeakPolarHBondContact O-CA 3.46Å; E77-Q80 WeakPolarHBondContact O-CB 3.44Å; E77-Q80 PolarHBondContact O-N 3.5Å; E77-Q80 VanDerWaalsContact O-N 3.08Å; E77-F81 WeakPolarHBondContact O-CD2 3.45Å; E77-F81 PolarHBondContact O-N 3.36Å |
| 78 | D | 71.4 | Confident | 69.1 | Low | 90 Ų | 90 | 102.3 Ų | 102.3 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 177 | -72.7 | -23 | 0 | 0 | 0 | 112.4 | E74 L75 F81 Y82 | E74-D78 WeakPolarHBondContact O-CB 3.27Å; E74-D78 PolarHBondContact O-N 2.89Å; L75-D78 PolarHBondContact O-N 3.07Å; D78-F81 PolarHBondContact O-N 3.31Å; D78-Y82 VanDerWaalsContact O-CB 3.25Å; D78-Y82 WeakPolarHBondContact O-CB 3.43Å; D78-Y82 PolarHBondContact O-N 3.01Å |
| 79 | E | 76.3 | Confident | 71.3 | Confident | 120 Ų | 120 | 96.3 Ų | 96.3 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.2 | -35.4 | 175.8 | -164.1 | 172.2 | -163.2 | 0 | 0 | 111.6 | L75 E77 S83 | L75-E79 VanDerWaalsContact O-CB 3.27Å; L75-E79 WeakPolarHBondContact O-CB 3.42Å; L75-E79 PolarHBondContact O-N 3.12Å; E77-E79 VanDerWaalsContact C-N 3.29Å; E77-E79 PolarHBondContact O-N 3.44Å; E79-S83 WeakPolarHBondContact O-CB 3.34Å; E79-S83 PolarHBondContact O-N 2.99Å; E79-S83 PolarHBondContact O-OG 2.88Å |
| 80 | Q | 76.6 | Confident | 73.4 | Confident | 118 Ų | 118 | 94.8 Ų | 94.8 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.5 | -38.6 | 171.2 | -71.2 | -171.4 | 29.2 | 0 | 0 | 112.3 | Q76 E77 S83 Q84 | Q76-Q80 WeakPolarHBondContact O-CG 3.39Å; Q76-Q80 PolarHBondContact O-N 3.3Å; E77-Q80 CarbonylContact O-C 3.59Å; E77-Q80 WeakPolarHBondContact O-CA 3.46Å; E77-Q80 WeakPolarHBondContact O-CB 3.44Å; E77-Q80 PolarHBondContact O-N 3.5Å; E77-Q80 VanDerWaalsContact O-N 3.08Å; Q80-S83 PolarHBondContact O-N 3.36Å; Q80-Q84 VanDerWaalsContact O-CG 3.3Å; Q80-Q84 WeakPolarHBondContact O-CG 3.43Å; Q80-Q84 PolarHBondContact O-N 3.37Å; Q80-Q84 VanDerWaalsContact O-N 3.12Å; Q80-Q84 PolarHBondContact O-NE2 3.17Å; Q80-Q84 VanDerWaalsContact O-NE2 3.07Å |
| 81 | F | 79.6 | Confident | 75.7 | Confident | 136 Ų | 136 | 97 Ų | 97 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.8 | -40.1 | 174.5 | -82.5 | -71.9 | 0 | 0 | 0 | 112.1 | E77 D78 S83 Q84 M85 | E77-F81 WeakPolarHBondContact O-CD2 3.45Å; E77-F81 PolarHBondContact O-N 3.36Å; D78-F81 PolarHBondContact O-N 3.31Å; F81-S83 VanDerWaalsContact C-N 3.34Å; F81-Q84 PolarHBondContact O-N 2.9Å; F81-M85 PolarHBondContact O-N 3.12Å; F81-M85 VanDerWaalsContact O-N 3.12Å |
| 82 | Y | 83.4 | Confident | 78 | Confident | 101 Ų | 101 | 97.2 Ų | 97.2 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68 | -36.3 | 176.7 | -154.3 | -90.2 | 0 | 0 | 0 | 111.1 | D78 M85 K90 | D78-Y82 VanDerWaalsContact O-CB 3.25Å; D78-Y82 WeakPolarHBondContact O-CB 3.43Å; D78-Y82 PolarHBondContact O-N 3.01Å; Y82-M85 WeakPolarHBondContact O-CB 3.13Å; Y82-M85 PolarHBondContact O-N 2.97Å; Y82-K90 HydrophobicContact CD1-CD 4.16Å; Y82-K90 HydrophobicContact CD1-CG 4.19Å; Y82-K90 HydrophobicContact CE1-CB 4.21Å; Y82-K90 HydrophobicContact CE1-CD 3.82Å; Y82-K90 HydrophobicContact CE1-CG 3.67Å; Y82-K90 WeakPolarHBondContact O-CE 3.41Å |
| 83 | S | 85.2 | Confident | 80 | Confident | 87 Ų | 87 | 101.9 Ų | 101.9 | 61% | 0.608 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.6 | -36 | 174.6 | -64.2 | 0 | 0 | 0 | 0 | 113 | E79 Q80 F81 M85 | E79-S83 WeakPolarHBondContact O-CB 3.34Å; E79-S83 PolarHBondContact O-N 2.99Å; E79-S83 PolarHBondContact O-OG 2.88Å; Q80-S83 PolarHBondContact O-N 3.36Å; F81-S83 VanDerWaalsContact C-N 3.34Å; S83-M85 VanDerWaalsContact C-N 3.29Å |
| 84 | Q | 87.3 | Confident | 82.2 | Confident | 145 Ų | 145 | 104.5 Ų | 104.5 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -75.1 | -17.9 | 176.2 | -73.2 | 171.6 | 67.5 | 0 | 0 | 113.3 | Q80 F81 | Q80-Q84 VanDerWaalsContact O-CG 3.3Å; Q80-Q84 WeakPolarHBondContact O-CG 3.43Å; Q80-Q84 PolarHBondContact O-N 3.37Å; Q80-Q84 VanDerWaalsContact O-N 3.12Å; Q80-Q84 PolarHBondContact O-NE2 3.17Å; Q80-Q84 VanDerWaalsContact O-NE2 3.07Å; F81-Q84 PolarHBondContact O-N 2.9Å |
| 85 | M | 91.1 | Very high | 84.5 | Confident | 38 Ų | 38 | 102.6 Ų | 102.6 | 19% | 0.187 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -69.1 | 137.2 | 177.7 | -179 | 167.8 | -103.7 | 0 | 0 | 110.8 | F81 Y82 S83 I89 K90 | F81-M85 PolarHBondContact O-N 3.12Å; F81-M85 VanDerWaalsContact O-N 3.12Å; Y82-M85 WeakPolarHBondContact O-CB 3.13Å; Y82-M85 PolarHBondContact O-N 2.97Å; S83-M85 VanDerWaalsContact C-N 3.29Å; M85-I89 HydrophobicContact CE-CB 3.7Å; M85-I89 HydrophobicContact CE-CD1 4.11Å; M85-I89 HydrophobicContact CE-CG1 4.49Å; M85-I89 HydrophobicContact CE-CG2 3.08Å; M85-I89 HydrophobicContact CG-CB 3.58Å; M85-I89 HydrophobicContact CG-CD1 4.1Å; M85-I89 HydrophobicContact CG-CG1 4.4Å; M85-I89 HydrophobicContact CG-CG2 4.07Å; M85-I89 HydrophobicContact SD-CB 3.62Å; M85-I89 HydrophobicContact SD-CG2 3.45Å; M85-I89 WeakPolarHBondContact SD-CG2 3.48Å; M85-K90 HydrophobicContact CB-CG 4.41Å; M85-K90 HydrophobicContact CG-CG 4.18Å; M85-K90 WeakPolarHBondContact O-CE 3.49Å; M85-K90 PolarHBondContact O-NZ 3.45Å; M85-K90 VanDerWaalsContact O-NZ 3.1Å; M85-K90 HydrophobicContact SD-CG 4.46Å |
| 86 | T | 92.3 | Very high | 86.4 | Confident | 78 Ų | 78 | 102 Ų | 102 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | trans | -64 | 150.3 | 176.3 | 64.2 | 0 | 0 | 0 | 0 | 110.4 | E88 I89 K90 | T86-E88 PolarHBondContact O-N 2.65Å; T86-I89 PolarHBondContact O-N 3.46Å; T86-I89 VanDerWaalsContact OG1-CD1 3.31Å; T86-I89 WeakPolarHBondContact OG1-CD1 3.35Å; T86-I89 WeakPolarHBondContact OG1-CG1 3.27Å; T86-K90 PolarHBondContact O-N 3.32Å | ||
| 87 | D | 93.1 | Very high | 88.3 | Confident | 116 Ų | 116 | 97.7 Ų | 97.7 | 62% | 0.62 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.5 | -31.2 | -175 | -63.7 | -26.4 | 0 | 0 | 0 | 112.4 | I89 K90 E91 | D87-I89 VanDerWaalsContact C-N 3.27Å; D87-I89 PolarHBondContact O-N 3.26Å; D87-K90 PolarHBondContact O-N 2.82Å; D87-K90 IonicContact OD1-NZ 2.87Å; D87-K90 PolarHBondContact OD1-NZ 3.36Å; D87-E91 WeakPolarHBondContact O-CB 3.33Å; D87-E91 PolarHBondContact O-N 2.82Å |
| 88 | E | 95.7 | Very high | 90.2 | Very high | 157 Ų | 157 | 96 Ų | 96 | 73% | 0.734 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.9 | -40.1 | 172.6 | -63 | 177.5 | -175.6 | 0 | 0 | 112.3 | T86 A92 | T86-E88 PolarHBondContact O-N 2.65Å; E88-A92 WeakPolarHBondContact O-CB 3.39Å; E88-A92 PolarHBondContact O-N 3.48Å |
| 89 | I | 94.9 | Very high | 91.4 | Very high | 77 Ų | 77 | 94.4 Ų | 94.4 | 40% | 0.395 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -81.1 | -30.9 | -178 | -47.9 | 160.6 | 0 | 0 | 0 | 110.7 | M85 T86 D87 E91 A92 R93 | M85-I89 HydrophobicContact CE-CB 3.7Å; M85-I89 HydrophobicContact CE-CD1 4.11Å; M85-I89 HydrophobicContact CE-CG1 4.49Å; M85-I89 HydrophobicContact CE-CG2 3.08Å; M85-I89 HydrophobicContact CG-CB 3.58Å; M85-I89 HydrophobicContact CG-CD1 4.1Å; M85-I89 HydrophobicContact CG-CG1 4.4Å; M85-I89 HydrophobicContact CG-CG2 4.07Å; M85-I89 HydrophobicContact SD-CB 3.62Å; M85-I89 HydrophobicContact SD-CG2 3.45Å; M85-I89 WeakPolarHBondContact SD-CG2 3.48Å; T86-I89 PolarHBondContact O-N 3.46Å; T86-I89 VanDerWaalsContact OG1-CD1 3.31Å; T86-I89 WeakPolarHBondContact OG1-CD1 3.35Å; T86-I89 WeakPolarHBondContact OG1-CG1 3.27Å; D87-I89 VanDerWaalsContact C-N 3.27Å; D87-I89 PolarHBondContact O-N 3.26Å; I89-E91 VanDerWaalsContact C-N 3.33Å; I89-A92 PolarHBondContact O-N 2.91Å; I89-R93 VanDerWaalsContact O-CG 3.32Å; I89-R93 WeakPolarHBondContact O-CG 3.38Å; I89-R93 PolarHBondContact O-N 3.35Å |
| 90 | K | 94 | Very high | 92.3 | Very high | 50 Ų | 50 | 94.4 Ų | 94.4 | 22% | 0.217 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 169.5 | -63.1 | 177.7 | -169.3 | 140.8 | 0 | 110.6 | Y82 M85 T86 D87 R93 F94 | Y82-K90 HydrophobicContact CD1-CD 4.16Å; Y82-K90 HydrophobicContact CD1-CG 4.19Å; Y82-K90 HydrophobicContact CE1-CB 4.21Å; Y82-K90 HydrophobicContact CE1-CD 3.82Å; Y82-K90 HydrophobicContact CE1-CG 3.67Å; Y82-K90 WeakPolarHBondContact O-CE 3.41Å; M85-K90 HydrophobicContact CB-CG 4.41Å; M85-K90 HydrophobicContact CG-CG 4.18Å; M85-K90 WeakPolarHBondContact O-CE 3.49Å; M85-K90 PolarHBondContact O-NZ 3.45Å; M85-K90 VanDerWaalsContact O-NZ 3.1Å; M85-K90 HydrophobicContact SD-CG 4.46Å; T86-K90 PolarHBondContact O-N 3.32Å; D87-K90 PolarHBondContact O-N 2.82Å; D87-K90 IonicContact OD1-NZ 2.87Å; D87-K90 PolarHBondContact OD1-NZ 3.36Å; K90-R93 PolarHBondContact O-N 2.86Å; K90-F94 PolarHBondContact O-N 3.08Å |
| 91 | E | 96.3 | Very high | 93.3 | Very high | 138 Ų | 138 | 94.6 Ų | 94.6 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 176.7 | -174.2 | 177.2 | -179.6 | 0 | 0 | 111.3 | D87 I89 R93 F94 A95 | D87-E91 WeakPolarHBondContact O-CB 3.33Å; D87-E91 PolarHBondContact O-N 2.82Å; I89-E91 VanDerWaalsContact C-N 3.33Å; E91-R93 VanDerWaalsContact C-N 3.3Å; E91-R93 PolarHBondContact O-N 2.91Å; E91-F94 WeakPolarHBondContact O-CB 3.29Å; E91-F94 PolarHBondContact O-N 3.29Å; E91-A95 WeakPolarHBondContact O-CB 3.41Å; E91-A95 PolarHBondContact O-N 3.33Å |
| 92 | A | 96.7 | Very high | 94.1 | Very high | 58 Ų | 58 | 95.3 Ų | 95.3 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E88 I89 A95 A96 | E88-A92 WeakPolarHBondContact O-CB 3.39Å; E88-A92 PolarHBondContact O-N 3.48Å; I89-A92 PolarHBondContact O-N 2.91Å; A92-A95 PolarHBondContact O-N 3.43Å; A92-A96 VanDerWaalsContact O-CB 3.28Å; A92-A96 WeakPolarHBondContact O-CB 3.39Å; A92-A96 PolarHBondContact O-N 3.4Å |
| 93 | R | 94.9 | Very high | 94.7 | Very high | 144 Ų | 144 | 92.9 Ų | 92.9 | 54% | 0.543 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 176.1 | -73.6 | 176.5 | 176.3 | -131.3 | 2 | 112.3 | I89 K90 E91 G97 | I89-R93 VanDerWaalsContact O-CG 3.32Å; I89-R93 WeakPolarHBondContact O-CG 3.38Å; I89-R93 PolarHBondContact O-N 3.35Å; K90-R93 PolarHBondContact O-N 2.86Å; E91-R93 VanDerWaalsContact C-N 3.3Å; E91-R93 PolarHBondContact O-N 2.91Å; R93-G97 PolarHBondContact O-N 3.3Å |
| 94 | F | 96.4 | Very high | 95.1 | Very high | 146 Ų | 146 | 93.5 Ų | 93.5 | 64% | 0.64 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.3 | -50.8 | 172.7 | 170.8 | -98.8 | 0 | 0 | 0 | 111.1 | K90 E91 A96 G97 V98 | K90-F94 PolarHBondContact O-N 3.08Å; E91-F94 WeakPolarHBondContact O-CB 3.29Å; E91-F94 PolarHBondContact O-N 3.29Å; F94-A96 VanDerWaalsContact C-N 3.29Å; F94-A96 PolarHBondContact O-N 2.88Å; F94-G97 PolarHBondContact O-N 3.32Å; F94-G97 VanDerWaalsContact O-N 3.12Å; F94-V98 HydrophobicContact CD1-CG2 4.29Å; F94-V98 HydrophobicContact CD2-CG2 4.33Å; F94-V98 HydrophobicContact CE1-CG2 3.82Å; F94-V98 HydrophobicContact CE2-CG2 3.86Å; F94-V98 HydrophobicContact CZ-CG2 3.59Å; F94-V98 WeakPolarHBondContact O-CG2 2.97Å; F94-V98 PolarHBondContact O-N 3.02Å |
| 95 | A | 97.9 | Very high | 95.4 | Very high | 53 Ų | 53 | 88.9 Ų | 88.9 | 44% | 0.438 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E91 A92 V98 A99 | E91-A95 WeakPolarHBondContact O-CB 3.41Å; E91-A95 PolarHBondContact O-N 3.33Å; A92-A95 PolarHBondContact O-N 3.43Å; A95-V98 PolarHBondContact O-N 3.49Å; A95-A99 WeakPolarHBondContact O-CB 2.65Å; A95-A99 PolarHBondContact O-N 3.13Å |
| 96 | A | 96.6 | Very high | 95.5 | Very high | 60 Ų | 60 | 92 Ų | 92 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A92 F94 V98 A99 E100 | A92-A96 VanDerWaalsContact O-CB 3.28Å; A92-A96 WeakPolarHBondContact O-CB 3.39Å; A92-A96 PolarHBondContact O-N 3.4Å; F94-A96 VanDerWaalsContact C-N 3.29Å; F94-A96 PolarHBondContact O-N 2.88Å; A96-V98 PolarHBondContact O-N 3.46Å; A96-A99 PolarHBondContact O-N 3.36Å; A96-E100 PolarHBondContact O-N 2.9Å |
| 97 | G | 96.6 | Very high | 95.4 | Very high | 29 Ų | 29 | 90.9 Ų | 90.9 | 30% | 0.299 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R93 F94 E100 Q101 | R93-G97 PolarHBondContact O-N 3.3Å; F94-G97 PolarHBondContact O-N 3.32Å; F94-G97 VanDerWaalsContact O-N 3.12Å; G97-E100 PolarHBondContact O-N 2.95Å; G97-Q101 WeakPolarHBondContact O-CG 3.45Å; G97-Q101 PolarHBondContact O-N 2.88Å; G97-Q101 VanDerWaalsContact O-N 3.13Å |
| 98 | V | 97.6 | Very high | 95.3 | Very high | 75 Ų | 75 | 87.3 Ų | 87.3 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.5 | 173 | 0 | 0 | 0 | 0 | 111 | F94 A95 A96 E100 Q101 F102 | F94-V98 HydrophobicContact CD1-CG2 4.29Å; F94-V98 HydrophobicContact CD2-CG2 4.33Å; F94-V98 HydrophobicContact CE1-CG2 3.82Å; F94-V98 HydrophobicContact CE2-CG2 3.86Å; F94-V98 HydrophobicContact CZ-CG2 3.59Å; F94-V98 WeakPolarHBondContact O-CG2 2.97Å; F94-V98 PolarHBondContact O-N 3.02Å; A95-V98 PolarHBondContact O-N 3.49Å; A96-V98 PolarHBondContact O-N 3.46Å; V98-E100 VanDerWaalsContact C-N 3.32Å; V98-E100 PolarHBondContact O-N 2.95Å; V98-Q101 PolarHBondContact O-N 3.19Å; V98-F102 PolarHBondContact O-N 3.39Å |
| 99 | A | 97.1 | Very high | 94.7 | Very high | 56 Ų | 56 | 85.9 Ų | 85.9 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A95 A96 F102 A103 | A95-A99 WeakPolarHBondContact O-CB 2.65Å; A95-A99 PolarHBondContact O-N 3.13Å; A96-A99 PolarHBondContact O-N 3.36Å; A99-F102 WeakPolarHBondContact O-CB 3.26Å; A99-F102 PolarHBondContact O-N 3.31Å; A99-A103 PolarHBondContact O-N 2.96Å |
| 100 | E | 95.4 | Very high | 94 | Very high | 121 Ų | 121 | 85.7 Ų | 85.7 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -46.9 | 174.9 | -176.4 | -177.5 | 179.4 | 0 | 0 | 111.7 | A96 G97 V98 F102 A103 L104 | A96-E100 PolarHBondContact O-N 2.9Å; G97-E100 PolarHBondContact O-N 2.95Å; V98-E100 VanDerWaalsContact C-N 3.32Å; V98-E100 PolarHBondContact O-N 2.95Å; E100-F102 VanDerWaalsContact C-N 3.28Å; E100-F102 PolarHBondContact O-N 3.02Å; E100-A103 PolarHBondContact O-N 3.17Å; E100-L104 HydrophobicContact CG-CD1 4.48Å; E100-L104 PolarHBondContact O-N 3.38Å |
| 101 | Q | 97.8 | Very high | 93.2 | Very high | 121 Ų | 121 | 89.1 Ų | 89.1 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -37.7 | 176.7 | -65.1 | -54.8 | -61.3 | 0 | 0 | 111.8 | G97 V98 L104 A105 | G97-Q101 WeakPolarHBondContact O-CG 3.45Å; G97-Q101 PolarHBondContact O-N 2.88Å; G97-Q101 VanDerWaalsContact O-N 3.13Å; V98-Q101 PolarHBondContact O-N 3.19Å; Q101-L104 PolarHBondContact O-N 3.25Å; Q101-A105 WeakPolarHBondContact O-CB 3.45Å; Q101-A105 PolarHBondContact O-N 3.38Å |
| 102 | F | 96.1 | Very high | 92.1 | Very high | 152 Ų | 152 | 91.7 Ų | 91.7 | 67% | 0.667 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -45 | 174 | -177.3 | -99.1 | 0 | 0 | 0 | 111.9 | V98 A99 E100 L104 A105 E106 | V98-F102 PolarHBondContact O-N 3.39Å; A99-F102 WeakPolarHBondContact O-CB 3.26Å; A99-F102 PolarHBondContact O-N 3.31Å; E100-F102 VanDerWaalsContact C-N 3.28Å; E100-F102 PolarHBondContact O-N 3.02Å; F102-L104 PolarHBondContact O-N 3.38Å; F102-A105 PolarHBondContact O-N 2.89Å; F102-E106 WeakPolarHBondContact O-CB 3.26Å; F102-E106 PolarHBondContact O-N 3.25Å |
| 103 | A | 96.2 | Very high | 90.5 | Very high | 49 Ų | 49 | 92.8 Ų | 92.8 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A99 E100 E106 A107 | A99-A103 PolarHBondContact O-N 2.96Å; E100-A103 PolarHBondContact O-N 3.17Å; A103-E106 PolarHBondContact O-N 3.38Å; A103-A107 WeakPolarHBondContact O-CB 3.22Å; A103-A107 PolarHBondContact O-N 3.2Å |
| 104 | L | 93.7 | Very high | 88.6 | Confident | 100 Ų | 100 | 91.1 Ų | 91.1 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 175 | -74.5 | 171.1 | 0 | 0 | 0 | 112 | E100 Q101 F102 A107 A108 | E100-L104 HydrophobicContact CG-CD1 4.48Å; E100-L104 PolarHBondContact O-N 3.38Å; Q101-L104 PolarHBondContact O-N 3.25Å; F102-L104 PolarHBondContact O-N 3.38Å; L104-A107 PolarHBondContact O-N 3.24Å; L104-A108 WeakPolarHBondContact O-CB 3.5Å; L104-A108 PolarHBondContact O-N 3.43Å |
| 105 | A | 93.9 | Very high | 86.6 | Confident | 48 Ų | 48 | 88.6 Ų | 88.6 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q101 F102 A108 M109 | Q101-A105 WeakPolarHBondContact O-CB 3.45Å; Q101-A105 PolarHBondContact O-N 3.38Å; F102-A105 PolarHBondContact O-N 2.89Å; A105-A108 PolarHBondContact O-N 3.47Å; A105-M109 WeakPolarHBondContact O-CB 3.29Å; A105-M109 WeakPolarHBondContact O-CG 3.04Å; A105-M109 PolarHBondContact O-N 2.98Å |
| 106 | E | 92 | Very high | 84.6 | Confident | 105 Ų | 105 | 93.1 Ų | 93.1 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 176.9 | -169.4 | -105.7 | 146.5 | 0 | 0 | 111.4 | F102 A103 A108 M109 N110 | F102-E106 WeakPolarHBondContact O-CB 3.26Å; F102-E106 PolarHBondContact O-N 3.25Å; A103-E106 PolarHBondContact O-N 3.38Å; E106-A108 PolarHBondContact O-N 2.8Å; E106-M109 PolarHBondContact O-N 3.36Å; E106-N110 VanDerWaalsContact O-CB 3.27Å; E106-N110 WeakPolarHBondContact O-CB 3.43Å; E106-N110 PolarHBondContact O-N 2.95Å |
| 107 | A | 91.3 | Very high | 82.4 | Confident | 54 Ų | 54 | 95.5 Ų | 95.5 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A103 L104 N110 M111 | A103-A107 WeakPolarHBondContact O-CB 3.22Å; A103-A107 PolarHBondContact O-N 3.2Å; L104-A107 PolarHBondContact O-N 3.24Å; A107-N110 PolarHBondContact O-N 2.97Å; A107-M111 WeakPolarHBondContact O-CB 3.29Å; A107-M111 PolarHBondContact O-N 3.48Å |
| 108 | A | 90.8 | Very high | 80.2 | Confident | 41 Ų | 41 | 98.1 Ų | 98.1 | 34% | 0.339 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L104 A105 E106 M111 W112 | L104-A108 WeakPolarHBondContact O-CB 3.5Å; L104-A108 PolarHBondContact O-N 3.43Å; A105-A108 PolarHBondContact O-N 3.47Å; E106-A108 PolarHBondContact O-N 2.8Å; A108-M111 PolarHBondContact O-N 2.89Å; A108-W112 PolarHBondContact O-N 2.93Å |
| 109 | M | 82.5 | Confident | 77.7 | Confident | 127 Ų | 127 | 103.2 Ų | 103.2 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.2 | -39.9 | 176.2 | -70.5 | -170.7 | -60.6 | 0 | 0 | 112 | A105 E106 W112 S113 | A105-M109 WeakPolarHBondContact O-CB 3.29Å; A105-M109 WeakPolarHBondContact O-CG 3.04Å; A105-M109 PolarHBondContact O-N 2.98Å; E106-M109 PolarHBondContact O-N 3.36Å; M109-W112 PolarHBondContact O-N 3.42Å; M109-S113 WeakPolarHBondContact O-CB 2.99Å; M109-S113 PolarHBondContact O-N 3.47Å |
| 110 | N | 79.6 | Confident | 75.2 | Confident | 73 Ų | 73 | 107.6 Ų | 107.6 | 39% | 0.39 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.1 | -39.9 | 176.6 | -178.1 | 47.9 | 0 | 0 | 0 | 111.9 | E106 A107 W112 S113 M114 | E106-N110 VanDerWaalsContact O-CB 3.27Å; E106-N110 WeakPolarHBondContact O-CB 3.43Å; E106-N110 PolarHBondContact O-N 2.95Å; A107-N110 PolarHBondContact O-N 2.97Å; N110-W112 VanDerWaalsContact C-N 3.32Å; N110-W112 PolarHBondContact O-N 2.98Å; N110-S113 CarbonylContact O-C 3.6Å; N110-S113 PolarHBondContact O-N 2.99Å; N110-M114 PolarHBondContact O-N 3.27Å |
| 111 | M | 77.6 | Confident | 72.7 | Confident | 121 Ų | 121 | 106.8 Ų | 106.8 | 60% | 0.596 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.7 | -40 | 175.1 | -179.2 | 176.2 | 59.8 | 0 | 0 | 112.1 | A107 A108 S115 | A107-M111 WeakPolarHBondContact O-CB 3.29Å; A107-M111 PolarHBondContact O-N 3.48Å; A108-M111 PolarHBondContact O-N 2.89Å; M111-S115 PolarHBondContact O-N 2.84Å |
| 112 | W | 73.6 | Confident | 69.6 | Low | 192 Ų | 192 | 106.7 Ų | 106.7 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.8 | -33.6 | 177.3 | -65.4 | 10.7 | 0 | 0 | 0 | 111 | A108 M109 N110 S115 | A108-W112 PolarHBondContact O-N 2.93Å; M109-W112 PolarHBondContact O-N 3.42Å; N110-W112 VanDerWaalsContact C-N 3.32Å; N110-W112 PolarHBondContact O-N 2.98Å; W112-S115 PolarHBondContact O-N 2.86Å; W112-S115 PolarHBondContact O-OG 3.18Å |
| 113 | S | 62.3 | Low | 67.1 | Low | 82 Ų | 82 | 105.6 Ų | 105.6 | 57% | 0.573 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.1 | -32.2 | 174.9 | -166.7 | 0 | 0 | 0 | 0 | 113.5 | M109 N110 S115 | M109-S113 WeakPolarHBondContact O-CB 2.99Å; M109-S113 PolarHBondContact O-N 3.47Å; N110-S113 CarbonylContact O-C 3.6Å; N110-S113 PolarHBondContact O-N 2.99Å; S113-S115 VanDerWaalsContact C-N 3.3Å |
| 114 | M | 54.9 | Low | 64.8 | Low | 109 Ų | 109 | 108.1 Ų | 108.1 | 54% | 0.537 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -73.3 | -20.5 | 175 | -78.7 | -168.6 | 169.7 | 0 | 0 | 112.8 | N110 D116 N117 | N110-M114 PolarHBondContact O-N 3.27Å; M114-D116 VanDerWaalsContact C-N 3.28Å; M114-D116 PolarHBondContact O-N 3.27Å; M114-N117 PolarHBondContact O-N 2.89Å; M114-N117 PolarHBondContact O-OD1 3.33Å |
| 115 | S | 55.8 | Low | 62.6 | Low | 93 Ų | 93 | 108.7 Ų | 108.7 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -18.8 | 179.1 | 75.5 | 0 | 0 | 0 | 0 | 114.3 | M111 W112 S113 | M111-S115 PolarHBondContact O-N 2.84Å; W112-S115 PolarHBondContact O-N 2.86Å; W112-S115 PolarHBondContact O-OG 3.18Å; S113-S115 VanDerWaalsContact C-N 3.3Å |
| 116 | D | 54.5 | Low | 60.5 | Low | 147 Ų | 147 | 114.6 Ų | 114.6 | 79% | 0.786 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -5.1 | -179.1 | -160.6 | 31.5 | 0 | 0 | 0 | 113 | M114 | M114-D116 VanDerWaalsContact C-N 3.28Å; M114-D116 PolarHBondContact O-N 3.27Å |
| 117 | N | 50.6 | Low | 58.4 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 59% | 0.594 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -106.2 | -6.9 | -178.2 | 77.4 | 18.1 | 0 | 0 | 0 | 114.9 | M114 E119 | M114-N117 PolarHBondContact O-N 2.89Å; M114-N117 PolarHBondContact O-OD1 3.33Å; N117-E119 VanDerWaalsContact C-N 3.3Å; N117-E119 PolarHBondContact O-N 2.69Å |
| 118 | A | 50.5 | Low | 56.5 | Low | 84 Ų | 84 | 115.4 Ų | 115.4 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -82 | -5.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q120 | A118-Q120 VanDerWaalsContact C-N 3.32Å; A118-Q120 PolarHBondContact O-N 3.23Å |
| 119 | E | 45 | Very low | 54.7 | Low | 181 Ų | 181 | 120.5 Ų | 120.5 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | trans | -95.5 | 47.8 | 177.4 | -147.7 | 173.2 | 176.2 | 0 | 0 | 111.7 | N117 | N117-E119 VanDerWaalsContact C-N 3.3Å; N117-E119 PolarHBondContact O-N 2.69Å | ||
| 120 | Q | 45.8 | Very low | 53.3 | Low | 149 Ų | 149 | 117 Ų | 117 | 70% | 0.696 | 69% | 0.685 | S | S | * | * | trans | -135 | 109.1 | 160.7 | -90.8 | -65.1 | -4.4 | 0 | 0 | 109.8 | A118 S122 | A118-Q120 VanDerWaalsContact C-N 3.32Å; A118-Q120 PolarHBondContact O-N 3.23Å; Q120-S122 VanDerWaalsContact C-N 3.31Å; Q120-S122 PolarHBondContact O-N 3Å | ||
| 121 | P | 41.5 | Very low | 52.1 | Low | 104 Ų | 104 | 120.7 Ų | 120.7 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | trans | -71.6 | 92 | 169.1 | 29.6 | -30.4 | 0 | 0 | 0 | 108.2 | T123 | P121-T123 PolarHBondContact O-N 3.42Š| ||
| 122 | S | 34.5 | Very low | 51.1 | Low | 119 Ų | 119 | 122.4 Ų | 122.4 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -68.6 | 77.2 | 166.9 | -69.6 | 0 | 0 | 0 | 0 | 109.5 | Q120 S124 | Q120-S122 VanDerWaalsContact C-N 3.31Å; Q120-S122 PolarHBondContact O-N 3Å; S122-S124 PolarHBondContact O-N 3.28Å | ||
| 123 | T | 42.4 | Very low | 50.5 | Low | 128 Ų | 128 | 118.8 Ų | 118.8 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | -68.3 | 105.5 | 154.1 | 57.2 | 0 | 0 | 0 | 0 | 106.9 | P121 | P121-T123 PolarHBondContact O-N 3.42Š| ||
| 124 | S | 48.7 | Very low | 50.3 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 158.7 | 108.2 | 145.5 | 170.1 | 0 | 0 | 0 | 0 | 112 | S122 | S122-S124 PolarHBondContact O-N 3.28Š|
| 125 | S | 46.8 | Very low | 50.4 | Low | 112 Ų | 112 | 120.2 Ų | 120.2 | 78% | 0.783 | 70% | 0.699 | S | S | * | * | trans | 70.7 | 70.6 | 136.1 | -43.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 126 | Q | 49.8 | Very low | 50.5 | Low | 173 Ų | 173 | 121.1 Ų | 121.1 | 81% | 0.808 | 69% | 0.689 | S | S | * | * | trans | -142.3 | 62.2 | 154.4 | -154.6 | 178.8 | 11.5 | 0 | 0 | 111 | ||||
| 127 | A | 48.1 | Very low | 50.9 | Low | 89 Ų | 89 | 121 Ų | 121 | 74% | 0.736 | 69% | 0.687 | S | S | * | * | trans | -99.9 | 14.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 128 | A | 51.2 | Low | 51.3 | Low | 86 Ų | 86 | 122.5 Ų | 122.5 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -107.2 | -26.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 129 | E | 52.7 | Low | 51.3 | Low | 148 Ų | 148 | 125 Ų | 125 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -90.7 | -20.3 | -174.5 | -72.2 | -152.1 | 170.6 | 0 | 0 | 115.1 | H131 F132 | E129-H131 PolarHBondContact O-N 3.47Å; E129-F132 PolarHBondContact O-N 3.36Å |
| 130 | G | 54.4 | Low | 51.7 | Low | 54 Ų | 54 | 119.4 Ų | 119.4 | 56% | 0.557 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -67.8 | -19.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | S134 | G130-S134 PolarHBondContact O-N 3.05Å |
| 131 | H | 54.6 | Low | 52.1 | Low | 151 Ų | 151 | 116 Ų | 116 | 70% | 0.699 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -76.2 | -23.7 | -176.9 | -72.6 | -68.5 | 0 | 0 | 0 | 113.9 | E129 | E129-H131 PolarHBondContact O-N 3.47Å |
| 132 | F | 55.9 | Low | 52.5 | Low | 156 Ų | 156 | 116.4 Ų | 116.4 | 68% | 0.684 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -77.6 | -49.6 | 179.4 | -132.2 | -133.5 | 0 | 0 | 0 | 109.7 | E129 S134 K135 Y136 | E129-F132 PolarHBondContact O-N 3.36Å; F132-S134 VanDerWaalsContact C-N 3.34Å; F132-S134 PolarHBondContact O-N 3.48Å; F132-K135 PolarHBondContact O-N 3.27Å; F132-K135 VanDerWaalsContact O-N 3.16Å; F132-Y136 AromaticContact CD1-CZ 3.94Å; F132-Y136 WeakPolarHBondContact CD1-OH 3.33Å; F132-Y136 WeakPolarHBondContact CE1-OH 3.07Å; F132-Y136 WeakPolarHBondContact CG-OH 3.4Å; F132-Y136 WeakPolarHBondContact O-CD2 3.08Å; F132-Y136 WeakPolarHBondContact O-CE2 3.48Å; F132-Y136 PolarHBondContact O-OH 3.49Å |
| 133 | L | 61.5 | Low | 53.5 | Low | 117 Ų | 117 | 117.1 Ų | 117.1 | 61% | 0.613 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -62.4 | -35.5 | -178.5 | -72.4 | 169.4 | 0 | 0 | 0 | 114.4 | K135 Y136 L137 | L133-K135 PolarHBondContact O-N 2.92Å; L133-Y136 VanDerWaalsContact CA-CD2 3.47Å; L133-Y136 VanDerWaalsContact CA-CE2 3.42Å; L133-Y136 HydrophobicContact CD2-CD2 4.15Å; L133-Y136 HydrophobicContact CD2-CE2 4.04Å; L133-Y136 HydrophobicContact CG-CE2 4.48Å; L133-Y136 WeakPolarHBondContact O-CD2 2.86Å; L133-Y136 PolarHBondContact O-N 2.78Å; L133-L137 PolarHBondContact O-N 3.26Å |
| 134 | S | 57.8 | Low | 54 | Low | 61 Ų | 61 | 113.7 Ų | 113.7 | 43% | 0.427 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -64.5 | -26.7 | 178.8 | -169.7 | 0 | 0 | 0 | 0 | 113 | G130 F132 L138 | G130-S134 PolarHBondContact O-N 3.05Å; F132-S134 VanDerWaalsContact C-N 3.34Å; F132-S134 PolarHBondContact O-N 3.48Å; S134-L138 WeakPolarHBondContact O-CD1 3.01Å; S134-L138 PolarHBondContact O-N 3.22Å; S134-L138 WeakPolarHBondContact OG-CD1 3.17Å |
| 135 | K | 56.5 | Low | 54.2 | Low | 160 Ų | 160 | 114.3 Ų | 114.3 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.4 | -32.5 | -178.2 | -168.7 | 178.4 | 176.2 | -170.4 | 0 | 112.5 | F132 L133 D139 | F132-K135 PolarHBondContact O-N 3.27Å; F132-K135 VanDerWaalsContact O-N 3.16Å; L133-K135 PolarHBondContact O-N 2.92Å; K135-D139 PolarHBondContact O-N 3.39Å |
| 136 | Y | 58.8 | Low | 54.1 | Low | 112 Ų | 112 | 113 Ų | 113 | 44% | 0.439 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -80.7 | -24.8 | 178.9 | -31.8 | -66.9 | 0 | 0 | 0 | 113 | F132 L133 | F132-Y136 AromaticContact CD1-CZ 3.94Å; F132-Y136 WeakPolarHBondContact CD1-OH 3.33Å; F132-Y136 WeakPolarHBondContact CE1-OH 3.07Å; F132-Y136 WeakPolarHBondContact CG-OH 3.4Å; F132-Y136 WeakPolarHBondContact O-CD2 3.08Å; F132-Y136 WeakPolarHBondContact O-CE2 3.48Å; F132-Y136 PolarHBondContact O-OH 3.49Å; L133-Y136 VanDerWaalsContact CA-CD2 3.47Å; L133-Y136 VanDerWaalsContact CA-CE2 3.42Å; L133-Y136 HydrophobicContact CD2-CD2 4.15Å; L133-Y136 HydrophobicContact CD2-CE2 4.04Å; L133-Y136 HydrophobicContact CG-CE2 4.48Å; L133-Y136 WeakPolarHBondContact O-CD2 2.86Å; L133-Y136 PolarHBondContact O-N 2.78Å |
| 137 | L | 61 | Low | 54.1 | Low | 144 Ų | 144 | 113.6 Ų | 113.6 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -81 | -31 | -179.7 | -77.1 | 167.1 | 0 | 0 | 0 | 112.4 | L133 | L133-L137 PolarHBondContact O-N 3.26Å |
| 138 | L | 60.4 | Low | 54.2 | Low | 142 Ų | 142 | 116.2 Ų | 116.2 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -83.4 | -27.6 | 176.2 | -85.3 | 95 | 0 | 0 | 0 | 113.5 | S134 G140 | S134-L138 WeakPolarHBondContact O-CD1 3.01Å; S134-L138 PolarHBondContact O-N 3.22Å; S134-L138 WeakPolarHBondContact OG-CD1 3.17Å; L138-G140 PolarHBondContact O-N 3.49Å; L138-G140 VanDerWaalsContact O-N 3.17Å |
| 139 | D | 49.8 | Very low | 54.2 | Low | 137 Ų | 137 | 118.7 Ų | 118.7 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -86.4 | 82.5 | 173.7 | -161.5 | 39.3 | 0 | 0 | 0 | 108.3 | K135 G141 | K135-D139 PolarHBondContact O-N 3.39Å; D139-G141 PolarHBondContact O-N 3.01Å; D139-G141 VanDerWaalsContact O-N 3.15Å |
| 140 | G | 53.5 | Low | 54.1 | Low | 63 Ų | 63 | 122 Ų | 122 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | trans | -31.3 | 114.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L138 S142 | L138-G140 PolarHBondContact O-N 3.49Å; L138-G140 VanDerWaalsContact O-N 3.17Å; G140-S142 PolarHBondContact O-N 2.75Å | ||
| 141 | G | 53.7 | Low | 53.5 | Low | 78 Ų | 78 | 124.7 Ų | 124.7 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -49.6 | 89.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | D139 | D139-G141 PolarHBondContact O-N 3.01Å; D139-G141 VanDerWaalsContact O-N 3.15Å | ||
| 142 | S | 51.1 | Low | 53.3 | Low | 112 Ų | 112 | 124.9 Ų | 124.9 | 78% | 0.783 | 70% | 0.698 | S | S | * | * | trans | -102.7 | 75.6 | 161.3 | -172 | 0 | 0 | 0 | 0 | 107 | G140 G144 | G140-S142 PolarHBondContact O-N 2.75Å; S142-G144 PolarHBondContact O-N 3.34Å | ||
| 143 | V | 54.8 | Low | 52.7 | Low | 134 Ų | 134 | 123.4 Ų | 123.4 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | trans | -68.6 | 98.4 | 157 | 168.8 | 0 | 0 | 0 | 0 | 104.9 | V145 | V143-V145 PolarHBondContact O-N 3.05Š| ||
| 144 | G | 52.8 | Low | 52.3 | Low | 57 Ų | 57 | 123.8 Ų | 123.8 | 59% | 0.588 | 70% | 0.7 | S | S | * | * | trans | -52.9 | 107.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | S142 P146 | S142-G144 PolarHBondContact O-N 3.34Å; G144-P146 WeakPolarHBondContact O-CD 3.09Å | ||
| 145 | V | 54.2 | Low | 51.3 | Low | 114 Ų | 114 | 128.2 Ų | 128.2 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | trans | -58.5 | 126 | 162.5 | 176.3 | 0 | 0 | 0 | 0 | 106.5 | V143 Q147 | V143-V145 PolarHBondContact O-N 3.05Å; V145-Q147 PolarHBondContact O-N 3.02Å | ||
| 146 | P | 43.7 | Very low | 50.5 | Low | 86 Ų | 86 | 126.5 Ų | 126.5 | 56% | 0.558 | 72% | 0.717 | S | S | * | * | trans | -59.5 | 110.6 | 174.4 | -22.2 | 32.7 | 0 | 0 | 0 | 109.6 | G144 H148 | G144-P146 WeakPolarHBondContact O-CD 3.09Å; P146-H148 WeakPolarHBondContact CB-ND1 3.48Å; P146-H148 PolarHBondContact O-N 3.08Å | ||
| 147 | Q | 50.5 | Low | 49.4 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 18.4 | -176.1 | -65.9 | -168.6 | -4.5 | 0 | 0 | 115 | V145 | V145-Q147 PolarHBondContact O-N 3.02Š|
| 148 | H | 50.3 | Low | 48.1 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -3.7 | -179.7 | 72.3 | -86.4 | 0 | 0 | 0 | 114 | P146 | P146-H148 WeakPolarHBondContact CB-ND1 3.48Å; P146-H148 PolarHBondContact O-N 3.08Å |
| 149 | L | 50.9 | Low | 47 | Very low | 137 Ų | 137 | 125 Ų | 125 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -105 | -4.1 | 179.9 | -63.6 | 179 | 0 | 0 | 0 | 114.5 | ||
| 150 | Y | 49.7 | Very low | 46.4 | Very low | 217 Ų | 217 | 126 Ų | 126 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | trans | -113.5 | 79.8 | 173.8 | -90.7 | -90.1 | 0 | 0 | 0 | 110.5 | ||||
| 151 | S | 42.9 | Very low | 45.8 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -134.5 | 64.7 | 156.1 | -156.5 | 0 | 0 | 0 | 0 | 109.1 | H153 | S151-H153 VanDerWaalsContact C-N 3.26Å; S151-H153 PolarHBondContact O-N 3.47Å | ||
| 152 | I | 49.3 | Very low | 45.5 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | -83.3 | 88.3 | 153.8 | -59.7 | -169.3 | 0 | 0 | 0 | 105.1 | T154 | I152-T154 PolarHBondContact O-N 3.28Š| ||
| 153 | H | 43.7 | Very low | 45 | Very low | 125 Ų | 125 | 133 Ų | 133 | 58% | 0.579 | 74% | 0.742 | S | S | * | * | trans | -64 | 112.8 | 173.6 | -176.9 | 98 | 0 | 0 | 0 | 108.6 | S151 Q155 | S151-H153 VanDerWaalsContact C-N 3.26Å; S151-H153 PolarHBondContact O-N 3.47Å; H153-Q155 VanDerWaalsContact C-N 3.31Å; H153-Q155 WeakPolarHBondContact CD2-CG 3.13Å; H153-Q155 PolarHBondContact CD2-N 2.91Å; H153-Q155 VanDerWaalsContact CD2-N 3.27Å; H153-Q155 VanDerWaalsContact NE2-CG 3.26Å; H153-Q155 WeakPolarHBondContact NE2-CG 3.39Å; H153-Q155 PolarHBondContact NE2-OE1 3.15Å; H153-Q155 PolarHBondContact O-N 3.32Å | ||
| 154 | T | 52.7 | Low | 44.6 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | trans | -70.3 | 87 | 166 | 53.7 | 0 | 0 | 0 | 0 | 108.4 | I152 T156 | I152-T154 PolarHBondContact O-N 3.28Å; T154-T156 PolarHBondContact O-N 2.81Å | ||
| 155 | Q | 37.1 | Very low | 44.2 | Very low | 154 Ų | 154 | 138 Ų | 138 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | -82.9 | 99.8 | 171.4 | -106.4 | -48.1 | 23.2 | 0 | 0 | 107.7 | H153 | H153-Q155 VanDerWaalsContact C-N 3.31Å; H153-Q155 WeakPolarHBondContact CD2-CG 3.13Å; H153-Q155 PolarHBondContact CD2-N 2.91Å; H153-Q155 VanDerWaalsContact CD2-N 3.27Å; H153-Q155 VanDerWaalsContact NE2-CG 3.26Å; H153-Q155 WeakPolarHBondContact NE2-CG 3.39Å; H153-Q155 PolarHBondContact NE2-OE1 3.15Å; H153-Q155 PolarHBondContact O-N 3.32Å | ||
| 156 | T | 38.7 | Very low | 43.8 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -119.2 | 120.7 | 161.7 | -70.4 | 0 | 0 | 0 | 0 | 108.3 | T154 | T154-T156 PolarHBondContact O-N 2.81Š| ||
| 157 | Y | 37.5 | Very low | 43.6 | Very low | 227 Ų | 227 | 142.9 Ų | 142.9 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | 77.7 | 116.6 | 161 | -134.5 | -97.6 | 0 | 0 | 0 | 119.6 | ||||
| 158 | G | 33.7 | Very low | 42.9 | Very low | 69 Ų | 69 | 137.4 Ų | 137.4 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 125.7 | 104.9 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 159 | G | 36.2 | Very low | 42.1 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | 73.5 | 114.2 | 133.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 160 | D | 37.8 | Very low | 41.2 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | 68.9 | 110.1 | 140.6 | -58.9 | -14.8 | 0 | 0 | 0 | 121.6 | ||||
| 161 | S | 40.8 | Very low | 40.2 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 77.1 | 126.2 | 131.7 | -68.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 162 | L | 46.8 | Very low | 40.3 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 83.7 | 107.4 | 133.6 | -87.8 | 162.4 | 0 | 0 | 0 | 119 | ||||
| 163 | I | 40.1 | Very low | 39.9 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | 137 | 123.5 | 122.2 | -64.1 | -94.5 | 0 | 0 | 0 | 112.3 | |||||
| 164 | H | 46.8 | Very low | 40 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 151 | -179.9 | -46.8 | 141.6 | 0 | 0 | 0 | 113.5 | ||
| 165 | P | 45.7 | Very low | 39.1 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 147.6 | 162.8 | 32.8 | -29.6 | 0 | 0 | 0 | 111.9 | ||
| 166 | P | 44.9 | Very low | 38.9 | Very low | 131 Ų | 131 | 134 Ų | 134 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 157.5 | -175.8 | 34 | -33.8 | 0 | 0 | 0 | 113.8 | ||
| 167 | L | 38.7 | Very low | 38.6 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 152.1 | 179 | -178.2 | 73.8 | 0 | 0 | 0 | 112.7 | ||
| 168 | A | 36.3 | Very low | 38.4 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 59% | 0.587 | 80% | 0.799 | S | S | * | * | trans | 73.8 | 123.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 169 | N | 33.9 | Very low | 38.5 | Very low | 158 Ų | 158 | 131 Ų | 131 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | -174.5 | 109.4 | 107.6 | -84.2 | -13.8 | 0 | 0 | 0 | 110.1 | |||||
| 170 | S | 31.4 | Very low | 38.4 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | trans | -138.5 | 118.8 | 153.7 | -164.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 171 | T | 29.9 | Very low | 38 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -79.6 | 131.1 | -169.9 | -60.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 172 | L | 45.5 | Very low | 37.6 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -65.4 | 164.2 | 169.2 | -80 | 152.6 | 0 | 0 | 0 | 112.7 | ||||
| 173 | P | 39 | Very low | 36.8 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | -146.8 | -177.5 | 107.3 | 42.7 | -27.8 | 0 | 0 | 0 | 113.5 | |||||
| 174 | P | 46.1 | Very low | 36.6 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | -118.7 | 159.9 | -74.4 | 33.4 | -16.7 | 0 | 0 | 0 | 112.7 | |||||
| 175 | A | 35.2 | Very low | 36.4 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -77.7 | 145.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 176 | L | 31.3 | Very low | 35.9 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 98% | 0.979 | 80% | 0.804 | S | S | * | * | trans | -147 | 124.4 | 156 | -121.1 | 161.6 | 0 | 0 | 0 | 108.6 | ||||
| 177 | G | 32.5 | Very low | 35.7 | Very low | 75 Ų | 75 | 141.6 Ų | 141.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 121.7 | 88.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 178 | A | 34.1 | Very low | 35.6 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -54.7 | 152.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 179 | Q | 35.3 | Very low | 35.7 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | 165.9 | 93.2 | 118.1 | -157.1 | 151.1 | -88.9 | 0 | 0 | 108.9 | |||||
| 180 | R | 34.1 | Very low | 35.8 | Very low | 226 Ų | 226 | 143.2 Ų | 143.2 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | 63.3 | 113.7 | 107.6 | -80.7 | -157.7 | 178.1 | -175.8 | 1.8 | 116.7 | |||||
| 181 | V | 29.4 | Very low | 36.2 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | 80 | 129.6 | 119.5 | 176.8 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 182 | A | 31.9 | Very low | 36.6 | Very low | 86 Ų | 86 | 144 Ų | 144 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 102.6 | 105.9 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 183 | D | 31.5 | Very low | 36.4 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | trans | 27.7 | 116.3 | 130.6 | -90.8 | -66 | 0 | 0 | 0 | 121.6 | ||||
| 184 | R | 35.8 | Very low | 36.6 | Very low | 223 Ų | 223 | 140.9 Ų | 140.9 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | 61.7 | 175.1 | 132.9 | -67.1 | -167.7 | -129.7 | -129.8 | 7.5 | 120.8 | ||||
| 185 | P | 41.3 | Very low | 36.5 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | -128.8 | 174.4 | -62.3 | 38.8 | -22.4 | 0 | 0 | 0 | 112.6 | |||||
| 186 | F | 36.6 | Very low | 37.3 | Very low | 181 Ų | 181 | 143 Ų | 143 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 46.4 | 110.5 | 150.6 | -160.6 | -91.7 | 0 | 0 | 0 | 119.9 | ||||
| 187 | E | 39.8 | Very low | 38.1 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -143.7 | 125.3 | 150.1 | -82.8 | -78.4 | 123 | 0 | 0 | 109.3 | ||||
| 188 | D | 37.3 | Very low | 39 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 65% | 0.652 | 78% | 0.778 | S | S | * | * | trans | -64.8 | 141.1 | 162.7 | 164.9 | 50.2 | 0 | 0 | 0 | 110.2 | ||||
| 189 | R | 36.8 | Very low | 40.5 | Very low | 214 Ų | 214 | 146.7 Ų | 146.7 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | 162.1 | 136.9 | 142.1 | 177.7 | 161.8 | -67.3 | 173.3 | 2.6 | 114.3 | ||||
| 190 | S | 36.5 | Very low | 41.4 | Very low | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | 91.9 | 83 | 155.2 | -76 | 0 | 0 | 0 | 0 | 118.8 | A192 | S190-A192 PolarHBondContact O-N 3.28Š| ||
| 191 | M | 40.1 | Very low | 42.9 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | 7 | 99.3 | 117.4 | -159.9 | 177.2 | 78.8 | 0 | 0 | 115.2 | |||||
| 192 | A | 39.3 | Very low | 44 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -128.8 | 82.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | S190 A194 | S190-A192 PolarHBondContact O-N 3.28Å; A192-A194 PolarHBondContact O-N 3.39Å | ||
| 193 | T | 39.9 | Very low | 45 | Very low | 108 Ų | 108 | 143 Ų | 143 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | -56.8 | 113.9 | 165.3 | -46 | 0 | 0 | 0 | 0 | 107.6 | E195 | T193-E195 PolarHBondContact O-N 3.42Š| ||
| 194 | A | 44.2 | Very low | 46.1 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -72.1 | 95.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A192 A196 | A192-A194 PolarHBondContact O-N 3.39Å; A194-A196 PolarHBondContact O-N 3.16Å | ||
| 195 | E | 44.3 | Very low | 47 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -70.6 | 109.6 | 174.2 | -65.7 | -145.5 | 145.9 | 0 | 0 | 110.1 | T193 A197 | T193-E195 PolarHBondContact O-N 3.42Å; E195-A197 PolarHBondContact O-N 3.29Å | ||
| 196 | A | 50.8 | Low | 47.7 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -69.8 | 105.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | A194 V198 | A194-A196 PolarHBondContact O-N 3.16Å; A196-V198 VanDerWaalsContact C-N 3.33Å; A196-V198 PolarHBondContact O-N 3.43Å | ||
| 197 | A | 48.7 | Very low | 48.6 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -70.5 | 88 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E195 R199 | E195-A197 PolarHBondContact O-N 3.29Å; A197-R199 PolarHBondContact O-N 3.16Å | ||
| 198 | V | 51.2 | Low | 49.5 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | trans | -72.2 | 109.2 | 168.9 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | A196 H200 | A196-V198 VanDerWaalsContact C-N 3.33Å; A196-V198 PolarHBondContact O-N 3.43Å; V198-H200 PolarHBondContact O-N 3.34Å | ||
| 199 | R | 64.9 | Low | 50.8 | Low | 224 Ų | 224 | 136.6 Ų | 136.6 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -72.8 | 112.8 | 173.4 | -63.7 | -175.9 | 70.3 | 89.2 | 1.3 | 108.2 | A197 V201 | A197-R199 PolarHBondContact O-N 3.16Å; R199-V201 PolarHBondContact O-N 3.33Å | ||
| 200 | H | 54.8 | Low | 52 | Low | 166 Ų | 166 | 133.9 Ų | 133.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -59.8 | 118.9 | 165.5 | -76.3 | -113.8 | 0 | 0 | 0 | 108.7 | V198 | V198-H200 PolarHBondContact O-N 3.34Š| ||
| 201 | V | 64.8 | Low | 53.4 | Low | 133 Ų | 133 | 134.7 Ų | 134.7 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -93.4 | 109.5 | 164.3 | 169.3 | 0 | 0 | 0 | 0 | 105.6 | R199 S203 | R199-V201 PolarHBondContact O-N 3.33Å; V201-S203 PolarHBondContact O-N 3.44Å | ||
| 202 | D | 52.9 | Low | 54 | Low | 140 Ų | 140 | 135.1 Ų | 135.1 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | -67.2 | 123.9 | 175.4 | -73.2 | -39.4 | 0 | 0 | 0 | 109.8 | S204 | D202-S204 PolarHBondContact O-N 3.15Å; D202-S204 VanDerWaalsContact O-N 3.13Å | ||
| 203 | S | 53.9 | Low | 55 | Low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -53.2 | 109.9 | 172.5 | -54.2 | 0 | 0 | 0 | 0 | 111 | V201 | V201-S203 PolarHBondContact O-N 3.44Š| ||
| 204 | S | 54.1 | Low | 55.6 | Low | 117 Ų | 117 | 147.7 Ų | 147.7 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -97.2 | 92.8 | 156.3 | -71.1 | 0 | 0 | 0 | 0 | 108.2 | D202 L206 | D202-S204 PolarHBondContact O-N 3.15Å; D202-S204 VanDerWaalsContact O-N 3.13Å; S204-L206 PolarHBondContact O-N 3.17Å; S204-L206 VanDerWaalsContact O-N 3.11Å | ||
| 205 | S | 54.6 | Low | 56.2 | Low | 114 Ų | 114 | 150.2 Ų | 150.2 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -65.5 | 100 | 163.6 | -62.5 | 0 | 0 | 0 | 0 | 108.3 | S207 | S205-S207 PolarHBondContact O-N 3.19Š| ||
| 206 | L | 55.4 | Low | 56.8 | Low | 153 Ų | 153 | 148.5 Ų | 148.5 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | trans | -84.8 | 95.7 | 169.5 | -142.9 | 154.4 | 0 | 0 | 0 | 106.3 | S204 E208 | S204-L206 PolarHBondContact O-N 3.17Å; S204-L206 VanDerWaalsContact O-N 3.11Å; L206-E208 PolarHBondContact O-N 3.12Å; L206-E208 VanDerWaalsContact O-N 3.16Å | ||
| 207 | S | 56.7 | Low | 57.2 | Low | 105 Ų | 105 | 151.9 Ų | 151.9 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -68.8 | 104.9 | 171.2 | 52.7 | 0 | 0 | 0 | 0 | 108.4 | S205 D209 | S205-S207 PolarHBondContact O-N 3.19Å; S207-D209 VanDerWaalsContact C-N 3.29Å; S207-D209 PolarHBondContact O-N 2.91Å; S207-D209 VanDerWaalsContact O-N 3.16Å | ||
| 208 | E | 58.9 | Low | 57.7 | Low | 188 Ų | 188 | 155.1 Ų | 155.1 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | trans | -79.6 | 80.8 | 166.7 | 14.7 | 176.2 | 84.4 | 0 | 0 | 107.8 | L206 | L206-E208 PolarHBondContact O-N 3.12Å; L206-E208 VanDerWaalsContact O-N 3.16Å | ||
| 209 | D | 63.3 | Low | 58.1 | Low | 142 Ų | 142 | 157.5 Ų | 157.5 | 76% | 0.759 | 83% | 0.83 | S | S | * | * | trans | -143.8 | 74.3 | 174.3 | -151.6 | -23.9 | 0 | 0 | 0 | 108 | S207 | S207-D209 VanDerWaalsContact C-N 3.29Å; S207-D209 PolarHBondContact O-N 2.91Å; S207-D209 VanDerWaalsContact O-N 3.16Å | ||
| 210 | D | 63.9 | Low | 57.6 | Low | 157 Ų | 157 | 153.1 Ų | 153.1 | 84% | 0.84 | 83% | 0.829 | S | S | * | * | trans | -173 | 71.7 | 165 | -97.6 | -33.4 | 0 | 0 | 0 | 109.7 | ||||
| 211 | V | 64 | Low | 57.8 | Low | 115 Ų | 115 | 152.1 Ų | 152.1 | 70% | 0.697 | 83% | 0.833 | S | S | * | * | trans | -135.9 | 126.7 | 160.3 | -161.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 212 | F | 53.7 | Low | 57.3 | Low | 186 Ų | 186 | 153.6 Ų | 153.6 | 82% | 0.816 | 84% | 0.835 | S | S | * | * | trans | 97.1 | 63.9 | 174.5 | -45.2 | -67.3 | 0 | 0 | 0 | 117.7 | ||||
| 213 | Y | 60.1 | Low | 57.6 | Low | 226 Ų | 226 | 154.8 Ų | 154.8 | 89% | 0.886 | 84% | 0.842 | S | S | * | * | trans | -123.1 | 98.4 | 135 | -73.2 | -75.9 | 0 | 0 | 0 | 109.8 | ||||
| 214 | N | 53.3 | Low | 58 | Low | 242 Ų | 242 | 158.6 Ų | 158.6 | 100% | 1.294 | 85% | 0.847 | S | S | * | * | trans | -167 | 0 | 149.1 | -98.4 | -31.9 | 0 | 0 | 0 | 109.3 |
Retrieved 214 of 214 residues in 114.5 ms
(Link to these results)