| 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 | 46 | Very low | 47.4 | Very low | 246 Ų | 246 | 170.4 Ų | 170.4 | 100% | 1.212 | 88% | 0.884 | S | S | * | * | 0 | 97.1 | 0 | -72.8 | 178.7 | -176 | 0 | 0 | 106.6 | |||||
| 2 | E | 44.9 | Very low | 46.9 | Very low | 200 Ų | 200 | 162.2 Ų | 162.2 | 94% | 0.935 | 87% | 0.872 | S | S | * | * | trans | -82.6 | 125.3 | -161.6 | -151.3 | 179.5 | 141.2 | 0 | 0 | 110.5 | ||||
| 3 | Q | 47.6 | Very low | 47.4 | Very low | 194 Ų | 194 | 167.7 Ų | 167.7 | 91% | 0.907 | 87% | 0.873 | S | S | * | * | trans | -80.1 | 118.3 | 179.6 | -67.6 | -170.1 | 17.6 | 0 | 0 | 110.4 | G5 | Q3-G5 PolarHBondContact O-N 3.44Š| ||
| 4 | G | 44.1 | Very low | 47.7 | Very low | 79 Ų | 79 | 172.5 Ų | 172.5 | 81% | 0.814 | 87% | 0.874 | S | S | * | * | trans | -77.5 | 106.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 5 | G | 53.6 | Low | 47.7 | Very low | 74 Ų | 74 | 174.1 Ų | 174.1 | 76% | 0.763 | 87% | 0.873 | S | S | * | * | trans | -82 | 112.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q3 K7 | Q3-G5 PolarHBondContact O-N 3.44Å; G5-K7 PolarHBondContact O-N 3.36Å | ||
| 6 | N | 47.8 | Very low | 47.8 | Very low | 164 Ų | 164 | 170.4 Ų | 170.4 | 88% | 0.877 | 86% | 0.857 | S | S | * | * | trans | -72.9 | 105 | 171 | -85 | -34.7 | 0 | 0 | 0 | 111.1 | V8 | N6-V8 PolarHBondContact O-N 3.37Š| ||
| 7 | K | 50.9 | Low | 48.2 | Very low | 208 Ų | 208 | 168.6 Ų | 168.6 | 90% | 0.904 | 85% | 0.848 | S | S | * | * | trans | -88.3 | 97.9 | 176.1 | -159.6 | 169.1 | -172.3 | 170.7 | 0 | 110.4 | G5 K9 | G5-K7 PolarHBondContact O-N 3.36Å; K7-K9 PolarHBondContact O-N 3.42Å | ||
| 8 | V | 47.8 | Very low | 48.3 | Very low | 125 Ų | 125 | 164.1 Ų | 164.1 | 76% | 0.758 | 83% | 0.834 | S | S | * | * | trans | -68.9 | 111.5 | 172.4 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | N6 L10 | N6-V8 PolarHBondContact O-N 3.37Å; V8-L10 PolarHBondContact O-N 3.24Å | ||
| 9 | K | 47.5 | Very low | 48.6 | Very low | 187 Ų | 187 | 160.2 Ų | 160.2 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | -84.1 | 89.5 | 178.1 | -166.1 | 162.3 | -173.6 | 167.6 | 0 | 109.9 | K7 R11 | K7-K9 PolarHBondContact O-N 3.42Å; K9-R11 PolarHBondContact O-N 3.25Å | ||
| 10 | L | 45.5 | Very low | 48.8 | Very low | 163 Ų | 163 | 159.5 Ų | 159.5 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -65.2 | 101.6 | 166.3 | -75.9 | 167.1 | 0 | 0 | 0 | 109.1 | V8 G12 | V8-L10 PolarHBondContact O-N 3.24Å; L10-G12 PolarHBondContact O-N 2.84Å | ||
| 11 | R | 45.4 | Very low | 49 | Very low | 234 Ų | 234 | 157.1 Ų | 157.1 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -71.9 | 93.5 | 167.8 | -105.6 | 179.4 | 166.3 | 176.6 | -3.4 | 108.4 | K9 R13 | K9-R11 PolarHBondContact O-N 3.25Å; R11-R13 PolarHBondContact O-N 3.5Å | ||
| 12 | G | 42.1 | Very low | 49.5 | Very low | 72 Ų | 72 | 149.2 Ų | 149.2 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -60.4 | 121.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L10 R14 | L10-G12 PolarHBondContact O-N 2.84Å; G12-R14 PolarHBondContact O-N 3.22Å | ||
| 13 | R | 53.5 | Low | 50 | Low | 234 Ų | 234 | 147.8 Ų | 147.8 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -73.9 | 109.1 | 163.3 | -91.8 | 178.5 | -93.2 | -178.2 | -6.2 | 107.1 | R11 F15 | R11-R13 PolarHBondContact O-N 3.5Å; R13-F15 PolarHBondContact O-N 3.05Å | ||
| 14 | R | 51.2 | Low | 50.2 | Low | 235 Ų | 235 | 143.3 Ų | 143.3 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | -61.3 | 122.9 | 165.5 | -81.5 | -176.3 | -173.8 | 160.4 | 1.2 | 107.9 | G12 D16 | G12-R14 PolarHBondContact O-N 3.22Å; R14-D16 PolarHBondContact O-N 3.33Å | ||
| 15 | F | 47.4 | Very low | 50.6 | Low | 197 Ų | 197 | 142.1 Ų | 142.1 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | -77.6 | 107.1 | 167.2 | -92.3 | -95.8 | 0 | 0 | 0 | 107.7 | R13 | R13-F15 PolarHBondContact O-N 3.05Š| ||
| 16 | D | 50 | Low | 50.5 | Low | 114 Ų | 114 | 140.9 Ų | 140.9 | 61% | 0.61 | 70% | 0.703 | S | S | * | * | trans | -82.9 | 120.3 | 167.7 | -85.9 | -49.6 | 0 | 0 | 0 | 109.3 | R14 C18 S19 | R14-D16 PolarHBondContact O-N 3.33Å; D16-C18 PolarHBondContact O-N 3.05Å; D16-C18 VanDerWaalsContact O-N 3.12Å; D16-S19 WeakPolarHBondContact O-CB 3.32Å; D16-S19 PolarHBondContact O-N 3.36Å; D16-S19 PolarHBondContact O-OG 2.69Å | ||
| 17 | I | 54.7 | Low | 50.5 | Low | 140 Ų | 140 | 135.9 Ų | 135.9 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -54.4 | -28.8 | 176.1 | -90.6 | 165.8 | 0 | 0 | 0 | 112 | S19 M20 | I17-S19 PolarHBondContact O-N 3.43Å; I17-M20 WeakPolarHBondContact O-CB 3.39Å; I17-M20 PolarHBondContact O-N 3.42Å |
| 18 | C | 48.8 | Very low | 50.2 | Low | 87 Ų | 87 | 133.5 Ų | 133.5 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -64.4 | -20.2 | 175.4 | -65.9 | 0 | 0 | 0 | 0 | 113.8 | D16 M20 V25 | D16-C18 PolarHBondContact O-N 3.05Å; D16-C18 VanDerWaalsContact O-N 3.12Å; C18-M20 PolarHBondContact O-N 3.31Å; C18-V25 HydrophobicContact CB-CG2 4.25Å |
| 19 | S | 55.2 | Low | 50.3 | Low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -74.4 | -12.6 | 174.2 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | D16 I17 | D16-S19 WeakPolarHBondContact O-CB 3.32Å; D16-S19 PolarHBondContact O-N 3.36Å; D16-S19 PolarHBondContact O-OG 2.69Å; I17-S19 PolarHBondContact O-N 3.43Å |
| 20 | M | 52.9 | Low | 50.1 | Low | 145 Ų | 145 | 129.5 Ų | 129.5 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -91.3 | -19 | -177 | -159.7 | 158.8 | 166.2 | 0 | 0 | 112.8 | I17 C18 | I17-M20 WeakPolarHBondContact O-CB 3.39Å; I17-M20 PolarHBondContact O-N 3.42Å; C18-M20 PolarHBondContact O-N 3.31Å |
| 21 | F | 52 | Low | 49.8 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 49% | 0.487 | 65% | 0.646 | S | S | . | * | trans | -133.8 | 71.4 | -176.9 | -60.9 | -80.1 | 0 | 0 | 0 | 112.5 | E23 I24 | F21-E23 PolarHBondContact O-N 3.43Å; F21-I24 HydrophobicContact CB-CB 4.26Å; F21-I24 HydrophobicContact CB-CD1 3.77Å; F21-I24 HydrophobicContact CB-CG1 4.05Å; F21-I24 HydrophobicContact CD1-CD1 4.17Å; F21-I24 HydrophobicContact CG-CD1 4.03Å; F21-I24 PolarHBondContact O-N 3.5Å | ||
| 22 | P | 57 | Low | 49.4 | Very low | 80 Ų | 80 | 123.9 Ų | 123.9 | 52% | 0.519 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.3 | -25.2 | -179.9 | 24 | -31.8 | 0 | 0 | 0 | 113.5 | I24 V25 A26 | P22-I24 VanDerWaalsContact C-N 3.32Å; P22-I24 PolarHBondContact O-N 2.93Å; P22-V25 PolarHBondContact O-N 2.89Å; P22-A26 WeakPolarHBondContact O-CB 3.42Å; P22-A26 PolarHBondContact O-N 3.12Å |
| 23 | E | 54.2 | Low | 49.3 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 79% | 0.794 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64 | -34.6 | 174.1 | -83 | -168.3 | 151.6 | 0 | 0 | 113 | F21 A27 | F21-E23 PolarHBondContact O-N 3.43Å; E23-A27 WeakPolarHBondContact O-CB 3.34Å; E23-A27 PolarHBondContact O-N 3.16Å; E23-A27 VanDerWaalsContact O-N 3.15Å |
| 24 | I | 52.2 | Low | 48.8 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 51% | 0.513 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -78.2 | -29.8 | -177.6 | -58 | 177.3 | 0 | 0 | 0 | 111 | F21 P22 | F21-I24 HydrophobicContact CB-CB 4.26Å; F21-I24 HydrophobicContact CB-CD1 3.77Å; F21-I24 HydrophobicContact CB-CG1 4.05Å; F21-I24 HydrophobicContact CD1-CD1 4.17Å; F21-I24 HydrophobicContact CG-CD1 4.03Å; F21-I24 PolarHBondContact O-N 3.5Å; P22-I24 VanDerWaalsContact C-N 3.32Å; P22-I24 PolarHBondContact O-N 2.93Å |
| 25 | V | 53.8 | Low | 48.3 | Very low | 53 Ų | 53 | 113.5 Ų | 113.5 | 32% | 0.321 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77.2 | -41.8 | 175.8 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | C18 P22 A27 K28 E29 | C18-V25 HydrophobicContact CB-CG2 4.25Å; P22-V25 PolarHBondContact O-N 2.89Å; V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 3.41Å; V25-K28 PolarHBondContact O-N 3.21Å; V25-K28 VanDerWaalsContact O-N 3.13Å; V25-E29 PolarHBondContact O-N 3.31Å; V25-E29 VanDerWaalsContact O-N 3.14Å |
| 26 | A | 51.3 | Low | 47.9 | Very low | 49 Ų | 49 | 112.1 Ų | 112.1 | 41% | 0.405 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.5 | -36.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P22 K28 E29 C30 | P22-A26 WeakPolarHBondContact O-CB 3.42Å; P22-A26 PolarHBondContact O-N 3.12Å; A26-K28 VanDerWaalsContact C-N 3.3Å; A26-K28 PolarHBondContact O-N 3.15Å; A26-E29 PolarHBondContact O-N 3.48Å; A26-C30 WeakPolarHBondContact O-CB 3.22Å; A26-C30 PolarHBondContact O-N 3.36Å; A26-C30 PolarHBondContact O-SG 3Å |
| 27 | A | 46.9 | Very low | 47.4 | Very low | 58 Ų | 58 | 112.2 Ų | 112.2 | 48% | 0.479 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.9 | -29.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E23 V25 C31 | E23-A27 WeakPolarHBondContact O-CB 3.34Å; E23-A27 PolarHBondContact O-N 3.16Å; E23-A27 VanDerWaalsContact O-N 3.15Å; V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 3.41Å; A27-C31 PolarHBondContact O-SG 3.4Å |
| 28 | K | 45.8 | Very low | 46.5 | Very low | 158 Ų | 158 | 110.8 Ų | 110.8 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.3 | -31.1 | 176 | -73.4 | -176.8 | 174.5 | -177.5 | 0 | 112.9 | V25 A26 | V25-K28 PolarHBondContact O-N 3.21Å; V25-K28 VanDerWaalsContact O-N 3.13Å; A26-K28 VanDerWaalsContact C-N 3.3Å; A26-K28 PolarHBondContact O-N 3.15Å |
| 29 | E | 48.6 | Very low | 46 | Very low | 137 Ų | 137 | 116.9 Ų | 116.9 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -78 | -31.3 | 176.2 | -69.4 | -178.7 | 176.1 | 0 | 0 | 112.4 | V25 A26 C31 Y32 | V25-E29 PolarHBondContact O-N 3.31Å; V25-E29 VanDerWaalsContact O-N 3.14Å; A26-E29 PolarHBondContact O-N 3.48Å; E29-C31 VanDerWaalsContact C-N 3.26Å; E29-C31 PolarHBondContact O-N 3.14Å; E29-Y32 PolarHBondContact O-N 3.09Å |
| 30 | C | 43.1 | Very low | 45.4 | Very low | 92 Ų | 92 | 117.3 Ų | 117.3 | 62% | 0.622 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.3 | -22.8 | 173.4 | -72.7 | 0 | 0 | 0 | 0 | 113.7 | A26 S34 | A26-C30 WeakPolarHBondContact O-CB 3.22Å; A26-C30 PolarHBondContact O-N 3.36Å; A26-C30 PolarHBondContact O-SG 3Å; C30-S34 PolarHBondContact O-OG 2.77Å |
| 31 | C | 38.9 | Very low | 44.9 | Very low | 84 Ų | 84 | 116.7 Ų | 116.7 | 57% | 0.568 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -87.7 | -16.6 | 173.1 | -64.9 | 0 | 0 | 0 | 0 | 113 | A27 E29 | A27-C31 PolarHBondContact O-SG 3.4Å; E29-C31 VanDerWaalsContact C-N 3.26Å; E29-C31 PolarHBondContact O-N 3.14Å |
| 32 | Y | 36.9 | Very low | 44.1 | Very low | 194 Ų | 194 | 118.2 Ų | 118.2 | 76% | 0.761 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.6 | -19 | -176.2 | -164.1 | -104.1 | 0 | 0 | 0 | 113.8 | E29 | E29-Y32 PolarHBondContact O-N 3.09Å |
| 33 | S | 40.7 | Very low | 43.7 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -94.3 | -12.3 | -178.6 | -140.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 34 | S | 43.6 | Very low | 43.2 | Very low | 89 Ų | 89 | 120.7 Ų | 120.7 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -92.6 | -15.6 | -174.3 | -53 | 0 | 0 | 0 | 0 | 113.9 | C30 | C30-S34 PolarHBondContact O-OG 2.77Š|
| 35 | D | 40.6 | Very low | 42.7 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 66% | 0.663 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -99.2 | 8 | -170.3 | -76.6 | -21 | 0 | 0 | 0 | 115.2 | ||
| 36 | M | 39.7 | Very low | 42.2 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 83% | 0.833 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -103.3 | 13.8 | -178.5 | -72.5 | -70.1 | 147.1 | 0 | 0 | 114.7 | ||
| 37 | S | 39.3 | Very low | 41.6 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -133.2 | 52.7 | -178 | -172.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 38 | S | 35.5 | Very low | 41.8 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -156.8 | 72 | 168 | 49.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 39 | K | 37.4 | Very low | 41.6 | Very low | 215 Ų | 215 | 140.7 Ų | 140.7 | 94% | 0.935 | 74% | 0.743 | S | S | * | * | trans | -138.9 | 87.9 | 166.9 | -164.3 | 170.3 | -171.3 | 174.7 | 0 | 110.5 | ||||
| 40 | S | 42.5 | Very low | 41.6 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -162.2 | 112.5 | 149.8 | -165.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 41 | T | 43.5 | Very low | 42 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 61 | 99.9 | 142.3 | 57.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 42 | N | 34.9 | Very low | 42.9 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -93 | 119.2 | 157.7 | 179.6 | 13.6 | 0 | 0 | 0 | 107.9 | ||||
| 43 | E | 48.4 | Very low | 44.2 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | -144.7 | 83.9 | 163.8 | -159.3 | 81 | -162 | 0 | 0 | 108.7 | ||||
| 44 | E | 43 | Very low | 44.8 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 54% | 0.542 | 77% | 0.766 | S | S | . | * | trans | 32.2 | 111.7 | 133.8 | -161.2 | 69.5 | -179.5 | 0 | 0 | 120.2 | ||||
| 45 | R | 42.4 | Very low | 45.2 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 72.7 | 130.7 | 131.5 | -160.6 | -178.6 | -75.7 | -111.6 | 2.3 | 117.3 | ||||
| 46 | R | 43 | Very low | 45.9 | Very low | 219 Ų | 219 | 140.8 Ų | 140.8 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | cis | -167.5 | 165.8 | 31.9 | -134.8 | 174.3 | 170.9 | -172 | -3.4 | 109.3 | ||||
| 47 | P | 38.4 | Very low | 46.3 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -108.9 | -168.5 | -165.9 | 39.6 | -27.4 | 0 | 0 | 0 | 115.4 | ||||
| 48 | V | 51 | Low | 46.7 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 87.1 | 133.7 | 177.9 | -114.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 49 | E | 43 | Very low | 47.4 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | cis | -161.8 | 169.5 | 18.9 | -160.7 | 169.5 | 179.6 | 0 | 0 | 111.9 | ||||
| 50 | V | 48.4 | Very low | 48.1 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | -62.5 | 148.2 | -170.7 | 168.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 51 | S | 50.9 | Low | 48.6 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -179.8 | 147.6 | 131 | -76.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 52 | D | 57.4 | Low | 48.7 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -82.7 | 170.4 | -151.7 | -66.2 | -63.3 | 0 | 0 | 0 | 119.5 | ||||
| 53 | P | 64.4 | Low | 49.2 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -98.6 | 177.1 | -176.6 | 39.6 | -32.3 | 0 | 0 | 0 | 114.1 | ||||
| 54 | P | 54.1 | Low | 49.2 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | -155.4 | 142.4 | 114.2 | 34.7 | -14.6 | 0 | 0 | 0 | 118.3 | |||||
| 55 | A | 52.3 | Low | 49.8 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | 45.2 | 157 | 125.8 | 0 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 56 | P | 54.1 | Low | 50.2 | Low | 121 Ų | 121 | 121.5 Ų | 121.5 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -118.4 | 177.2 | -146.6 | 43.2 | -30.9 | 0 | 0 | 0 | 115.5 | ||||
| 57 | S | 47.4 | Very low | 50.5 | Low | 105 Ų | 105 | 114.6 Ų | 114.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -179.5 | 143.1 | 149 | 38.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 58 | S | 48.6 | Very low | 51.1 | Low | 107 Ų | 107 | 114.8 Ų | 114.8 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 61.4 | 144.6 | 144 | 60.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 59 | S | 50.8 | Low | 50.9 | Low | 94 Ų | 94 | 116.3 Ų | 116.3 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | cis | 175.9 | 159 | 6.5 | 38.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 60 | S | 51.1 | Low | 51.2 | Low | 104 Ų | 104 | 116.3 Ų | 116.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 63.2 | 148 | 148.4 | 61.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 61 | S | 53.2 | Low | 50.9 | Low | 120 Ų | 120 | 116 Ų | 116 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | cis | -179.4 | 152.8 | -4.6 | -92.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 62 | G | 45.1 | Very low | 50.8 | Low | 84 Ų | 84 | 117.4 Ų | 117.4 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | 116.4 | 125.5 | 135.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 63 | G | 45.8 | Very low | 50 | Low | 65 Ų | 65 | 118.7 Ų | 118.7 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | 110.9 | 89.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 64 | N | 49.3 | Very low | 49.2 | Very low | 149 Ų | 149 | 120.4 Ų | 120.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | 53.5 | 129.3 | 76.9 | -59.4 | -3 | 0 | 0 | 0 | 111.2 | |||||
| 65 | N | 55.1 | Low | 48.7 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | cis | -177.9 | 157.1 | 27.7 | -115.7 | -11.6 | 0 | 0 | 0 | 110 | ||||
| 66 | S | 51.5 | Low | 48.1 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | 75.7 | 106 | 142.9 | -52.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 67 | G | 48.8 | Very low | 47.5 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | 88 | 151.2 | 100.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 68 | P | 50.6 | Low | 46.9 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -115 | 169.5 | -135.5 | 39.3 | -27.2 | 0 | 0 | 0 | 114.6 | ||||
| 69 | D | 46.1 | Very low | 46.8 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | 172.3 | 145.1 | 133.1 | -87.4 | -27.7 | 0 | 0 | 0 | 112.9 | ||||
| 70 | Q | 49.2 | Very low | 46.6 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -93.6 | -164.1 | -177.4 | -57.1 | -174.3 | 29.6 | 0 | 0 | 112.4 | ||||
| 71 | P | 43.1 | Very low | 46.1 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | -126.3 | 157.9 | -89.9 | 38.3 | -20.3 | 0 | 0 | 0 | 113 | |||||
| 72 | V | 48.2 | Very low | 46.1 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -148.8 | 136.4 | 165.1 | -143.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 73 | E | 41.6 | Very low | 46.2 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -64.3 | 160.7 | 176.9 | -62.6 | 170.8 | 136.7 | 0 | 0 | 113.3 | ||||
| 74 | I | 47 | Very low | 46.1 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | 160.7 | 109.2 | 125.6 | -76.9 | 156.9 | 0 | 0 | 0 | 111 | |||||
| 75 | E | 43 | Very low | 46.2 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | 42.5 | 123.7 | 131.6 | -56.4 | -158.5 | 115.7 | 0 | 0 | 124.2 | ||||
| 76 | Q | 39.7 | Very low | 46 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | 65 | 123.1 | 125.6 | -58.8 | 179.3 | 23.3 | 0 | 0 | 120 | |||||
| 77 | K | 42 | Very low | 45.9 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | 146.5 | 118.4 | 101.5 | -156.7 | -179.6 | 172.1 | 175.7 | 0 | 112.7 | |||||
| 78 | T | 35.7 | Very low | 46 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | trans | 53.2 | 142.1 | 144.5 | 63.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 79 | S | 46 | Very low | 45.8 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | cis | -177.9 | 136.6 | 31.6 | 30.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 80 | E | 46.9 | Very low | 45.6 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | 65.2 | 120.4 | 130.8 | -65.8 | -169.4 | -175.9 | 0 | 0 | 122.9 | ||||
| 81 | T | 40.7 | Very low | 45.3 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | 106.4 | 96.5 | 117.8 | -71.5 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 82 | L | 53.8 | Low | 45.3 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 71% | 0.707 | 77% | 0.773 | S | S | * | * | 115.5 | 127.1 | 125 | -70.8 | 171.9 | 0 | 0 | 0 | 121.8 | |||||
| 83 | K | 46 | Very low | 45.1 | Very low | 185 Ų | 185 | 148.6 Ų | 148.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 72.1 | 137.2 | 148.4 | -66.7 | 164.3 | 178.2 | 179.2 | 0 | 116.2 | ||||
| 84 | S | 43.3 | Very low | 44.9 | Very low | 89 Ų | 89 | 145.4 Ų | 145.4 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | cis | -176.4 | 172.1 | 3.1 | 43.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 85 | N | 52 | Low | 44.9 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | 87.2 | 142 | 171.6 | -40.7 | -23.1 | 0 | 0 | 0 | 113.5 | ||||
| 86 | D | 51.8 | Low | 45.3 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | cis | -177.7 | 151 | -9.4 | -169.9 | 21.1 | 0 | 0 | 0 | 104.4 | ||||
| 87 | D | 48.8 | Very low | 46 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 54.3 | 98.2 | 162.3 | -83.8 | -56.7 | 0 | 0 | 0 | 123.3 | ||||
| 88 | S | 51.4 | Low | 46.8 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | 174.9 | 122.5 | 126.6 | -111.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 89 | P | 44.9 | Very low | 48.6 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -100.9 | 105.5 | 173.7 | 35.1 | -24.3 | 0 | 0 | 0 | 111.2 | ||||
| 90 | S | 42.9 | Very low | 50.4 | Low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -146.1 | 53.5 | 162.2 | 61 | 0 | 0 | 0 | 0 | 112.5 | Q92 | S90-Q92 VanDerWaalsContact C-N 3.27Å; S90-Q92 PolarHBondContact O-N 3.28Å | ||
| 91 | R | 43 | Very low | 52.5 | Low | 240 Ų | 240 | 137.5 Ų | 137.5 | 91% | 0.906 | 74% | 0.737 | S | S | * | * | trans | -71.1 | 83.9 | 158.9 | -77 | -178.1 | 175.9 | -129.9 | 0.5 | 109.3 | E93 | R91-E93 VanDerWaalsContact C-N 3.3Š| ||
| 92 | Q | 43 | Very low | 54.8 | Low | 195 Ų | 195 | 133 Ų | 133 | 91% | 0.911 | 71% | 0.709 | S | S | * | * | trans | -94.9 | 60 | 161.5 | -76.5 | -174.6 | -31.9 | 0 | 0 | 109.5 | S90 | S90-Q92 VanDerWaalsContact C-N 3.27Å; S90-Q92 PolarHBondContact O-N 3.28Å | ||
| 93 | E | 42.6 | Very low | 56.5 | Low | 185 Ų | 185 | 131.6 Ų | 131.6 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | trans | -147.1 | 64.5 | 176.3 | -159.9 | 176.6 | -157.9 | 0 | 0 | 108.5 | R91 | R91-E93 VanDerWaalsContact C-N 3.3Š| ||
| 94 | S | 39.2 | Very low | 58.7 | Low | 108 Ų | 108 | 125.5 Ų | 125.5 | 76% | 0.755 | 68% | 0.682 | S | S | * | * | trans | -161.5 | 64.4 | 176 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 95 | A | 47.1 | Very low | 61.1 | Low | 86 Ų | 86 | 123.1 Ų | 123.1 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | trans | -161.2 | 49.9 | 150 | 0 | 0 | 0 | 0 | 0 | 110.1 | S97 | A95-S97 PolarHBondContact O-N 3.39Å; A95-S97 PolarHBondContact O-OG 3.05Å | ||
| 96 | E | 50.8 | Low | 63.2 | Low | 154 Ų | 154 | 118.7 Ų | 118.7 | 72% | 0.72 | 64% | 0.637 | S | S | * | * | trans | -69.5 | 64.7 | 154 | -160.3 | 90.9 | -131 | 0 | 0 | 106.8 | K98 | E96-K98 PolarHBondContact O-N 2.57Š| ||
| 97 | S | 54.6 | Low | 65.2 | Low | 96 Ų | 96 | 113.8 Ų | 113.8 | 67% | 0.671 | 61% | 0.611 | S | S | * | * | trans | -67 | 83.9 | 170.4 | 40 | 0 | 0 | 0 | 0 | 106.3 | A95 C99 | A95-S97 PolarHBondContact O-N 3.39Å; A95-S97 PolarHBondContact O-OG 3.05Å; S97-C99 PolarHBondContact O-N 2.77Å | ||
| 98 | K | 58.7 | Low | 67.4 | Low | 194 Ų | 194 | 107.3 Ų | 107.3 | 84% | 0.843 | 58% | 0.576 | S | S | * | * | trans | 4.3 | 88.2 | 175 | -70.5 | 174.5 | -179.1 | 177 | 0 | 110.5 | E96 E100 | E96-K98 PolarHBondContact O-N 2.57Å; K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 PolarHBondContact O-N 2.95Å | ||
| 99 | C | 73 | Confident | 69.5 | Low | 47 Ų | 47 | 101.8 Ų | 101.8 | 32% | 0.318 | 54% | 0.538 | S | S | . | . | trans | -57.6 | 95.4 | -175 | -71.5 | 0 | 0 | 0 | 0 | 108.1 | S97 Y137 | S97-C99 PolarHBondContact O-N 2.77Å; C99-Y137 HydrophobicContact CB-CD2 4.36Å; C99-Y137 WeakPolarHBondContact O-CD2 3.09Å | ||
| 100 | E | 84.9 | Confident | 72 | Confident | 173 Ų | 173 | 95.8 Ų | 95.8 | 81% | 0.808 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 144.9 | -178.5 | -170.5 | 175.2 | 174.3 | 0 | 0 | 108.1 | K98 P102 | K98-E100 VanDerWaalsContact C-N 3.26Å; K98-E100 PolarHBondContact O-N 2.95Å; E100-P102 VanDerWaalsContact O-CD 3.28Å; E100-P102 WeakPolarHBondContact O-CD 3.35Å; E100-P102 VanDerWaalsContact O-N 3.16Å |
| 101 | K | 89.2 | Confident | 74.4 | Confident | 112 Ų | 112 | 90.8 Ų | 90.8 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 121.3 | 176.7 | -178.8 | 174.4 | 177.6 | 178.7 | 0 | 109.4 | Y137 | K101-Y137 HydrophobicContact CB-CD1 4.16Å; K101-Y137 HydrophobicContact CB-CE1 3.68Å; K101-Y137 HydrophobicContact CB-CE2 4.21Å; K101-Y137 HydrophobicContact CD-CE1 4.18Å; K101-Y137 HydrophobicContact CG-CD1 4.2Å; K101-Y137 HydrophobicContact CG-CE1 3.64Å |
| 102 | P | 89.4 | Confident | 76.9 | Confident | 15 Ų | 15 | 80.8 Ų | 80.8 | 10% | 0.097 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 144.1 | 178.6 | -23.9 | 33 | 0 | 0 | 0 | 111 | E100 F104 F135 Y138 | E100-P102 VanDerWaalsContact O-CD 3.28Å; E100-P102 WeakPolarHBondContact O-CD 3.35Å; E100-P102 VanDerWaalsContact O-N 3.16Å; P102-F104 HydrophobicContact CB-CD2 3.88Å; P102-F104 PolarHBondContact O-N 3.5Å; P102-F135 HydrophobicContact CB-CD1 3.73Å; P102-F135 HydrophobicContact CB-CE1 3.88Å; P102-F135 HydrophobicContact CB-CG 4.36Å; P102-F135 HydrophobicContact CG-CB 3.83Å; P102-F135 HydrophobicContact CG-CD1 3.28Å; P102-F135 HydrophobicContact CG-CE1 3.98Å; P102-F135 HydrophobicContact CG-CG 3.66Å; P102-Y138 HydrophobicContact CG-CE2 4.01Å |
| 103 | P | 89.4 | Confident | 79.5 | Confident | 105 Ų | 105 | 71.5 Ų | 71.5 | 68% | 0.682 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -74.4 | 31.1 | -178.7 | 32.9 | -37.4 | 0 | 0 | 0 | 112.8 | G191 | P103-G191 VanDerWaalsContact O-CA 3.22Å; P103-G191 WeakPolarHBondContact O-CA 3.35Å |
| 104 | F | 92.1 | Very high | 82.1 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 25% | 0.254 | 34% | 0.344 | S | S | . | . | trans | -109.7 | 136.3 | -178.6 | -62.3 | -64.1 | 0 | 0 | 0 | 111.7 | P102 A108 L109 F135 I186 | P102-F104 HydrophobicContact CB-CD2 3.88Å; P102-F104 PolarHBondContact O-N 3.5Å; F104-A108 HydrophobicContact CB-CB 4.35Å; F104-L109 HydrophobicContact CB-CD2 3.81Å; F104-L109 HydrophobicContact CB-CG 4.05Å; F104-L109 HydrophobicContact CD2-CD2 4.34Å; F104-L109 HydrophobicContact CG-CD2 4.39Å; F104-F135 AromaticContact CD2-CE1 3.94Å; F104-F135 HydrophobicContact CD2-CE1 3.94Å; F104-F135 AromaticContact CD2-CZ 3.71Å; F104-F135 HydrophobicContact CD2-CZ 3.71Å; F104-F135 AromaticContact CE2-CE1 3.91Å; F104-F135 HydrophobicContact CE2-CE1 3.91Å; F104-F135 AromaticContact CE2-CZ 3.81Å; F104-F135 HydrophobicContact CE2-CZ 3.81Å; F104-I186 HydrophobicContact CD1-CG2 3.94Å; F104-I186 HydrophobicContact CE1-CG2 3.89Å | ||
| 105 | S | 93.9 | Very high | 84.7 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | trans | -68.7 | 154.3 | 168.2 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | N107 A108 L109 G191 | S105-N107 PolarHBondContact O-N 2.83Å; S105-A108 WeakPolarHBondContact O-CA 3.22Å; S105-A108 WeakPolarHBondContact O-CB 3.28Å; S105-A108 PolarHBondContact O-N 3.3Å; S105-A108 PolarHBondContact OG-N 2.8Å; S105-L109 PolarHBondContact O-N 3.41Å; S105-G191 PolarHBondContact N-O 3.19Å; S105-G191 PolarHBondContact OG-O 2.71Å | ||
| 106 | Y | 95.8 | Very high | 87 | Confident | 64 Ų | 64 | 62 Ų | 62 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.4 | -38.1 | 175.9 | -65.9 | -57.8 | 0 | 0 | 0 | 112.9 | A108 L109 I110 Y138 W145 S148 I149 N152 | Y106-A108 VanDerWaalsContact C-N 3.32Å; Y106-A108 PolarHBondContact O-N 3.34Å; Y106-L109 HydrophobicContact CD1-CD1 4.14Å; Y106-L109 PolarHBondContact O-N 2.89Å; Y106-I110 VanDerWaalsContact O-CG1 3.28Å; Y106-I110 WeakPolarHBondContact O-CG1 3.28Å; Y106-I110 PolarHBondContact O-N 2.99Å; Y106-Y138 HydrophobicContact CE1-CE1 4.19Å; Y106-W145 HydrophobicContact CE1-CB 4.34Å; Y106-S148 WeakPolarHBondContact CE1-OG 3.07Å; Y106-S148 VanDerWaalsContact CE2-OG 3.28Å; Y106-S148 WeakPolarHBondContact CE2-OG 3.27Å; Y106-I149 HydrophobicContact CD1-CD1 3.83Å; Y106-I149 HydrophobicContact CG-CD1 4.35Å; Y106-N152 WeakPolarHBondContact CB-ND2 3.23Å |
| 107 | N | 95.1 | Very high | 89.1 | Confident | 35 Ų | 35 | 55 Ų | 55 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 173.1 | -71.9 | -32.9 | 0 | 0 | 0 | 112.6 | S105 M111 N152 N156 F159 | S105-N107 PolarHBondContact O-N 2.83Å; N107-M111 WeakPolarHBondContact O-CB 3.01Å; N107-M111 PolarHBondContact O-N 3.23Å; N107-N152 PolarHBondContact OD1-OD1 3.23Å; N107-N156 PolarHBondContact ND2-OD1 2.89Å; N107-N156 PolarHBondContact OD1-ND2 3.34Å; N107-F159 HydrophobicContact CB-CE2 4.49Å |
| 108 | A | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F104 S105 Y106 M111 M112 I186 G191 | F104-A108 HydrophobicContact CB-CB 4.35Å; S105-A108 WeakPolarHBondContact O-CA 3.22Å; S105-A108 WeakPolarHBondContact O-CB 3.28Å; S105-A108 PolarHBondContact O-N 3.3Å; S105-A108 PolarHBondContact OG-N 2.8Å; Y106-A108 VanDerWaalsContact C-N 3.32Å; Y106-A108 PolarHBondContact O-N 3.34Å; A108-M111 PolarHBondContact O-N 2.97Å; A108-M112 VanDerWaalsContact O-CB 3.31Å; A108-M112 WeakPolarHBondContact O-CB 3.15Å; A108-M112 PolarHBondContact O-N 3.34Å; A108-I186 HydrophobicContact CB-CD1 4.34Å; A108-I186 HydrophobicContact CB-CG1 4.16Å; A108-I186 HydrophobicContact CB-CG2 4.09Å; A108-G191 WeakPolarHBondContact CB-O 3.37Å |
| 109 | L | 95.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 176.2 | -65.7 | 176.2 | 0 | 0 | 0 | 111.9 | F104 S105 Y106 M112 A113 I131 F135 Y138 | F104-L109 HydrophobicContact CB-CD2 3.81Å; F104-L109 HydrophobicContact CB-CG 4.05Å; F104-L109 HydrophobicContact CD2-CD2 4.34Å; F104-L109 HydrophobicContact CG-CD2 4.39Å; S105-L109 PolarHBondContact O-N 3.41Å; Y106-L109 HydrophobicContact CD1-CD1 4.14Å; Y106-L109 PolarHBondContact O-N 2.89Å; L109-M112 HydrophobicContact CD2-CE 4.16Å; L109-M112 PolarHBondContact O-N 3.04Å; L109-A113 WeakPolarHBondContact O-CB 3.46Å; L109-A113 PolarHBondContact O-N 3.32Å; L109-I131 HydrophobicContact CB-CD1 4.23Å; L109-I131 HydrophobicContact CB-CG1 4.33Å; L109-F135 HydrophobicContact CD2-CD2 3.72Å; L109-F135 HydrophobicContact CD2-CE2 3.27Å; L109-F135 HydrophobicContact CD2-CZ 3.95Å; L109-Y138 HydrophobicContact CD1-CE2 3.86Å |
| 110 | I | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 178 | -65 | 162.8 | 0 | 0 | 0 | 110.5 | Y106 M112 A113 I114 I127 I149 N152 L153 F159 | Y106-I110 VanDerWaalsContact O-CG1 3.28Å; Y106-I110 WeakPolarHBondContact O-CG1 3.28Å; Y106-I110 PolarHBondContact O-N 2.99Å; I110-M112 VanDerWaalsContact C-N 3.32Å; I110-M112 PolarHBondContact O-N 2.83Å; I110-A113 WeakPolarHBondContact O-CB 3.25Å; I110-A113 PolarHBondContact O-N 3.31Å; I110-I114 HydrophobicContact CG2-CD1 3.85Å; I110-I114 WeakPolarHBondContact O-CG1 3.36Å; I110-I114 PolarHBondContact O-N 2.92Å; I110-I127 HydrophobicContact CG1-CG2 4.27Å; I110-I127 HydrophobicContact CG2-CD1 4.33Å; I110-I149 HydrophobicContact CD1-CD1 4.08Å; I110-I149 HydrophobicContact CD1-CG2 4.25Å; I110-I149 HydrophobicContact CG1-CD1 3.92Å; I110-I149 HydrophobicContact CG1-CG2 4.31Å; I110-N152 HydrophobicContact CD1-CB 3.81Å; I110-L153 HydrophobicContact CD1-CD2 4.11Å; I110-L153 HydrophobicContact CD1-CG 4.11Å; I110-L153 HydrophobicContact CG2-CD2 3.66Å; I110-F159 HydrophobicContact CB-CE1 4.07Å; I110-F159 HydrophobicContact CB-CE2 4.13Å; I110-F159 HydrophobicContact CB-CZ 3.71Å; I110-F159 HydrophobicContact CD1-CE2 4.1Å; I110-F159 HydrophobicContact CG2-CD1 3.74Å; I110-F159 HydrophobicContact CG2-CD2 4.21Å; I110-F159 HydrophobicContact CG2-CE1 3.43Å; I110-F159 VanDerWaalsContact CG2-CE1 3.43Å; I110-F159 HydrophobicContact CG2-CE2 3.92Å; I110-F159 HydrophobicContact CG2-CG 4.13Å; I110-F159 HydrophobicContact CG2-CZ 3.53Å |
| 111 | M | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -41.3 | -179.9 | -178.4 | 169.6 | -74.5 | 0 | 0 | 112.1 | N107 A108 I114 R115 F159 V177 A184 L193 | N107-M111 WeakPolarHBondContact O-CB 3.01Å; N107-M111 PolarHBondContact O-N 3.23Å; A108-M111 PolarHBondContact O-N 2.97Å; M111-I114 PolarHBondContact O-N 3.21Å; M111-R115 HydrophobicContact CG-CG 4.45Å; M111-R115 WeakPolarHBondContact O-CB 3.38Å; M111-R115 WeakPolarHBondContact O-CG 3.38Å; M111-R115 PolarHBondContact O-N 3.46Å; M111-R115 VanDerWaalsContact SD-CZ 3.54Å; M111-F159 HydrophobicContact CB-CE1 4.31Å; M111-F159 HydrophobicContact CB-CZ 4.47Å; M111-V177 HydrophobicContact CE-CG1 4.18Å; M111-V177 HydrophobicContact CG-CG2 4.49Å; M111-A184 HydrophobicContact CE-CB 4.25Å; M111-A184 HydrophobicContact SD-CB 4.48Å; M111-L193 HydrophobicContact CE-CD1 3.76Å; M111-L193 HydrophobicContact CE-CD2 3.39Å; M111-L193 HydrophobicContact CE-CG 4.21Å; M111-L193 HydrophobicContact SD-CD1 3.27Å; M111-L193 WeakPolarHBondContact SD-CD1 3.37Å; M111-L193 HydrophobicContact SD-CD2 4.08Å; M111-L193 HydrophobicContact SD-CG 4.31Å |
| 112 | M | 95 | Very high | 94.8 | Very high | 29 Ų | 29 | 47 Ų | 47 | 14% | 0.143 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 176.1 | -174.6 | 168.1 | 64.5 | 0 | 0 | 111.6 | A108 L109 I110 I114 R115 Q116 F130 F135 I186 | A108-M112 VanDerWaalsContact O-CB 3.31Å; A108-M112 WeakPolarHBondContact O-CB 3.15Å; A108-M112 PolarHBondContact O-N 3.34Å; L109-M112 HydrophobicContact CD2-CE 4.16Å; L109-M112 PolarHBondContact O-N 3.04Å; I110-M112 VanDerWaalsContact C-N 3.32Å; I110-M112 PolarHBondContact O-N 2.83Å; M112-I114 PolarHBondContact O-N 3Å; M112-R115 PolarHBondContact O-N 2.93Å; M112-Q116 HydrophobicContact CG-CG 4.47Å; M112-Q116 WeakPolarHBondContact O-CB 3.45Å; M112-Q116 VanDerWaalsContact O-CG 3.32Å; M112-Q116 WeakPolarHBondContact O-CG 3.22Å; M112-Q116 PolarHBondContact O-N 3.09Å; M112-F130 HydrophobicContact CB-CE1 4.42Å; M112-F130 HydrophobicContact CE-CE1 3.99Å; M112-F130 HydrophobicContact CE-CZ 4.43Å; M112-F130 HydrophobicContact CG-CE1 4.14Å; M112-F130 HydrophobicContact CG-CZ 3.96Å; M112-F135 HydrophobicContact CE-CE2 3.28Å; M112-F135 HydrophobicContact CE-CZ 3.43Å; M112-F135 VanDerWaalsContact CE-CZ 3.43Å; M112-I186 HydrophobicContact CB-CD1 4.01Å |
| 113 | A | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.2 | -48.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L109 I110 S117 L122 F130 | L109-A113 WeakPolarHBondContact O-CB 3.46Å; L109-A113 PolarHBondContact O-N 3.32Å; I110-A113 WeakPolarHBondContact O-CB 3.25Å; I110-A113 PolarHBondContact O-N 3.31Å; A113-S117 PolarHBondContact O-N 2.9Å; A113-L122 HydrophobicContact CB-CD2 3.91Å; A113-F130 VanDerWaalsContact CA-CD1 3.47Å; A113-F130 VanDerWaalsContact CA-CE1 3.44Å; A113-F130 HydrophobicContact CB-CB 3.98Å; A113-F130 HydrophobicContact CB-CD1 3.25Å; A113-F130 HydrophobicContact CB-CD2 4.2Å; A113-F130 HydrophobicContact CB-CE1 3.73Å; A113-F130 HydrophobicContact CB-CG 3.52Å; A113-F130 HydrophobicContact CB-CZ 4.38Å |
| 114 | I | 96.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.6 | -40.9 | -178.8 | -62.5 | 170.1 | 0 | 0 | 0 | 110.7 | I110 M111 M112 Q116 S117 K120 L122 F159 W175 V177 | I110-I114 HydrophobicContact CG2-CD1 3.85Å; I110-I114 WeakPolarHBondContact O-CG1 3.36Å; I110-I114 PolarHBondContact O-N 2.92Å; M111-I114 PolarHBondContact O-N 3.21Å; M112-I114 PolarHBondContact O-N 3Å; I114-Q116 PolarHBondContact O-N 3.15Å; I114-S117 WeakPolarHBondContact O-CB 3.15Å; I114-S117 PolarHBondContact O-N 3.3Å; I114-S117 PolarHBondContact O-OG 3.13Å; I114-K120 WeakPolarHBondContact CG2-O 3.24Å; I114-L122 HydrophobicContact CG1-CB 4.16Å; I114-F159 HydrophobicContact CD1-CD1 4.04Å; I114-F159 HydrophobicContact CD1-CE1 4.39Å; I114-W175 HydrophobicContact CD1-CB 4.32Å; I114-V177 HydrophobicContact CB-CG2 4.05Å; I114-V177 HydrophobicContact CD1-CG2 4.14Å; I114-V177 HydrophobicContact CG2-CG2 3.87Å |
| 115 | R | 94.1 | Very high | 95.8 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 23% | 0.226 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.2 | -35.4 | 179.4 | -79.4 | -175.6 | 172.3 | 154.5 | 8 | 114 | M111 M112 S117 K120 E182 A184 | M111-R115 HydrophobicContact CG-CG 4.45Å; M111-R115 WeakPolarHBondContact O-CB 3.38Å; M111-R115 WeakPolarHBondContact O-CG 3.38Å; M111-R115 PolarHBondContact O-N 3.46Å; M111-R115 VanDerWaalsContact SD-CZ 3.54Å; M112-R115 PolarHBondContact O-N 2.93Å; R115-S117 VanDerWaalsContact C-N 3.26Å; R115-K120 PolarHBondContact O-NZ 3.2Å; R115-E182 IonicContact NE-OE1 3.74Å; R115-E182 PolarHBondContact NH2-O 3.47Å; R115-A184 VanDerWaalsContact CZ-O 3.26Å; R115-A184 PolarHBondContact NH1-O 3.17Å; R115-A184 PolarHBondContact NH2-O 2.84Å |
| 116 | Q | 95.1 | Very high | 96 | Very high | 118 Ų | 118 | 44.2 Ų | 44.2 | 55% | 0.551 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -79 | -11.6 | 178 | -68.6 | -176.4 | 11.7 | 0 | 0 | 112.5 | M112 I114 F130 | M112-Q116 HydrophobicContact CG-CG 4.47Å; M112-Q116 WeakPolarHBondContact O-CB 3.45Å; M112-Q116 VanDerWaalsContact O-CG 3.32Å; M112-Q116 WeakPolarHBondContact O-CG 3.22Å; M112-Q116 PolarHBondContact O-N 3.09Å; I114-Q116 PolarHBondContact O-N 3.15Å; Q116-F130 HydrophobicContact CB-CE2 3.84Å; Q116-F130 HydrophobicContact CB-CZ 4.28Å; Q116-F130 HydrophobicContact CG-CE2 4.35Å; Q116-F130 HydrophobicContact CG-CZ 4.34Å |
| 117 | S | 95.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -69.3 | 142.1 | 171.1 | 78.7 | 0 | 0 | 0 | 0 | 111.1 | A113 I114 R115 E119 K120 R121 | A113-S117 PolarHBondContact O-N 2.9Å; I114-S117 WeakPolarHBondContact O-CB 3.15Å; I114-S117 PolarHBondContact O-N 3.3Å; I114-S117 PolarHBondContact O-OG 3.13Å; R115-S117 VanDerWaalsContact C-N 3.26Å; S117-E119 VanDerWaalsContact C-N 3.3Å; S117-E119 PolarHBondContact O-N 3.31Å; S117-K120 PolarHBondContact O-N 2.64Å; S117-K120 VanDerWaalsContact OG-CA 3.31Å; S117-K120 WeakPolarHBondContact OG-CA 3.32Å; S117-K120 PolarHBondContact OG-N 2.91Å; S117-R121 PolarHBondContact OG-N 3.12Å; S117-R121 VanDerWaalsContact OG-N 3.12Å; S117-R121 PolarHBondContact OG-O 2.86Å |
| 118 | P | 96.1 | Very high | 96.2 | Very high | 129 Ų | 129 | 40.9 Ų | 40.9 | 84% | 0.838 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -36.6 | -178.7 | 24.1 | -32.9 | 0 | 0 | 0 | 112.1 | ||
| 119 | E | 95.4 | Very high | 96.3 | Very high | 111 Ų | 111 | 46.7 Ų | 46.7 | 52% | 0.519 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 5 | -176.9 | -59.1 | -174.2 | 157.5 | 0 | 0 | 113.6 | S117 R121 | S117-E119 VanDerWaalsContact C-N 3.3Å; S117-E119 PolarHBondContact O-N 3.31Å; E119-R121 HydrophobicContact CB-CG 3.74Å; E119-R121 PolarHBondContact O-N 3.49Å; E119-R121 IonicContact OE1-NH2 3.01Å; E119-R121 IonicContact OE2-CZ 3.17Å; E119-R121 IonicContact OE2-NE 3.55Å; E119-R121 PolarHBondContact OE2-NE 3.48Å; E119-R121 IonicContact OE2-NH2 2.77Å; E119-R121 PolarHBondContact OE2-NH2 3.27Å |
| 120 | K | 95.6 | Very high | 96.4 | Very high | 107 Ų | 107 | 48 Ų | 48 | 47% | 0.465 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 52.3 | 25.2 | -173.3 | -53.4 | -61.7 | 176.4 | -178.9 | 0 | 113.9 | I114 R115 S117 | I114-K120 WeakPolarHBondContact CG2-O 3.24Å; R115-K120 PolarHBondContact O-NZ 3.2Å; S117-K120 PolarHBondContact O-N 2.64Å; S117-K120 VanDerWaalsContact OG-CA 3.31Å; S117-K120 WeakPolarHBondContact OG-CA 3.32Å; S117-K120 PolarHBondContact OG-N 2.91Å |
| 121 | R | 95.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 48 Ų | 48 | 27% | 0.272 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141.7 | 177.1 | 68.9 | -175 | 179.6 | 171.8 | 0.8 | 109 | S117 E119 Y174 W175 M176 | S117-R121 PolarHBondContact OG-N 3.12Å; S117-R121 VanDerWaalsContact OG-N 3.12Å; S117-R121 PolarHBondContact OG-O 2.86Å; E119-R121 HydrophobicContact CB-CG 3.74Å; E119-R121 PolarHBondContact O-N 3.49Å; E119-R121 IonicContact OE1-NH2 3.01Å; E119-R121 IonicContact OE2-CZ 3.17Å; E119-R121 IonicContact OE2-NE 3.55Å; E119-R121 PolarHBondContact OE2-NE 3.48Å; E119-R121 IonicContact OE2-NH2 2.77Å; E119-R121 PolarHBondContact OE2-NH2 3.27Å; R121-Y174 HydrophobicContact CB-CD1 4.31Å; R121-Y174 HydrophobicContact CG-CD1 3.91Å; R121-Y174 HydrophobicContact CG-CE1 4.32Å; R121-Y174 HydrophobicContact CG-CG 4.32Å; R121-W175 WeakPolarHBondContact CA-O 3.43Å; R121-M176 HydrophobicContact CB-CG 3.41Å; R121-M176 VanDerWaalsContact CB-CG 3.41Å; R121-M176 HydrophobicContact CB-SD 3.95Å |
| 122 | L | 97.1 | Very high | 96.4 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 147.9 | -178.9 | -151.8 | 73 | 0 | 0 | 0 | 110.7 | A113 I114 I127 F130 W175 | A113-L122 HydrophobicContact CB-CD2 3.91Å; I114-L122 HydrophobicContact CG1-CB 4.16Å; L122-I127 HydrophobicContact CB-CG1 4.28Å; L122-I127 HydrophobicContact CD2-CB 4.35Å; L122-I127 HydrophobicContact CD2-CG1 3.74Å; L122-I127 HydrophobicContact CG-CG1 4.33Å; L122-F130 HydrophobicContact CD2-CB 4.46Å; L122-W175 PolarHBondContact N-O 2.87Å; L122-W175 WeakPolarHBondContact O-CB 3.47Å; L122-W175 PolarHBondContact O-N 3.46Å |
| 123 | T | 97.4 | Very high | 96.4 | Very high | 32 Ų | 32 | 56.3 Ų | 56.3 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 163.7 | 175.2 | 72 | 0 | 0 | 0 | 0 | 109.9 | S125 G126 I127 Y174 | T123-S125 VanDerWaalsContact C-N 3.26Å; T123-S125 PolarHBondContact O-N 2.88Å; T123-G126 PolarHBondContact O-N 2.96Å; T123-G126 VanDerWaalsContact O-N 3.11Å; T123-G126 PolarHBondContact OG1-N 2.82Å; T123-I127 WeakPolarHBondContact O-CG1 3.35Å; T123-I127 PolarHBondContact O-N 3.28Å; T123-Y174 HydrophobicContact CG2-CD1 3.91Å; T123-Y174 HydrophobicContact CG2-CE1 3.76Å |
| 124 | L | 97.6 | Very high | 96.3 | Very high | 52 Ų | 52 | 59.7 Ų | 59.7 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.2 | -40.1 | 175.2 | -178.8 | 63.8 | 0 | 0 | 0 | 112.3 | I127 Y128 I149 R150 L153 | L124-I127 PolarHBondContact O-N 3.47Å; L124-Y128 HydrophobicContact CD1-CE1 3.7Å; L124-Y128 HydrophobicContact CD1-CE2 4.45Å; L124-Y128 HydrophobicContact CD2-CE2 4.44Å; L124-Y128 WeakPolarHBondContact CD2-OH 3.23Å; L124-Y128 HydrophobicContact CG-CE1 4.12Å; L124-Y128 HydrophobicContact CG-CE2 3.96Å; L124-Y128 PolarHBondContact O-N 3.48Å; L124-I149 HydrophobicContact CD1-CG2 4.24Å; L124-R150 HydrophobicContact CD1-CG 4.06Å; L124-R150 HydrophobicContact CD2-CG 3.97Å; L124-L153 HydrophobicContact CD1-CD1 3.55Å |
| 125 | S | 97.2 | Very high | 96.2 | Very high | 63 Ų | 63 | 61.1 Ų | 61.1 | 44% | 0.441 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 175.1 | -162.3 | 0 | 0 | 0 | 0 | 111.2 | T123 I127 Y128 E129 | T123-S125 VanDerWaalsContact C-N 3.26Å; T123-S125 PolarHBondContact O-N 2.88Å; S125-I127 VanDerWaalsContact C-N 3.27Å; S125-I127 PolarHBondContact O-N 3.39Å; S125-Y128 WeakPolarHBondContact O-CB 3.18Å; S125-Y128 PolarHBondContact O-N 2.87Å; S125-E129 PolarHBondContact O-N 2.86Å; S125-E129 PolarHBondContact OG-OE1 3.47Å |
| 126 | G | 97.3 | Very high | 96.1 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -36.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T123 Y128 E129 F130 | T123-G126 PolarHBondContact O-N 2.96Å; T123-G126 VanDerWaalsContact O-N 3.11Å; T123-G126 PolarHBondContact OG1-N 2.82Å; G126-Y128 VanDerWaalsContact C-N 3.33Å; G126-Y128 PolarHBondContact O-N 3.47Å; G126-E129 PolarHBondContact O-N 3.46Å; G126-F130 VanDerWaalsContact O-CB 3.26Å; G126-F130 WeakPolarHBondContact O-CB 3.31Å; G126-F130 PolarHBondContact O-N 3.36Å |
| 127 | I | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 174.5 | -63.7 | 167.3 | 0 | 0 | 0 | 110.5 | I110 L122 T123 L124 S125 I131 I149 L153 W175 | I110-I127 HydrophobicContact CG1-CG2 4.27Å; I110-I127 HydrophobicContact CG2-CD1 4.33Å; L122-I127 HydrophobicContact CB-CG1 4.28Å; L122-I127 HydrophobicContact CD2-CB 4.35Å; L122-I127 HydrophobicContact CD2-CG1 3.74Å; L122-I127 HydrophobicContact CG-CG1 4.33Å; T123-I127 WeakPolarHBondContact O-CG1 3.35Å; T123-I127 PolarHBondContact O-N 3.28Å; L124-I127 PolarHBondContact O-N 3.47Å; S125-I127 VanDerWaalsContact C-N 3.27Å; S125-I127 PolarHBondContact O-N 3.39Å; I127-I131 HydrophobicContact CG2-CD1 3.85Å; I127-I131 VanDerWaalsContact O-CG1 3.27Å; I127-I131 WeakPolarHBondContact O-CG1 3.45Å; I127-I131 PolarHBondContact O-N 2.88Å; I127-I131 VanDerWaalsContact O-N 3.07Å; I127-I149 HydrophobicContact CG2-CG2 3.95Å; I127-L153 HydrophobicContact CD1-CD1 3.96Å; I127-L153 HydrophobicContact CD1-CD2 4.01Å; I127-W175 HydrophobicContact CD1-CB 4.36Å |
| 128 | Y | 97.4 | Very high | 96 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 11% | 0.114 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 178.1 | -58.2 | -24.5 | 0 | 0 | 0 | 112 | L124 S125 G126 F130 I131 I132 W145 Q146 I149 R150 | L124-Y128 HydrophobicContact CD1-CE1 3.7Å; L124-Y128 HydrophobicContact CD1-CE2 4.45Å; L124-Y128 HydrophobicContact CD2-CE2 4.44Å; L124-Y128 WeakPolarHBondContact CD2-OH 3.23Å; L124-Y128 HydrophobicContact CG-CE1 4.12Å; L124-Y128 HydrophobicContact CG-CE2 3.96Å; L124-Y128 PolarHBondContact O-N 3.48Å; S125-Y128 WeakPolarHBondContact O-CB 3.18Å; S125-Y128 PolarHBondContact O-N 2.87Å; G126-Y128 VanDerWaalsContact C-N 3.33Å; G126-Y128 PolarHBondContact O-N 3.47Å; Y128-F130 VanDerWaalsContact C-N 3.32Å; Y128-F130 PolarHBondContact O-N 3.25Å; Y128-I131 PolarHBondContact O-N 3.31Å; Y128-I132 VanDerWaalsContact O-CG1 3.31Å; Y128-I132 WeakPolarHBondContact O-CG1 3.29Å; Y128-I132 PolarHBondContact O-N 3.44Å; Y128-W145 HydrophobicContact CD1-CH2 4.06Å; Y128-W145 AromaticContact CD1-CZ3 3.73Å; Y128-W145 HydrophobicContact CD1-CZ3 3.73Å; Y128-W145 HydrophobicContact CE1-CZ3 4.39Å; Y128-W145 HydrophobicContact CG-CH2 4.23Å; Y128-W145 HydrophobicContact CG-CZ3 4.37Å; Y128-Q146 HydrophobicContact CD1-CG 3.91Å; Y128-Q146 HydrophobicContact CD2-CG 4.32Å; Y128-Q146 HydrophobicContact CE1-CB 3.93Å; Y128-Q146 HydrophobicContact CE1-CG 3.74Å; Y128-Q146 HydrophobicContact CE2-CG 4.17Å; Y128-Q146 HydrophobicContact CG-CG 4.18Å; Y128-I149 HydrophobicContact CD1-CG2 4.44Å; Y128-I149 HydrophobicContact CE1-CB 4.14Å; Y128-I149 HydrophobicContact CE1-CG2 3.94Å; Y128-R150 WeakPolarHBondContact OH-CG 3.24Å; Y128-R150 PolarHBondContact OH-NH1 3.5Å |
| 129 | E | 97.3 | Very high | 95.9 | Very high | 122 Ų | 122 | 60.5 Ų | 60.5 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.1 | -42.9 | 178.9 | -70.8 | 162.6 | -144.2 | 0 | 0 | 111.2 | S125 G126 I131 I132 K133 | S125-E129 PolarHBondContact O-N 2.86Å; S125-E129 PolarHBondContact OG-OE1 3.47Å; G126-E129 PolarHBondContact O-N 3.46Å; E129-I131 PolarHBondContact O-N 3.03Å; E129-I132 PolarHBondContact O-N 3.23Å; E129-K133 WeakPolarHBondContact O-CB 3.3Å; E129-K133 PolarHBondContact O-N 3.09Å |
| 130 | F | 97.3 | Very high | 95.6 | Very high | 29 Ų | 29 | 61.2 Ų | 61.2 | 13% | 0.127 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 175.4 | -179.7 | -87.4 | 0 | 0 | 0 | 112.4 | M112 A113 Q116 L122 G126 Y128 K133 N134 | M112-F130 HydrophobicContact CB-CE1 4.42Å; M112-F130 HydrophobicContact CE-CE1 3.99Å; M112-F130 HydrophobicContact CE-CZ 4.43Å; M112-F130 HydrophobicContact CG-CE1 4.14Å; M112-F130 HydrophobicContact CG-CZ 3.96Å; A113-F130 VanDerWaalsContact CA-CD1 3.47Å; A113-F130 VanDerWaalsContact CA-CE1 3.44Å; A113-F130 HydrophobicContact CB-CB 3.98Å; A113-F130 HydrophobicContact CB-CD1 3.25Å; A113-F130 HydrophobicContact CB-CD2 4.2Å; A113-F130 HydrophobicContact CB-CE1 3.73Å; A113-F130 HydrophobicContact CB-CG 3.52Å; A113-F130 HydrophobicContact CB-CZ 4.38Å; Q116-F130 HydrophobicContact CB-CE2 3.84Å; Q116-F130 HydrophobicContact CB-CZ 4.28Å; Q116-F130 HydrophobicContact CG-CE2 4.35Å; Q116-F130 HydrophobicContact CG-CZ 4.34Å; L122-F130 HydrophobicContact CD2-CB 4.46Å; G126-F130 VanDerWaalsContact O-CB 3.26Å; G126-F130 WeakPolarHBondContact O-CB 3.31Å; G126-F130 PolarHBondContact O-N 3.36Å; Y128-F130 VanDerWaalsContact C-N 3.32Å; Y128-F130 PolarHBondContact O-N 3.25Å; F130-K133 PolarHBondContact O-N 3.44Å; F130-N134 WeakPolarHBondContact CD2-ND2 3.43Å; F130-N134 WeakPolarHBondContact CE1-ND2 3.33Å; F130-N134 WeakPolarHBondContact CE2-ND2 3.34Å; F130-N134 WeakPolarHBondContact CZ-ND2 3.03Å; F130-N134 PolarHBondContact O-N 2.89Å; F130-N134 VanDerWaalsContact O-N 3.15Å; F130-N134 PolarHBondContact O-ND2 3.44Å |
| 131 | I | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | -178.2 | -68.7 | 169.5 | 0 | 0 | 0 | 110.4 | L109 I127 Y128 E129 K133 N134 F135 Y138 W145 I149 | L109-I131 HydrophobicContact CB-CD1 4.23Å; L109-I131 HydrophobicContact CB-CG1 4.33Å; I127-I131 HydrophobicContact CG2-CD1 3.85Å; I127-I131 VanDerWaalsContact O-CG1 3.27Å; I127-I131 WeakPolarHBondContact O-CG1 3.45Å; I127-I131 PolarHBondContact O-N 2.88Å; I127-I131 VanDerWaalsContact O-N 3.07Å; Y128-I131 PolarHBondContact O-N 3.31Å; E129-I131 PolarHBondContact O-N 3.03Å; I131-K133 VanDerWaalsContact C-N 3.33Å; I131-K133 PolarHBondContact O-N 3.05Å; I131-N134 PolarHBondContact O-N 3.11Å; I131-F135 WeakPolarHBondContact O-CB 3.47Å; I131-F135 PolarHBondContact O-N 3.11Å; I131-Y138 HydrophobicContact CG2-CD2 3.4Å; I131-Y138 HydrophobicContact CG2-CE2 4.09Å; I131-Y138 HydrophobicContact CG2-CG 3.73Å; I131-W145 HydrophobicContact CD1-CZ3 4.23Å; I131-W145 HydrophobicContact CG2-CZ3 4.42Å; I131-I149 HydrophobicContact CD1-CD1 3.63Å; I131-I149 HydrophobicContact CD1-CG1 4.07Å |
| 132 | I | 95.1 | Very high | 95.3 | Very high | 35 Ų | 35 | 64.3 Ų | 64.3 | 18% | 0.179 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.2 | -37.6 | -179.6 | -68.6 | 167.6 | 0 | 0 | 0 | 111.8 | Y128 E129 R139 W145 | Y128-I132 VanDerWaalsContact O-CG1 3.31Å; Y128-I132 WeakPolarHBondContact O-CG1 3.29Å; Y128-I132 PolarHBondContact O-N 3.44Å; E129-I132 PolarHBondContact O-N 3.23Å; I132-R139 HydrophobicContact CG2-CG 3.66Å; I132-W145 HydrophobicContact CD1-CH2 4.1Å; I132-W145 HydrophobicContact CD1-CZ2 3.9Å; I132-W145 HydrophobicContact CG1-CH2 4.04Å; I132-W145 HydrophobicContact CG1-CZ2 3.83Å |
| 133 | K | 95.6 | Very high | 95.2 | Very high | 168 Ų | 168 | 69.2 Ų | 69.2 | 73% | 0.73 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.8 | -44.6 | 179.4 | -177.9 | 179.3 | 177.3 | -179.1 | 0 | 111.8 | E129 F130 I131 | E129-K133 WeakPolarHBondContact O-CB 3.3Å; E129-K133 PolarHBondContact O-N 3.09Å; F130-K133 PolarHBondContact O-N 3.44Å; I131-K133 VanDerWaalsContact C-N 3.33Å; I131-K133 PolarHBondContact O-N 3.05Å |
| 134 | N | 94.5 | Very high | 95.1 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -87.1 | -29.5 | -175.3 | -67.3 | -67 | 0 | 0 | 0 | 113.5 | F130 I131 | F130-N134 WeakPolarHBondContact CD2-ND2 3.43Å; F130-N134 WeakPolarHBondContact CE1-ND2 3.33Å; F130-N134 WeakPolarHBondContact CE2-ND2 3.34Å; F130-N134 WeakPolarHBondContact CZ-ND2 3.03Å; F130-N134 PolarHBondContact O-N 2.89Å; F130-N134 VanDerWaalsContact O-N 3.15Å; F130-N134 PolarHBondContact O-ND2 3.44Å; I131-N134 PolarHBondContact O-N 3.11Å |
| 135 | F | 93.5 | Very high | 95 | Very high | 32 Ų | 32 | 68.4 Ų | 68.4 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | trans | -129.3 | 91.8 | -176.1 | -57.7 | -68.9 | 0 | 0 | 0 | 110.6 | P102 F104 L109 M112 I131 Y137 Y138 | P102-F135 HydrophobicContact CB-CD1 3.73Å; P102-F135 HydrophobicContact CB-CE1 3.88Å; P102-F135 HydrophobicContact CB-CG 4.36Å; P102-F135 HydrophobicContact CG-CB 3.83Å; P102-F135 HydrophobicContact CG-CD1 3.28Å; P102-F135 HydrophobicContact CG-CE1 3.98Å; P102-F135 HydrophobicContact CG-CG 3.66Å; F104-F135 AromaticContact CD2-CE1 3.94Å; F104-F135 HydrophobicContact CD2-CE1 3.94Å; F104-F135 AromaticContact CD2-CZ 3.71Å; F104-F135 HydrophobicContact CD2-CZ 3.71Å; F104-F135 AromaticContact CE2-CE1 3.91Å; F104-F135 HydrophobicContact CE2-CE1 3.91Å; F104-F135 AromaticContact CE2-CZ 3.81Å; F104-F135 HydrophobicContact CE2-CZ 3.81Å; L109-F135 HydrophobicContact CD2-CD2 3.72Å; L109-F135 HydrophobicContact CD2-CE2 3.27Å; L109-F135 HydrophobicContact CD2-CZ 3.95Å; M112-F135 HydrophobicContact CE-CE2 3.28Å; M112-F135 HydrophobicContact CE-CZ 3.43Å; M112-F135 VanDerWaalsContact CE-CZ 3.43Å; I131-F135 WeakPolarHBondContact O-CB 3.47Å; I131-F135 PolarHBondContact O-N 3.11Å; F135-Y137 PolarHBondContact O-N 3.26Å; F135-Y138 HydrophobicContact CB-CD2 3.72Å; F135-Y138 HydrophobicContact CB-CE2 4.11Å; F135-Y138 PolarHBondContact O-N 3.42Å | ||
| 136 | P | 92.7 | Very high | 95 | Very high | 55 Ų | 55 | 66.9 Ų | 66.9 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -55.1 | -25.1 | -178.7 | -28.8 | 36.7 | 0 | 0 | 0 | 114.8 | Y138 R139 | P136-Y138 PolarHBondContact O-N 2.96Å; P136-Y138 VanDerWaalsContact O-N 3.08Å; P136-R139 VanDerWaalsContact O-CB 3.29Å; P136-R139 WeakPolarHBondContact O-CB 3.33Å; P136-R139 VanDerWaalsContact O-CG 3.29Å; P136-R139 WeakPolarHBondContact O-CG 3.29Å; P136-R139 PolarHBondContact O-N 2.88Å |
| 137 | Y | 93 | Very high | 95 | Very high | 95 Ų | 95 | 70.6 Ų | 70.6 | 37% | 0.373 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -48.5 | -34.7 | 172.3 | 175.1 | -109.3 | 0 | 0 | 0 | 114.2 | C99 K101 F135 R139 | C99-Y137 HydrophobicContact CB-CD2 4.36Å; C99-Y137 WeakPolarHBondContact O-CD2 3.09Å; K101-Y137 HydrophobicContact CB-CD1 4.16Å; K101-Y137 HydrophobicContact CB-CE1 3.68Å; K101-Y137 HydrophobicContact CB-CE2 4.21Å; K101-Y137 HydrophobicContact CD-CE1 4.18Å; K101-Y137 HydrophobicContact CG-CD1 4.2Å; K101-Y137 HydrophobicContact CG-CE1 3.64Å; F135-Y137 PolarHBondContact O-N 3.26Å; Y137-R139 VanDerWaalsContact C-N 3.33Å; Y137-R139 PolarHBondContact O-N 2.99Å |
| 138 | Y | 94.7 | Very high | 95 | Very high | 5 Ų | 5 | 71.1 Ų | 71.1 | 2% | 0.02 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -88.8 | 8.8 | -177.5 | -63.8 | -71.2 | 0 | 0 | 0 | 113.9 | P102 Y106 L109 I131 F135 P136 E140 W145 | P102-Y138 HydrophobicContact CG-CE2 4.01Å; Y106-Y138 HydrophobicContact CE1-CE1 4.19Å; L109-Y138 HydrophobicContact CD1-CE2 3.86Å; I131-Y138 HydrophobicContact CG2-CD2 3.4Å; I131-Y138 HydrophobicContact CG2-CE2 4.09Å; I131-Y138 HydrophobicContact CG2-CG 3.73Å; F135-Y138 HydrophobicContact CB-CD2 3.72Å; F135-Y138 HydrophobicContact CB-CE2 4.11Å; F135-Y138 PolarHBondContact O-N 3.42Å; P136-Y138 PolarHBondContact O-N 2.96Å; P136-Y138 VanDerWaalsContact O-N 3.08Å; Y138-E140 VanDerWaalsContact C-N 3.32Å; Y138-W145 HydrophobicContact CD1-CB 4.07Å; Y138-W145 AromaticContact CD1-CD1 3.93Å; Y138-W145 HydrophobicContact CD1-CD2 4.17Å; Y138-W145 AromaticContact CD1-CG 3.81Å; Y138-W145 HydrophobicContact CD1-CG 3.81Å; Y138-W145 HydrophobicContact CE1-CB 4.35Å; Y138-W145 VanDerWaalsContact O-CE2 3.29Å; Y138-W145 WeakPolarHBondContact O-CZ2 3.43Å; Y138-W145 PolarHBondContact O-NE1 3.08Å |
| 139 | R | 93.8 | Very high | 95 | Very high | 147 Ų | 147 | 69.8 Ų | 69.8 | 56% | 0.555 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -66.1 | -38.5 | 174.7 | -75.1 | 172.2 | -175.9 | -169.3 | 3.3 | 111.8 | I132 P136 Y137 K142 | I132-R139 HydrophobicContact CG2-CG 3.66Å; P136-R139 VanDerWaalsContact O-CB 3.29Å; P136-R139 WeakPolarHBondContact O-CB 3.33Å; P136-R139 VanDerWaalsContact O-CG 3.29Å; P136-R139 WeakPolarHBondContact O-CG 3.29Å; P136-R139 PolarHBondContact O-N 2.88Å; Y137-R139 VanDerWaalsContact C-N 3.33Å; Y137-R139 PolarHBondContact O-N 2.99Å; R139-K142 VanDerWaalsContact O-CE 3.29Å; R139-K142 WeakPolarHBondContact O-CE 3.29Å |
| 140 | E | 91.1 | Very high | 95 | Very high | 126 Ų | 126 | 67.9 Ų | 67.9 | 59% | 0.589 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -83.8 | 164.5 | 177.1 | -61.4 | 177.6 | -170.7 | 0 | 0 | 111.7 | Y138 K142 W145 | Y138-E140 VanDerWaalsContact C-N 3.32Å; E140-K142 VanDerWaalsContact C-N 3.26Å; E140-K142 PolarHBondContact O-N 3.06Å; E140-K142 VanDerWaalsContact O-N 3.11Å; E140-W145 PolarHBondContact O-NE1 3.47Å |
| 141 | N | 90.5 | Very high | 95 | Very high | 134 Ų | 134 | 70.3 Ų | 70.3 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | trans | 51.5 | 39.7 | 172.1 | -68.5 | -73 | 0 | 0 | 0 | 114.7 | Q143 G144 W145 | N141-Q143 VanDerWaalsContact C-N 3.25Å; N141-Q143 PolarHBondContact O-N 3.07Å; N141-Q143 VanDerWaalsContact O-N 3.11Å; N141-G144 PolarHBondContact O-N 3.47Å; N141-G144 VanDerWaalsContact O-N 3.12Å; N141-W145 VanDerWaalsContact O-CD1 3.25Å | ||
| 142 | K | 93.3 | Very high | 95 | Very high | 110 Ų | 110 | 71 Ų | 71 | 48% | 0.478 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -47.3 | -44.9 | -175 | -66.6 | -172.1 | -177.1 | -175.1 | 0 | 113.3 | R139 E140 G144 W145 Q146 | R139-K142 VanDerWaalsContact O-CE 3.29Å; R139-K142 WeakPolarHBondContact O-CE 3.29Å; E140-K142 VanDerWaalsContact C-N 3.26Å; E140-K142 PolarHBondContact O-N 3.06Å; E140-K142 VanDerWaalsContact O-N 3.11Å; K142-G144 VanDerWaalsContact C-N 3.33Å; K142-G144 PolarHBondContact O-N 3.12Å; K142-W145 HydrophobicContact CG-CZ2 4.47Å; K142-Q146 WeakPolarHBondContact O-CB 3.19Å; K142-Q146 WeakPolarHBondContact O-CG 3.28Å; K142-Q146 PolarHBondContact O-N 3.07Å |
| 143 | Q | 94.7 | Very high | 95.1 | Very high | 135 Ų | 135 | 69.5 Ų | 69.5 | 63% | 0.631 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.7 | -38.6 | -174.6 | -174.1 | 62.3 | -0.3 | 0 | 0 | 113.5 | N141 N147 | N141-Q143 VanDerWaalsContact C-N 3.25Å; N141-Q143 PolarHBondContact O-N 3.07Å; N141-Q143 VanDerWaalsContact O-N 3.11Å; Q143-N147 WeakPolarHBondContact O-CB 3.31Å; Q143-N147 PolarHBondContact O-N 3.4Å; Q143-N147 VanDerWaalsContact O-N 3.15Å |
| 144 | G | 95.2 | Very high | 95.1 | Very high | 53 Ų | 53 | 66 Ų | 66 | 55% | 0.546 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68 | -57.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | N141 K142 N147 S148 | N141-G144 PolarHBondContact O-N 3.47Å; N141-G144 VanDerWaalsContact O-N 3.12Å; K142-G144 VanDerWaalsContact C-N 3.33Å; K142-G144 PolarHBondContact O-N 3.12Å; G144-N147 PolarHBondContact O-N 3.03Å; G144-S148 PolarHBondContact O-N 2.93Å |
| 145 | W | 95.7 | Very high | 95.1 | Very high | 14 Ų | 14 | 68.3 Ų | 68.3 | 5% | 0.053 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.3 | -29.9 | -179 | 68.3 | -101.2 | 0 | 0 | 0 | 112.3 | Y106 Y128 I131 I132 Y138 E140 N141 K142 N147 S148 I149 | Y106-W145 HydrophobicContact CE1-CB 4.34Å; Y128-W145 HydrophobicContact CD1-CH2 4.06Å; Y128-W145 AromaticContact CD1-CZ3 3.73Å; Y128-W145 HydrophobicContact CD1-CZ3 3.73Å; Y128-W145 HydrophobicContact CE1-CZ3 4.39Å; Y128-W145 HydrophobicContact CG-CH2 4.23Å; Y128-W145 HydrophobicContact CG-CZ3 4.37Å; I131-W145 HydrophobicContact CD1-CZ3 4.23Å; I131-W145 HydrophobicContact CG2-CZ3 4.42Å; I132-W145 HydrophobicContact CD1-CH2 4.1Å; I132-W145 HydrophobicContact CD1-CZ2 3.9Å; I132-W145 HydrophobicContact CG1-CH2 4.04Å; I132-W145 HydrophobicContact CG1-CZ2 3.83Å; Y138-W145 HydrophobicContact CD1-CB 4.07Å; Y138-W145 AromaticContact CD1-CD1 3.93Å; Y138-W145 HydrophobicContact CD1-CD2 4.17Å; Y138-W145 AromaticContact CD1-CG 3.81Å; Y138-W145 HydrophobicContact CD1-CG 3.81Å; Y138-W145 HydrophobicContact CE1-CB 4.35Å; Y138-W145 VanDerWaalsContact O-CE2 3.29Å; Y138-W145 WeakPolarHBondContact O-CZ2 3.43Å; Y138-W145 PolarHBondContact O-NE1 3.08Å; E140-W145 PolarHBondContact O-NE1 3.47Å; N141-W145 VanDerWaalsContact O-CD1 3.25Å; K142-W145 HydrophobicContact CG-CZ2 4.47Å; W145-N147 VanDerWaalsContact C-N 3.32Å; W145-N147 PolarHBondContact O-N 2.91Å; W145-S148 WeakPolarHBondContact CA-OG 3.4Å; W145-S148 CarbonylContact O-C 3.57Å; W145-S148 WeakPolarHBondContact O-CA 3.34Å; W145-S148 WeakPolarHBondContact O-CB 3.05Å; W145-S148 PolarHBondContact O-N 3.23Å; W145-S148 PolarHBondContact O-OG 3.14Å; W145-I149 HydrophobicContact CE3-CG1 3.87Å; W145-I149 HydrophobicContact CZ3-CG1 4.13Å; W145-I149 WeakPolarHBondContact O-CG1 3.47Å; W145-I149 PolarHBondContact O-N 2.93Å |
| 146 | Q | 97.7 | Very high | 95.1 | Very high | 32 Ų | 32 | 68.7 Ų | 68.7 | 15% | 0.15 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 175.3 | -73 | 178.3 | 1.5 | 0 | 0 | 111.9 | Y128 K142 S148 I149 R150 | Y128-Q146 HydrophobicContact CD1-CG 3.91Å; Y128-Q146 HydrophobicContact CD2-CG 4.32Å; Y128-Q146 HydrophobicContact CE1-CB 3.93Å; Y128-Q146 HydrophobicContact CE1-CG 3.74Å; Y128-Q146 HydrophobicContact CE2-CG 4.17Å; Y128-Q146 HydrophobicContact CG-CG 4.18Å; K142-Q146 WeakPolarHBondContact O-CB 3.19Å; K142-Q146 WeakPolarHBondContact O-CG 3.28Å; K142-Q146 PolarHBondContact O-N 3.07Å; Q146-S148 PolarHBondContact O-N 3.03Å; Q146-I149 PolarHBondContact O-N 3.15Å; Q146-R150 WeakPolarHBondContact O-CG 3.24Å; Q146-R150 PolarHBondContact O-N 3.49Å; Q146-R150 PolarHBondContact O-NH1 2.05Å |
| 147 | N | 97.5 | Very high | 95.1 | Very high | 90 Ų | 90 | 75 Ų | 75 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 169.9 | -167.9 | 32.4 | 0 | 0 | 0 | 110.8 | Q143 G144 W145 I149 R150 H151 | Q143-N147 WeakPolarHBondContact O-CB 3.31Å; Q143-N147 PolarHBondContact O-N 3.4Å; Q143-N147 VanDerWaalsContact O-N 3.15Å; G144-N147 PolarHBondContact O-N 3.03Å; W145-N147 VanDerWaalsContact C-N 3.32Å; W145-N147 PolarHBondContact O-N 2.91Å; N147-I149 VanDerWaalsContact C-N 3.31Å; N147-I149 PolarHBondContact O-N 3.42Å; N147-R150 PolarHBondContact O-N 3.37Å; N147-R150 PolarHBondContact OD1-NH2 2.95Å; N147-H151 PolarHBondContact O-N 2.88Å |
| 148 | S | 97 | Very high | 95.2 | Very high | 11 Ų | 11 | 71.2 Ų | 71.2 | 8% | 0.077 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 176.4 | 83.9 | 0 | 0 | 0 | 0 | 113.5 | Y106 G144 W145 Q146 H151 N152 | Y106-S148 WeakPolarHBondContact CE1-OG 3.07Å; Y106-S148 VanDerWaalsContact CE2-OG 3.28Å; Y106-S148 WeakPolarHBondContact CE2-OG 3.27Å; G144-S148 PolarHBondContact O-N 2.93Å; W145-S148 WeakPolarHBondContact CA-OG 3.4Å; W145-S148 CarbonylContact O-C 3.57Å; W145-S148 WeakPolarHBondContact O-CA 3.34Å; W145-S148 WeakPolarHBondContact O-CB 3.05Å; W145-S148 PolarHBondContact O-N 3.23Å; W145-S148 PolarHBondContact O-OG 3.14Å; Q146-S148 PolarHBondContact O-N 3.03Å; S148-H151 WeakPolarHBondContact CA-CD2 3.41Å; S148-H151 VanDerWaalsContact CA-NE2 3.34Å; S148-H151 WeakPolarHBondContact CA-NE2 3.34Å; S148-H151 PolarHBondContact O-CD2 3.43Å; S148-H151 PolarHBondContact O-CE1 3.4Å; S148-H151 VanDerWaalsContact O-CG 3.27Å; S148-H151 PolarHBondContact O-ND1 2.82Å; S148-H151 PolarHBondContact O-NE2 2.79Å; S148-H151 VanDerWaalsContact O-NE2 3.16Å; S148-N152 PolarHBondContact O-N 3.42Å; S148-N152 VanDerWaalsContact O-N 3.09Å; S148-N152 PolarHBondContact O-ND2 3.03Å |
| 149 | I | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 176.8 | -65.4 | -62.5 | 0 | 0 | 0 | 111 | Y106 I110 L124 I127 Y128 I131 W145 Q146 N147 H151 N152 L153 | Y106-I149 HydrophobicContact CD1-CD1 3.83Å; Y106-I149 HydrophobicContact CG-CD1 4.35Å; I110-I149 HydrophobicContact CD1-CD1 4.08Å; I110-I149 HydrophobicContact CD1-CG2 4.25Å; I110-I149 HydrophobicContact CG1-CD1 3.92Å; I110-I149 HydrophobicContact CG1-CG2 4.31Å; L124-I149 HydrophobicContact CD1-CG2 4.24Å; I127-I149 HydrophobicContact CG2-CG2 3.95Å; Y128-I149 HydrophobicContact CD1-CG2 4.44Å; Y128-I149 HydrophobicContact CE1-CB 4.14Å; Y128-I149 HydrophobicContact CE1-CG2 3.94Å; I131-I149 HydrophobicContact CD1-CD1 3.63Å; I131-I149 HydrophobicContact CD1-CG1 4.07Å; W145-I149 HydrophobicContact CE3-CG1 3.87Å; W145-I149 HydrophobicContact CZ3-CG1 4.13Å; W145-I149 WeakPolarHBondContact O-CG1 3.47Å; W145-I149 PolarHBondContact O-N 2.93Å; Q146-I149 PolarHBondContact O-N 3.15Å; N147-I149 VanDerWaalsContact C-N 3.31Å; N147-I149 PolarHBondContact O-N 3.42Å; I149-H151 VanDerWaalsContact C-N 3.34Å; I149-H151 PolarHBondContact O-N 2.91Å; I149-N152 PolarHBondContact O-N 3.41Å; I149-N152 VanDerWaalsContact O-N 3.12Å; I149-L153 HydrophobicContact CG2-CD1 4.02Å; I149-L153 HydrophobicContact CG2-CG 4.46Å; I149-L153 WeakPolarHBondContact O-CG 3.44Å; I149-L153 PolarHBondContact O-N 3.01Å |
| 150 | R | 98.1 | Very high | 95.4 | Very high | 83 Ų | 83 | 67.5 Ų | 67.5 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 179.9 | -68.5 | -171.8 | -57.7 | -92.8 | 8.7 | 112.6 | L124 Y128 Q146 N147 S154 | L124-R150 HydrophobicContact CD1-CG 4.06Å; L124-R150 HydrophobicContact CD2-CG 3.97Å; Y128-R150 WeakPolarHBondContact OH-CG 3.24Å; Y128-R150 PolarHBondContact OH-NH1 3.5Å; Q146-R150 WeakPolarHBondContact O-CG 3.24Å; Q146-R150 PolarHBondContact O-N 3.49Å; Q146-R150 PolarHBondContact O-NH1 2.05Å; N147-R150 PolarHBondContact O-N 3.37Å; N147-R150 PolarHBondContact OD1-NH2 2.95Å; R150-S154 PolarHBondContact O-N 3.11Å; R150-S154 PolarHBondContact O-OG 3.02Å; R150-S154 VanDerWaalsContact O-OG 3.06Å |
| 151 | H | 97.5 | Very high | 95.7 | Very high | 80 Ų | 80 | 67.8 Ų | 67.8 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.1 | -35.8 | 175.5 | 83.8 | 63.9 | 0 | 0 | 0 | 111.7 | N147 S148 I149 S154 L155 | N147-H151 PolarHBondContact O-N 2.88Å; S148-H151 WeakPolarHBondContact CA-CD2 3.41Å; S148-H151 VanDerWaalsContact CA-NE2 3.34Å; S148-H151 WeakPolarHBondContact CA-NE2 3.34Å; S148-H151 PolarHBondContact O-CD2 3.43Å; S148-H151 PolarHBondContact O-CE1 3.4Å; S148-H151 VanDerWaalsContact O-CG 3.27Å; S148-H151 PolarHBondContact O-ND1 2.82Å; S148-H151 PolarHBondContact O-NE2 2.79Å; S148-H151 VanDerWaalsContact O-NE2 3.16Å; I149-H151 VanDerWaalsContact C-N 3.34Å; I149-H151 PolarHBondContact O-N 2.91Å; H151-S154 PolarHBondContact O-N 3.36Å; H151-S154 PolarHBondContact O-OG 2.77Å; H151-S154 VanDerWaalsContact O-OG 3.07Å; H151-L155 WeakPolarHBondContact O-CB 3.39Å; H151-L155 PolarHBondContact O-N 3.01Å |
| 152 | N | 97 | Very high | 96 | Very high | 15 Ų | 15 | 63.3 Ų | 63.3 | 8% | 0.08 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.1 | -36.9 | -178.7 | -85.8 | -71.8 | 0 | 0 | 0 | 112 | Y106 N107 I110 S148 I149 S154 L155 N156 | Y106-N152 WeakPolarHBondContact CB-ND2 3.23Å; N107-N152 PolarHBondContact OD1-OD1 3.23Å; I110-N152 HydrophobicContact CD1-CB 3.81Å; S148-N152 PolarHBondContact O-N 3.42Å; S148-N152 VanDerWaalsContact O-N 3.09Å; S148-N152 PolarHBondContact O-ND2 3.03Å; I149-N152 PolarHBondContact O-N 3.41Å; I149-N152 VanDerWaalsContact O-N 3.12Å; N152-S154 VanDerWaalsContact C-N 3.27Å; N152-S154 PolarHBondContact O-N 2.79Å; N152-L155 PolarHBondContact O-N 2.82Å; N152-N156 PolarHBondContact O-N 3.4Å; N152-N156 VanDerWaalsContact O-N 3.15Å; N152-N156 PolarHBondContact O-ND2 3.07Å; N152-N156 PolarHBondContact OD1-ND2 2.78Å |
| 153 | L | 97.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.7 | -33.8 | 176.4 | -73.1 | 169.8 | 0 | 0 | 0 | 112.6 | I110 L124 I127 I149 F159 W175 | I110-L153 HydrophobicContact CD1-CD2 4.11Å; I110-L153 HydrophobicContact CD1-CG 4.11Å; I110-L153 HydrophobicContact CG2-CD2 3.66Å; L124-L153 HydrophobicContact CD1-CD1 3.55Å; I127-L153 HydrophobicContact CD1-CD1 3.96Å; I127-L153 HydrophobicContact CD1-CD2 4.01Å; I149-L153 HydrophobicContact CG2-CD1 4.02Å; I149-L153 HydrophobicContact CG2-CG 4.46Å; I149-L153 WeakPolarHBondContact O-CG 3.44Å; I149-L153 PolarHBondContact O-N 3.01Å; L153-F159 HydrophobicContact CD2-CB 4.03Å; L153-F159 HydrophobicContact CD2-CD2 4.23Å; L153-F159 HydrophobicContact CD2-CG 4.07Å; L153-W175 HydrophobicContact CB-CD2 4.25Å; L153-W175 HydrophobicContact CB-CE3 4.07Å; L153-W175 HydrophobicContact CB-CH2 3.73Å; L153-W175 HydrophobicContact CB-CZ2 3.93Å; L153-W175 HydrophobicContact CB-CZ3 3.81Å; L153-W175 HydrophobicContact CD1-CD2 4.17Å; L153-W175 HydrophobicContact CD1-CG 4.37Å; L153-W175 HydrophobicContact CD1-CZ2 4.32Å; L153-W175 HydrophobicContact CD2-CB 4.35Å; L153-W175 HydrophobicContact CD2-CD2 3.84Å; L153-W175 HydrophobicContact CD2-CE3 3.87Å; L153-W175 HydrophobicContact CD2-CG 4.07Å; L153-W175 HydrophobicContact CD2-CZ3 4.44Å; L153-W175 HydrophobicContact CG-CD2 4.32Å; L153-W175 HydrophobicContact CG-CE3 4.45Å; L153-W175 WeakPolarHBondContact O-CZ3 3.34Å |
| 154 | S | 95.7 | Very high | 96.1 | Very high | 94 Ų | 94 | 58.9 Ų | 58.9 | 66% | 0.657 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -88.5 | -30.2 | 178.7 | 46.2 | 0 | 0 | 0 | 0 | 113.6 | R150 H151 N152 | R150-S154 PolarHBondContact O-N 3.11Å; R150-S154 PolarHBondContact O-OG 3.02Å; R150-S154 VanDerWaalsContact O-OG 3.06Å; H151-S154 PolarHBondContact O-N 3.36Å; H151-S154 PolarHBondContact O-OG 2.77Å; H151-S154 VanDerWaalsContact O-OG 3.07Å; N152-S154 VanDerWaalsContact C-N 3.27Å; N152-S154 PolarHBondContact O-N 2.79Å |
| 155 | L | 94.4 | Very high | 96 | Very high | 120 Ų | 120 | 61.6 Ų | 61.6 | 63% | 0.628 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -74.2 | -45.5 | -178.7 | -172.2 | 161.8 | 0 | 0 | 0 | 112.1 | H151 N152 | H151-L155 WeakPolarHBondContact O-CB 3.39Å; H151-L155 PolarHBondContact O-N 3.01Å; N152-L155 PolarHBondContact O-N 2.82Å |
| 156 | N | 93.1 | Very high | 95.8 | Very high | 41 Ų | 41 | 71.6 Ų | 71.6 | 22% | 0.219 | 35% | 0.349 | C | S | . | . | trans | -92.2 | 123.6 | -169.4 | -61.2 | -87.8 | 0 | 0 | 0 | 111.6 | N107 N152 C158 F159 | N107-N156 PolarHBondContact ND2-OD1 2.89Å; N107-N156 PolarHBondContact OD1-ND2 3.34Å; N152-N156 PolarHBondContact O-N 3.4Å; N152-N156 VanDerWaalsContact O-N 3.15Å; N152-N156 PolarHBondContact O-ND2 3.07Å; N152-N156 PolarHBondContact OD1-ND2 2.78Å; N156-C158 PolarHBondContact O-N 2.78Å; N156-F159 HydrophobicContact CB-CD2 4.13Å; N156-F159 HydrophobicContact CB-CE2 4.33Å; N156-F159 PolarHBondContact O-N 2.92Å; N156-F159 VanDerWaalsContact O-N 3.14Å | ||
| 157 | K | 93.3 | Very high | 95.6 | Very high | 188 Ų | 188 | 76 Ų | 76 | 82% | 0.817 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -16.1 | 176.5 | -63.4 | -176.4 | -179.7 | -179.5 | 0 | 114.6 | F159 | K157-F159 PolarHBondContact O-N 2.83Š|
| 158 | C | 93.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 75.3 Ų | 75.3 | 10% | 0.095 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -16.7 | 176.8 | -70.9 | 0 | 0 | 0 | 0 | 113.8 | N156 V177 D178 C181 R195 | N156-C158 PolarHBondContact O-N 2.78Å; C158-V177 CarbonylContact O-C 3.58Å; C158-V177 WeakPolarHBondContact O-CA 3.45Å; C158-D178 PolarHBondContact O-N 2.88Å; C158-C181 WeakPolarHBondContact CA-SG 3.43Å; C158-C181 HydrophobicContact CB-CB 3.56Å; C158-C181 WeakPolarHBondContact CB-SG 3.38Å; C158-C181 WeakPolarHBondContact SG-CB 3.45Å; C158-C181 CovalentContact SG-SG 2.05Å; C158-C181 PolarHBondContact SG-SG 2.97Å; C158-R195 PolarHBondContact SG-NH2 3.27Å |
| 159 | F | 96.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 81 Ų | 81 | 4% | 0.044 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 117.6 | 177.7 | -53.8 | -56.2 | 0 | 0 | 0 | 109.1 | N107 I110 M111 I114 L153 N156 K157 W175 M176 V177 | N107-F159 HydrophobicContact CB-CE2 4.49Å; I110-F159 HydrophobicContact CB-CE1 4.07Å; I110-F159 HydrophobicContact CB-CE2 4.13Å; I110-F159 HydrophobicContact CB-CZ 3.71Å; I110-F159 HydrophobicContact CD1-CE2 4.1Å; I110-F159 HydrophobicContact CG2-CD1 3.74Å; I110-F159 HydrophobicContact CG2-CD2 4.21Å; I110-F159 HydrophobicContact CG2-CE1 3.43Å; I110-F159 VanDerWaalsContact CG2-CE1 3.43Å; I110-F159 HydrophobicContact CG2-CE2 3.92Å; I110-F159 HydrophobicContact CG2-CG 4.13Å; I110-F159 HydrophobicContact CG2-CZ 3.53Å; M111-F159 HydrophobicContact CB-CE1 4.31Å; M111-F159 HydrophobicContact CB-CZ 4.47Å; I114-F159 HydrophobicContact CD1-CD1 4.04Å; I114-F159 HydrophobicContact CD1-CE1 4.39Å; L153-F159 HydrophobicContact CD2-CB 4.03Å; L153-F159 HydrophobicContact CD2-CD2 4.23Å; L153-F159 HydrophobicContact CD2-CG 4.07Å; N156-F159 HydrophobicContact CB-CD2 4.13Å; N156-F159 HydrophobicContact CB-CE2 4.33Å; N156-F159 PolarHBondContact O-N 2.92Å; N156-F159 VanDerWaalsContact O-N 3.14Å; K157-F159 PolarHBondContact O-N 2.83Å; F159-W175 HydrophobicContact CB-CE3 4.17Å; F159-W175 HydrophobicContact CB-CZ3 4.5Å; F159-M176 WeakPolarHBondContact CA-O 3.49Å; F159-V177 HydrophobicContact CD1-CG2 4.43Å; F159-V177 HydrophobicContact CE1-CG2 4.35Å |
| 160 | I | 96.7 | Very high | 94.7 | Very high | 65 Ų | 65 | 82.9 Ų | 82.9 | 33% | 0.333 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137.9 | -179.3 | 60.7 | 173 | 0 | 0 | 0 | 109.5 | V162 W175 M176 D178 | I160-V162 HydrophobicContact CD1-CG2 4.22Å; I160-V162 HydrophobicContact CG1-CG2 4.14Å; I160-W175 WeakPolarHBondContact O-CA 3.38Å; I160-M176 HydrophobicContact CD1-CB 4.14Å; I160-M176 HydrophobicContact CG1-CB 3.78Å; I160-M176 PolarHBondContact N-O 3Å; I160-M176 PolarHBondContact O-N 3.3Å; I160-D178 HydrophobicContact CG2-CB 4.1Å |
| 161 | K | 97.4 | Very high | 94.5 | Very high | 132 Ų | 132 | 88.4 Ų | 88.4 | 57% | 0.574 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 116.9 | 176.2 | -173.7 | -176.2 | 70.7 | 177.9 | 0 | 108.9 | N173 W175 | K161-N173 HydrophobicContact CD-CB 4.2Å; K161-N173 HydrophobicContact CG-CB 3.62Å; K161-W175 HydrophobicContact CB-CE3 4.27Å; K161-W175 HydrophobicContact CB-CH2 4.04Å; K161-W175 HydrophobicContact CB-CZ2 4.47Å; K161-W175 HydrophobicContact CB-CZ3 3.93Å; K161-W175 HydrophobicContact CG-CH2 4.4Å; K161-W175 HydrophobicContact CG-CZ2 4.37Å |
| 162 | V | 96.1 | Very high | 94.3 | Very high | 39 Ų | 39 | 86.7 Ų | 86.7 | 24% | 0.236 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121 | -177.4 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | I160 Y174 M176 | I160-V162 HydrophobicContact CD1-CG2 4.22Å; I160-V162 HydrophobicContact CG1-CG2 4.14Å; V162-Y174 PolarHBondContact N-O 3.44Å; V162-Y174 PolarHBondContact O-N 3.46Å; V162-M176 HydrophobicContact CB-SD 4.22Å; V162-M176 HydrophobicContact CG1-SD 4.29Å; V162-M176 HydrophobicContact CG2-CB 4.19Å; V162-M176 HydrophobicContact CG2-CG 3.96Å; V162-M176 HydrophobicContact CG2-SD 3.65Å |
| 163 | P | 96 | Very high | 94.3 | Very high | 99 Ų | 99 | 88.9 Ų | 88.9 | 64% | 0.643 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 149.9 | 174.5 | -23.4 | 34.1 | 0 | 0 | 0 | 111.9 | ||
| 164 | R | 95.5 | Very high | 94.3 | Very high | 54 Ų | 54 | 90.1 Ų | 90.1 | 20% | 0.204 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 154.7 | 173.3 | -66.1 | -176.3 | 176.4 | -91 | 4.1 | 110.8 | G170 K171 G172 Y174 | R164-G170 VanDerWaalsContact CD-O 3.32Å; R164-G170 WeakPolarHBondContact CD-O 3.21Å; R164-G170 PolarHBondContact NE-O 3.28Å; R164-K171 PolarHBondContact NE-O 2.92Å; R164-K171 PolarHBondContact NH2-O 3.45Å; R164-G172 VanDerWaalsContact CD-O 3.23Å; R164-G172 WeakPolarHBondContact CD-O 3.43Å; R164-G172 WeakPolarHBondContact CG-O 3.46Å; R164-G172 PolarHBondContact NE-O 3.46Å; R164-Y174 HydrophobicContact CB-CE2 4.44Å; R164-Y174 HydrophobicContact CG-CD2 3.91Å; R164-Y174 HydrophobicContact CG-CE2 3.81Å; R164-Y174 PolarHBondContact NH1-OH 3.01Å |
| 165 | H | 93.3 | Very high | 94.4 | Very high | 110 Ų | 110 | 87.4 Ų | 87.4 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 150.6 | 169 | -161.8 | -102.4 | 0 | 0 | 0 | 110 | D167 D168 | H165-D167 IonicContact CE1-OD2 2.9Å; H165-D167 PolarHBondContact CE1-OD2 3.02Å; H165-D167 WeakPolarHBondContact ND1-CB 3.31Å; H165-D167 VanDerWaalsContact ND1-CG 3.32Å; H165-D167 PolarHBondContact ND1-N 3.38Å; H165-D167 IonicContact ND1-OD2 2.98Å; H165-D167 PolarHBondContact ND1-OD2 3.44Å; H165-D167 PolarHBondContact O-N 3.48Å; H165-D168 PolarHBondContact O-N 3.07Å |
| 166 | Y | 91.3 | Very high | 94.5 | Very high | 224 Ų | 224 | 84.3 Ų | 84.3 | 88% | 0.878 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.8 | -179.8 | -60.2 | -74.8 | 0 | 0 | 0 | 112.9 | D168 | Y166-D168 VanDerWaalsContact C-N 3.31Š|
| 167 | D | 93.2 | Very high | 94.7 | Very high | 124 Ų | 124 | 82.7 Ų | 82.7 | 66% | 0.663 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -12.7 | 179 | -57.1 | -28.2 | 0 | 0 | 0 | 113.7 | H165 P169 | H165-D167 IonicContact CE1-OD2 2.9Å; H165-D167 PolarHBondContact CE1-OD2 3.02Å; H165-D167 WeakPolarHBondContact ND1-CB 3.31Å; H165-D167 VanDerWaalsContact ND1-CG 3.32Å; H165-D167 PolarHBondContact ND1-N 3.38Å; H165-D167 IonicContact ND1-OD2 2.98Å; H165-D167 PolarHBondContact ND1-OD2 3.44Å; H165-D167 PolarHBondContact O-N 3.48Å; D167-P169 VanDerWaalsContact C-CD 3.49Å; D167-P169 WeakPolarHBondContact O-CD 3.27Å |
| 168 | D | 89.9 | Confident | 94.7 | Very high | 75 Ų | 75 | 75.9 Ų | 75.9 | 40% | 0.401 | 40% | 0.395 | S | S | . | . | trans | -112 | 81.7 | -178.1 | -68.8 | -38.1 | 0 | 0 | 0 | 110.9 | H165 Y166 G170 | H165-D168 PolarHBondContact O-N 3.07Å; Y166-D168 VanDerWaalsContact C-N 3.31Å; D168-G170 PolarHBondContact O-N 3.48Å | ||
| 169 | P | 89.9 | Confident | 94.7 | Very high | 131 Ų | 131 | 79.9 Ų | 79.9 | 85% | 0.851 | 42% | 0.42 | S | S | * | . | trans | -68.4 | 94.1 | 178.3 | 28.8 | -34.7 | 0 | 0 | 0 | 110.1 | D167 | D167-P169 VanDerWaalsContact C-CD 3.49Å; D167-P169 WeakPolarHBondContact O-CD 3.27Å | ||
| 170 | G | 93.1 | Very high | 94.2 | Very high | 39 Ų | 39 | 82.8 Ų | 82.8 | 40% | 0.402 | 44% | 0.442 | S | S | . | . | trans | -136.4 | 154.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R164 D168 G172 | R164-G170 VanDerWaalsContact CD-O 3.32Å; R164-G170 WeakPolarHBondContact CD-O 3.21Å; R164-G170 PolarHBondContact NE-O 3.28Å; D168-G170 PolarHBondContact O-N 3.48Å; G170-G172 PolarHBondContact O-N 3.01Å | ||
| 171 | K | 93.1 | Very high | 93.7 | Very high | 199 Ų | 199 | 79.7 Ų | 79.7 | 87% | 0.865 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -69.8 | 130.8 | 178.8 | -174.2 | 174.5 | -178.7 | 174.6 | 0 | 111.6 | R164 | R164-K171 PolarHBondContact NE-O 2.92Å; R164-K171 PolarHBondContact NH2-O 3.45Å |
| 172 | G | 94.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 77.3 Ų | 77.3 | 46% | 0.464 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 76.3 | -166.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | R164 G170 | R164-G172 VanDerWaalsContact CD-O 3.23Å; R164-G172 WeakPolarHBondContact CD-O 3.43Å; R164-G172 WeakPolarHBondContact CG-O 3.46Å; R164-G172 PolarHBondContact NE-O 3.46Å; G170-G172 PolarHBondContact O-N 3.01Å |
| 173 | N | 96.6 | Very high | 92.4 | Very high | 60 Ų | 60 | 79.6 Ų | 79.6 | 32% | 0.321 | 43% | 0.428 | S | S | . | . | trans | -109.4 | 162.2 | -178.4 | -62.1 | -79.9 | 0 | 0 | 0 | 110.5 | K161 | K161-N173 HydrophobicContact CD-CB 4.2Å; K161-N173 HydrophobicContact CG-CB 3.62Å | ||
| 174 | Y | 97.2 | Very high | 91.6 | Very high | 29 Ų | 29 | 74.9 Ų | 74.9 | 11% | 0.114 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 146.8 | 164.8 | -72.1 | -70.9 | 0 | 0 | 0 | 110 | R121 T123 V162 R164 | R121-Y174 HydrophobicContact CB-CD1 4.31Å; R121-Y174 HydrophobicContact CG-CD1 3.91Å; R121-Y174 HydrophobicContact CG-CE1 4.32Å; R121-Y174 HydrophobicContact CG-CG 4.32Å; T123-Y174 HydrophobicContact CG2-CD1 3.91Å; T123-Y174 HydrophobicContact CG2-CE1 3.76Å; V162-Y174 PolarHBondContact N-O 3.44Å; V162-Y174 PolarHBondContact O-N 3.46Å; R164-Y174 HydrophobicContact CB-CE2 4.44Å; R164-Y174 HydrophobicContact CG-CD2 3.91Å; R164-Y174 HydrophobicContact CG-CE2 3.81Å; R164-Y174 PolarHBondContact NH1-OH 3.01Å |
| 175 | W | 97.9 | Very high | 90.9 | Very high | 38 Ų | 38 | 75.9 Ų | 75.9 | 14% | 0.144 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.7 | 170.5 | -68.5 | 93.5 | 0 | 0 | 0 | 108.5 | I114 R121 L122 I127 L153 F159 I160 K161 | I114-W175 HydrophobicContact CD1-CB 4.32Å; R121-W175 WeakPolarHBondContact CA-O 3.43Å; L122-W175 PolarHBondContact N-O 2.87Å; L122-W175 WeakPolarHBondContact O-CB 3.47Å; L122-W175 PolarHBondContact O-N 3.46Å; I127-W175 HydrophobicContact CD1-CB 4.36Å; L153-W175 HydrophobicContact CB-CD2 4.25Å; L153-W175 HydrophobicContact CB-CE3 4.07Å; L153-W175 HydrophobicContact CB-CH2 3.73Å; L153-W175 HydrophobicContact CB-CZ2 3.93Å; L153-W175 HydrophobicContact CB-CZ3 3.81Å; L153-W175 HydrophobicContact CD1-CD2 4.17Å; L153-W175 HydrophobicContact CD1-CG 4.37Å; L153-W175 HydrophobicContact CD1-CZ2 4.32Å; L153-W175 HydrophobicContact CD2-CB 4.35Å; L153-W175 HydrophobicContact CD2-CD2 3.84Å; L153-W175 HydrophobicContact CD2-CE3 3.87Å; L153-W175 HydrophobicContact CD2-CG 4.07Å; L153-W175 HydrophobicContact CD2-CZ3 4.44Å; L153-W175 HydrophobicContact CG-CD2 4.32Å; L153-W175 HydrophobicContact CG-CE3 4.45Å; L153-W175 WeakPolarHBondContact O-CZ3 3.34Å; F159-W175 HydrophobicContact CB-CE3 4.17Å; F159-W175 HydrophobicContact CB-CZ3 4.5Å; I160-W175 WeakPolarHBondContact O-CA 3.38Å; K161-W175 HydrophobicContact CB-CE3 4.27Å; K161-W175 HydrophobicContact CB-CH2 4.04Å; K161-W175 HydrophobicContact CB-CZ2 4.47Å; K161-W175 HydrophobicContact CB-CZ3 3.93Å; K161-W175 HydrophobicContact CG-CH2 4.4Å; K161-W175 HydrophobicContact CG-CZ2 4.37Å |
| 176 | M | 97 | Very high | 90.3 | Very high | 55 Ų | 55 | 72.5 Ų | 72.5 | 27% | 0.271 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 158.5 | 179.1 | -67.3 | 179.9 | 65.8 | 0 | 0 | 109.9 | R121 F159 I160 V162 | R121-M176 HydrophobicContact CB-CG 3.41Å; R121-M176 VanDerWaalsContact CB-CG 3.41Å; R121-M176 HydrophobicContact CB-SD 3.95Å; F159-M176 WeakPolarHBondContact CA-O 3.49Å; I160-M176 HydrophobicContact CD1-CB 4.14Å; I160-M176 HydrophobicContact CG1-CB 3.78Å; I160-M176 PolarHBondContact N-O 3Å; I160-M176 PolarHBondContact O-N 3.3Å; V162-M176 HydrophobicContact CB-SD 4.22Å; V162-M176 HydrophobicContact CG1-SD 4.29Å; V162-M176 HydrophobicContact CG2-CB 4.19Å; V162-M176 HydrophobicContact CG2-CG 3.96Å; V162-M176 HydrophobicContact CG2-SD 3.65Å |
| 177 | V | 95.7 | Very high | 89.5 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 133.4 | 168.6 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | M111 I114 C158 F159 C181 | M111-V177 HydrophobicContact CE-CG1 4.18Å; M111-V177 HydrophobicContact CG-CG2 4.49Å; I114-V177 HydrophobicContact CB-CG2 4.05Å; I114-V177 HydrophobicContact CD1-CG2 4.14Å; I114-V177 HydrophobicContact CG2-CG2 3.87Å; C158-V177 CarbonylContact O-C 3.58Å; C158-V177 WeakPolarHBondContact O-CA 3.45Å; F159-V177 HydrophobicContact CD1-CG2 4.43Å; F159-V177 HydrophobicContact CE1-CG2 4.35Å; V177-C181 HydrophobicContact CG1-CB 4.12Å |
| 178 | D | 95.2 | Very high | 88.4 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | trans | -60.2 | 129.7 | 170.5 | 177.8 | -2.6 | 0 | 0 | 0 | 109 | C158 I160 S180 C181 E182 | C158-D178 PolarHBondContact O-N 2.88Å; I160-D178 HydrophobicContact CG2-CB 4.1Å; D178-S180 PolarHBondContact O-N 2.8Å; D178-S180 PolarHBondContact OD1-N 3.33Å; D178-S180 PolarHBondContact OD1-OG 3.22Å; D178-S180 PolarHBondContact OD2-OG 2.86Å; D178-C181 CarbonylContact O-C 3.58Å; D178-C181 WeakPolarHBondContact O-CA 3.46Å; D178-C181 PolarHBondContact O-N 3.15Å; D178-E182 PolarHBondContact O-N 2.89Å; D178-E182 VanDerWaalsContact O-N 3.14Å | ||
| 179 | P | 91.8 | Very high | 87.2 | Confident | 97 Ų | 97 | 64 Ų | 64 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -46.7 | -32.2 | 173.2 | -30.2 | 35.1 | 0 | 0 | 0 | 114 | C181 E182 | P179-C181 VanDerWaalsContact C-N 3.25Å; P179-C181 PolarHBondContact O-N 2.98Å; P179-E182 WeakPolarHBondContact O-CB 3.23Å; P179-E182 PolarHBondContact O-N 3.49Å |
| 180 | S | 87.7 | Confident | 86.3 | Confident | 71 Ų | 71 | 60.9 Ų | 60.9 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -66.4 | -25 | 176.8 | 83.2 | 0 | 0 | 0 | 0 | 114.1 | D178 | D178-S180 PolarHBondContact O-N 2.8Å; D178-S180 PolarHBondContact OD1-N 3.33Å; D178-S180 PolarHBondContact OD1-OG 3.22Å; D178-S180 PolarHBondContact OD2-OG 2.86Å |
| 181 | C | 86.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -101.5 | -5.2 | 177.4 | -64.4 | 0 | 0 | 0 | 0 | 113 | C158 V177 D178 P179 D183 A184 R195 | C158-C181 WeakPolarHBondContact CA-SG 3.43Å; C158-C181 HydrophobicContact CB-CB 3.56Å; C158-C181 WeakPolarHBondContact CB-SG 3.38Å; C158-C181 WeakPolarHBondContact SG-CB 3.45Å; C158-C181 CovalentContact SG-SG 2.05Å; C158-C181 PolarHBondContact SG-SG 2.97Å; V177-C181 HydrophobicContact CG1-CB 4.12Å; D178-C181 CarbonylContact O-C 3.58Å; D178-C181 WeakPolarHBondContact O-CA 3.46Å; D178-C181 PolarHBondContact O-N 3.15Å; P179-C181 VanDerWaalsContact C-N 3.25Å; P179-C181 PolarHBondContact O-N 2.98Å; C181-D183 PolarHBondContact O-N 3.41Å; C181-A184 WeakPolarHBondContact O-CB 3.2Å; C181-A184 PolarHBondContact O-N 3.4Å; C181-R195 PolarHBondContact SG-NH2 3.01Å |
| 182 | E | 84.1 | Confident | 84.7 | Confident | 81 Ų | 81 | 56.3 Ų | 56.3 | 38% | 0.379 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.6 | 178.4 | -160.3 | 75.1 | -118 | 0 | 0 | 111.7 | R115 D178 P179 A184 | R115-E182 IonicContact NE-OE1 3.74Å; R115-E182 PolarHBondContact NH2-O 3.47Å; D178-E182 PolarHBondContact O-N 2.89Å; D178-E182 VanDerWaalsContact O-N 3.14Å; P179-E182 WeakPolarHBondContact O-CB 3.23Å; P179-E182 PolarHBondContact O-N 3.49Å; E182-A184 VanDerWaalsContact C-N 3.28Å; E182-A184 PolarHBondContact O-N 3.39Å |
| 183 | D | 81.3 | Confident | 83.8 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 47% | 0.465 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -9.4 | 173.6 | -92.2 | -39.9 | 0 | 0 | 0 | 114.8 | C181 F185 R196 | C181-D183 PolarHBondContact O-N 3.41Å; D183-F185 PolarHBondContact O-N 3.48Å; D183-R196 PolarHBondContact O-NH2 3.02Å; D183-R196 IonicContact OD1-CZ 3.53Å; D183-R196 IonicContact OD1-NH1 3.53Å; D183-R196 PolarHBondContact OD1-NH1 3.13Å; D183-R196 IonicContact OD1-NH2 2.71Å; D183-R196 PolarHBondContact OD1-NH2 3Å |
| 184 | A | 79.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | trans | -73.7 | 127.5 | -178 | 0 | 0 | 0 | 0 | 0 | 110 | M111 R115 C181 E182 L193 R194 R195 | M111-A184 HydrophobicContact CE-CB 4.25Å; M111-A184 HydrophobicContact SD-CB 4.48Å; R115-A184 VanDerWaalsContact CZ-O 3.26Å; R115-A184 PolarHBondContact NH1-O 3.17Å; R115-A184 PolarHBondContact NH2-O 2.84Å; C181-A184 WeakPolarHBondContact O-CB 3.2Å; C181-A184 PolarHBondContact O-N 3.4Å; E182-A184 VanDerWaalsContact C-N 3.28Å; E182-A184 PolarHBondContact O-N 3.39Å; A184-L193 HydrophobicContact CB-CD1 3.49Å; A184-L193 VanDerWaalsContact CB-CD1 3.49Å; A184-L193 HydrophobicContact CB-CD2 4.02Å; A184-L193 HydrophobicContact CB-CG 3.76Å; A184-R194 WeakPolarHBondContact CA-O 3.33Å; A184-R195 HydrophobicContact CB-CG 4.07Å | ||
| 185 | F | 80.4 | Confident | 81.7 | Confident | 75 Ų | 75 | 66.3 Ų | 66.3 | 33% | 0.329 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 146.7 | -178.6 | 64.2 | -83.6 | 0 | 0 | 0 | 110.2 | D183 G187 R194 R196 | D183-F185 PolarHBondContact O-N 3.48Å; F185-G187 PolarHBondContact O-N 2.65Å; F185-R194 VanDerWaalsContact CD1-O 3.24Å; F185-R194 WeakPolarHBondContact CD1-O 3.35Å; F185-R194 HydrophobicContact CE1-CB 4.08Å; F185-R194 WeakPolarHBondContact CE1-O 3.45Å; F185-R194 HydrophobicContact CE2-CB 4.09Å; F185-R194 HydrophobicContact CZ-CB 3.77Å; F185-R194 PolarHBondContact N-O 3.43Å; F185-R194 PolarHBondContact O-N 3.34Å; F185-R196 HydrophobicContact CD1-CG 3.85Å; F185-R196 HydrophobicContact CE1-CG 3.64Å |
| 186 | I | 81.1 | Confident | 80.3 | Confident | 38 Ų | 38 | 70.3 Ų | 70.3 | 20% | 0.195 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 114.3 | 172 | -58.6 | 169 | 0 | 0 | 0 | 105.7 | F104 A108 M112 S188 | F104-I186 HydrophobicContact CD1-CG2 3.94Å; F104-I186 HydrophobicContact CE1-CG2 3.89Å; A108-I186 HydrophobicContact CB-CD1 4.34Å; A108-I186 HydrophobicContact CB-CG1 4.16Å; A108-I186 HydrophobicContact CB-CG2 4.09Å; M112-I186 HydrophobicContact CB-CD1 4.01Å; I186-S188 PolarHBondContact O-N 2.99Å; I186-S188 VanDerWaalsContact O-N 3.09Å |
| 187 | G | 74.7 | Confident | 78.7 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | trans | -68.8 | 110 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | F185 S189 T190 G191 K192 | F185-G187 PolarHBondContact O-N 2.65Å; G187-S189 PolarHBondContact O-N 3.43Å; G187-T190 PolarHBondContact O-N 2.79Å; G187-T190 PolarHBondContact O-OG1 3.14Å; G187-G191 PolarHBondContact O-N 2.9Å; G187-K192 PolarHBondContact N-O 2.64Å | ||
| 188 | S | 69 | Low | 77.3 | Confident | 126 Ų | 126 | 75.1 Ų | 75.1 | 88% | 0.881 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -30.8 | -172.8 | -45 | 0 | 0 | 0 | 0 | 114.1 | I186 | I186-S188 PolarHBondContact O-N 2.99Å; I186-S188 VanDerWaalsContact O-N 3.09Å |
| 189 | S | 66.3 | Low | 76 | Confident | 115 Ų | 115 | 75 Ų | 75 | 80% | 0.804 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -13.8 | 178.9 | 59.9 | 0 | 0 | 0 | 0 | 115.5 | G187 | G187-S189 PolarHBondContact O-N 3.43Š|
| 190 | T | 69.7 | Low | 74.8 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 40% | 0.399 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | -17.7 | -173.9 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | G187 K192 | G187-T190 PolarHBondContact O-N 2.79Å; G187-T190 PolarHBondContact O-OG1 3.14Å; T190-K192 PolarHBondContact O-N 2.99Å |
| 191 | G | 73.7 | Confident | 73.8 | Confident | 2 Ų | 2 | 79.2 Ų | 79.2 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | trans | 49.7 | 19.1 | -170 | 0 | 0 | 0 | 0 | 0 | 115.4 | P103 S105 A108 G187 | P103-G191 VanDerWaalsContact O-CA 3.22Å; P103-G191 WeakPolarHBondContact O-CA 3.35Å; S105-G191 PolarHBondContact N-O 3.19Å; S105-G191 PolarHBondContact OG-O 2.71Å; A108-G191 WeakPolarHBondContact CB-O 3.37Å; G187-G191 PolarHBondContact O-N 2.9Å | ||
| 192 | K | 79.4 | Confident | 73.2 | Confident | 140 Ų | 140 | 83.7 Ų | 83.7 | 61% | 0.609 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -98.8 | 146.4 | 171.2 | -69.7 | -179.4 | -179 | 178.6 | 0 | 109 | G187 T190 R194 | G187-K192 PolarHBondContact N-O 2.64Å; T190-K192 PolarHBondContact O-N 2.99Å; K192-R194 PolarHBondContact O-N 2.91Å |
| 193 | L | 75.3 | Confident | 72.9 | Confident | 47 Ų | 47 | 87.8 Ų | 87.8 | 25% | 0.246 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.6 | 175.4 | -172.2 | 61.4 | 0 | 0 | 0 | 109.9 | M111 A184 | M111-L193 HydrophobicContact CE-CD1 3.76Å; M111-L193 HydrophobicContact CE-CD2 3.39Å; M111-L193 HydrophobicContact CE-CG 4.21Å; M111-L193 HydrophobicContact SD-CD1 3.27Å; M111-L193 WeakPolarHBondContact SD-CD1 3.37Å; M111-L193 HydrophobicContact SD-CD2 4.08Å; M111-L193 HydrophobicContact SD-CG 4.31Å; A184-L193 HydrophobicContact CB-CD1 3.49Å; A184-L193 VanDerWaalsContact CB-CD1 3.49Å; A184-L193 HydrophobicContact CB-CD2 4.02Å; A184-L193 HydrophobicContact CB-CG 3.76Å |
| 194 | R | 78.1 | Confident | 72.7 | Confident | 143 Ų | 143 | 88.5 Ų | 88.5 | 54% | 0.54 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.7 | 176 | -61.6 | -177.4 | 79.1 | 177.7 | 3 | 109.1 | A184 F185 K192 | A184-R194 WeakPolarHBondContact CA-O 3.33Å; F185-R194 VanDerWaalsContact CD1-O 3.24Å; F185-R194 WeakPolarHBondContact CD1-O 3.35Å; F185-R194 HydrophobicContact CE1-CB 4.08Å; F185-R194 WeakPolarHBondContact CE1-O 3.45Å; F185-R194 HydrophobicContact CE2-CB 4.09Å; F185-R194 HydrophobicContact CZ-CB 3.77Å; F185-R194 PolarHBondContact N-O 3.43Å; F185-R194 PolarHBondContact O-N 3.34Å; K192-R194 PolarHBondContact O-N 2.91Å |
| 195 | R | 72.4 | Confident | 72.6 | Confident | 153 Ų | 153 | 92.2 Ų | 92.2 | 58% | 0.577 | 45% | 0.451 | S | S | * | . | trans | -83.9 | 135.7 | 170.7 | -67.5 | -173.4 | -176.6 | -178.5 | 0.1 | 109.1 | C158 C181 A184 N197 | C158-R195 PolarHBondContact SG-NH2 3.27Å; C181-R195 PolarHBondContact SG-NH2 3.01Å; A184-R195 HydrophobicContact CB-CG 4.07Å; R195-N197 PolarHBondContact O-N 3.31Å; R195-N197 VanDerWaalsContact O-N 3.15Å | ||
| 196 | R | 68.2 | Low | 72.7 | Confident | 122 Ų | 122 | 90.9 Ų | 90.9 | 46% | 0.46 | 45% | 0.454 | S | S | . | . | trans | -64.3 | 112.4 | 160.4 | -79.6 | -178.4 | -102.5 | 105.5 | -1.8 | 106.1 | D183 F185 T198 | D183-R196 PolarHBondContact O-NH2 3.02Å; D183-R196 IonicContact OD1-CZ 3.53Å; D183-R196 IonicContact OD1-NH1 3.53Å; D183-R196 PolarHBondContact OD1-NH1 3.13Å; D183-R196 IonicContact OD1-NH2 2.71Å; D183-R196 PolarHBondContact OD1-NH2 3Å; F185-R196 HydrophobicContact CD1-CG 3.85Å; F185-R196 HydrophobicContact CE1-CG 3.64Å; R196-T198 PolarHBondContact O-N 3.4Å | ||
| 197 | N | 64.2 | Low | 72.7 | Confident | 99 Ų | 99 | 93.8 Ų | 93.8 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | trans | -73.6 | 80.5 | 173.5 | -170.4 | -15.3 | 0 | 0 | 0 | 108.1 | R195 A199 H200 R201 | R195-N197 PolarHBondContact O-N 3.31Å; R195-N197 VanDerWaalsContact O-N 3.15Å; N197-A199 PolarHBondContact O-N 3.14Å; N197-A199 WeakPolarHBondContact OD1-CB 3.32Å; N197-A199 PolarHBondContact OD1-N 3.35Å; N197-H200 HydrophobicContact CB-CB 4.06Å; N197-H200 PolarHBondContact O-N 3.45Å; N197-H200 PolarHBondContact OD1-N 2.8Å; N197-R201 PolarHBondContact O-N 3.16Å; N197-R201 VanDerWaalsContact O-N 3.13Å | ||
| 198 | T | 66 | Low | 72.9 | Confident | 64 Ų | 64 | 102.7 Ų | 102.7 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.8 | -34.3 | 177.7 | -53.7 | 0 | 0 | 0 | 0 | 110.1 | R196 H200 R201 I202 | R196-T198 PolarHBondContact O-N 3.4Å; T198-H200 PolarHBondContact O-N 3.45Å; T198-R201 PolarHBondContact O-N 3.04Å; T198-I202 HydrophobicContact CG2-CD1 3.7Å; T198-I202 HydrophobicContact CG2-CG1 4.11Å; T198-I202 WeakPolarHBondContact O-CB 3.4Å; T198-I202 VanDerWaalsContact O-CG1 3.24Å; T198-I202 WeakPolarHBondContact O-CG1 3.43Å; T198-I202 PolarHBondContact O-N 3.47Å |
| 199 | A | 67 | Low | 73.1 | Confident | 44 Ų | 44 | 103.6 Ų | 103.6 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N197 R201 R203 | N197-A199 PolarHBondContact O-N 3.14Å; N197-A199 WeakPolarHBondContact OD1-CB 3.32Å; N197-A199 PolarHBondContact OD1-N 3.35Å; A199-R201 VanDerWaalsContact C-N 3.35Å; A199-R203 VanDerWaalsContact O-CB 3.25Å; A199-R203 WeakPolarHBondContact O-CB 3.11Å; A199-R203 WeakPolarHBondContact O-CG 3.36Å; A199-R203 PolarHBondContact O-N 3.28Å |
| 200 | H | 66.9 | Low | 73.6 | Confident | 109 Ų | 109 | 104.2 Ų | 104.2 | 51% | 0.505 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -37.8 | 174.2 | -173.2 | -82.7 | 0 | 0 | 0 | 111.4 | N197 T198 R203 L204 | N197-H200 HydrophobicContact CB-CB 4.06Å; N197-H200 PolarHBondContact O-N 3.45Å; N197-H200 PolarHBondContact OD1-N 2.8Å; T198-H200 PolarHBondContact O-N 3.45Å; H200-R203 PolarHBondContact O-N 3.18Å; H200-L204 VanDerWaalsContact O-CB 3.24Å; H200-L204 WeakPolarHBondContact O-CB 3.47Å; H200-L204 PolarHBondContact O-N 3.07Å |
| 201 | R | 67.4 | Low | 73.9 | Confident | 147 Ų | 147 | 108 Ų | 108 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67 | -45.4 | 176.9 | -148.9 | -159.9 | 81.4 | -171.6 | -0.3 | 111.7 | N197 T198 A199 L204 E205 | N197-R201 PolarHBondContact O-N 3.16Å; N197-R201 VanDerWaalsContact O-N 3.13Å; T198-R201 PolarHBondContact O-N 3.04Å; A199-R201 VanDerWaalsContact C-N 3.35Å; R201-L204 PolarHBondContact O-N 3.11Å; R201-E205 IonicContact CZ-OE1 2.72Å; R201-E205 IonicContact CZ-OE2 2.8Å; R201-E205 IonicContact NE-OE1 3.22Å; R201-E205 PolarHBondContact NE-OE1 2.79Å; R201-E205 IonicContact NE-OE2 3.6Å; R201-E205 IonicContact NH2-OE1 2.86Å; R201-E205 PolarHBondContact NH2-OE1 3.01Å; R201-E205 IonicContact NH2-OE2 3.47Å; R201-E205 PolarHBondContact NH2-OE2 2.97Å; R201-E205 WeakPolarHBondContact O-CB 3.47Å; R201-E205 WeakPolarHBondContact O-CG 3.42Å; R201-E205 PolarHBondContact O-N 3.33Å |
| 202 | I | 73.7 | Confident | 74 | Confident | 95 Ų | 95 | 109.8 Ų | 109.8 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 174.6 | -68.1 | 170.4 | 0 | 0 | 0 | 110.3 | T198 L204 E205 A206 | T198-I202 HydrophobicContact CG2-CD1 3.7Å; T198-I202 HydrophobicContact CG2-CG1 4.11Å; T198-I202 WeakPolarHBondContact O-CB 3.4Å; T198-I202 VanDerWaalsContact O-CG1 3.24Å; T198-I202 WeakPolarHBondContact O-CG1 3.43Å; T198-I202 PolarHBondContact O-N 3.47Å; I202-L204 PolarHBondContact O-N 3.31Å; I202-E205 PolarHBondContact O-N 3.39Å; I202-A206 VanDerWaalsContact O-CB 3.23Å; I202-A206 WeakPolarHBondContact O-CB 3.26Å; I202-A206 PolarHBondContact O-N 2.95Å |
| 203 | R | 76.3 | Confident | 73.3 | Confident | 166 Ų | 166 | 108 Ų | 108 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 175.7 | -76.4 | 172.3 | -173.4 | 148.4 | 1.2 | 111.9 | A199 H200 A206 L207 | A199-R203 VanDerWaalsContact O-CB 3.25Å; A199-R203 WeakPolarHBondContact O-CB 3.11Å; A199-R203 WeakPolarHBondContact O-CG 3.36Å; A199-R203 PolarHBondContact O-N 3.28Å; H200-R203 PolarHBondContact O-N 3.18Å; R203-A206 PolarHBondContact O-N 3.3Å; R203-L207 WeakPolarHBondContact O-CB 3.44Å; R203-L207 VanDerWaalsContact O-CG 3.31Å; R203-L207 WeakPolarHBondContact O-CG 3.42Å; R203-L207 PolarHBondContact O-N 2.97Å |
| 204 | L | 77.1 | Confident | 72.7 | Confident | 103 Ų | 103 | 116.1 Ų | 116.1 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 178.2 | -164.7 | 74.3 | 0 | 0 | 0 | 111.5 | H200 R201 I202 R208 | H200-L204 VanDerWaalsContact O-CB 3.24Å; H200-L204 WeakPolarHBondContact O-CB 3.47Å; H200-L204 PolarHBondContact O-N 3.07Å; R201-L204 PolarHBondContact O-N 3.11Å; I202-L204 PolarHBondContact O-N 3.31Å; L204-R208 WeakPolarHBondContact O-CB 3.19Å; L204-R208 PolarHBondContact O-N 3.44Å |
| 205 | E | 78.7 | Confident | 71.9 | Confident | 78 Ų | 78 | 116.9 Ų | 116.9 | 36% | 0.364 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 173.6 | -80 | 171.4 | -175.6 | 0 | 0 | 111.2 | R201 I202 R208 F209 | R201-E205 IonicContact CZ-OE1 2.72Å; R201-E205 IonicContact CZ-OE2 2.8Å; R201-E205 IonicContact NE-OE1 3.22Å; R201-E205 PolarHBondContact NE-OE1 2.79Å; R201-E205 IonicContact NE-OE2 3.6Å; R201-E205 IonicContact NH2-OE1 2.86Å; R201-E205 PolarHBondContact NH2-OE1 3.01Å; R201-E205 IonicContact NH2-OE2 3.47Å; R201-E205 PolarHBondContact NH2-OE2 2.97Å; R201-E205 WeakPolarHBondContact O-CB 3.47Å; R201-E205 WeakPolarHBondContact O-CG 3.42Å; R201-E205 PolarHBondContact O-N 3.33Å; I202-E205 PolarHBondContact O-N 3.39Å; E205-R208 PolarHBondContact O-N 3.29Å; E205-F209 WeakPolarHBondContact O-CB 3.38Å; E205-F209 WeakPolarHBondContact O-CD2 3.39Å; E205-F209 PolarHBondContact O-N 2.92Å |
| 206 | A | 80.9 | Confident | 71.2 | Confident | 48 Ų | 48 | 115.7 Ų | 115.7 | 40% | 0.397 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I202 R203 F209 H210 | I202-A206 VanDerWaalsContact O-CB 3.23Å; I202-A206 WeakPolarHBondContact O-CB 3.26Å; I202-A206 PolarHBondContact O-N 2.95Å; R203-A206 PolarHBondContact O-N 3.3Å; A206-F209 PolarHBondContact O-N 2.78Å; A206-H210 WeakPolarHBondContact O-CB 3.48Å; A206-H210 PolarHBondContact O-N 2.62Å |
| 207 | L | 81.7 | Confident | 70.3 | Confident | 98 Ų | 98 | 113 Ų | 113 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.9 | -43.9 | 173.2 | -77.7 | 166.8 | 0 | 0 | 0 | 111.1 | R203 F209 H210 F211 | R203-L207 WeakPolarHBondContact O-CB 3.44Å; R203-L207 VanDerWaalsContact O-CG 3.31Å; R203-L207 WeakPolarHBondContact O-CG 3.42Å; R203-L207 PolarHBondContact O-N 2.97Å; L207-F209 VanDerWaalsContact C-N 3.35Å; L207-F209 PolarHBondContact O-N 3.2Å; L207-H210 PolarHBondContact O-N 3.17Å; L207-F211 WeakPolarHBondContact O-CD2 3.4Å; L207-F211 PolarHBondContact O-N 3.15Å |
| 208 | R | 79 | Confident | 69.6 | Low | 193 Ų | 193 | 115.2 Ų | 115.2 | 73% | 0.728 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.3 | -42 | 176.6 | -178.6 | 179.5 | 165.6 | 83.6 | 2.4 | 111.6 | L204 E205 F211 A212 | L204-R208 WeakPolarHBondContact O-CB 3.19Å; L204-R208 PolarHBondContact O-N 3.44Å; E205-R208 PolarHBondContact O-N 3.29Å; R208-F211 PolarHBondContact O-N 3.41Å; R208-A212 VanDerWaalsContact O-CB 3.23Å; R208-A212 WeakPolarHBondContact O-CB 3.47Å; R208-A212 PolarHBondContact O-N 2.73Å |
| 209 | F | 73.5 | Confident | 68.8 | Low | 144 Ų | 144 | 114.4 Ų | 114.4 | 63% | 0.632 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.5 | -43.8 | 174.1 | -99.5 | -80.7 | 0 | 0 | 0 | 111.9 | E205 A206 L207 F211 A212 N213 | E205-F209 WeakPolarHBondContact O-CB 3.38Å; E205-F209 WeakPolarHBondContact O-CD2 3.39Å; E205-F209 PolarHBondContact O-N 2.92Å; A206-F209 PolarHBondContact O-N 2.78Å; L207-F209 VanDerWaalsContact C-N 3.35Å; L207-F209 PolarHBondContact O-N 3.2Å; F209-F211 PolarHBondContact O-N 3.01Å; F209-A212 PolarHBondContact O-N 3.44Å; F209-N213 WeakPolarHBondContact O-CB 3.42Å; F209-N213 PolarHBondContact O-N 3.36Å |
| 210 | H | 76.4 | Confident | 68.1 | Low | 128 Ų | 128 | 119.3 Ų | 119.3 | 59% | 0.593 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.3 | -44.1 | 175.4 | -100.5 | -67.5 | 0 | 0 | 0 | 112.3 | A206 L207 R214 | A206-H210 WeakPolarHBondContact O-CB 3.48Å; A206-H210 PolarHBondContact O-N 2.62Å; L207-H210 PolarHBondContact O-N 3.17Å; H210-R214 VanDerWaalsContact O-CB 3.3Å; H210-R214 WeakPolarHBondContact O-CB 3.47Å; H210-R214 PolarHBondContact O-N 3.27Å; H210-R214 VanDerWaalsContact O-N 3.09Å |
| 211 | F | 75.5 | Confident | 67 | Low | 144 Ų | 144 | 117.8 Ų | 117.8 | 63% | 0.632 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.9 | -38.8 | 176.8 | -87.8 | -80 | 0 | 0 | 0 | 112.4 | L207 R208 F209 R214 L215 | L207-F211 WeakPolarHBondContact O-CD2 3.4Å; L207-F211 PolarHBondContact O-N 3.15Å; R208-F211 PolarHBondContact O-N 3.41Å; F209-F211 PolarHBondContact O-N 3.01Å; F211-R214 PolarHBondContact O-N 3.05Å; F211-L215 WeakPolarHBondContact O-CB 3.38Å; F211-L215 PolarHBondContact O-N 3.1Å |
| 212 | A | 75.2 | Confident | 66.1 | Low | 41 Ų | 41 | 117.3 Ų | 117.3 | 34% | 0.339 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R208 F209 R214 L215 L216 | R208-A212 VanDerWaalsContact O-CB 3.23Å; R208-A212 WeakPolarHBondContact O-CB 3.47Å; R208-A212 PolarHBondContact O-N 2.73Å; F209-A212 PolarHBondContact O-N 3.44Å; A212-R214 VanDerWaalsContact C-N 3.3Å; A212-R214 PolarHBondContact O-N 3.18Å; A212-L215 PolarHBondContact O-N 3.45Å; A212-L216 WeakPolarHBondContact O-CB 3.47Å; A212-L216 PolarHBondContact O-N 3.49Å |
| 213 | N | 65.3 | Low | 64.9 | Low | 103 Ų | 103 | 119.4 Ų | 119.4 | 55% | 0.551 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.4 | -31.4 | 176.3 | -75.5 | 2 | 0 | 0 | 0 | 112.2 | F209 | F209-N213 WeakPolarHBondContact O-CB 3.42Å; F209-N213 PolarHBondContact O-N 3.36Å |
| 214 | R | 62.9 | Low | 63.5 | Low | 216 Ų | 216 | 116.9 Ų | 116.9 | 82% | 0.815 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.9 | -32.5 | 176.5 | -157 | 177.3 | -140.8 | -112.1 | 3.6 | 112.8 | H210 F211 A212 | H210-R214 VanDerWaalsContact O-CB 3.3Å; H210-R214 WeakPolarHBondContact O-CB 3.47Å; H210-R214 PolarHBondContact O-N 3.27Å; H210-R214 VanDerWaalsContact O-N 3.09Å; F211-R214 PolarHBondContact O-N 3.05Å; A212-R214 VanDerWaalsContact C-N 3.3Å; A212-R214 PolarHBondContact O-N 3.18Å |
| 215 | L | 61.4 | Low | 61.7 | Low | 159 Ų | 159 | 118.3 Ų | 118.3 | 83% | 0.832 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -80.7 | -30.7 | 179.7 | -162.1 | 74.1 | 0 | 0 | 0 | 112.6 | F211 A212 G217 | F211-L215 WeakPolarHBondContact O-CB 3.38Å; F211-L215 PolarHBondContact O-N 3.1Å; A212-L215 PolarHBondContact O-N 3.45Å; L215-G217 VanDerWaalsContact C-N 3.32Å |
| 216 | L | 58.4 | Low | 59.8 | Low | 128 Ų | 128 | 118.5 Ų | 118.5 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -87.1 | 6 | 177.5 | -73.6 | 170.3 | 0 | 0 | 0 | 114.4 | A212 L218 | A212-L216 WeakPolarHBondContact O-CB 3.47Å; A212-L216 PolarHBondContact O-N 3.49Å; L216-L218 PolarHBondContact O-N 3.47Å |
| 217 | G | 48.7 | Very low | 57.8 | Low | 67 Ų | 67 | 119.9 Ų | 119.9 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | trans | 59.9 | 8.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | L215 G219 | L215-G217 VanDerWaalsContact C-N 3.32Å; G217-G219 PolarHBondContact O-N 2.96Å | ||
| 218 | L | 49.7 | Very low | 56.1 | Low | 144 Ų | 144 | 120 Ų | 120 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | trans | -79.2 | 63.9 | 173.4 | -74.5 | 156.7 | 0 | 0 | 0 | 108.6 | L216 | L216-L218 PolarHBondContact O-N 3.47Š| ||
| 219 | G | 48.5 | Very low | 54.4 | Low | 47 Ų | 47 | 115.2 Ų | 115.2 | 49% | 0.485 | 72% | 0.721 | S | S | . | * | trans | -63.7 | 147.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | G217 A221 | G217-G219 PolarHBondContact O-N 2.96Å; G219-A221 PolarHBondContact O-N 3.18Å | ||
| 220 | P | 52.1 | Low | 53.1 | Low | 147 Ų | 147 | 116.6 Ų | 116.6 | 96% | 0.955 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -71.2 | 81.1 | 171.8 | 31.9 | -32.3 | 0 | 0 | 0 | 107.8 | ||
| 221 | A | 44.3 | Very low | 51.3 | Low | 77 Ų | 77 | 113.7 Ų | 113.7 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | -119.8 | 136.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | G219 | G219-A221 PolarHBondContact O-N 3.18Š| ||
| 222 | V | 48.6 | Very low | 50 | Low | 137 Ų | 137 | 115.1 Ų | 115.1 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | 89.1 | 82.1 | 173.4 | -35.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 223 | T | 47.8 | Very low | 48.6 | Very low | 140 Ų | 140 | 119.7 Ų | 119.7 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 117 | 145.6 | -36.9 | 0 | 0 | 0 | 0 | 107 | ||
| 224 | P | 47.9 | Very low | 47.5 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 131.2 | 177 | 29.8 | -30.1 | 0 | 0 | 0 | 109.5 | G226 | P224-G226 PolarHBondContact O-N 2.72Š|
| 225 | C | 38.3 | Very low | 46.9 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 91% | 0.905 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 126.9 | 167 | 46.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 226 | G | 40.3 | Very low | 46 | Very low | 81 Ų | 81 | 114.7 Ų | 114.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 164.3 | 100.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P224 | P224-G226 PolarHBondContact O-N 2.72Š| ||
| 227 | G | 37.9 | Very low | 45.5 | Very low | 78 Ų | 78 | 114.4 Ų | 114.4 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 107.5 | 105 | 146.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 228 | A | 45.5 | Very low | 45.4 | Very low | 101 Ų | 101 | 121.2 Ų | 121.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 74.8 | 100.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 229 | A | 43.5 | Very low | 45 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | 83.6 | 126 | 119.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 230 | L | 47.5 | Very low | 44.8 | Very low | 172 Ų | 172 | 130 Ų | 130 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | 86 | 95.5 | 159.4 | -50.5 | -179 | 0 | 0 | 0 | 117.4 | ||||
| 231 | G | 38.5 | Very low | 44.3 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | 69.7 | 98.1 | 130 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 232 | I | 47.9 | Very low | 44.1 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | 175.7 | 143.2 | 103.4 | 51.3 | -175.2 | 0 | 0 | 0 | 108.5 | |||||
| 233 | T | 45.5 | Very low | 43.6 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -70.5 | 143.6 | -170.9 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 234 | S | 43.3 | Very low | 43.2 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 75.2 | 90.8 | 148.3 | -156.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 235 | V | 48.3 | Very low | 43.3 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -99.1 | 102.6 | 158.3 | -78.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 236 | D | 43.5 | Very low | 43.3 | Very low | 119 Ų | 119 | 134 Ų | 134 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -84.1 | 120.2 | 174.9 | -139.7 | -21.7 | 0 | 0 | 0 | 109 | R238 | D236-R238 PolarHBondContact O-N 3.17Š| ||
| 237 | P | 48.6 | Very low | 43.2 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 32.3 | -170.1 | 31.7 | -34.3 | 0 | 0 | 0 | 113.8 | ||
| 238 | R | 45.1 | Very low | 43.3 | Very low | 211 Ų | 211 | 138.5 Ų | 138.5 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 3.1 | -175.1 | -73.9 | -84.1 | 158.9 | 127.9 | -6.6 | 114.7 | D236 | D236-R238 PolarHBondContact O-N 3.17Š|
| 239 | L | 42.5 | Very low | 43.1 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -91.3 | 5.8 | -176.4 | -82.1 | 165 | 0 | 0 | 0 | 116.3 | T241 | L239-T241 PolarHBondContact O-N 3.37Š| ||
| 240 | F | 43.7 | Very low | 42.9 | Very low | 210 Ų | 210 | 144.5 Ų | 144.5 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -96.6 | 65.8 | 169 | -82.1 | -83.7 | 0 | 0 | 0 | 111.4 | ||||
| 241 | T | 42.2 | Very low | 42.3 | Very low | 111 Ų | 111 | 140 Ų | 140 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | trans | -123.4 | 99.6 | 161.4 | -54.6 | 0 | 0 | 0 | 0 | 108.4 | L239 T243 | L239-T241 PolarHBondContact O-N 3.37Å; T241-T243 PolarHBondContact O-N 2.97Å | ||
| 242 | L | 39.7 | Very low | 42.3 | Very low | 136 Ų | 136 | 145 Ų | 145 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | trans | -65.4 | 94.6 | 171.2 | -74.7 | 171.4 | 0 | 0 | 0 | 109.1 | Y244 | L242-Y244 PolarHBondContact O-N 2.97Š| ||
| 243 | T | 39.1 | Very low | 41.9 | Very low | 123 Ų | 123 | 140 Ų | 140 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -85.7 | 108.3 | 169.9 | -55.5 | 0 | 0 | 0 | 0 | 108.3 | T241 | T241-T243 PolarHBondContact O-N 2.97Š| ||
| 244 | Y | 39.2 | Very low | 41.6 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -72.3 | 133.3 | 173 | -75.8 | -92.4 | 0 | 0 | 0 | 110.1 | L242 N246 | L242-Y244 PolarHBondContact O-N 2.97Å; Y244-N246 PolarHBondContact O-N 3.45Å | ||
| 245 | P | 49.3 | Very low | 41.3 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -75.3 | 116.8 | 170.8 | 29 | -29.4 | 0 | 0 | 0 | 109.5 | ||||
| 246 | N | 38.6 | Very low | 40.7 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -84.6 | 107 | 168.5 | -158.5 | -14.1 | 0 | 0 | 0 | 107.1 | Y244 | Y244-N246 PolarHBondContact O-N 3.45Š| ||
| 247 | L | 38.7 | Very low | 40.4 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -90.3 | 102.8 | 166.7 | -103.2 | 76.5 | 0 | 0 | 0 | 107.1 | ||||
| 248 | A | 40.1 | Very low | 39.8 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | -109.4 | 127.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 249 | D | 39.8 | Very low | 39.7 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -53.8 | 143.3 | 172.7 | -61.4 | -72.8 | 0 | 0 | 0 | 111.4 | ||||
| 250 | D | 39.2 | Very low | 39.5 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | -163.7 | 132.3 | 127.8 | -96.4 | -33.1 | 0 | 0 | 0 | 111.8 | |||||
| 251 | A | 36.3 | Very low | 39.3 | Very low | 79 Ų | 79 | 132.1 Ų | 132.1 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | trans | -83.7 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 252 | L | 38.3 | Very low | 39 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | trans | 84.2 | 140.8 | 169.3 | -45.3 | 177.1 | 0 | 0 | 0 | 113.8 | ||||
| 253 | A | 38.5 | Very low | 39.3 | Very low | 67 Ų | 67 | 134 Ų | 134 | 55% | 0.554 | 77% | 0.766 | S | S | * | * | cis | -178.1 | 154.1 | -12.8 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 254 | M | 39.4 | Very low | 39.4 | Very low | 177 Ų | 177 | 133 Ų | 133 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | 69 | 155.4 | 161.3 | -49.9 | -57.8 | 144.2 | 0 | 0 | 116.7 | ||||
| 255 | N | 37 | Very low | 39.3 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | 172.8 | 151.6 | -24.5 | 175.6 | 34.2 | 0 | 0 | 0 | 103 | ||||
| 256 | S | 36.1 | Very low | 38.9 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | trans | 69 | 144 | 165.1 | 80.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 257 | Q | 36.2 | Very low | 39.1 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | cis | -165.7 | 138.3 | 7 | -140.4 | 147.9 | -4 | 0 | 0 | 106.6 | ||||
| 258 | S | 37.6 | Very low | 39 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -81.4 | 169.9 | 165.2 | 60.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 259 | P | 42.2 | Very low | 39.2 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | -159.4 | 162.1 | 87.9 | 37.8 | -16.8 | 0 | 0 | 0 | 118 | |||||
| 260 | G | 37.5 | Very low | 39.2 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | 108.4 | 111.3 | 129.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 261 | Q | 40.3 | Very low | 39.2 | Very low | 174 Ų | 174 | 129.2 Ų | 129.2 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | -176.2 | 108.2 | 118.2 | -79.4 | -135.9 | -9 | 0 | 0 | 108.2 | |||||
| 262 | L | 36.4 | Very low | 39.2 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | 75.7 | 126.4 | 106 | -71.7 | 175.8 | 0 | 0 | 0 | 112.7 | |||||
| 263 | I | 45.6 | Very low | 39.3 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | cis | -166.3 | 162.5 | 24.8 | -92.1 | 152.5 | 0 | 0 | 0 | 108.5 | ||||
| 264 | P | 40.8 | Very low | 39.4 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | trans | -116.5 | 178.3 | -148.6 | 41.3 | -28.6 | 0 | 0 | 0 | 115.1 | ||||
| 265 | L | 37.6 | Very low | 39.1 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -178.1 | 135.7 | 132 | -103.6 | 141.2 | 0 | 0 | 0 | 113.7 | ||||
| 266 | T | 41.6 | Very low | 39 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | 88.2 | 112.8 | 141.5 | -161.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 267 | N | 42.7 | Very low | 38.9 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | 70.7 | 142.6 | 143.7 | -63.6 | -0.3 | 0 | 0 | 0 | 120.1 | ||||
| 268 | M | 36.4 | Very low | 38.8 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | cis | 176.4 | 141 | -19.2 | -125 | 178.5 | 68.5 | 0 | 0 | 104.7 | ||||
| 269 | V | 44.8 | Very low | 38.7 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | 62.2 | 104.2 | 152.5 | -173 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 270 | D | 38.6 | Very low | 38.5 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | 74.3 | 142.9 | 74.9 | -151.5 | 33.8 | 0 | 0 | 0 | 115.8 | |||||
| 271 | D | 39.6 | Very low | 38.7 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 82.3 | 106.5 | 169.1 | -64.7 | -47.1 | 0 | 0 | 0 | 121 | ||||
| 272 | G | 36.8 | Very low | 38.6 | Very low | 65 Ų | 65 | 137.7 Ų | 137.7 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | 92.4 | 103.1 | 99.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 273 | Q | 40.7 | Very low | 38.8 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | 82.1 | 131.4 | 139.2 | -67.8 | 166.4 | 27.2 | 0 | 0 | 121 | ||||
| 274 | S | 39 | Very low | 38.3 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | 86 | 103.7 | 144.1 | 74 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 275 | G | 33.6 | Very low | 38.7 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | 87.8 | 153.9 | 119.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 276 | I | 34.7 | Very low | 38.7 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 92.6 | 94 | 156 | -44.4 | 174 | 0 | 0 | 0 | 116 | ||||
| 277 | C | 33.4 | Very low | 39 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | 25 | 124.2 | 124.5 | 173.6 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 278 | W | 34.6 | Very low | 39 | Very low | 246 Ų | 246 | 136.4 Ų | 136.4 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | -131.6 | 115.9 | 150.2 | -75.2 | 95.7 | 0 | 0 | 0 | 111.9 | ||||
| 279 | R | 34.9 | Very low | 39.3 | Very low | 214 Ų | 214 | 133.9 Ų | 133.9 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -86.7 | 146.4 | 157.8 | -178.4 | -178.1 | -172 | -127.2 | 3.4 | 107.9 | ||||
| 280 | P | 38.6 | Very low | 39.5 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -86.7 | 140.5 | -178.2 | 32.8 | -30.5 | 0 | 0 | 0 | 112.1 | ||||
| 281 | S | 41.8 | Very low | 39.8 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -123.5 | 135.6 | 175.9 | -165.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 282 | L | 39 | Very low | 39.9 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -76.6 | 141.2 | 173.2 | -75.1 | 153.1 | 0 | 0 | 0 | 111.1 | ||||
| 283 | Q | 40.5 | Very low | 40 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -158.6 | 124.3 | 152.7 | -124.9 | 92.4 | 41.4 | 0 | 0 | 110.3 | ||||
| 284 | G | 35.4 | Very low | 40 | Very low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -92.4 | -179.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 285 | P | 48.3 | Very low | 40.1 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | -150.5 | 139.7 | 126.5 | 32.2 | -12.4 | 0 | 0 | 0 | 117.7 | |||||
| 286 | N | 37.4 | Very low | 40.1 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 22.8 | 134.6 | 130.4 | -155.4 | 18.2 | 0 | 0 | 0 | 124.3 | ||||
| 287 | V | 47.2 | Very low | 40.4 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -177.9 | 115 | 134.5 | -82.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 288 | T | 44.2 | Very low | 40.3 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | 92.8 | 114.3 | 63.7 | -62.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 289 | S | 41.5 | Very low | 40.6 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 66.7 | 144.6 | 152.2 | 67.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 290 | T | 49 | Very low | 40.9 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | cis | -170.4 | 169 | 4.2 | 16.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 291 | P | 46.1 | Very low | 40.7 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -109.9 | 161.6 | -156 | 40.1 | -32.3 | 0 | 0 | 0 | 115.9 | ||||
| 292 | A | 40.8 | Very low | 40.5 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -163.6 | 115.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 293 | T | 39.8 | Very low | 40.5 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 50.9 | 124 | 137 | 45.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 294 | S | 39.6 | Very low | 40.3 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 72.5 | 107.2 | 136.4 | 63.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 295 | S | 42.1 | Very low | 40.5 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | -178.8 | 137.2 | 105.5 | 41 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 296 | S | 33.3 | Very low | 40 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -55.3 | 133.3 | -177.5 | -61.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 297 | S | 41.4 | Very low | 40 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -158.1 | 115.9 | 139.2 | 29 | 0 | 0 | 0 | 0 | 109.5 | I299 | S297-I299 PolarHBondContact O-N 2.9Š| ||
| 298 | S | 31.6 | Very low | 39.3 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -58.3 | 111.8 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 299 | I | 41 | Very low | 39.5 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -101.7 | 98.6 | 157.5 | -60.7 | -72.6 | 0 | 0 | 0 | 106 | S297 L301 | S297-I299 PolarHBondContact O-N 2.9Å; I299-L301 PolarHBondContact O-N 3.39Å | ||
| 300 | H | 39.5 | Very low | 40.3 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | trans | -61.5 | 102.4 | 165.7 | -102.2 | -95 | 0 | 0 | 0 | 107.9 | L302 | H300-L302 PolarHBondContact O-N 2.99Š| ||
| 301 | L | 34.7 | Very low | 40.6 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -69.6 | 82.9 | 166.4 | -145.2 | 79.3 | 0 | 0 | 0 | 107.1 | I299 Q303 | I299-L301 PolarHBondContact O-N 3.39Å; L301-Q303 PolarHBondContact O-N 3.44Å | ||
| 302 | L | 38.6 | Very low | 41.3 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -69.4 | 98.8 | 173.1 | -83.3 | 159.7 | 0 | 0 | 0 | 108.2 | H300 | H300-L302 PolarHBondContact O-N 2.99Š| ||
| 303 | Q | 38.5 | Very low | 42.7 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | trans | -23.7 | 124 | 157.1 | -163.9 | 171.8 | -13.8 | 0 | 0 | 112 | L301 Q305 | L301-Q303 PolarHBondContact O-N 3.44Å; Q303-Q305 PolarHBondContact O-N 2.91Å | ||
| 304 | P | 35.9 | Very low | 43.7 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -66.4 | 104.4 | 169.8 | -4.9 | 19.7 | 0 | 0 | 0 | 106.9 | L306 | P304-L306 PolarHBondContact O-N 2.84Š| ||
| 305 | Q | 39.4 | Very low | 45 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | trans | -57.2 | 105.1 | 165 | -104.1 | -76.2 | -21.5 | 0 | 0 | 107.1 | Q303 Q307 | Q303-Q305 PolarHBondContact O-N 2.91Å; Q305-Q307 PolarHBondContact O-N 3.48Å | ||
| 306 | L | 37.8 | Very low | 46.4 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | -66.7 | 76.7 | 168.8 | -85.6 | 156 | 0 | 0 | 0 | 108.1 | P304 W308 | P304-L306 PolarHBondContact O-N 2.84Å; L306-W308 PolarHBondContact O-N 3.47Å | ||
| 307 | Q | 38.1 | Very low | 48 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | -75.4 | 110.5 | 165.8 | 176.5 | 158.8 | -12 | 0 | 0 | 107.7 | Q305 | Q305-Q307 PolarHBondContact O-N 3.48Š| ||
| 308 | W | 33 | Very low | 49.4 | Very low | 222 Ų | 222 | 135.1 Ų | 135.1 | 84% | 0.841 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 136.4 | 171.8 | -62.7 | 101 | 0 | 0 | 0 | 109.9 | L306 T310 | L306-W308 PolarHBondContact O-N 3.47Å; W308-T310 PolarHBondContact O-N 3.21Å |
| 309 | P | 47.9 | Very low | 51.3 | Low | 113 Ų | 113 | 132.3 Ų | 132.3 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -64 | 121.9 | 176.1 | 25.2 | -30.4 | 0 | 0 | 0 | 109 | I311 | P309-I311 PolarHBondContact O-N 2.96Š|
| 310 | T | 59.2 | Low | 52.6 | Low | 125 Ų | 125 | 129.6 Ų | 129.6 | 77% | 0.767 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 126.1 | 171.1 | -45.5 | 0 | 0 | 0 | 0 | 108.7 | W308 P312 | W308-T310 PolarHBondContact O-N 3.21Å; T310-P312 VanDerWaalsContact O-CD 3.28Å; T310-P312 WeakPolarHBondContact O-CD 3.35Å; T310-P312 VanDerWaalsContact O-N 3.08Å |
| 311 | I | 54.2 | Low | 54.4 | Low | 158 Ų | 158 | 126.2 Ų | 126.2 | 81% | 0.81 | 67% | 0.666 | S | S | * | * | trans | -50.9 | 113.8 | -173.7 | -57.4 | 169.8 | 0 | 0 | 0 | 109.4 | P309 | P309-I311 PolarHBondContact O-N 2.96Š| ||
| 312 | P | 61.7 | Low | 56.3 | Low | 55 Ų | 55 | 122.1 Ų | 122.1 | 36% | 0.357 | 65% | 0.648 | S | S | . | * | trans | -69.1 | 138 | 172.6 | 27 | -29.7 | 0 | 0 | 0 | 108.6 | T310 T316 | T310-P312 VanDerWaalsContact O-CD 3.28Å; T310-P312 WeakPolarHBondContact O-CD 3.35Å; T310-P312 VanDerWaalsContact O-N 3.08Å; P312-T316 HydrophobicContact CB-CG2 3.73Å | ||
| 313 | D | 69 | Low | 58.2 | Low | 109 Ų | 109 | 120.6 Ų | 120.6 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | trans | -45.3 | 149.2 | 172.9 | -175.2 | 12.7 | 0 | 0 | 0 | 110.7 | K315 T316 S317 | D313-K315 PolarHBondContact O-N 3.2Å; D313-T316 WeakPolarHBondContact O-CA 3.3Å; D313-T316 WeakPolarHBondContact O-CB 3.08Å; D313-T316 PolarHBondContact O-N 3.28Å; D313-S317 PolarHBondContact O-N 3.1Å | ||
| 314 | L | 62.2 | Low | 60 | Low | 152 Ų | 152 | 117.4 Ų | 117.4 | 80% | 0.796 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -50.9 | -34.7 | -174 | -121.5 | 85.1 | 0 | 0 | 0 | 112 | L318 | L314-L318 WeakPolarHBondContact O-CB 3.41Å; L314-L318 PolarHBondContact O-N 2.9Å |
| 315 | K | 66.8 | Low | 62 | Low | 167 Ų | 167 | 117.5 Ų | 117.5 | 73% | 0.726 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.7 | -42.5 | 175.9 | -70.6 | -179.8 | 178.4 | 175.2 | 0 | 112.7 | D313 A319 | D313-K315 PolarHBondContact O-N 3.2Å; K315-A319 WeakPolarHBondContact O-CB 3.27Å; K315-A319 PolarHBondContact O-N 3.41Å |
| 316 | T | 70.8 | Confident | 63.9 | Low | 71 Ų | 71 | 114.7 Ų | 114.7 | 44% | 0.436 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.2 | -38.2 | 179.3 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | P312 D313 A319 I320 | P312-T316 HydrophobicContact CB-CG2 3.73Å; D313-T316 WeakPolarHBondContact O-CA 3.3Å; D313-T316 WeakPolarHBondContact O-CB 3.08Å; D313-T316 PolarHBondContact O-N 3.28Å; T316-A319 PolarHBondContact O-N 3.39Å; T316-I320 HydrophobicContact CG2-CD1 4.06Å; T316-I320 VanDerWaalsContact O-CG1 3.25Å; T316-I320 WeakPolarHBondContact O-CG1 3.32Å; T316-I320 PolarHBondContact O-N 2.97Å |
| 317 | S | 65.9 | Low | 65.6 | Low | 57 Ų | 57 | 114.7 Ų | 114.7 | 40% | 0.399 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.5 | -44.6 | 173.4 | -174 | 0 | 0 | 0 | 0 | 112 | D313 A319 I320 V321 | D313-S317 PolarHBondContact O-N 3.1Å; S317-A319 PolarHBondContact O-N 3.33Å; S317-I320 PolarHBondContact O-N 3.47Å; S317-V321 WeakPolarHBondContact O-CG2 3.23Å; S317-V321 PolarHBondContact O-N 3.48Å |
| 318 | L | 72.3 | Confident | 67.4 | Low | 116 Ų | 116 | 111 Ų | 111 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.7 | -39.2 | 175.1 | -171.1 | 68.7 | 0 | 0 | 0 | 112.1 | L314 V321 T322 | L314-L318 WeakPolarHBondContact O-CB 3.41Å; L314-L318 PolarHBondContact O-N 2.9Å; L318-V321 PolarHBondContact O-N 3.33Å; L318-T322 HydrophobicContact CG-CG2 4.5Å; L318-T322 WeakPolarHBondContact O-CB 3.5Å; L318-T322 VanDerWaalsContact O-CG2 3.27Å; L318-T322 WeakPolarHBondContact O-CG2 3.49Å; L318-T322 PolarHBondContact O-N 3.31Å; L318-T322 PolarHBondContact O-OG1 3.49Å |
| 319 | A | 70.3 | Confident | 69.4 | Low | 53 Ų | 53 | 104 Ų | 104 | 44% | 0.438 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.4 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | K315 T316 S317 T322 Q323 | K315-A319 WeakPolarHBondContact O-CB 3.27Å; K315-A319 PolarHBondContact O-N 3.41Å; T316-A319 PolarHBondContact O-N 3.39Å; S317-A319 PolarHBondContact O-N 3.33Å; A319-T322 WeakPolarHBondContact CA-OG1 3.35Å; A319-T322 PolarHBondContact O-OG1 3.4Å; A319-Q323 VanDerWaalsContact O-CB 3.28Å; A319-Q323 WeakPolarHBondContact O-CB 3.24Å; A319-Q323 PolarHBondContact O-N 2.92Å |
| 320 | I | 69.4 | Low | 70.7 | Confident | 91 Ų | 91 | 104.2 Ų | 104.2 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 177 | -68 | 164.7 | 0 | 0 | 0 | 110.7 | T316 S317 T322 Q323 Q324 | T316-I320 HydrophobicContact CG2-CD1 4.06Å; T316-I320 VanDerWaalsContact O-CG1 3.25Å; T316-I320 WeakPolarHBondContact O-CG1 3.32Å; T316-I320 PolarHBondContact O-N 2.97Å; S317-I320 PolarHBondContact O-N 3.47Å; I320-T322 VanDerWaalsContact C-N 3.35Å; I320-T322 PolarHBondContact O-N 2.81Å; I320-Q323 PolarHBondContact O-N 2.78Å; I320-Q324 VanDerWaalsContact O-CB 3.31Å; I320-Q324 WeakPolarHBondContact O-CB 3.41Å; I320-Q324 PolarHBondContact O-N 3.06Å |
| 321 | V | 76.6 | Confident | 71.1 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 53% | 0.527 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -42 | 179.1 | 172 | 0 | 0 | 0 | 0 | 111.2 | S317 L318 Q324 Q325 | S317-V321 WeakPolarHBondContact O-CG2 3.23Å; S317-V321 PolarHBondContact O-N 3.48Å; L318-V321 PolarHBondContact O-N 3.33Å; V321-Q324 PolarHBondContact O-N 3.28Å; V321-Q325 WeakPolarHBondContact O-CB 3.45Å; V321-Q325 PolarHBondContact O-N 3.02Å |
| 322 | T | 75.4 | Confident | 71.7 | Confident | 81 Ų | 81 | 99.4 Ų | 99.4 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.6 | -38.4 | 177.8 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | L318 A319 I320 Q325 L326 | L318-T322 HydrophobicContact CG-CG2 4.5Å; L318-T322 WeakPolarHBondContact O-CB 3.5Å; L318-T322 VanDerWaalsContact O-CG2 3.27Å; L318-T322 WeakPolarHBondContact O-CG2 3.49Å; L318-T322 PolarHBondContact O-N 3.31Å; L318-T322 PolarHBondContact O-OG1 3.49Å; A319-T322 WeakPolarHBondContact CA-OG1 3.35Å; A319-T322 PolarHBondContact O-OG1 3.4Å; I320-T322 VanDerWaalsContact C-N 3.35Å; I320-T322 PolarHBondContact O-N 2.81Å; T322-Q325 PolarHBondContact O-N 3.12Å; T322-L326 WeakPolarHBondContact O-CB 3.31Å; T322-L326 PolarHBondContact O-N 3.18Å |
| 323 | Q | 76.9 | Confident | 71.8 | Confident | 118 Ų | 118 | 103.7 Ų | 103.7 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.3 | -36.8 | 175.8 | -155.2 | -172.3 | 48.2 | 0 | 0 | 112 | A319 I320 L326 R327 | A319-Q323 VanDerWaalsContact O-CB 3.28Å; A319-Q323 WeakPolarHBondContact O-CB 3.24Å; A319-Q323 PolarHBondContact O-N 2.92Å; I320-Q323 PolarHBondContact O-N 2.78Å; Q323-L326 PolarHBondContact O-N 3.34Å; Q323-R327 PolarHBondContact O-N 3.41Å |
| 324 | Q | 77.1 | Confident | 71.6 | Confident | 99 Ų | 99 | 102.9 Ų | 102.9 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 174.7 | -164.4 | 71.8 | 18.3 | 0 | 0 | 111.2 | I320 V321 L326 R327 N328 | I320-Q324 VanDerWaalsContact O-CB 3.31Å; I320-Q324 WeakPolarHBondContact O-CB 3.41Å; I320-Q324 PolarHBondContact O-N 3.06Å; V321-Q324 PolarHBondContact O-N 3.28Å; Q324-L326 VanDerWaalsContact C-N 3.33Å; Q324-L326 PolarHBondContact O-N 3.41Å; Q324-R327 PolarHBondContact O-N 3.15Å; Q324-N328 PolarHBondContact O-N 3.16Å |
| 325 | Q | 77.5 | Confident | 71.5 | Confident | 119 Ų | 119 | 101.8 Ų | 101.8 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | 174.4 | -163.4 | 81.9 | -29.3 | 0 | 0 | 111 | V321 T322 N328 E329 | V321-Q325 WeakPolarHBondContact O-CB 3.45Å; V321-Q325 PolarHBondContact O-N 3.02Å; T322-Q325 PolarHBondContact O-N 3.12Å; Q325-N328 PolarHBondContact O-N 2.91Å; Q325-E329 WeakPolarHBondContact O-CG 3.36Å; Q325-E329 PolarHBondContact O-N 2.94Å |
| 326 | L | 79.7 | Confident | 71.1 | Confident | 106 Ų | 106 | 96.8 Ų | 96.8 | 56% | 0.555 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 176.4 | -163 | 76.9 | 0 | 0 | 0 | 111.9 | T322 Q323 Q324 E329 Q330 | T322-L326 WeakPolarHBondContact O-CB 3.31Å; T322-L326 PolarHBondContact O-N 3.18Å; Q323-L326 PolarHBondContact O-N 3.34Å; Q324-L326 VanDerWaalsContact C-N 3.33Å; Q324-L326 PolarHBondContact O-N 3.41Å; L326-E329 PolarHBondContact O-N 3.31Å; L326-Q330 WeakPolarHBondContact O-CB 3.39Å; L326-Q330 WeakPolarHBondContact O-CG 3.49Å; L326-Q330 PolarHBondContact O-N 3.36Å |
| 327 | R | 74.3 | Confident | 70.7 | Confident | 150 Ų | 150 | 96.4 Ų | 96.4 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -41.9 | 174.3 | -83.3 | -172.3 | 171.9 | 146.8 | -1.7 | 112.6 | Q323 Q324 E329 Q330 A331 | Q323-R327 PolarHBondContact O-N 3.41Å; Q324-R327 PolarHBondContact O-N 3.15Å; R327-E329 VanDerWaalsContact C-N 3.32Å; R327-E329 PolarHBondContact O-N 2.98Å; R327-Q330 PolarHBondContact O-N 2.97Å; R327-A331 WeakPolarHBondContact O-CB 3.47Å; R327-A331 PolarHBondContact O-N 3.45Å |
| 328 | N | 75.9 | Confident | 70.4 | Confident | 82 Ų | 82 | 96.6 Ų | 96.6 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 177.2 | -76.6 | -12.2 | 0 | 0 | 0 | 112 | Q324 Q325 K332 | Q324-N328 PolarHBondContact O-N 3.16Å; Q325-N328 PolarHBondContact O-N 2.91Å; N328-K332 WeakPolarHBondContact O-CG 3.39Å; N328-K332 PolarHBondContact O-N 3.34Å |
| 329 | E | 74.6 | Confident | 69.8 | Low | 74 Ų | 74 | 93.8 Ų | 93.8 | 35% | 0.346 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.7 | -43.8 | 173.6 | -70.6 | -61.6 | 124.6 | 0 | 0 | 111.3 | Q325 L326 R327 A331 K332 F333 | Q325-E329 WeakPolarHBondContact O-CG 3.36Å; Q325-E329 PolarHBondContact O-N 2.94Å; L326-E329 PolarHBondContact O-N 3.31Å; R327-E329 VanDerWaalsContact C-N 3.32Å; R327-E329 PolarHBondContact O-N 2.98Å; E329-A331 VanDerWaalsContact C-N 3.29Å; E329-A331 PolarHBondContact O-N 3.48Å; E329-K332 WeakPolarHBondContact O-CB 3.4Å; E329-K332 PolarHBondContact O-N 2.92Å; E329-K332 VanDerWaalsContact O-N 3.1Å; E329-K332 IonicContact OE1-NZ 3.02Å; E329-K332 PolarHBondContact OE1-NZ 3.33Å; E329-F333 WeakPolarHBondContact O-CD2 3.28Å; E329-F333 PolarHBondContact O-N 2.92Å |
| 330 | Q | 74.2 | Confident | 69.2 | Low | 119 Ų | 119 | 94.2 Ų | 94.2 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.5 | -37.6 | 174.9 | -76.5 | -174.3 | -13.9 | 0 | 0 | 112.9 | L326 R327 K332 F333 T334 | L326-Q330 WeakPolarHBondContact O-CB 3.39Å; L326-Q330 WeakPolarHBondContact O-CG 3.49Å; L326-Q330 PolarHBondContact O-N 3.36Å; R327-Q330 PolarHBondContact O-N 2.97Å; Q330-K332 VanDerWaalsContact C-N 3.29Å; Q330-K332 PolarHBondContact O-N 3.45Å; Q330-F333 PolarHBondContact O-N 3.45Å; Q330-T334 PolarHBondContact O-N 2.93Å; Q330-T334 PolarHBondContact O-OG1 3.47Å |
| 331 | A | 68.3 | Low | 68.7 | Low | 52 Ų | 52 | 92.8 Ų | 92.8 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -32.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | R327 E329 T334 L335 | R327-A331 WeakPolarHBondContact O-CB 3.47Å; R327-A331 PolarHBondContact O-N 3.45Å; E329-A331 VanDerWaalsContact C-N 3.29Å; E329-A331 PolarHBondContact O-N 3.48Å; A331-T334 WeakPolarHBondContact CA-OG1 3.4Å; A331-T334 PolarHBondContact O-OG1 2.79Å; A331-L335 WeakPolarHBondContact O-CB 3.31Å; A331-L335 PolarHBondContact O-N 3Å |
| 332 | K | 66.7 | Low | 67.8 | Low | 129 Ų | 129 | 91.7 Ų | 91.7 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.2 | -37.7 | 174.7 | -66.4 | 170.4 | -171.7 | 170.1 | 0 | 111.5 | N328 E329 Q330 A336 | N328-K332 WeakPolarHBondContact O-CG 3.39Å; N328-K332 PolarHBondContact O-N 3.34Å; E329-K332 WeakPolarHBondContact O-CB 3.4Å; E329-K332 PolarHBondContact O-N 2.92Å; E329-K332 VanDerWaalsContact O-N 3.1Å; E329-K332 IonicContact OE1-NZ 3.02Å; E329-K332 PolarHBondContact OE1-NZ 3.33Å; Q330-K332 VanDerWaalsContact C-N 3.29Å; Q330-K332 PolarHBondContact O-N 3.45Å; K332-A336 PolarHBondContact O-N 2.85Å |
| 333 | F | 63.1 | Low | 66.9 | Low | 145 Ų | 145 | 91.1 Ų | 91.1 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -73.5 | -36.1 | 178 | -70.1 | -71 | 0 | 0 | 0 | 112.9 | E329 Q330 A336 A337 | E329-F333 WeakPolarHBondContact O-CD2 3.28Å; E329-F333 PolarHBondContact O-N 2.92Å; Q330-F333 PolarHBondContact O-N 3.45Å; F333-A336 PolarHBondContact O-N 2.85Å; F333-A337 VanDerWaalsContact O-CB 3.3Å; F333-A337 WeakPolarHBondContact O-CB 3.25Å; F333-A337 PolarHBondContact O-N 3.17Å |
| 334 | T | 65 | Low | 66 | Low | 93 Ų | 93 | 89.4 Ų | 89.4 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.6 | -34.1 | 175.5 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | Q330 A331 A337 A338 | Q330-T334 PolarHBondContact O-N 2.93Å; Q330-T334 PolarHBondContact O-OG1 3.47Å; A331-T334 WeakPolarHBondContact CA-OG1 3.4Å; A331-T334 PolarHBondContact O-OG1 2.79Å; T334-A337 PolarHBondContact O-N 3.25Å; T334-A338 VanDerWaalsContact O-CB 3.24Å; T334-A338 WeakPolarHBondContact O-CB 3.44Å; T334-A338 PolarHBondContact O-N 2.86Å |
| 335 | L | 60.3 | Low | 65.1 | Low | 129 Ų | 129 | 88.9 Ų | 88.9 | 68% | 0.675 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.5 | -39.3 | 175 | -136.3 | 161.4 | 0 | 0 | 0 | 111.6 | A331 A338 A339 | A331-L335 WeakPolarHBondContact O-CB 3.31Å; A331-L335 PolarHBondContact O-N 3Å; L335-A338 PolarHBondContact O-N 2.99Å; L335-A339 WeakPolarHBondContact O-CB 3.43Å; L335-A339 PolarHBondContact O-N 2.95Å |
| 336 | A | 59.3 | Low | 64.1 | Low | 62 Ų | 62 | 87.5 Ų | 87.5 | 51% | 0.512 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K332 F333 A339 A340 | K332-A336 PolarHBondContact O-N 2.85Å; F333-A336 PolarHBondContact O-N 2.85Å; A336-A339 PolarHBondContact O-N 2.71Å; A336-A340 WeakPolarHBondContact O-CB 3.35Å; A336-A340 PolarHBondContact O-N 2.93Å |
| 337 | A | 61.5 | Low | 62.5 | Low | 62 Ų | 62 | 86.2 Ų | 86.2 | 51% | 0.512 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.6 | -38.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F333 T334 A340 A341 | F333-A337 VanDerWaalsContact O-CB 3.3Å; F333-A337 WeakPolarHBondContact O-CB 3.25Å; F333-A337 PolarHBondContact O-N 3.17Å; T334-A337 PolarHBondContact O-N 3.25Å; A337-A340 PolarHBondContact O-N 3.48Å; A337-A341 WeakPolarHBondContact O-CB 3.11Å; A337-A341 PolarHBondContact O-N 3Å |
| 338 | A | 60.2 | Low | 60.9 | Low | 61 Ų | 61 | 82 Ų | 82 | 50% | 0.504 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -38.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | T334 L335 A341 A342 | T334-A338 VanDerWaalsContact O-CB 3.24Å; T334-A338 WeakPolarHBondContact O-CB 3.44Å; T334-A338 PolarHBondContact O-N 2.86Å; L335-A338 PolarHBondContact O-N 2.99Å; A338-A341 PolarHBondContact O-N 2.79Å; A338-A342 WeakPolarHBondContact O-CB 3.48Å; A338-A342 PolarHBondContact O-N 2.97Å |
| 339 | A | 58.6 | Low | 59.1 | Low | 58 Ų | 58 | 81.5 Ų | 81.5 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.4 | -40.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L335 A336 A342 A343 | L335-A339 WeakPolarHBondContact O-CB 3.43Å; L335-A339 PolarHBondContact O-N 2.95Å; A336-A339 PolarHBondContact O-N 2.71Å; A339-A342 PolarHBondContact O-N 2.99Å; A339-A343 PolarHBondContact O-N 3.34Å; A339-A343 VanDerWaalsContact O-N 3.1Å |
| 340 | A | 57.9 | Low | 57.7 | Low | 62 Ų | 62 | 89 Ų | 89 | 51% | 0.512 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.1 | -37.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A336 A337 A343 A344 | A336-A340 WeakPolarHBondContact O-CB 3.35Å; A336-A340 PolarHBondContact O-N 2.93Å; A337-A340 PolarHBondContact O-N 3.48Å; A340-A343 PolarHBondContact O-N 3.31Å; A340-A344 PolarHBondContact O-N 3.33Å |
| 341 | A | 58.5 | Low | 56.5 | Low | 61 Ų | 61 | 92.4 Ų | 92.4 | 50% | 0.504 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.1 | -36.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | A337 A338 A344 A345 | A337-A341 WeakPolarHBondContact O-CB 3.11Å; A337-A341 PolarHBondContact O-N 3Å; A338-A341 PolarHBondContact O-N 2.79Å; A341-A344 PolarHBondContact O-N 2.98Å; A341-A345 WeakPolarHBondContact O-CB 3.28Å; A341-A345 PolarHBondContact O-N 2.9Å |
| 342 | A | 58.4 | Low | 55.5 | Low | 63 Ų | 63 | 94.3 Ų | 94.3 | 52% | 0.521 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.7 | -35 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A338 A339 S346 | A338-A342 WeakPolarHBondContact O-CB 3.48Å; A338-A342 PolarHBondContact O-N 2.97Å; A339-A342 PolarHBondContact O-N 2.99Å; A342-S346 PolarHBondContact O-N 3.27Å; A342-S346 PolarHBondContact O-OG 3.35Å; A342-S346 VanDerWaalsContact O-OG 3.05Å |
| 343 | A | 57.4 | Low | 54.7 | Low | 70 Ų | 70 | 94 Ų | 94 | 58% | 0.579 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.7 | -31.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A339 A340 S346 | A339-A343 PolarHBondContact O-N 3.34Å; A339-A343 VanDerWaalsContact O-N 3.1Å; A340-A343 PolarHBondContact O-N 3.31Å; A343-S346 PolarHBondContact O-OG 3.19Å |
| 344 | A | 56.8 | Low | 53.7 | Low | 82 Ų | 82 | 92.7 Ų | 92.7 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -79.3 | -26.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A340 A341 | A340-A344 PolarHBondContact O-N 3.33Å; A341-A344 PolarHBondContact O-N 2.98Å |
| 345 | A | 59.4 | Low | 52.8 | Low | 88 Ų | 88 | 92.9 Ų | 92.9 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -80.3 | -14.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A341 G347 | A341-A345 WeakPolarHBondContact O-CB 3.28Å; A341-A345 PolarHBondContact O-N 2.9Å; A345-G347 PolarHBondContact O-N 2.96Å; A345-G347 VanDerWaalsContact O-N 3.17Å |
| 346 | S | 56 | Low | 52 | Low | 90 Ų | 90 | 96.9 Ų | 96.9 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | trans | -87.6 | 51.1 | 170.8 | 42 | 0 | 0 | 0 | 0 | 111.3 | A342 A343 G348 | A342-S346 PolarHBondContact O-N 3.27Å; A342-S346 PolarHBondContact O-OG 3.35Å; A342-S346 VanDerWaalsContact O-OG 3.05Å; A343-S346 PolarHBondContact O-OG 3.19Å; S346-G348 PolarHBondContact O-N 2.92Å; S346-G348 VanDerWaalsContact O-N 3.16Å | ||
| 347 | G | 46.8 | Very low | 50.8 | Low | 78 Ų | 78 | 97.2 Ų | 97.2 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | trans | -65 | 107.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A345 | A345-G347 PolarHBondContact O-N 2.96Å; A345-G347 VanDerWaalsContact O-N 3.17Å | ||
| 348 | G | 40 | Very low | 49.8 | Very low | 61 Ų | 61 | 103.6 Ų | 103.6 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | trans | -159.3 | 97.8 | 170 | 0 | 0 | 0 | 0 | 0 | 108.8 | S346 | S346-G348 PolarHBondContact O-N 2.92Å; S346-G348 VanDerWaalsContact O-N 3.16Å | ||
| 349 | G | 37.5 | Very low | 49 | Very low | 72 Ų | 72 | 105.5 Ų | 105.5 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | trans | -71.2 | 150.7 | -159.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 350 | Y | 45.8 | Very low | 47.9 | Very low | 233 Ų | 233 | 110.8 Ų | 110.8 | 91% | 0.914 | 73% | 0.726 | S | S | * | * | trans | -132.4 | 137.2 | 155.9 | -69.5 | -78.5 | 0 | 0 | 0 | 109.9 | ||||
| 351 | H | 48.5 | Very low | 47.2 | Very low | 190 Ų | 190 | 112.8 Ų | 112.8 | 88% | 0.88 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 139.6 | -171.7 | -101.1 | -113.2 | 0 | 0 | 0 | 115.3 | ||
| 352 | A | 47.5 | Very low | 46.3 | Very low | 92 Ų | 92 | 116.3 Ų | 116.3 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -72 | 136.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 353 | P | 50 | Low | 45.7 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 120.2 | 156.3 | 31.4 | -23.8 | 0 | 0 | 0 | 109.8 | A355 | P353-A355 PolarHBondContact O-N 2.82Š|
| 354 | S | 42.4 | Very low | 45.1 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 118.5 | 162.3 | 54.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 355 | A | 46.5 | Very low | 44.3 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -139.9 | 120.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P353 | P353-A355 PolarHBondContact O-N 2.82Š| ||
| 356 | F | 42 | Very low | 43.5 | Very low | 213 Ų | 213 | 134 Ų | 134 | 93% | 0.934 | 78% | 0.776 | S | S | * | * | trans | -53 | 148.6 | 176 | -89.6 | -113.5 | 0 | 0 | 0 | 113.4 | ||||
| 357 | G | 35.9 | Very low | 42.9 | Very low | 68 Ų | 68 | 136.9 Ų | 136.9 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 153 | 85.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 358 | H | 39.8 | Very low | 42.8 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -56.2 | 142.7 | 158.8 | -72 | -89.1 | 0 | 0 | 0 | 109.4 | ||||
| 359 | P | 43 | Very low | 43.1 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | -150.9 | -178.9 | 99.5 | 32.4 | -11 | 0 | 0 | 0 | 113.6 | |||||
| 360 | F | 36.1 | Very low | 43.4 | Very low | 168 Ų | 168 | 151.6 Ų | 151.6 | 74% | 0.737 | 80% | 0.797 | S | S | * | * | trans | 96 | 57.6 | 176.5 | -61.2 | -76.5 | 0 | 0 | 0 | 117 | ||||
| 361 | S | 43.2 | Very low | 43.4 | Very low | 104 Ų | 104 | 150 Ų | 150 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | -72.8 | 147.8 | 116.6 | 42.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 362 | D | 39.6 | Very low | 43.1 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 88.1 | 82.9 | 178.6 | -55.5 | -28.9 | 0 | 0 | 0 | 117.4 | ||||
| 363 | I | 45.3 | Very low | 43.1 | Very low | 169 Ų | 169 | 153 Ų | 153 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -117 | 78.1 | 139.8 | -63.5 | 176.7 | 0 | 0 | 0 | 106.4 | L365 | I363-L365 PolarHBondContact O-N 3Š| ||
| 364 | E | 44.1 | Very low | 43 | Very low | 138 Ų | 138 | 152.5 Ų | 152.5 | 65% | 0.645 | 80% | 0.796 | S | S | * | * | trans | -76.5 | 110.7 | 167.2 | -145.6 | -149.2 | 177.4 | 0 | 0 | 108.4 | R366 | E364-R366 PolarHBondContact O-N 2.87Š| ||
| 365 | L | 40.4 | Very low | 44.1 | Very low | 162 Ų | 162 | 153 Ų | 153 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 32.8 | 46.6 | 130.4 | -100.7 | 166.5 | 0 | 0 | 0 | 120.3 | I363 | I363-L365 PolarHBondContact O-N 3Š|
| 366 | R | 42.6 | Very low | 44.6 | Very low | 205 Ų | 205 | 156.3 Ų | 156.3 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | trans | -150.2 | 92.9 | 165.4 | -64.9 | -170.5 | -171.9 | 174 | 6.3 | 112.6 | E364 | E364-R366 PolarHBondContact O-N 2.87Š| ||
| 367 | H | 44.2 | Very low | 45.3 | Very low | 151 Ų | 151 | 155.5 Ų | 155.5 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | 173.3 | 73 | 142.6 | -100.3 | 87 | 0 | 0 | 0 | 110.5 | ||||
| 368 | L | 43.7 | Very low | 46.9 | Very low | 181 Ų | 181 | 158.1 Ų | 158.1 | 95% | 0.948 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -146.7 | 52.3 | 150.1 | -131.2 | 102.1 | 0 | 0 | 0 | 109.2 | ||
| 369 | Q | 47.7 | Very low | 47.5 | Very low | 182 Ų | 182 | 159.4 Ų | 159.4 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -134 | 54.1 | 172.6 | -171.2 | 108.4 | 1.9 | 0 | 0 | 109.6 | ||||
| 370 | Q | 43.9 | Very low | 48.4 | Very low | 158 Ų | 158 | 168 Ų | 168 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | trans | -133.9 | 18.6 | 174.7 | -100.5 | 173.4 | -1.5 | 0 | 0 | 114.4 | S372 | Q370-S372 PolarHBondContact O-N 2.99Š| ||
| 371 | Q | 45.7 | Very low | 49 | Very low | 198 Ų | 198 | 168 Ų | 168 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -92 | 72.9 | 159.9 | -74.2 | -174.1 | -3.5 | 0 | 0 | 110.1 | ||
| 372 | S | 42 | Very low | 49.3 | Very low | 97 Ų | 97 | 171.3 Ų | 171.3 | 68% | 0.678 | 84% | 0.836 | S | S | * | * | trans | 174.1 | 102 | 152.6 | 45.4 | 0 | 0 | 0 | 0 | 108.9 | Q370 | Q370-S372 PolarHBondContact O-N 2.99Š| ||
| 373 | R | 46.1 | Very low | 49.8 | Very low | 249 Ų | 249 | 173.3 Ų | 173.3 | 94% | 0.94 | 84% | 0.842 | S | S | * | * | trans | 178.7 | 103.5 | 143.6 | -97.9 | 158.8 | -170.8 | -142 | 2.4 | 109 | ||||
| 374 | S | 49.5 | Very low | 50.1 | Low | 111 Ų | 111 | 173.6 Ų | 173.6 | 78% | 0.776 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 140 | 166.7 | -34.5 | 0 | 0 | 0 | 0 | 110 | L376 | S374-L376 PolarHBondContact O-N 3.2Š|
| 375 | P | 65.6 | Low | 50.5 | Low | 129 Ų | 129 | 175.8 Ų | 175.8 | 84% | 0.838 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 117.4 | 166.8 | 29.2 | -28.8 | 0 | 0 | 0 | 109.6 | ||
| 376 | L | 56.3 | Low | 51.1 | Low | 167 Ų | 167 | 176.7 Ų | 176.7 | 87% | 0.874 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 134.8 | 166.5 | -75.1 | 166.6 | 0 | 0 | 0 | 109.5 | S374 | S374-L376 PolarHBondContact O-N 3.2Š|
| 377 | K | 57.1 | Low | 51.7 | Low | 195 Ų | 195 | 174.7 Ų | 174.7 | 85% | 0.848 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 135 | 166 | -73.3 | 176 | 174 | -179 | 0 | 109.8 | ||
| 378 | P | 69.5 | Low | 52.3 | Low | 124 Ų | 124 | 176.5 Ų | 176.5 | 81% | 0.805 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 132.6 | 157.5 | 30.5 | -26.6 | 0 | 0 | 0 | 109.8 | ||
| 379 | Y | 51.8 | Low | 53 | Low | 223 Ų | 223 | 176.2 Ų | 176.2 | 88% | 0.875 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 131.4 | 163.5 | -86.5 | -100.2 | 0 | 0 | 0 | 109.2 | ||
| 380 | F | 61.3 | Low | 53.5 | Low | 281 Ų | 281 | 175.6 Ų | 175.6 | 100% | 1.232 | 87% | 0.866 | S | S | * | * | trans | -151.2 | 0 | 138.6 | -121 | -79.2 | 0 | 0 | 0 | 108.7 |
Retrieved 380 of 380 residues in 1114.9 ms
(Link to these results)