| 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 | 72.1 | Confident | 83.8 | Confident | 204 Ų | 204 | 123.9 Ų | 123.9 | 100% | 1.005 | 63% | 0.634 | S | S | * | * | 0 | -37.5 | 0 | -136.7 | 167.2 | 93.2 | 0 | 0 | 114.5 | I3 Q4 | M1-I3 PolarHBondContact O-N 3.43Å; M1-Q4 PolarHBondContact O-N 3.5Å | |||
| 2 | K | 81 | Confident | 83.6 | Confident | 191 Ų | 191 | 122.4 Ų | 122.4 | 83% | 0.83 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.9 | -36.3 | -177.6 | -66 | -179.6 | 178 | 178.8 | 0 | 115.1 | F6 | K2-F6 PolarHBondContact O-N 3.25Å |
| 3 | I | 87.8 | Confident | 83.2 | Confident | 135 Ų | 135 | 126.7 Ų | 126.7 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.1 | -37.5 | 179.5 | -68.4 | 162.9 | 0 | 0 | 0 | 112.2 | M1 L5 F6 L7 | M1-I3 PolarHBondContact O-N 3.43Å; I3-L5 VanDerWaalsContact C-N 3.35Å; I3-L5 PolarHBondContact O-N 2.78Å; I3-F6 PolarHBondContact O-N 3Å; I3-L7 HydrophobicContact CG2-CD1 4.4Å; I3-L7 PolarHBondContact O-N 2.74Å; I3-L7 VanDerWaalsContact O-N 3.11Å |
| 4 | Q | 83.6 | Confident | 82.7 | Confident | 133 Ų | 133 | 119.9 Ų | 119.9 | 62% | 0.621 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.5 | -39.3 | 179.3 | -158.9 | 87.1 | -31.9 | 0 | 0 | 111.8 | M1 F6 L8 | M1-Q4 PolarHBondContact O-N 3.5Å; Q4-F6 VanDerWaalsContact C-N 3.33Å; Q4-L8 PolarHBondContact O-N 3.32Å; Q4-L8 VanDerWaalsContact O-N 3.15Å |
| 5 | L | 84.1 | Confident | 82 | Confident | 121 Ų | 121 | 117.2 Ų | 117.2 | 63% | 0.634 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67 | -35.7 | 176.9 | -122.1 | 116.5 | 0 | 0 | 0 | 111.8 | I3 S9 | I3-L5 VanDerWaalsContact C-N 3.35Å; I3-L5 PolarHBondContact O-N 2.78Å; L5-S9 PolarHBondContact O-N 3.3Å; L5-S9 VanDerWaalsContact O-N 3.08Å |
| 6 | F | 88.2 | Confident | 81.2 | Confident | 144 Ų | 144 | 115.8 Ų | 115.8 | 63% | 0.632 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.6 | -43.7 | 177.6 | -160.8 | -98.4 | 0 | 0 | 0 | 111.7 | K2 I3 Q4 L8 S9 L10 | K2-F6 PolarHBondContact O-N 3.25Å; I3-F6 PolarHBondContact O-N 3Å; Q4-F6 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 2.8Å; F6-S9 PolarHBondContact O-N 2.82Å; F6-S9 PolarHBondContact O-OG 3.43Å; F6-L10 PolarHBondContact O-N 2.82Å |
| 7 | L | 87.3 | Confident | 80.3 | Confident | 103 Ų | 103 | 112.7 Ų | 112.7 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.5 | -40.2 | 176.3 | -70.8 | 174.1 | 0 | 0 | 0 | 112.8 | I3 L10 A11 | I3-L7 HydrophobicContact CG2-CD1 4.4Å; I3-L7 PolarHBondContact O-N 2.74Å; I3-L7 VanDerWaalsContact O-N 3.11Å; L7-L10 PolarHBondContact O-N 3Å; L7-A11 WeakPolarHBondContact O-CB 3.26Å; L7-A11 PolarHBondContact O-N 3.35Å |
| 8 | L | 86.3 | Confident | 79.2 | Confident | 106 Ų | 106 | 113.6 Ų | 113.6 | 56% | 0.555 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.6 | -41.2 | 173.9 | -85 | 161.4 | 0 | 0 | 0 | 111.9 | Q4 F6 L10 A11 I12 | Q4-L8 PolarHBondContact O-N 3.32Å; Q4-L8 VanDerWaalsContact O-N 3.15Å; F6-L8 PolarHBondContact O-N 2.8Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.85Å; L8-A11 PolarHBondContact O-N 3.05Å; L8-I12 WeakPolarHBondContact O-CD1 3.4Å; L8-I12 VanDerWaalsContact O-CG1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.18Å; L8-I12 PolarHBondContact O-N 2.88Å |
| 9 | S | 83.2 | Confident | 78.1 | Confident | 51 Ų | 51 | 114.4 Ų | 114.4 | 36% | 0.357 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.6 | -39.1 | 176.4 | 78 | 0 | 0 | 0 | 0 | 112.2 | L5 F6 I12 Y13 | L5-S9 PolarHBondContact O-N 3.3Å; L5-S9 VanDerWaalsContact O-N 3.08Å; F6-S9 PolarHBondContact O-N 2.82Å; F6-S9 PolarHBondContact O-OG 3.43Å; S9-I12 PolarHBondContact O-N 3.19Å; S9-Y13 PolarHBondContact O-N 2.7Å |
| 10 | L | 84.5 | Confident | 77.1 | Confident | 113 Ų | 113 | 112.4 Ų | 112.4 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68 | -39.7 | 177.8 | -156.6 | 99.1 | 0 | 0 | 0 | 111.4 | F6 L7 L8 Y13 G14 | F6-L10 PolarHBondContact O-N 2.82Å; L7-L10 PolarHBondContact O-N 3Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.85Å; L10-Y13 PolarHBondContact O-N 3.35Å; L10-G14 PolarHBondContact O-N 3.4Å |
| 11 | A | 83.6 | Confident | 76 | Confident | 62 Ų | 62 | 115.9 Ų | 115.9 | 51% | 0.512 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L7 L8 G14 C15 | L7-A11 WeakPolarHBondContact O-CB 3.26Å; L7-A11 PolarHBondContact O-N 3.35Å; L8-A11 PolarHBondContact O-N 3.05Å; A11-G14 PolarHBondContact O-N 2.92Å; A11-C15 VanDerWaalsContact O-CB 3.26Å; A11-C15 WeakPolarHBondContact O-CB 3.14Å; A11-C15 PolarHBondContact O-N 2.66Å |
| 12 | I | 81.3 | Confident | 75.1 | Confident | 106 Ų | 106 | 110.4 Ų | 110.4 | 54% | 0.544 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.7 | -46 | 176 | -63.9 | 163 | 0 | 0 | 0 | 110.4 | L8 S9 G14 C15 V16 | L8-I12 WeakPolarHBondContact O-CD1 3.4Å; L8-I12 VanDerWaalsContact O-CG1 3.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.18Å; L8-I12 PolarHBondContact O-N 2.88Å; S9-I12 PolarHBondContact O-N 3.19Å; I12-G14 VanDerWaalsContact C-N 3.34Å; I12-G14 PolarHBondContact O-N 3.02Å; I12-C15 PolarHBondContact O-N 3.16Å; I12-V16 HydrophobicContact CG2-CG2 4.39Å; I12-V16 VanDerWaalsContact O-CG2 3.27Å; I12-V16 WeakPolarHBondContact O-CG2 3.48Å; I12-V16 PolarHBondContact O-N 2.83Å |
| 13 | Y | 79.1 | Confident | 73.7 | Confident | 178 Ų | 178 | 105.1 Ų | 105.1 | 70% | 0.698 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.9 | -40.5 | 176.2 | -102.9 | -88.5 | 0 | 0 | 0 | 112.8 | S9 L10 S17 | S9-Y13 PolarHBondContact O-N 2.7Å; L10-Y13 PolarHBondContact O-N 3.35Å; Y13-S17 WeakPolarHBondContact O-CB 3.39Å; Y13-S17 PolarHBondContact O-N 3.43Å; Y13-S17 PolarHBondContact O-OG 3.32Å |
| 14 | G | 75.8 | Confident | 71.8 | Confident | 32 Ų | 32 | 105.4 Ų | 105.4 | 33% | 0.33 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.2 | -45.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L10 A11 I12 V16 S17 I18 | L10-G14 PolarHBondContact O-N 3.4Å; A11-G14 PolarHBondContact O-N 2.92Å; I12-G14 VanDerWaalsContact C-N 3.34Å; I12-G14 PolarHBondContact O-N 3.02Å; G14-V16 PolarHBondContact O-N 2.74Å; G14-S17 PolarHBondContact O-N 2.75Å; G14-I18 VanDerWaalsContact O-CG1 3.28Å; G14-I18 WeakPolarHBondContact O-CG1 3.43Å; G14-I18 PolarHBondContact O-N 3.33Å |
| 15 | C | 72.4 | Confident | 70.2 | Confident | 79 Ų | 79 | 107.6 Ų | 107.6 | 53% | 0.534 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.4 | -38.6 | 179.8 | -153.4 | 0 | 0 | 0 | 0 | 112.4 | A11 I12 S17 I18 N19 | A11-C15 VanDerWaalsContact O-CB 3.26Å; A11-C15 WeakPolarHBondContact O-CB 3.14Å; A11-C15 PolarHBondContact O-N 2.66Å; I12-C15 PolarHBondContact O-N 3.16Å; C15-S17 VanDerWaalsContact C-N 3.32Å; C15-I18 PolarHBondContact O-N 2.7Å; C15-N19 PolarHBondContact O-N 2.72Å |
| 16 | V | 69.4 | Low | 68.5 | Low | 94 Ų | 94 | 107.5 Ų | 107.5 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.9 | -37.6 | 173.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | I12 G14 A20 | I12-V16 HydrophobicContact CG2-CG2 4.39Å; I12-V16 VanDerWaalsContact O-CG2 3.27Å; I12-V16 WeakPolarHBondContact O-CG2 3.48Å; I12-V16 PolarHBondContact O-N 2.83Å; G14-V16 PolarHBondContact O-N 2.74Å; V16-A20 PolarHBondContact O-N 3.35Å |
| 17 | S | 65.5 | Low | 66.9 | Low | 64 Ų | 64 | 105.7 Ų | 105.7 | 45% | 0.448 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.8 | -29.5 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 113.6 | Y13 G14 C15 | Y13-S17 WeakPolarHBondContact O-CB 3.39Å; Y13-S17 PolarHBondContact O-N 3.43Å; Y13-S17 PolarHBondContact O-OG 3.32Å; G14-S17 PolarHBondContact O-N 2.75Å; C15-S17 VanDerWaalsContact C-N 3.32Å |
| 18 | I | 61.1 | Low | 64.9 | Low | 128 Ų | 128 | 106.5 Ų | 106.5 | 66% | 0.656 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72 | -43.2 | 176.6 | -63.1 | 159.8 | 0 | 0 | 0 | 110.3 | G14 C15 A20 K21 | G14-I18 VanDerWaalsContact O-CG1 3.28Å; G14-I18 WeakPolarHBondContact O-CG1 3.43Å; G14-I18 PolarHBondContact O-N 3.33Å; C15-I18 PolarHBondContact O-N 2.7Å; I18-A20 VanDerWaalsContact C-N 3.34Å; I18-A20 PolarHBondContact O-N 2.72Å; I18-K21 PolarHBondContact O-N 2.85Å |
| 19 | N | 58.1 | Low | 63.5 | Low | 130 Ų | 130 | 106.7 Ų | 106.7 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.9 | -29.5 | 179.8 | -96.7 | -10.4 | 0 | 0 | 0 | 113.4 | C15 K21 | C15-N19 PolarHBondContact O-N 2.72Å; N19-K21 VanDerWaalsContact C-N 3.33Å; N19-K21 PolarHBondContact O-N 3.37Å |
| 20 | A | 58.1 | Low | 62.2 | Low | 74 Ų | 74 | 113 Ų | 113 | 61% | 0.612 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.5 | -25.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V16 I18 A22 | V16-A20 PolarHBondContact O-N 3.35Å; I18-A20 VanDerWaalsContact C-N 3.34Å; I18-A20 PolarHBondContact O-N 2.72Å; A20-A22 VanDerWaalsContact C-N 3.33Å; A20-A22 PolarHBondContact O-N 2.77Å |
| 21 | K | 52.7 | Low | 61.1 | Low | 186 Ų | 186 | 117 Ų | 117 | 81% | 0.809 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -13.4 | -177.7 | -72.8 | -175.3 | -179.6 | -176.2 | 0 | 114.3 | I18 N19 | I18-K21 PolarHBondContact O-N 2.85Å; N19-K21 VanDerWaalsContact C-N 3.33Å; N19-K21 PolarHBondContact O-N 3.37Å |
| 22 | A | 53.9 | Low | 60.7 | Low | 88 Ų | 88 | 120.6 Ų | 120.6 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -14.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A20 | A20-A22 VanDerWaalsContact C-N 3.33Å; A20-A22 PolarHBondContact O-N 2.77Å |
| 23 | A | 51.9 | Low | 60.4 | Low | 81 Ų | 81 | 121.5 Ų | 121.5 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -94.2 | -9.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 24 | N | 48.3 | Very low | 60.8 | Low | 141 Ų | 141 | 115.9 Ų | 115.9 | 75% | 0.754 | 66% | 0.658 | S | S | * | * | trans | -126.8 | 76.2 | -175.4 | -79.7 | -18 | 0 | 0 | 0 | 112.1 | V26 | N24-V26 HydrophobicContact CB-CG2 4.34Å; N24-V26 PolarHBondContact O-N 3.4Å | ||
| 25 | Q | 50.1 | Low | 61.6 | Low | 179 Ų | 179 | 117.2 Ų | 117.2 | 84% | 0.836 | 66% | 0.662 | S | S | * | * | trans | -71.2 | 85.6 | 148.9 | -70.8 | -152.4 | -6.8 | 0 | 0 | 107.6 | V27 | Q25-V27 VanDerWaalsContact C-N 3.32Å; Q25-V27 PolarHBondContact O-N 2.76Å | ||
| 26 | V | 47.9 | Very low | 62.6 | Low | 119 Ų | 119 | 116.2 Ų | 116.2 | 72% | 0.721 | 65% | 0.647 | S | S | * | * | trans | -63 | 102 | 161.6 | 179 | 0 | 0 | 0 | 0 | 105.4 | N24 D28 | N24-V26 HydrophobicContact CB-CG2 4.34Å; N24-V26 PolarHBondContact O-N 3.4Å; V26-D28 PolarHBondContact O-N 3.35Å | ||
| 27 | V | 53.9 | Low | 63.8 | Low | 106 Ų | 106 | 113.8 Ų | 113.8 | 64% | 0.642 | 63% | 0.634 | S | S | * | * | trans | -56.7 | 110.4 | 168.5 | 175.3 | 0 | 0 | 0 | 0 | 106.1 | Q25 S29 | Q25-V27 VanDerWaalsContact C-N 3.32Å; Q25-V27 PolarHBondContact O-N 2.76Å; V27-S29 PolarHBondContact O-N 3.42Å; V27-S29 PolarHBondContact O-OG 3.1Å; V27-S29 VanDerWaalsContact O-OG 3.1Å | ||
| 28 | D | 46.2 | Very low | 65.3 | Low | 119 Ų | 119 | 110.8 Ų | 110.8 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | trans | -53.1 | 102.8 | 176.9 | -175.1 | 12.7 | 0 | 0 | 0 | 108.5 | V26 K30 | V26-D28 PolarHBondContact O-N 3.35Å; D28-K30 PolarHBondContact O-N 3.09Å | ||
| 29 | S | 57.3 | Low | 66.9 | Low | 111 Ų | 111 | 108.6 Ų | 108.6 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 11.7 | -170.2 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | V27 | V27-S29 PolarHBondContact O-N 3.42Å; V27-S29 PolarHBondContact O-OG 3.1Å; V27-S29 VanDerWaalsContact O-OG 3.1Å |
| 30 | K | 55.3 | Low | 68.8 | Low | 184 Ų | 184 | 102.7 Ų | 102.7 | 80% | 0.8 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -1.1 | -173.3 | -82 | -174.2 | 175.3 | -178.6 | 0 | 115.8 | D28 | D28-K30 PolarHBondContact O-N 3.09Š|
| 31 | R | 61.6 | Low | 70.6 | Confident | 196 Ų | 196 | 105.3 Ų | 105.3 | 74% | 0.74 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -132.3 | 135.2 | 168.8 | -64.9 | -176.3 | -177.4 | 173.4 | 1.5 | 110 | Q33 | R31-Q33 VanDerWaalsContact C-N 3.27Å; R31-Q33 PolarHBondContact O-N 3.42Å |
| 32 | P | 74.6 | Confident | 72.6 | Confident | 137 Ų | 137 | 96.6 Ų | 96.6 | 89% | 0.89 | 53% | 0.527 | S | S | * | . | trans | -64.2 | 94.1 | 169.3 | 26.7 | -31.1 | 0 | 0 | 0 | 107.8 | ||||
| 33 | Q | 76 | Confident | 74.5 | Confident | 126 Ų | 126 | 95.2 Ų | 95.2 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | trans | -70.4 | 133.5 | 174.1 | -65.7 | -67.2 | -3.7 | 0 | 0 | 107.8 | R31 C35 | R31-Q33 VanDerWaalsContact C-N 3.27Å; R31-Q33 PolarHBondContact O-N 3.42Å; Q33-C35 PolarHBondContact O-N 2.95Å | ||
| 34 | P | 87.4 | Confident | 76.3 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 38% | 0.383 | 48% | 0.482 | S | S | . | . | trans | -61.6 | 126.8 | 174.4 | 26.7 | -32.8 | 0 | 0 | 0 | 108.2 | Y36 P85 | P34-Y36 HydrophobicContact CB-CE2 4.4Å; P34-P85 WeakPolarHBondContact O-CD 3.35Å | ||
| 35 | C | 91 | Very high | 78.3 | Confident | 61 Ų | 61 | 89.4 Ų | 89.4 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | trans | -130.2 | 148.2 | 176.2 | 67.8 | 0 | 0 | 0 | 0 | 108.9 | Q33 C82 V83 | Q33-C35 PolarHBondContact O-N 2.95Å; C35-C82 HydrophobicContact CB-CB 4.2Å; C35-V83 CarbonylContact C-O 3.55Å; C35-V83 WeakPolarHBondContact CA-O 3.42Å | ||
| 36 | Y | 94.3 | Very high | 80.1 | Confident | 57 Ų | 57 | 87.4 Ų | 87.4 | 22% | 0.224 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 159.7 | -173.3 | -57.8 | -78.3 | 0 | 0 | 0 | 110.6 | P34 C82 V83 P85 L106 S108 G110 | P34-Y36 HydrophobicContact CB-CE2 4.4Å; Y36-C82 PolarHBondContact O-N 3.33Å; Y36-V83 PolarHBondContact N-O 3.39Å; Y36-V83 PolarHBondContact O-N 3.49Å; Y36-P85 HydrophobicContact CE2-CB 4.46Å; Y36-L106 HydrophobicContact CD2-CD2 4.17Å; Y36-L106 HydrophobicContact CG-CD2 4.41Å; Y36-S108 VanDerWaalsContact OH-C 3.3Å; Y36-S108 PolarHBondContact OH-O 2.85Å; Y36-G110 PolarHBondContact OH-N 3.22Å; Y36-G110 VanDerWaalsContact OH-N 3.15Å |
| 37 | S | 94.7 | Very high | 81.9 | Confident | 43 Ų | 43 | 84.9 Ų | 84.9 | 30% | 0.301 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135.2 | 171.7 | 49.9 | 0 | 0 | 0 | 0 | 111 | V80 Y130 | S37-V80 CarbonylContact C-O 3.59Å; S37-V80 VanDerWaalsContact CA-O 3.26Å; S37-V80 WeakPolarHBondContact CA-O 3.15Å; S37-Y130 PolarHBondContact O-OH 3.35Å |
| 38 | V | 96 | Very high | 83.4 | Confident | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.006 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.1 | 169.7 | -180 | 0 | 0 | 0 | 0 | 108.3 | V79 V80 V83 V90 L106 L132 | V38-V79 WeakPolarHBondContact O-CA 3.26Å; V38-V80 HydrophobicContact CB-CB 4.45Å; V38-V80 PolarHBondContact N-O 3.46Å; V38-V80 PolarHBondContact O-N 3.48Å; V38-V83 HydrophobicContact CG2-CB 4.3Å; V38-V83 HydrophobicContact CG2-CG2 4.04Å; V38-V90 HydrophobicContact CG1-CG2 4.41Å; V38-L106 HydrophobicContact CG2-CD1 4.08Å; V38-L106 HydrophobicContact CG2-CD2 4.18Å; V38-L132 HydrophobicContact CG1-CD1 4.14Å |
| 39 | E | 96.3 | Very high | 85.2 | Confident | 83 Ų | 83 | 80.5 Ų | 80.5 | 39% | 0.388 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 150 | -174 | -56.6 | -172.9 | 177.3 | 0 | 0 | 112 | F78 V79 Y130 P131 L132 | E39-F78 WeakPolarHBondContact CA-O 3.21Å; E39-V79 HydrophobicContact CG-CG1 4.06Å; E39-V79 HydrophobicContact CG-CG2 4.07Å; E39-Y130 PolarHBondContact N-OH 2.91Å; E39-P131 HydrophobicContact CB-CB 4.4Å; E39-L132 PolarHBondContact O-N 2.99Å; E39-L132 VanDerWaalsContact O-N 3.08Å |
| 40 | G | 96.5 | Very high | 86.6 | Confident | 5 Ų | 5 | 79.5 Ų | 79.5 | 5% | 0.052 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | -176.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K77 F78 L132 | G40-K77 CarbonylContact O-C 3.58Å; G40-K77 WeakPolarHBondContact O-CA 3.18Å; G40-F78 VanDerWaalsContact C-CD1 3.44Å; G40-F78 VanDerWaalsContact CA-CE1 3.41Å; G40-F78 VanDerWaalsContact CA-CZ 3.47Å; G40-F78 PolarHBondContact N-O 2.89Å; G40-F78 VanDerWaalsContact N-O 3.1Å; G40-F78 WeakPolarHBondContact O-CD1 3.31Å; G40-F78 PolarHBondContact O-N 3.26Å; G40-L132 CarbonylContact C-O 3.6Å; G40-L132 WeakPolarHBondContact CA-O 3.31Å |
| 41 | R | 95.8 | Very high | 88.1 | Confident | 129 Ų | 129 | 76.4 Ų | 76.4 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 137.4 | 177.7 | -170.4 | 179.8 | -172.7 | -173.7 | 0.3 | 109.8 | V43 G76 K77 L132 I133 F134 | R41-V43 HydrophobicContact CG-CG2 4.42Å; R41-G76 CarbonylContact C-O 3.56Å; R41-G76 VanDerWaalsContact CA-O 3.32Å; R41-G76 WeakPolarHBondContact CA-O 3.01Å; R41-K77 HydrophobicContact CG-CG 4.41Å; R41-L132 PolarHBondContact N-O 2.87Å; R41-I133 WeakPolarHBondContact O-CA 3.19Å; R41-F134 PolarHBondContact O-N 2.83Å |
| 42 | V | 95.8 | Very high | 89 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.024 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.6 | 170.4 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | W55 I72 G76 F78 V92 F99 F134 | V42-W55 HydrophobicContact CB-CH2 4.41Å; V42-W55 HydrophobicContact CB-CZ3 4.48Å; V42-W55 HydrophobicContact CG1-CZ3 4.39Å; V42-I72 HydrophobicContact CB-CD1 4.34Å; V42-I72 HydrophobicContact CG2-CD1 3.72Å; V42-I72 HydrophobicContact CG2-CG1 4.32Å; V42-G76 PolarHBondContact N-O 2.9Å; V42-F78 HydrophobicContact CG2-CD1 4.05Å; V42-F78 HydrophobicContact CG2-CE1 4.18Å; V42-V92 HydrophobicContact CG1-CG1 4.47Å; V42-V92 HydrophobicContact CG2-CG1 4.34Å; V42-V92 HydrophobicContact CG2-CG2 3.83Å; V42-F99 HydrophobicContact CG1-CE1 3.64Å; V42-F99 HydrophobicContact CG1-CZ 3.74Å; V42-F134 HydrophobicContact CG1-CB 4.46Å; V42-F134 HydrophobicContact CG2-CB 4.25Å |
| 43 | V | 93.1 | Very high | 89.5 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 35% | 0.352 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 116.6 | 178.7 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | R41 I133 F134 | R41-V43 HydrophobicContact CG-CG2 4.42Å; V43-I133 HydrophobicContact CG2-CG2 3.98Å; V43-F134 PolarHBondContact N-O 3.45Å |
| 44 | L | 90.7 | Very high | 90 | Very high | 22 Ų | 22 | 69.5 Ų | 69.5 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | trans | -94.5 | 150.5 | 175.7 | -71.8 | 163 | 0 | 0 | 0 | 110.6 | M48 W55 F59 F99 V136 | L44-M48 HydrophobicContact CD2-CB 4.34Å; L44-M48 HydrophobicContact CD2-CE 3.82Å; L44-M48 HydrophobicContact CD2-SD 4.12Å; L44-W55 HydrophobicContact CD1-CB 4.42Å; L44-W55 HydrophobicContact CD1-CD2 3.25Å; L44-W55 HydrophobicContact CD1-CE3 3.36Å; L44-W55 HydrophobicContact CD1-CG 3.75Å; L44-W55 HydrophobicContact CD1-CH2 3.82Å; L44-W55 HydrophobicContact CD1-CZ2 3.81Å; L44-W55 HydrophobicContact CD1-CZ3 3.63Å; L44-W55 HydrophobicContact CG-CE3 4.44Å; L44-W55 HydrophobicContact CG-CZ3 4.36Å; L44-F59 HydrophobicContact CD1-CZ 4.35Å; L44-F59 HydrophobicContact CD2-CE1 3.88Å; L44-F59 HydrophobicContact CD2-CZ 3.64Å; L44-F99 HydrophobicContact CD2-CZ 4.31Å; L44-V136 HydrophobicContact CD2-CG2 3.84Å | ||
| 45 | T | 89.9 | Confident | 90.1 | Very high | 79 Ų | 79 | 68 Ų | 68 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | trans | -68.4 | 145.8 | 168.2 | -46.2 | 0 | 0 | 0 | 0 | 110.3 | A47 M48 K49 | T45-A47 VanDerWaalsContact C-N 3.26Å; T45-A47 PolarHBondContact O-N 3.27Å; T45-M48 WeakPolarHBondContact O-CB 3.49Å; T45-M48 PolarHBondContact O-N 3.3Å; T45-K49 PolarHBondContact O-N 3.27Å | ||
| 46 | E | 87.1 | Confident | 90 | Very high | 137 Ų | 137 | 66.9 Ų | 66.9 | 64% | 0.64 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -53.7 | -40.1 | -178.9 | -66 | -57.8 | 154.6 | 0 | 0 | 113.4 | M48 K49 A50 | E46-M48 VanDerWaalsContact C-N 3.26Å; E46-M48 PolarHBondContact O-N 2.85Å; E46-K49 PolarHBondContact O-N 3.27Å; E46-A50 PolarHBondContact O-N 2.79Å |
| 47 | A | 86.6 | Confident | 89.9 | Confident | 65 Ų | 65 | 68.6 Ų | 68.6 | 54% | 0.537 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.4 | -37.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T45 T51 | T45-A47 VanDerWaalsContact C-N 3.26Å; T45-A47 PolarHBondContact O-N 3.27Å; A47-T51 PolarHBondContact O-N 3.24Å; A47-T51 PolarHBondContact O-OG1 3.37Å |
| 48 | M | 84.8 | Confident | 89.7 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 4% | 0.044 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75 | -41.3 | 176.9 | -69.8 | -175.4 | 70.6 | 0 | 0 | 111.6 | L44 T45 E46 A50 T51 L52 A97 V136 | L44-M48 HydrophobicContact CD2-CB 4.34Å; L44-M48 HydrophobicContact CD2-CE 3.82Å; L44-M48 HydrophobicContact CD2-SD 4.12Å; T45-M48 WeakPolarHBondContact O-CB 3.49Å; T45-M48 PolarHBondContact O-N 3.3Å; E46-M48 VanDerWaalsContact C-N 3.26Å; E46-M48 PolarHBondContact O-N 2.85Å; M48-A50 PolarHBondContact O-N 2.93Å; M48-T51 PolarHBondContact O-N 3.08Å; M48-T51 VanDerWaalsContact O-N 3.13Å; M48-L52 HydrophobicContact CB-CD1 4.22Å; M48-L52 HydrophobicContact CE-CD1 4.35Å; M48-L52 VanDerWaalsContact O-CD1 3.25Å; M48-L52 WeakPolarHBondContact O-CD1 3.21Å; M48-L52 PolarHBondContact O-N 3.43Å; M48-A97 HydrophobicContact CE-CB 3.55Å; M48-V136 HydrophobicContact SD-CB 4.43Å; M48-V136 HydrophobicContact SD-CG1 3.89Å; M48-V136 HydrophobicContact SD-CG2 3.9Å |
| 49 | K | 84.8 | Confident | 89.6 | Confident | 125 Ų | 125 | 70.1 Ų | 70.1 | 54% | 0.543 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -36.4 | 177.8 | -170.6 | -177.9 | 176.2 | -170.3 | 0 | 111.8 | T45 E46 | T45-K49 PolarHBondContact O-N 3.27Å; E46-K49 PolarHBondContact O-N 3.27Å |
| 50 | A | 86.3 | Confident | 89.6 | Confident | 90 Ų | 90 | 71.3 Ų | 71.3 | 74% | 0.744 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -71.1 | -33.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E46 M48 | E46-A50 PolarHBondContact O-N 2.79Å; M48-A50 PolarHBondContact O-N 2.93Å |
| 51 | T | 86 | Confident | 89.6 | Confident | 118 Ų | 118 | 71 Ų | 71 | 72% | 0.724 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -82.6 | -37.4 | -175.2 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | A47 M48 | A47-T51 PolarHBondContact O-N 3.24Å; A47-T51 PolarHBondContact O-OG1 3.37Å; M48-T51 PolarHBondContact O-N 3.08Å; M48-T51 VanDerWaalsContact O-N 3.13Å |
| 52 | L | 81.6 | Confident | 89.7 | Confident | 35 Ų | 35 | 66.7 Ų | 66.7 | 18% | 0.183 | 37% | 0.366 | C | S | . | . | trans | -99.6 | 103.6 | -175.2 | -69.5 | 105.4 | 0 | 0 | 0 | 111.9 | M48 W55 F59 | M48-L52 HydrophobicContact CB-CD1 4.22Å; M48-L52 HydrophobicContact CE-CD1 4.35Å; M48-L52 VanDerWaalsContact O-CD1 3.25Å; M48-L52 WeakPolarHBondContact O-CD1 3.21Å; M48-L52 PolarHBondContact O-N 3.43Å; L52-W55 HydrophobicContact CB-CB 3.7Å; L52-W55 HydrophobicContact CD2-CB 4.46Å; L52-F59 HydrophobicContact CD2-CE2 4.42Å | ||
| 53 | K | 84.7 | Confident | 89.7 | Confident | 188 Ų | 188 | 66.6 Ų | 66.6 | 82% | 0.817 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 137.5 | 162.7 | -169.1 | -174.6 | 174.9 | -164.4 | 0 | 109.3 | W55 | K53-W55 PolarHBondContact O-N 3.23Š|
| 54 | D | 87.1 | Confident | 89.8 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 49% | 0.492 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 38.5 | -179.7 | -60.2 | -47.2 | 0 | 0 | 0 | 114.4 | Q56 T57 | D54-Q56 PolarHBondContact O-N 2.95Å; D54-Q56 VanDerWaalsContact O-N 3.09Å; D54-Q56 PolarHBondContact OD1-NE2 3.16Å; D54-T57 PolarHBondContact O-N 2.9Å |
| 55 | W | 88.9 | Confident | 89.9 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 10% | 0.102 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -52.7 | -35.7 | -176.4 | 68 | -92.6 | 0 | 0 | 0 | 112.6 | V42 L44 L52 K53 T57 S58 F59 I72 | V42-W55 HydrophobicContact CB-CH2 4.41Å; V42-W55 HydrophobicContact CB-CZ3 4.48Å; V42-W55 HydrophobicContact CG1-CZ3 4.39Å; L44-W55 HydrophobicContact CD1-CB 4.42Å; L44-W55 HydrophobicContact CD1-CD2 3.25Å; L44-W55 HydrophobicContact CD1-CE3 3.36Å; L44-W55 HydrophobicContact CD1-CG 3.75Å; L44-W55 HydrophobicContact CD1-CH2 3.82Å; L44-W55 HydrophobicContact CD1-CZ2 3.81Å; L44-W55 HydrophobicContact CD1-CZ3 3.63Å; L44-W55 HydrophobicContact CG-CE3 4.44Å; L44-W55 HydrophobicContact CG-CZ3 4.36Å; L52-W55 HydrophobicContact CB-CB 3.7Å; L52-W55 HydrophobicContact CD2-CB 4.46Å; K53-W55 PolarHBondContact O-N 3.23Å; W55-T57 PolarHBondContact O-N 2.85Å; W55-S58 PolarHBondContact O-N 2.9Å; W55-F59 HydrophobicContact CB-CE2 4.03Å; W55-F59 AromaticContact CE3-CD2 3.91Å; W55-F59 HydrophobicContact CE3-CD2 3.91Å; W55-F59 HydrophobicContact CE3-CE1 4.5Å; W55-F59 AromaticContact CE3-CE2 3.84Å; W55-F59 HydrophobicContact CE3-CE2 3.84Å; W55-F59 HydrophobicContact CE3-CG 4.21Å; W55-F59 HydrophobicContact CE3-CZ 4.13Å; W55-F59 WeakPolarHBondContact O-CD2 3.15Å; W55-I72 HydrophobicContact CH2-CG2 3.76Å; W55-I72 HydrophobicContact CZ3-CD1 4.21Å; W55-I72 HydrophobicContact CZ3-CG2 3.85Å |
| 56 | Q | 90 | Very high | 90.1 | Very high | 37 Ų | 37 | 70.3 Ų | 70.3 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -54.2 | -31.2 | -176.9 | 67.8 | -76.2 | -5.2 | 0 | 0 | 114.2 | D54 I72 | D54-Q56 PolarHBondContact O-N 2.95Å; D54-Q56 VanDerWaalsContact O-N 3.09Å; D54-Q56 PolarHBondContact OD1-NE2 3.16Å; Q56-I72 HydrophobicContact CB-CB 4.39Å; Q56-I72 HydrophobicContact CB-CG2 4.33Å |
| 57 | T | 91 | Very high | 90.4 | Very high | 94 Ų | 94 | 69.5 Ų | 69.5 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -74.1 | -30.1 | -177.4 | -50.1 | 0 | 0 | 0 | 0 | 112.3 | D54 W55 F59 | D54-T57 PolarHBondContact O-N 2.9Å; W55-T57 PolarHBondContact O-N 2.85Å; T57-F59 VanDerWaalsContact C-N 3.3Å |
| 58 | S | 90.8 | Very high | 90.9 | Very high | 75 Ų | 75 | 68.9 Ų | 68.9 | 52% | 0.524 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -81.9 | -11.1 | -178 | -59.7 | 0 | 0 | 0 | 0 | 113 | W55 | W55-S58 PolarHBondContact O-N 2.9Å |
| 59 | F | 94.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 72 Ų | 72 | 0% | 0.004 | 38% | 0.376 | C | S | . | . | trans | -109 | 140 | -176.6 | -70.3 | -121.4 | 0 | 0 | 0 | 109.1 | L44 L52 W55 T57 I72 V92 A93 N94 A97 F99 | L44-F59 HydrophobicContact CD1-CZ 4.35Å; L44-F59 HydrophobicContact CD2-CE1 3.88Å; L44-F59 HydrophobicContact CD2-CZ 3.64Å; L52-F59 HydrophobicContact CD2-CE2 4.42Å; W55-F59 HydrophobicContact CB-CE2 4.03Å; W55-F59 AromaticContact CE3-CD2 3.91Å; W55-F59 HydrophobicContact CE3-CD2 3.91Å; W55-F59 HydrophobicContact CE3-CE1 4.5Å; W55-F59 AromaticContact CE3-CE2 3.84Å; W55-F59 HydrophobicContact CE3-CE2 3.84Å; W55-F59 HydrophobicContact CE3-CG 4.21Å; W55-F59 HydrophobicContact CE3-CZ 4.13Å; W55-F59 WeakPolarHBondContact O-CD2 3.15Å; T57-F59 VanDerWaalsContact C-N 3.3Å; F59-I72 HydrophobicContact CB-CD1 3.46Å; F59-I72 VanDerWaalsContact CB-CD1 3.46Å; F59-I72 HydrophobicContact CD1-CD1 4.5Å; F59-I72 HydrophobicContact CG-CD1 4.32Å; F59-V92 HydrophobicContact CD1-CG1 3.86Å; F59-A93 WeakPolarHBondContact CA-O 3.35Å; F59-N94 HydrophobicContact CD1-CB 3.8Å; F59-N94 HydrophobicContact CD2-CB 4.47Å; F59-N94 HydrophobicContact CE1-CB 4Å; F59-N94 WeakPolarHBondContact CE1-ND2 3.14Å; F59-N94 WeakPolarHBondContact CE2-ND2 3.35Å; F59-N94 HydrophobicContact CG-CB 4.09Å; F59-N94 WeakPolarHBondContact CZ-ND2 3.39Å; F59-A97 HydrophobicContact CE1-CB 4.42Å; F59-F99 AromaticContact CD1-CE2 3.92Å; F59-F99 HydrophobicContact CD1-CE2 3.92Å; F59-F99 HydrophobicContact CD1-CZ 4.21Å; F59-F99 AromaticContact CE1-CE2 3.57Å; F59-F99 HydrophobicContact CE1-CE2 3.57Å; F59-F99 AromaticContact CE1-CZ 3.64Å; F59-F99 HydrophobicContact CE1-CZ 3.64Å | ||
| 60 | R | 95.5 | Very high | 91.9 | Very high | 107 Ų | 107 | 66.2 Ų | 66.2 | 40% | 0.404 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 140.2 | 176.7 | -62.8 | -66 | -179.9 | 159.7 | -1.1 | 109.4 | L62 V92 A93 | R60-L62 HydrophobicContact CB-CD2 4.27Å; R60-V92 CarbonylContact O-C 3.53Å; R60-A93 HydrophobicContact CB-CB 4.49Å; R60-A93 PolarHBondContact N-O 3.24Å; R60-A93 PolarHBondContact O-N 2.86Å |
| 61 | I | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.4 | 166.6 | -55.5 | 103.1 | 0 | 0 | 0 | 107.1 | V69 G70 I72 F78 V80 V90 E91 | I61-V69 CarbonylContact O-C 3.57Å; I61-V69 WeakPolarHBondContact O-CA 3.32Å; I61-G70 VanDerWaalsContact CD1-C 3.5Å; I61-G70 WeakPolarHBondContact CD1-O 3.38Å; I61-G70 PolarHBondContact N-O 3.42Å; I61-G70 PolarHBondContact O-N 3.06Å; I61-I72 HydrophobicContact CD1-CD1 4.31Å; I61-I72 HydrophobicContact CD1-CG1 3.4Å; I61-I72 VanDerWaalsContact CD1-CG1 3.4Å; I61-I72 HydrophobicContact CG1-CG1 4.12Å; I61-F78 HydrophobicContact CB-CD2 4.33Å; I61-F78 HydrophobicContact CD1-CB 3.26Å; I61-F78 HydrophobicContact CD1-CD1 4.05Å; I61-F78 HydrophobicContact CD1-CD2 3.63Å; I61-F78 HydrophobicContact CD1-CG 3.37Å; I61-F78 HydrophobicContact CG1-CB 4.1Å; I61-F78 HydrophobicContact CG1-CD1 3.96Å; I61-F78 HydrophobicContact CG1-CD2 3.65Å; I61-F78 HydrophobicContact CG1-CE1 4.31Å; I61-F78 HydrophobicContact CG1-CE2 4.04Å; I61-F78 HydrophobicContact CG1-CG 3.62Å; I61-F78 HydrophobicContact CG1-CZ 4.36Å; I61-F78 HydrophobicContact CG2-CD2 4.18Å; I61-F78 HydrophobicContact CG2-CE2 3.91Å; I61-F78 HydrophobicContact CG2-CZ 4.41Å; I61-V80 HydrophobicContact CB-CG2 4.45Å; I61-V80 HydrophobicContact CG2-CG2 4.06Å; I61-V90 HydrophobicContact CG2-CG1 3.68Å; I61-E91 WeakPolarHBondContact CA-O 3.29Å |
| 62 | L | 97.1 | Very high | 92.8 | Very high | 38 Ų | 38 | 62.1 Ų | 62.1 | 20% | 0.199 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.5 | 173.3 | -51.7 | 179.8 | 0 | 0 | 0 | 108.1 | R60 V69 V90 E91 A93 | R60-L62 HydrophobicContact CB-CD2 4.27Å; L62-V69 HydrophobicContact CD2-CG1 4.46Å; L62-V69 HydrophobicContact CD2-CG2 4.15Å; L62-V90 WeakPolarHBondContact O-CA 3.38Å; L62-E91 HydrophobicContact CB-CG 3.76Å; L62-E91 HydrophobicContact CD1-CG 4.45Å; L62-E91 HydrophobicContact CG-CG 4.47Å; L62-E91 PolarHBondContact N-O 3.38Å; L62-E91 PolarHBondContact O-N 3.48Å; L62-A93 HydrophobicContact CD1-CB 3.58Å; L62-A93 HydrophobicContact CG-CB 3.84Å |
| 63 | V | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 122.9 | 168.9 | -176 | 0 | 0 | 0 | 0 | 107 | G66 K67 Y68 V80 Y88 V89 V90 | V63-G66 PolarHBondContact O-N 3.5Å; V63-K67 PolarHBondContact O-N 2.96Å; V63-K67 VanDerWaalsContact O-N 3.1Å; V63-Y68 HydrophobicContact CB-CD2 4.21Å; V63-Y68 HydrophobicContact CG1-CD2 4.04Å; V63-Y68 PolarHBondContact N-O 2.99Å; V63-Y68 PolarHBondContact O-N 2.85Å; V63-Y68 VanDerWaalsContact O-N 3.14Å; V63-V80 HydrophobicContact CG2-CB 4.28Å; V63-V80 HydrophobicContact CG2-CG1 3.96Å; V63-V80 HydrophobicContact CG2-CG2 3.9Å; V63-Y88 HydrophobicContact CG1-CD1 4.45Å; V63-Y88 HydrophobicContact CG1-CD2 4.48Å; V63-Y88 HydrophobicContact CG1-CG 3.93Å; V63-V89 CarbonylContact C-O 3.58Å; V63-V89 WeakPolarHBondContact CA-O 3.22Å; V63-V90 HydrophobicContact CG1-CG2 4.38Å; V63-V90 HydrophobicContact CG2-CG1 4.48Å; V63-V90 HydrophobicContact CG2-CG2 4.27Å |
| 64 | D | 94.3 | Very high | 93.7 | Very high | 55 Ų | 55 | 62.3 Ų | 62.3 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 58.4 | -179.2 | -158.9 | 27 | 0 | 0 | 0 | 111.6 | G66 K67 Y88 V89 | D64-G66 PolarHBondContact O-N 3.38Å; D64-G66 VanDerWaalsContact O-N 3.09Å; D64-K67 HydrophobicContact CB-CB 4.06Å; D64-K67 PolarHBondContact O-N 3.26Å; D64-Y88 HydrophobicContact CB-CD1 3.74Å; D64-V89 PolarHBondContact N-O 2.92Å |
| 65 | Y | 93.5 | Very high | 93.9 | Very high | 150 Ų | 150 | 63.3 Ų | 63.3 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 27.4 | 178.4 | -50.1 | -75.4 | 0 | 0 | 0 | 114.8 | ||
| 66 | G | 93.5 | Very high | 94.1 | Very high | 32 Ų | 32 | 62.1 Ų | 62.1 | 33% | 0.33 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.4 | 9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V63 D64 Y68 | V63-G66 PolarHBondContact O-N 3.5Å; D64-G66 PolarHBondContact O-N 3.38Å; D64-G66 VanDerWaalsContact O-N 3.09Å; G66-Y68 PolarHBondContact O-N 3.24Å |
| 67 | K | 94.8 | Very high | 94.3 | Very high | 121 Ų | 121 | 65.9 Ų | 65.9 | 53% | 0.526 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -40 | 168.5 | -175.3 | 175.6 | 179 | 169.2 | 0 | 112.1 | V63 D64 | V63-K67 PolarHBondContact O-N 2.96Å; V63-K67 VanDerWaalsContact O-N 3.1Å; D64-K67 HydrophobicContact CB-CB 4.06Å; D64-K67 PolarHBondContact O-N 3.26Å |
| 68 | Y | 95.9 | Very high | 94.6 | Very high | 52 Ų | 52 | 61.4 Ų | 61.4 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.8 | 165.2 | -46.3 | -95.7 | 0 | 0 | 0 | 109.3 | V63 G66 C82 V83 Y88 | V63-Y68 HydrophobicContact CB-CD2 4.21Å; V63-Y68 HydrophobicContact CG1-CD2 4.04Å; V63-Y68 PolarHBondContact N-O 2.99Å; V63-Y68 PolarHBondContact O-N 2.85Å; V63-Y68 VanDerWaalsContact O-N 3.14Å; G66-Y68 PolarHBondContact O-N 3.24Å; Y68-C82 WeakPolarHBondContact CE1-O 3.37Å; Y68-V83 HydrophobicContact CD2-CG1 4.33Å; Y68-V83 HydrophobicContact CE2-CG1 4.15Å; Y68-V83 HydrophobicContact CG-CG2 4.38Å; Y68-Y88 HydrophobicContact CE2-CE1 4.36Å |
| 69 | V | 96.2 | Very high | 94.9 | Very high | 75 Ų | 75 | 59 Ų | 59 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.6 | -178.7 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | I61 L62 | I61-V69 CarbonylContact O-C 3.57Å; I61-V69 WeakPolarHBondContact O-CA 3.32Å; L62-V69 HydrophobicContact CD2-CG1 4.46Å; L62-V69 HydrophobicContact CD2-CG2 4.15Å |
| 70 | G | 95.2 | Very high | 95 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 153 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I61 | I61-G70 VanDerWaalsContact CD1-C 3.5Å; I61-G70 WeakPolarHBondContact CD1-O 3.38Å; I61-G70 PolarHBondContact N-O 3.42Å; I61-G70 PolarHBondContact O-N 3.06Å |
| 71 | L | 95.4 | Very high | 94.9 | Very high | 112 Ų | 112 | 59.8 Ų | 59.8 | 59% | 0.586 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 146.3 | 171.3 | -71.9 | 82 | 0 | 0 | 0 | 109.9 | F78 | L71-F78 WeakPolarHBondContact O-CB 3.12Å |
| 72 | I | 95.6 | Very high | 94.7 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -91.1 | 137 | 177.5 | -60.7 | 170.6 | 0 | 0 | 0 | 109.1 | V42 W55 Q56 F59 I61 F78 V92 | V42-I72 HydrophobicContact CB-CD1 4.34Å; V42-I72 HydrophobicContact CG2-CD1 3.72Å; V42-I72 HydrophobicContact CG2-CG1 4.32Å; W55-I72 HydrophobicContact CH2-CG2 3.76Å; W55-I72 HydrophobicContact CZ3-CD1 4.21Å; W55-I72 HydrophobicContact CZ3-CG2 3.85Å; Q56-I72 HydrophobicContact CB-CB 4.39Å; Q56-I72 HydrophobicContact CB-CG2 4.33Å; F59-I72 HydrophobicContact CB-CD1 3.46Å; F59-I72 VanDerWaalsContact CB-CD1 3.46Å; F59-I72 HydrophobicContact CD1-CD1 4.5Å; F59-I72 HydrophobicContact CG-CD1 4.32Å; I61-I72 HydrophobicContact CD1-CD1 4.31Å; I61-I72 HydrophobicContact CD1-CG1 3.4Å; I61-I72 VanDerWaalsContact CD1-CG1 3.4Å; I61-I72 HydrophobicContact CG1-CG1 4.12Å; I72-F78 HydrophobicContact CG1-CB 4.27Å; I72-V92 HydrophobicContact CD1-CG1 4.42Å |
| 73 | R | 94.2 | Very high | 94.6 | Very high | 132 Ų | 132 | 61.9 Ų | 61.9 | 50% | 0.498 | 31% | 0.314 | S | S | . | . | trans | -81.1 | 159.9 | 173 | -63.2 | -177.9 | -175.8 | 178.5 | 2.8 | 110.4 | D75 G76 K77 | R73-D75 PolarHBondContact O-N 3.4Å; R73-D75 VanDerWaalsContact O-N 3.1Å; R73-G76 WeakPolarHBondContact O-CA 3.02Å; R73-G76 PolarHBondContact O-N 2.92Å; R73-K77 VanDerWaalsContact CB-O 3.27Å; R73-K77 WeakPolarHBondContact CB-O 3.22Å; R73-K77 WeakPolarHBondContact CG-O 3.42Å; R73-K77 PolarHBondContact N-O 3.44Å | ||
| 74 | P | 90.7 | Very high | 94.5 | Very high | 95 Ų | 95 | 63.3 Ų | 63.3 | 62% | 0.617 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.9 | 177.2 | 21.6 | -34.6 | 0 | 0 | 0 | 114 | G76 | P74-G76 PolarHBondContact O-N 2.83Š|
| 75 | D | 90.8 | Very high | 94.6 | Very high | 113 Ų | 113 | 63.1 Ų | 63.1 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -5.2 | 175.6 | -54.7 | -23.4 | 0 | 0 | 0 | 113.9 | R73 K77 | R73-D75 PolarHBondContact O-N 3.4Å; R73-D75 VanDerWaalsContact O-N 3.1Å; D75-K77 VanDerWaalsContact C-N 3.27Å; D75-K77 PolarHBondContact O-N 3.2Å |
| 76 | G | 92.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 79.6 | 1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R41 V42 R73 P74 | R41-G76 CarbonylContact C-O 3.56Å; R41-G76 VanDerWaalsContact CA-O 3.32Å; R41-G76 WeakPolarHBondContact CA-O 3.01Å; V42-G76 PolarHBondContact N-O 2.9Å; R73-G76 WeakPolarHBondContact O-CA 3.02Å; R73-G76 PolarHBondContact O-N 2.92Å; P74-G76 PolarHBondContact O-N 2.83Å |
| 77 | K | 96.1 | Very high | 94.7 | Very high | 116 Ų | 116 | 58.1 Ų | 58.1 | 50% | 0.504 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 150.6 | 173.1 | -67.8 | -177.8 | -179.5 | 177.7 | 0 | 110.8 | G40 R41 R73 D75 | G40-K77 CarbonylContact O-C 3.58Å; G40-K77 WeakPolarHBondContact O-CA 3.18Å; R41-K77 HydrophobicContact CG-CG 4.41Å; R73-K77 VanDerWaalsContact CB-O 3.27Å; R73-K77 WeakPolarHBondContact CB-O 3.22Å; R73-K77 WeakPolarHBondContact CG-O 3.42Å; R73-K77 PolarHBondContact N-O 3.44Å; D75-K77 VanDerWaalsContact C-N 3.27Å; D75-K77 PolarHBondContact O-N 3.2Å |
| 78 | F | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 156 | 173.5 | 71.1 | -94 | 0 | 0 | 0 | 111.8 | E39 G40 V42 I61 L71 I72 V80 L132 F134 | E39-F78 WeakPolarHBondContact CA-O 3.21Å; G40-F78 VanDerWaalsContact C-CD1 3.44Å; G40-F78 VanDerWaalsContact CA-CE1 3.41Å; G40-F78 VanDerWaalsContact CA-CZ 3.47Å; G40-F78 PolarHBondContact N-O 2.89Å; G40-F78 VanDerWaalsContact N-O 3.1Å; G40-F78 WeakPolarHBondContact O-CD1 3.31Å; G40-F78 PolarHBondContact O-N 3.26Å; V42-F78 HydrophobicContact CG2-CD1 4.05Å; V42-F78 HydrophobicContact CG2-CE1 4.18Å; I61-F78 HydrophobicContact CB-CD2 4.33Å; I61-F78 HydrophobicContact CD1-CB 3.26Å; I61-F78 HydrophobicContact CD1-CD1 4.05Å; I61-F78 HydrophobicContact CD1-CD2 3.63Å; I61-F78 HydrophobicContact CD1-CG 3.37Å; I61-F78 HydrophobicContact CG1-CB 4.1Å; I61-F78 HydrophobicContact CG1-CD1 3.96Å; I61-F78 HydrophobicContact CG1-CD2 3.65Å; I61-F78 HydrophobicContact CG1-CE1 4.31Å; I61-F78 HydrophobicContact CG1-CE2 4.04Å; I61-F78 HydrophobicContact CG1-CG 3.62Å; I61-F78 HydrophobicContact CG1-CZ 4.36Å; I61-F78 HydrophobicContact CG2-CD2 4.18Å; I61-F78 HydrophobicContact CG2-CE2 3.91Å; I61-F78 HydrophobicContact CG2-CZ 4.41Å; L71-F78 WeakPolarHBondContact O-CB 3.12Å; I72-F78 HydrophobicContact CG1-CB 4.27Å; F78-V80 HydrophobicContact CD2-CG2 4.31Å; F78-V80 HydrophobicContact CE2-CG2 4.5Å; F78-L132 HydrophobicContact CZ-CB 4.45Å; F78-L132 HydrophobicContact CZ-CD1 4.41Å; F78-F134 AromaticContact CE1-CD2 3.86Å; F78-F134 HydrophobicContact CE1-CD2 3.86Å; F78-F134 AromaticContact CE1-CE2 3.95Å; F78-F134 HydrophobicContact CE1-CE2 3.95Å; F78-F134 HydrophobicContact CZ-CD2 4.1Å; F78-F134 AromaticContact CZ-CE2 3.7Å; F78-F134 HydrophobicContact CZ-CE2 3.7Å |
| 79 | V | 96.2 | Very high | 94.8 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 126.2 | 175.4 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | V38 E39 H81 | V38-V79 WeakPolarHBondContact O-CA 3.26Å; E39-V79 HydrophobicContact CG-CG1 4.06Å; E39-V79 HydrophobicContact CG-CG2 4.07Å; V79-H81 WeakPolarHBondContact CG1-CE1 3.25Å |
| 80 | V | 96.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 113.9 | 169.2 | -172.1 | 0 | 0 | 0 | 0 | 107.2 | S37 V38 I61 V63 F78 V83 | S37-V80 CarbonylContact C-O 3.59Å; S37-V80 VanDerWaalsContact CA-O 3.26Å; S37-V80 WeakPolarHBondContact CA-O 3.15Å; V38-V80 HydrophobicContact CB-CB 4.45Å; V38-V80 PolarHBondContact N-O 3.46Å; V38-V80 PolarHBondContact O-N 3.48Å; I61-V80 HydrophobicContact CB-CG2 4.45Å; I61-V80 HydrophobicContact CG2-CG2 4.06Å; V63-V80 HydrophobicContact CG2-CB 4.28Å; V63-V80 HydrophobicContact CG2-CG1 3.96Å; V63-V80 HydrophobicContact CG2-CG2 3.9Å; F78-V80 HydrophobicContact CD2-CG2 4.31Å; F78-V80 HydrophobicContact CE2-CG2 4.5Å; V80-V83 HydrophobicContact CB-CG2 4.26Å; V80-V83 HydrophobicContact CG1-CG2 3.75Å |
| 81 | H | 94.5 | Very high | 94.9 | Very high | 120 Ų | 120 | 50.6 Ų | 50.6 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 158.5 | -178.6 | -62.2 | -73.1 | 0 | 0 | 0 | 111.7 | V79 V83 | V79-H81 WeakPolarHBondContact CG1-CE1 3.25Å; H81-V83 PolarHBondContact O-N 2.71Å |
| 82 | C | 93 | Very high | 94.9 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 55% | 0.554 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 57.4 | 41.6 | 170.4 | -59.3 | 0 | 0 | 0 | 0 | 115.4 | C35 Y36 Y68 | C35-C82 HydrophobicContact CB-CB 4.2Å; Y36-C82 PolarHBondContact O-N 3.33Å; Y68-C82 WeakPolarHBondContact CE1-O 3.37Å |
| 83 | V | 95 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.7 | 172.8 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | C35 Y36 V38 Y68 V80 H81 Y88 L106 | C35-V83 CarbonylContact C-O 3.55Å; C35-V83 WeakPolarHBondContact CA-O 3.42Å; Y36-V83 PolarHBondContact N-O 3.39Å; Y36-V83 PolarHBondContact O-N 3.49Å; V38-V83 HydrophobicContact CG2-CB 4.3Å; V38-V83 HydrophobicContact CG2-CG2 4.04Å; Y68-V83 HydrophobicContact CD2-CG1 4.33Å; Y68-V83 HydrophobicContact CE2-CG1 4.15Å; Y68-V83 HydrophobicContact CG-CG2 4.38Å; V80-V83 HydrophobicContact CB-CG2 4.26Å; V80-V83 HydrophobicContact CG1-CG2 3.75Å; H81-V83 PolarHBondContact O-N 2.71Å; V83-Y88 HydrophobicContact CG1-CD2 3.73Å; V83-Y88 HydrophobicContact CG1-CE2 3.55Å; V83-L106 HydrophobicContact CB-CD2 4.07Å; V83-L106 HydrophobicContact CG1-CD2 3.97Å |
| 84 | A | 94.7 | Very high | 94.8 | Very high | 31 Ų | 31 | 41.8 Ų | 41.8 | 26% | 0.256 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -64 | 159.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | G86 Y88 | A84-G86 PolarHBondContact O-N 3.19Å; A84-Y88 VanDerWaalsContact O-CE2 3.26Å; A84-Y88 WeakPolarHBondContact O-CE2 3.24Å; A84-Y88 PolarHBondContact O-OH 3.05Å |
| 85 | P | 95.1 | Very high | 94.8 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -63.8 | 130.9 | 171.6 | 26.6 | -35 | 0 | 0 | 0 | 110.4 | P34 Y36 | P34-P85 WeakPolarHBondContact O-CD 3.35Å; Y36-P85 HydrophobicContact CE2-CB 4.46Å |
| 86 | G | 94.8 | Very high | 94.8 | Very high | 26 Ų | 26 | 39 Ų | 39 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | -179.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A84 L106 | A84-G86 PolarHBondContact O-N 3.19Å; G86-L106 PolarHBondContact N-O 3.04Å; G86-L106 PolarHBondContact O-N 3.11Å |
| 87 | S | 94.8 | Very high | 94.7 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 36% | 0.357 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.9 | 175.5 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | R103 V104 D105 | S87-R103 PolarHBondContact OG-NE 2.9Å; S87-R103 PolarHBondContact OG-NH2 3.46Å; S87-V104 WeakPolarHBondContact CA-O 3.45Å; S87-D105 VanDerWaalsContact CB-OD1 3.28Å; S87-D105 WeakPolarHBondContact CB-OD1 3.31Å; S87-D105 PolarHBondContact OG-OD1 2.98Å |
| 88 | Y | 96.3 | Very high | 94.6 | Very high | 23 Ų | 23 | 37.3 Ų | 37.3 | 9% | 0.09 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 152.1 | -174.6 | -56.6 | -72.6 | 0 | 0 | 0 | 111.5 | V63 D64 Y68 V83 A84 R103 V104 L106 | V63-Y88 HydrophobicContact CG1-CD1 4.45Å; V63-Y88 HydrophobicContact CG1-CD2 4.48Å; V63-Y88 HydrophobicContact CG1-CG 3.93Å; D64-Y88 HydrophobicContact CB-CD1 3.74Å; Y68-Y88 HydrophobicContact CE2-CE1 4.36Å; V83-Y88 HydrophobicContact CG1-CD2 3.73Å; V83-Y88 HydrophobicContact CG1-CE2 3.55Å; A84-Y88 VanDerWaalsContact O-CE2 3.26Å; A84-Y88 WeakPolarHBondContact O-CE2 3.24Å; A84-Y88 PolarHBondContact O-OH 3.05Å; Y88-R103 CarbonylContact O-C 3.59Å; Y88-R103 WeakPolarHBondContact O-CA 3.07Å; Y88-V104 PolarHBondContact N-O 2.89Å; Y88-V104 PolarHBondContact O-N 3.44Å; Y88-L106 HydrophobicContact CD2-CD1 4.22Å |
| 89 | V | 96.6 | Very high | 94.6 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 11% | 0.109 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.6 | 167.3 | 173.5 | 0 | 0 | 0 | 0 | 108.2 | V63 D64 A101 F102 L117 | V63-V89 CarbonylContact C-O 3.58Å; V63-V89 WeakPolarHBondContact CA-O 3.22Å; D64-V89 PolarHBondContact N-O 2.92Å; V89-A101 HydrophobicContact CG1-CB 4.19Å; V89-F102 CarbonylContact C-O 3.59Å; V89-L117 HydrophobicContact CB-CD2 4.21Å; V89-L117 HydrophobicContact CG1-CD2 3.46Å; V89-L117 VanDerWaalsContact CG1-CD2 3.46Å; V89-L117 HydrophobicContact CG2-CD1 4.15Å; V89-L117 HydrophobicContact CG2-CD2 3.68Å |
| 90 | V | 97.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.4 | 174.9 | -173.2 | 0 | 0 | 0 | 0 | 108 | V38 I61 L62 V63 F102 V104 L132 F134 | V38-V90 HydrophobicContact CG1-CG2 4.41Å; I61-V90 HydrophobicContact CG2-CG1 3.68Å; L62-V90 WeakPolarHBondContact O-CA 3.38Å; V63-V90 HydrophobicContact CG1-CG2 4.38Å; V63-V90 HydrophobicContact CG2-CG1 4.48Å; V63-V90 HydrophobicContact CG2-CG2 4.27Å; V90-F102 PolarHBondContact N-O 3.15Å; V90-F102 PolarHBondContact O-N 3.34Å; V90-V104 HydrophobicContact CB-CG2 4.3Å; V90-V104 HydrophobicContact CG2-CB 4.21Å; V90-V104 HydrophobicContact CG2-CG2 3.54Å; V90-L132 HydrophobicContact CB-CD1 4.1Å; V90-L132 HydrophobicContact CG1-CD1 3.96Å; V90-L132 HydrophobicContact CG2-CD1 4.33Å; V90-F134 HydrophobicContact CB-CZ 4.27Å; V90-F134 HydrophobicContact CG1-CE2 4.24Å; V90-F134 HydrophobicContact CG1-CZ 3.83Å; V90-F134 WeakPolarHBondContact O-CZ 3.45Å |
| 91 | E | 95.7 | Very high | 94.4 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 23% | 0.234 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 153.6 | -179.3 | 64.1 | -174.3 | 175.4 | 0 | 0 | 110.9 | I61 L62 A101 | I61-E91 WeakPolarHBondContact CA-O 3.29Å; L62-E91 HydrophobicContact CB-CG 3.76Å; L62-E91 HydrophobicContact CD1-CG 4.45Å; L62-E91 HydrophobicContact CG-CG 4.47Å; L62-E91 PolarHBondContact N-O 3.38Å; L62-E91 PolarHBondContact O-N 3.48Å; E91-A101 HydrophobicContact CB-CB 4.21Å |
| 92 | V | 96.5 | Very high | 94.5 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 109.9 | 174.1 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | V42 F59 R60 I72 F99 F134 | V42-V92 HydrophobicContact CG1-CG1 4.47Å; V42-V92 HydrophobicContact CG2-CG1 4.34Å; V42-V92 HydrophobicContact CG2-CG2 3.83Å; F59-V92 HydrophobicContact CD1-CG1 3.86Å; R60-V92 CarbonylContact O-C 3.53Å; I72-V92 HydrophobicContact CD1-CG1 4.42Å; V92-F99 HydrophobicContact CB-CB 4.14Å; V92-F99 HydrophobicContact CB-CD2 3.73Å; V92-F99 HydrophobicContact CB-CE2 4.29Å; V92-F99 HydrophobicContact CB-CG 3.88Å; V92-F99 HydrophobicContact CG1-CD2 3.68Å; V92-F99 HydrophobicContact CG1-CE2 3.73Å; V92-F99 HydrophobicContact CG1-CG 4.22Å; V92-F99 HydrophobicContact CG1-CZ 4.31Å; V92-F134 HydrophobicContact CB-CD1 4.39Å; V92-F134 HydrophobicContact CG2-CB 3.98Å; V92-F134 HydrophobicContact CG2-CD1 3.58Å; V92-F134 HydrophobicContact CG2-CD2 3.78Å; V92-F134 HydrophobicContact CG2-CE1 3.9Å; V92-F134 HydrophobicContact CG2-CE2 4.12Å; V92-F134 HydrophobicContact CG2-CG 3.49Å; V92-F134 VanDerWaalsContact CG2-CG 3.49Å; V92-F134 HydrophobicContact CG2-CZ 4.16Å |
| 93 | A | 94.6 | Very high | 94.6 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F59 R60 L62 | F59-A93 WeakPolarHBondContact CA-O 3.35Å; R60-A93 HydrophobicContact CB-CB 4.49Å; R60-A93 PolarHBondContact N-O 3.24Å; R60-A93 PolarHBondContact O-N 2.86Å; L62-A93 HydrophobicContact CD1-CB 3.58Å; L62-A93 HydrophobicContact CG-CB 3.84Å |
| 94 | N | 93.7 | Very high | 94.7 | Very high | 25 Ų | 25 | 36.9 Ų | 36.9 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | trans | -151.7 | 146.7 | 170 | -179.9 | 0.4 | 0 | 0 | 0 | 108.4 | F59 N96 A97 | F59-N94 HydrophobicContact CD1-CB 3.8Å; F59-N94 HydrophobicContact CD2-CB 4.47Å; F59-N94 HydrophobicContact CE1-CB 4Å; F59-N94 WeakPolarHBondContact CE1-ND2 3.14Å; F59-N94 WeakPolarHBondContact CE2-ND2 3.35Å; F59-N94 HydrophobicContact CG-CB 4.09Å; F59-N94 WeakPolarHBondContact CZ-ND2 3.39Å; N94-N96 PolarHBondContact OD1-N 3.08Å; N94-A97 HydrophobicContact CB-CB 4.45Å | ||
| 95 | A | 90.6 | Very high | 94.7 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 46% | 0.463 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -66.1 | -39.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A140 Y142 | A95-A140 WeakPolarHBondContact O-CB 3.48Å; A95-Y142 WeakPolarHBondContact O-CE2 3.16Å; A95-Y142 PolarHBondContact O-OH 3.23Å |
| 96 | N | 89.7 | Confident | 94.8 | Very high | 94 Ų | 94 | 34.8 Ų | 34.8 | 50% | 0.503 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -93.8 | -16.2 | -168.4 | -65.9 | -11.5 | 0 | 0 | 0 | 114.2 | N94 Q139 A140 | N94-N96 PolarHBondContact OD1-N 3.08Å; N96-Q139 WeakPolarHBondContact O-CA 3.47Å; N96-A140 PolarHBondContact O-N 3.36Å |
| 97 | A | 91.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 137 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M48 F59 N94 F99 | M48-A97 HydrophobicContact CE-CB 3.55Å; F59-A97 HydrophobicContact CE1-CB 4.42Å; N94-A97 HydrophobicContact CB-CB 4.45Å; A97-F99 HydrophobicContact CB-CD2 4.48Å; A97-F99 HydrophobicContact CB-CE2 3.73Å; A97-F99 HydrophobicContact CB-CZ 4.25Å |
| 98 | I | 94 | Very high | 94.6 | Very high | 78 Ų | 78 | 37.6 Ų | 37.6 | 40% | 0.4 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.6 | 178.3 | -60 | 164 | 0 | 0 | 0 | 108.7 | K137 S138 A140 | I98-K137 PolarHBondContact O-N 2.84Å; I98-S138 PolarHBondContact N-O 3.07Å; I98-A140 HydrophobicContact CD1-CB 4.26Å; I98-A140 HydrophobicContact CG1-CB 4.17Å |
| 99 | F | 95.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 154.9 | 177.5 | -68.3 | -86.1 | 0 | 0 | 0 | 111.3 | V42 L44 F59 V92 A97 F134 V135 V136 | V42-F99 HydrophobicContact CG1-CE1 3.64Å; V42-F99 HydrophobicContact CG1-CZ 3.74Å; L44-F99 HydrophobicContact CD2-CZ 4.31Å; F59-F99 AromaticContact CD1-CE2 3.92Å; F59-F99 HydrophobicContact CD1-CE2 3.92Å; F59-F99 HydrophobicContact CD1-CZ 4.21Å; F59-F99 AromaticContact CE1-CE2 3.57Å; F59-F99 HydrophobicContact CE1-CE2 3.57Å; F59-F99 AromaticContact CE1-CZ 3.64Å; F59-F99 HydrophobicContact CE1-CZ 3.64Å; V92-F99 HydrophobicContact CB-CB 4.14Å; V92-F99 HydrophobicContact CB-CD2 3.73Å; V92-F99 HydrophobicContact CB-CE2 4.29Å; V92-F99 HydrophobicContact CB-CG 3.88Å; V92-F99 HydrophobicContact CG1-CD2 3.68Å; V92-F99 HydrophobicContact CG1-CE2 3.73Å; V92-F99 HydrophobicContact CG1-CG 4.22Å; V92-F99 HydrophobicContact CG1-CZ 4.31Å; A97-F99 HydrophobicContact CB-CD2 4.48Å; A97-F99 HydrophobicContact CB-CE2 3.73Å; A97-F99 HydrophobicContact CB-CZ 4.25Å; F99-F134 HydrophobicContact CB-CD1 4.25Å; F99-F134 HydrophobicContact CD1-CB 3.94Å; F99-F134 HydrophobicContact CE1-CB 4.46Å; F99-V135 WeakPolarHBondContact CD1-O 3.4Å; F99-V136 HydrophobicContact CD1-CG2 4.46Å; F99-V136 HydrophobicContact CE1-CB 4.25Å; F99-V136 HydrophobicContact CE1-CG2 3.51Å; F99-V136 HydrophobicContact CZ-CG2 3.6Å |
| 100 | E | 93.6 | Very high | 94.1 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | trans | -76.1 | 130.5 | 167.4 | -173.2 | 174.6 | -178.8 | 0 | 0 | 109.5 | R116 F134 | E100-R116 WeakPolarHBondContact OE1-CD 3.44Å; E100-R116 WeakPolarHBondContact OE1-CG 2.98Å; E100-R116 IonicContact OE1-NE 2.65Å; E100-R116 IonicContact OE1-NH1 3.94Å; E100-R116 IonicContact OE2-CZ 3.91Å; E100-R116 IonicContact OE2-NH1 3.65Å; E100-F134 WeakPolarHBondContact O-CD1 3.3Å; E100-F134 WeakPolarHBondContact O-CE1 3.49Å | ||
| 101 | A | 95.6 | Very high | 94 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | trans | -81.5 | 147.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V89 E91 L117 | V89-A101 HydrophobicContact CG1-CB 4.19Å; E91-A101 HydrophobicContact CB-CB 4.21Å; A101-L117 HydrophobicContact CB-CB 4.2Å; A101-L117 HydrophobicContact CB-CD2 3.83Å; A101-L117 VanDerWaalsContact O-CB 3.26Å; A101-L117 WeakPolarHBondContact O-CB 3.33Å; A101-L117 PolarHBondContact O-N 3.47Å; A101-L117 VanDerWaalsContact O-N 3.08Å | ||
| 102 | F | 96.5 | Very high | 94 | Very high | 14 Ų | 14 | 51 Ų | 51 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145.1 | 175.4 | -69 | -82.1 | 0 | 0 | 0 | 110.5 | V89 V90 R115 R116 A128 L132 I133 F134 | V89-F102 CarbonylContact C-O 3.59Å; V90-F102 PolarHBondContact N-O 3.15Å; V90-F102 PolarHBondContact O-N 3.34Å; F102-R115 CarbonylContact C-O 3.6Å; F102-R115 WeakPolarHBondContact CA-O 2.88Å; F102-R116 HydrophobicContact CD1-CG 4.11Å; F102-R116 HydrophobicContact CE1-CG 3.67Å; F102-A128 HydrophobicContact CD1-CB 3.64Å; F102-A128 HydrophobicContact CE1-CB 3.58Å; F102-L132 HydrophobicContact CB-CD2 3.93Å; F102-L132 HydrophobicContact CD2-CD2 4.4Å; F102-L132 HydrophobicContact CG-CD2 4.05Å; F102-I133 WeakPolarHBondContact CE2-O 3.06Å; F102-F134 AromaticContact CD2-CD1 3.92Å; F102-F134 HydrophobicContact CD2-CD1 3.92Å; F102-F134 AromaticContact CD2-CE1 3.49Å; F102-F134 HydrophobicContact CD2-CE1 3.49Å; F102-F134 VanDerWaalsContact CD2-CE1 3.49Å; F102-F134 HydrophobicContact CD2-CE2 4.15Å; F102-F134 HydrophobicContact CD2-CG 4.46Å; F102-F134 AromaticContact CD2-CZ 3.62Å; F102-F134 HydrophobicContact CD2-CZ 3.62Å; F102-F134 AromaticContact CE2-CD1 3.94Å; F102-F134 HydrophobicContact CE2-CD1 3.94Å; F102-F134 HydrophobicContact CE2-CE1 4Å; F102-F134 HydrophobicContact CE2-CG 4.29Å; F102-F134 HydrophobicContact CE2-CZ 4.36Å |
| 103 | R | 95.8 | Very high | 94 | Very high | 104 Ų | 104 | 56.4 Ų | 56.4 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.3 | 167.5 | -174 | 173.6 | 176.1 | 159.8 | 4.4 | 108.9 | S87 Y88 D105 A114 R115 L117 | S87-R103 PolarHBondContact OG-NE 2.9Å; S87-R103 PolarHBondContact OG-NH2 3.46Å; Y88-R103 CarbonylContact O-C 3.59Å; Y88-R103 WeakPolarHBondContact O-CA 3.07Å; R103-D105 IonicContact NE-OD1 3.52Å; R103-A114 CarbonylContact O-C 3.56Å; R103-A114 WeakPolarHBondContact O-CA 3.33Å; R103-R115 PolarHBondContact N-O 3.27Å; R103-R115 PolarHBondContact O-N 3.49Å; R103-L117 HydrophobicContact CB-CD1 4.27Å |
| 104 | V | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.8 | 178.7 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | S87 Y88 V90 L106 I112 R113 L132 | S87-V104 WeakPolarHBondContact CA-O 3.45Å; Y88-V104 PolarHBondContact N-O 2.89Å; Y88-V104 PolarHBondContact O-N 3.44Å; V90-V104 HydrophobicContact CB-CG2 4.3Å; V90-V104 HydrophobicContact CG2-CB 4.21Å; V90-V104 HydrophobicContact CG2-CG2 3.54Å; V104-L106 HydrophobicContact CB-CD1 4.23Å; V104-L106 HydrophobicContact CG1-CD1 3.58Å; V104-I112 HydrophobicContact CG1-CG2 3.48Å; V104-I112 VanDerWaalsContact CG1-CG2 3.48Å; V104-R113 CarbonylContact C-O 3.37Å; V104-R113 WeakPolarHBondContact CA-O 3.21Å; V104-L132 HydrophobicContact CG2-CD1 3.79Å; V104-L132 HydrophobicContact CG2-CD2 4.11Å; V104-L132 HydrophobicContact CG2-CG 4.42Å |
| 105 | D | 95.7 | Very high | 94.1 | Very high | 28 Ų | 28 | 57.2 Ų | 57.2 | 15% | 0.15 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.1 | 174.9 | -61.7 | -24.4 | 0 | 0 | 0 | 109.6 | S87 R103 I112 R113 R115 | S87-D105 VanDerWaalsContact CB-OD1 3.28Å; S87-D105 WeakPolarHBondContact CB-OD1 3.31Å; S87-D105 PolarHBondContact OG-OD1 2.98Å; R103-D105 IonicContact NE-OD1 3.52Å; D105-I112 WeakPolarHBondContact O-CA 3.46Å; D105-R113 HydrophobicContact CB-CB 4.39Å; D105-R113 PolarHBondContact N-O 3.19Å; D105-R113 PolarHBondContact O-N 3.32Å; D105-R115 IonicContact OD2-CZ 3.22Å; D105-R115 IonicContact OD2-NH1 3.72Å; D105-R115 PolarHBondContact OD2-NH1 3.38Å; D105-R115 IonicContact OD2-NH2 3.55Å |
| 106 | L | 95.9 | Very high | 94.3 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.5 | 176 | -75.5 | 79.5 | 0 | 0 | 0 | 109.1 | Y36 V38 V83 G86 Y88 V104 I112 | Y36-L106 HydrophobicContact CD2-CD2 4.17Å; Y36-L106 HydrophobicContact CG-CD2 4.41Å; V38-L106 HydrophobicContact CG2-CD1 4.08Å; V38-L106 HydrophobicContact CG2-CD2 4.18Å; V83-L106 HydrophobicContact CB-CD2 4.07Å; V83-L106 HydrophobicContact CG1-CD2 3.97Å; G86-L106 PolarHBondContact N-O 3.04Å; G86-L106 PolarHBondContact O-N 3.11Å; Y88-L106 HydrophobicContact CD2-CD1 4.22Å; V104-L106 HydrophobicContact CB-CD1 4.23Å; V104-L106 HydrophobicContact CG1-CD1 3.58Å; L106-I112 HydrophobicContact CG-CG1 4.49Å |
| 107 | T | 94.4 | Very high | 94.5 | Very high | 52 Ų | 52 | 57.6 Ų | 57.6 | 32% | 0.319 | 28% | 0.275 | S | S | . | . | trans | -81 | 151.5 | 172.4 | -47 | 0 | 0 | 0 | 0 | 109.7 | K109 G110 K111 | T107-K109 HydrophobicContact CG2-CB 4.1Å; T107-K109 HydrophobicContact CG2-CG 4.16Å; T107-K109 PolarHBondContact O-N 3.24Å; T107-G110 PolarHBondContact O-N 3.49Å; T107-K111 PolarHBondContact N-O 2.71Å; T107-K111 PolarHBondContact OG1-O 3.15Å | ||
| 108 | S | 92.2 | Very high | 94.6 | Very high | 84 Ų | 84 | 60.2 Ų | 60.2 | 59% | 0.587 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -9.8 | 169 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | Y36 | Y36-S108 VanDerWaalsContact OH-C 3.3Å; Y36-S108 PolarHBondContact OH-O 2.85Å |
| 109 | K | 92 | Very high | 94.4 | Very high | 186 Ų | 186 | 63.6 Ų | 63.6 | 81% | 0.809 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -5 | 172.5 | -60.7 | -173.9 | 178.4 | -174.8 | 0 | 113.3 | T107 K111 | T107-K109 HydrophobicContact CG2-CB 4.1Å; T107-K109 HydrophobicContact CG2-CG 4.16Å; T107-K109 PolarHBondContact O-N 3.24Å; K109-K111 VanDerWaalsContact C-N 3.35Å |
| 110 | G | 90 | Very high | 94.2 | Very high | 28 Ų | 28 | 69.1 Ų | 69.1 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 82.1 | 5.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y36 T107 I112 | Y36-G110 PolarHBondContact OH-N 3.22Å; Y36-G110 VanDerWaalsContact OH-N 3.15Å; T107-G110 PolarHBondContact O-N 3.49Å; G110-I112 PolarHBondContact O-N 2.96Å |
| 111 | K | 94.9 | Very high | 94 | Very high | 120 Ų | 120 | 70.8 Ų | 70.8 | 52% | 0.522 | 34% | 0.34 | S | S | . | . | trans | -73.1 | 120.8 | 171.1 | -173.3 | 172.3 | -176 | 172.3 | 0 | 109.5 | T107 K109 | T107-K111 PolarHBondContact N-O 2.71Å; T107-K111 PolarHBondContact OG1-O 3.15Å; K109-K111 VanDerWaalsContact C-N 3.35Å | ||
| 112 | I | 95.9 | Very high | 93.6 | Very high | 39 Ų | 39 | 74.9 Ų | 74.9 | 20% | 0.2 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.9 | 176.1 | -56.1 | 177.5 | 0 | 0 | 0 | 108.9 | V104 D105 L106 G110 Y130 | V104-I112 HydrophobicContact CG1-CG2 3.48Å; V104-I112 VanDerWaalsContact CG1-CG2 3.48Å; D105-I112 WeakPolarHBondContact O-CA 3.46Å; L106-I112 HydrophobicContact CG-CG1 4.49Å; G110-I112 PolarHBondContact O-N 2.96Å; I112-Y130 HydrophobicContact CD1-CE1 4.17Å; I112-Y130 HydrophobicContact CD1-CE2 4.25Å; I112-Y130 HydrophobicContact CG2-CD2 3.78Å; I112-Y130 HydrophobicContact CG2-CE2 3.74Å; I112-Y130 HydrophobicContact CG2-CG 4.32Å |
| 113 | R | 95.6 | Very high | 93.3 | Very high | 124 Ų | 124 | 78.6 Ų | 78.6 | 47% | 0.468 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130 | 171.3 | -56.1 | -178.3 | -171.4 | -169.9 | 0.7 | 109 | V104 D105 | V104-R113 CarbonylContact C-O 3.37Å; V104-R113 WeakPolarHBondContact CA-O 3.21Å; D105-R113 HydrophobicContact CB-CB 4.39Å; D105-R113 PolarHBondContact N-O 3.19Å; D105-R113 PolarHBondContact O-N 3.32Å |
| 114 | A | 96.5 | Very high | 93.1 | Very high | 7 Ų | 7 | 78.7 Ų | 78.7 | 6% | 0.058 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 142.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R103 A128 L132 | R103-A114 CarbonylContact O-C 3.56Å; R103-A114 WeakPolarHBondContact O-CA 3.33Å; A114-A128 HydrophobicContact CB-CB 4.03Å; A114-A128 PolarHBondContact O-N 2.79Å; A114-L132 HydrophobicContact CB-CD2 3.52Å |
| 115 | R | 94.9 | Very high | 92.8 | Very high | 69 Ų | 69 | 83.1 Ų | 83.1 | 26% | 0.26 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 151.3 | 176 | -62.9 | 170.9 | -179.3 | 142.9 | 7.5 | 108.8 | F102 R103 D105 V125 V126 | F102-R115 CarbonylContact C-O 3.6Å; F102-R115 WeakPolarHBondContact CA-O 2.88Å; R103-R115 PolarHBondContact N-O 3.27Å; R103-R115 PolarHBondContact O-N 3.49Å; D105-R115 IonicContact OD2-CZ 3.22Å; D105-R115 IonicContact OD2-NH1 3.72Å; D105-R115 PolarHBondContact OD2-NH1 3.38Å; D105-R115 IonicContact OD2-NH2 3.55Å; R115-V125 HydrophobicContact CG-CG1 4.15Å; R115-V126 CarbonylContact C-O 3.6Å; R115-V126 WeakPolarHBondContact CA-O 3.46Å |
| 116 | R | 94.7 | Very high | 92.7 | Very high | 125 Ų | 125 | 84.8 Ų | 84.8 | 47% | 0.472 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 139.2 | 169 | -69.2 | 177.4 | 178.6 | -149.8 | 7.3 | 109.6 | E100 F102 V126 | E100-R116 WeakPolarHBondContact OE1-CD 3.44Å; E100-R116 WeakPolarHBondContact OE1-CG 2.98Å; E100-R116 IonicContact OE1-NE 2.65Å; E100-R116 IonicContact OE1-NH1 3.94Å; E100-R116 IonicContact OE2-CZ 3.91Å; E100-R116 IonicContact OE2-NH1 3.65Å; F102-R116 HydrophobicContact CD1-CG 4.11Å; F102-R116 HydrophobicContact CE1-CG 3.67Å; R116-V126 HydrophobicContact CB-CB 4.28Å; R116-V126 HydrophobicContact CG-CG1 4.39Å; R116-V126 PolarHBondContact N-O 2.96Å |
| 117 | L | 93.9 | Very high | 92.6 | Very high | 34 Ų | 34 | 88.2 Ų | 88.2 | 18% | 0.178 | 47% | 0.468 | C | S | . | . | trans | -83.6 | 118.5 | 179.4 | -174.7 | 61.7 | 0 | 0 | 0 | 110.1 | V89 A101 R103 Y119 | V89-L117 HydrophobicContact CB-CD2 4.21Å; V89-L117 HydrophobicContact CG1-CD2 3.46Å; V89-L117 VanDerWaalsContact CG1-CD2 3.46Å; V89-L117 HydrophobicContact CG2-CD1 4.15Å; V89-L117 HydrophobicContact CG2-CD2 3.68Å; A101-L117 HydrophobicContact CB-CB 4.2Å; A101-L117 HydrophobicContact CB-CD2 3.83Å; A101-L117 VanDerWaalsContact O-CB 3.26Å; A101-L117 WeakPolarHBondContact O-CB 3.33Å; A101-L117 PolarHBondContact O-N 3.47Å; A101-L117 VanDerWaalsContact O-N 3.08Å; R103-L117 HydrophobicContact CB-CD1 4.27Å; L117-Y119 HydrophobicContact CD2-CE1 3.71Å; L117-Y119 HydrophobicContact CD2-CE2 3.93Å; L117-Y119 WeakPolarHBondContact CD2-OH 3.41Å; L117-Y119 HydrophobicContact CG-CE1 4.14Å; L117-Y119 HydrophobicContact CG-CE2 4.24Å | ||
| 118 | N | 92.2 | Very high | 92.6 | Very high | 58 Ų | 58 | 86.8 Ų | 86.8 | 31% | 0.31 | 46% | 0.461 | S | S | . | . | trans | -115 | 115.2 | 171.9 | -171.3 | -15.6 | 0 | 0 | 0 | 109.5 | V120 Q121 | N118-V120 PolarHBondContact OD1-N 3.2Å; N118-Q121 PolarHBondContact OD1-N 2.97Å; N118-Q121 VanDerWaalsContact OD1-N 3.15Å | ||
| 119 | Y | 90 | Very high | 92.7 | Very high | 149 Ų | 149 | 86.8 Ų | 86.8 | 58% | 0.584 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -79.7 | -27.1 | 178.5 | -65.7 | -71.3 | 0 | 0 | 0 | 113.4 | L117 | L117-Y119 HydrophobicContact CD2-CE1 3.71Å; L117-Y119 HydrophobicContact CD2-CE2 3.93Å; L117-Y119 WeakPolarHBondContact CD2-OH 3.41Å; L117-Y119 HydrophobicContact CG-CE1 4.14Å; L117-Y119 HydrophobicContact CG-CE2 4.24Å |
| 120 | V | 91.2 | Very high | 92.8 | Very high | 138 Ų | 138 | 81.9 Ų | 81.9 | 84% | 0.836 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -81.6 | -43.6 | -174.7 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | N118 | N118-V120 PolarHBondContact OD1-N 3.2Š|
| 121 | Q | 91.1 | Very high | 93.1 | Very high | 102 Ų | 102 | 84 Ų | 84 | 48% | 0.477 | 45% | 0.446 | S | S | . | . | trans | -132.8 | 89.7 | -178.3 | -166.8 | 173.2 | 42.4 | 0 | 0 | 111.1 | N118 S123 M124 | N118-Q121 PolarHBondContact OD1-N 2.97Å; N118-Q121 VanDerWaalsContact OD1-N 3.15Å; Q121-S123 VanDerWaalsContact CG-OG 3.31Å; Q121-S123 WeakPolarHBondContact CG-OG 3.27Å; Q121-S123 PolarHBondContact O-N 3.45Å; Q121-M124 HydrophobicContact CB-CB 4.32Å; Q121-M124 HydrophobicContact CG-CB 4.08Å; Q121-M124 PolarHBondContact O-N 3.46Å | ||
| 122 | P | 86.8 | Confident | 93.1 | Very high | 102 Ų | 102 | 78.3 Ų | 78.3 | 66% | 0.662 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18 | -179.1 | 27.3 | -34.9 | 0 | 0 | 0 | 113.6 | M124 | P122-M124 VanDerWaalsContact C-N 3.32Š|
| 123 | S | 90.1 | Very high | 93.1 | Very high | 92 Ų | 92 | 80.3 Ų | 80.3 | 64% | 0.643 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -22.6 | 174.3 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | Q121 V125 | Q121-S123 VanDerWaalsContact CG-OG 3.31Å; Q121-S123 WeakPolarHBondContact CG-OG 3.27Å; Q121-S123 PolarHBondContact O-N 3.45Å; S123-V125 PolarHBondContact O-N 3.02Å |
| 124 | M | 90.9 | Very high | 93.2 | Very high | 105 Ų | 105 | 74.4 Ų | 74.4 | 52% | 0.517 | 41% | 0.41 | S | S | . | . | trans | -80 | 103.4 | 176.1 | -170.2 | -174.3 | -169.8 | 0 | 0 | 109.4 | Q121 P122 | Q121-M124 HydrophobicContact CB-CB 4.32Å; Q121-M124 HydrophobicContact CG-CB 4.08Å; Q121-M124 PolarHBondContact O-N 3.46Å; P122-M124 VanDerWaalsContact C-N 3.32Å | ||
| 125 | V | 89.5 | Confident | 93 | Very high | 93 Ų | 93 | 78.2 Ų | 78.2 | 56% | 0.564 | 43% | 0.432 | S | S | * | . | trans | -96 | 109 | -177.1 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | R115 S123 | R115-V125 HydrophobicContact CG-CG1 4.15Å; S123-V125 PolarHBondContact O-N 3.02Å | ||
| 126 | V | 93.4 | Very high | 92.9 | Very high | 64 Ų | 64 | 75.9 Ų | 75.9 | 39% | 0.388 | 43% | 0.426 | S | S | . | . | trans | -102.1 | 108.8 | 167.3 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | R115 R116 | R115-V126 CarbonylContact C-O 3.6Å; R115-V126 WeakPolarHBondContact CA-O 3.46Å; R116-V126 HydrophobicContact CB-CB 4.28Å; R116-V126 HydrophobicContact CG-CG1 4.39Å; R116-V126 PolarHBondContact N-O 2.96Å | ||
| 127 | A | 94.1 | Very high | 92.8 | Very high | 82 Ų | 82 | 77.7 Ų | 77.7 | 68% | 0.678 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 139.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 128 | A | 94.1 | Very high | 92.6 | Very high | 22 Ų | 22 | 78.6 Ų | 78.6 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 149.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | F102 A114 | F102-A128 HydrophobicContact CD1-CB 3.64Å; F102-A128 HydrophobicContact CE1-CB 3.58Å; A114-A128 HydrophobicContact CB-CB 4.03Å; A114-A128 PolarHBondContact O-N 2.79Å |
| 129 | S | 94.5 | Very high | 92.5 | Very high | 83 Ų | 83 | 81.7 Ų | 81.7 | 58% | 0.58 | 46% | 0.459 | S | S | * | . | trans | -70.6 | 155 | 173.7 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 130 | Y | 94.8 | Very high | 92.5 | Very high | 84 Ų | 84 | 75.6 Ų | 75.6 | 33% | 0.329 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -118.8 | 136.9 | 170.9 | -172.3 | -95.1 | 0 | 0 | 0 | 108.7 | S37 E39 I112 L132 | S37-Y130 PolarHBondContact O-OH 3.35Å; E39-Y130 PolarHBondContact N-OH 2.91Å; I112-Y130 HydrophobicContact CD1-CE1 4.17Å; I112-Y130 HydrophobicContact CD1-CE2 4.25Å; I112-Y130 HydrophobicContact CG2-CD2 3.78Å; I112-Y130 HydrophobicContact CG2-CE2 3.74Å; I112-Y130 HydrophobicContact CG2-CG 4.32Å; Y130-L132 HydrophobicContact CD2-CG 4.47Å |
| 131 | P | 95.4 | Very high | 92.5 | Very high | 71 Ų | 71 | 79.1 Ų | 79.1 | 46% | 0.461 | 44% | 0.437 | S | S | . | . | S | Bend | cis | -66.7 | 158.1 | 3.8 | 29.7 | -36.7 | 0 | 0 | 0 | 113.3 | E39 | E39-P131 HydrophobicContact CB-CB 4.4Š|
| 132 | L | 96.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 82.2 Ų | 82.2 | 1% | 0.005 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 139 | -175.5 | -62.9 | 174.2 | 0 | 0 | 0 | 111.4 | V38 E39 G40 R41 F78 V90 F102 V104 A114 Y130 F134 | V38-L132 HydrophobicContact CG1-CD1 4.14Å; E39-L132 PolarHBondContact O-N 2.99Å; E39-L132 VanDerWaalsContact O-N 3.08Å; G40-L132 CarbonylContact C-O 3.6Å; G40-L132 WeakPolarHBondContact CA-O 3.31Å; R41-L132 PolarHBondContact N-O 2.87Å; F78-L132 HydrophobicContact CZ-CB 4.45Å; F78-L132 HydrophobicContact CZ-CD1 4.41Å; V90-L132 HydrophobicContact CB-CD1 4.1Å; V90-L132 HydrophobicContact CG1-CD1 3.96Å; V90-L132 HydrophobicContact CG2-CD1 4.33Å; F102-L132 HydrophobicContact CB-CD2 3.93Å; F102-L132 HydrophobicContact CD2-CD2 4.4Å; F102-L132 HydrophobicContact CG-CD2 4.05Å; V104-L132 HydrophobicContact CG2-CD1 3.79Å; V104-L132 HydrophobicContact CG2-CD2 4.11Å; V104-L132 HydrophobicContact CG2-CG 4.42Å; A114-L132 HydrophobicContact CB-CD2 3.52Å; Y130-L132 HydrophobicContact CD2-CG 4.47Å; L132-F134 HydrophobicContact CB-CD2 4.3Å; L132-F134 HydrophobicContact CB-CE2 3.84Å; L132-F134 HydrophobicContact CD1-CE2 3.92Å; L132-F134 HydrophobicContact CD1-CZ 4.26Å |
| 133 | I | 96 | Very high | 92.7 | Very high | 81 Ų | 81 | 86.2 Ų | 86.2 | 42% | 0.415 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 109.1 | 174.8 | -55.7 | 175.2 | 0 | 0 | 0 | 108.3 | R41 V43 F102 V135 | R41-I133 WeakPolarHBondContact O-CA 3.19Å; V43-I133 HydrophobicContact CG2-CG2 3.98Å; F102-I133 WeakPolarHBondContact CE2-O 3.06Å; I133-V135 HydrophobicContact CG2-CG2 4.26Å |
| 134 | F | 96.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 93.3 Ų | 93.3 | 0% | 0.004 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120.3 | 175.6 | -72 | -90.4 | 0 | 0 | 0 | 109.7 | R41 V42 V43 F78 V90 V92 F99 E100 F102 L132 | R41-F134 PolarHBondContact O-N 2.83Å; V42-F134 HydrophobicContact CG1-CB 4.46Å; V42-F134 HydrophobicContact CG2-CB 4.25Å; V43-F134 PolarHBondContact N-O 3.45Å; F78-F134 AromaticContact CE1-CD2 3.86Å; F78-F134 HydrophobicContact CE1-CD2 3.86Å; F78-F134 AromaticContact CE1-CE2 3.95Å; F78-F134 HydrophobicContact CE1-CE2 3.95Å; F78-F134 HydrophobicContact CZ-CD2 4.1Å; F78-F134 AromaticContact CZ-CE2 3.7Å; F78-F134 HydrophobicContact CZ-CE2 3.7Å; V90-F134 HydrophobicContact CB-CZ 4.27Å; V90-F134 HydrophobicContact CG1-CE2 4.24Å; V90-F134 HydrophobicContact CG1-CZ 3.83Å; V90-F134 WeakPolarHBondContact O-CZ 3.45Å; V92-F134 HydrophobicContact CB-CD1 4.39Å; V92-F134 HydrophobicContact CG2-CB 3.98Å; V92-F134 HydrophobicContact CG2-CD1 3.58Å; V92-F134 HydrophobicContact CG2-CD2 3.78Å; V92-F134 HydrophobicContact CG2-CE1 3.9Å; V92-F134 HydrophobicContact CG2-CE2 4.12Å; V92-F134 HydrophobicContact CG2-CG 3.49Å; V92-F134 VanDerWaalsContact CG2-CG 3.49Å; V92-F134 HydrophobicContact CG2-CZ 4.16Å; F99-F134 HydrophobicContact CB-CD1 4.25Å; F99-F134 HydrophobicContact CD1-CB 3.94Å; F99-F134 HydrophobicContact CE1-CB 4.46Å; E100-F134 WeakPolarHBondContact O-CD1 3.3Å; E100-F134 WeakPolarHBondContact O-CE1 3.49Å; F102-F134 AromaticContact CD2-CD1 3.92Å; F102-F134 HydrophobicContact CD2-CD1 3.92Å; F102-F134 AromaticContact CD2-CE1 3.49Å; F102-F134 HydrophobicContact CD2-CE1 3.49Å; F102-F134 VanDerWaalsContact CD2-CE1 3.49Å; F102-F134 HydrophobicContact CD2-CE2 4.15Å; F102-F134 HydrophobicContact CD2-CG 4.46Å; F102-F134 AromaticContact CD2-CZ 3.62Å; F102-F134 HydrophobicContact CD2-CZ 3.62Å; F102-F134 AromaticContact CE2-CD1 3.94Å; F102-F134 HydrophobicContact CE2-CD1 3.94Å; F102-F134 HydrophobicContact CE2-CE1 4Å; F102-F134 HydrophobicContact CE2-CG 4.29Å; F102-F134 HydrophobicContact CE2-CZ 4.36Å; L132-F134 HydrophobicContact CB-CD2 4.3Å; L132-F134 HydrophobicContact CB-CE2 3.84Å; L132-F134 HydrophobicContact CD1-CE2 3.92Å; L132-F134 HydrophobicContact CD1-CZ 4.26Å |
| 135 | V | 93.7 | Very high | 92.5 | Very high | 87 Ų | 87 | 96 Ų | 96 | 53% | 0.527 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 141.5 | 174.2 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | F99 I133 K137 | F99-V135 WeakPolarHBondContact CD1-O 3.4Å; I133-V135 HydrophobicContact CG2-CG2 4.26Å; V135-K137 PolarHBondContact O-N 3.28Å |
| 136 | V | 92.8 | Very high | 92.4 | Very high | 20 Ų | 20 | 102.5 Ų | 102.5 | 12% | 0.121 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 123 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | L44 M48 F99 | L44-V136 HydrophobicContact CD2-CG2 3.84Å; M48-V136 HydrophobicContact SD-CB 4.43Å; M48-V136 HydrophobicContact SD-CG1 3.89Å; M48-V136 HydrophobicContact SD-CG2 3.9Å; F99-V136 HydrophobicContact CD1-CG2 4.46Å; F99-V136 HydrophobicContact CE1-CB 4.25Å; F99-V136 HydrophobicContact CE1-CG2 3.51Å; F99-V136 HydrophobicContact CZ-CG2 3.6Å |
| 137 | K | 91.6 | Very high | 92.1 | Very high | 162 Ų | 162 | 108.7 Ų | 108.7 | 70% | 0.704 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -45.2 | 176.1 | -176.2 | 175.7 | -179.8 | 174.9 | 0 | 111.5 | I98 V135 | I98-K137 PolarHBondContact O-N 2.84Å; V135-K137 PolarHBondContact O-N 3.28Å |
| 138 | S | 90.1 | Very high | 91.8 | Very high | 54 Ų | 54 | 114.3 Ų | 114.3 | 38% | 0.378 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 164.5 | 179.1 | 60 | 0 | 0 | 0 | 0 | 111.1 | I98 | I98-S138 PolarHBondContact N-O 3.07Å |
| 139 | Q | 90.1 | Very high | 91.3 | Very high | 123 Ų | 123 | 124.6 Ų | 124.6 | 58% | 0.575 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 141 | 168.4 | -66.2 | -177.5 | -1.6 | 0 | 0 | 110.2 | N96 R141 | N96-Q139 WeakPolarHBondContact O-CA 3.47Å; Q139-R141 PolarHBondContact O-N 3.45Å |
| 140 | A | 89.9 | Confident | 90.8 | Very high | 20 Ų | 20 | 128.3 Ų | 128.3 | 17% | 0.165 | 56% | 0.555 | C | S | . | * | trans | -70 | 119.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | A95 N96 I98 Y142 | A95-A140 WeakPolarHBondContact O-CB 3.48Å; N96-A140 PolarHBondContact O-N 3.36Å; I98-A140 HydrophobicContact CD1-CB 4.26Å; I98-A140 HydrophobicContact CG1-CB 4.17Å; A140-Y142 HydrophobicContact CB-CD2 4.29Å; A140-Y142 HydrophobicContact CB-CE1 4.46Å; A140-Y142 HydrophobicContact CB-CE2 3.66Å | ||
| 141 | R | 90.8 | Very high | 90.6 | Very high | 212 Ų | 212 | 130.6 Ų | 130.6 | 80% | 0.8 | 57% | 0.572 | S | S | * | * | trans | -112.2 | 84.1 | 173.7 | -67.5 | -176.9 | 178.8 | 177 | 0.2 | 108.9 | Q139 F143 | Q139-R141 PolarHBondContact O-N 3.45Å; R141-F143 VanDerWaalsContact C-N 3.3Å | ||
| 142 | Y | 90.5 | Very high | 90.3 | Very high | 167 Ų | 167 | 131.1 Ų | 131.1 | 66% | 0.655 | 57% | 0.574 | S | S | * | * | trans | -68.8 | -32.6 | 179 | -60.9 | -70.9 | 0 | 0 | 0 | 112.6 | A95 A140 | A95-Y142 WeakPolarHBondContact O-CE2 3.16Å; A95-Y142 PolarHBondContact O-OH 3.23Å; A140-Y142 HydrophobicContact CB-CD2 4.29Å; A140-Y142 HydrophobicContact CB-CE1 4.46Å; A140-Y142 HydrophobicContact CB-CE2 3.66Å | ||
| 143 | F | 91 | Very high | 89.9 | Confident | 186 Ų | 186 | 135.3 Ų | 135.3 | 82% | 0.816 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -90.2 | 117.5 | 176.5 | -58.2 | -75.7 | 0 | 0 | 0 | 109.6 | R141 Q145 | R141-F143 VanDerWaalsContact C-N 3.3Å; F143-Q145 PolarHBondContact O-N 2.89Å |
| 144 | R | 88.5 | Confident | 89.6 | Confident | 241 Ų | 241 | 136.9 Ų | 136.9 | 91% | 0.909 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 126.4 | 159.8 | -69.7 | -167.8 | -173 | -173.6 | 3.9 | 107.3 | R146 | R144-R146 PolarHBondContact O-N 3.45Š|
| 145 | Q | 88.6 | Confident | 89.3 | Confident | 161 Ų | 161 | 140.8 Ų | 140.8 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 130.1 | 169.3 | -67.9 | -174 | -8.2 | 0 | 0 | 107.6 | F143 E147 | F143-Q145 PolarHBondContact O-N 2.89Å; Q145-E147 PolarHBondContact O-N 3.04Å |
| 146 | R | 88.8 | Confident | 89.2 | Confident | 230 Ų | 230 | 142.7 Ų | 142.7 | 87% | 0.868 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 134.8 | 172.8 | -67 | -180 | -180 | -97.9 | 1.2 | 107.7 | R144 R148 | R144-R146 PolarHBondContact O-N 3.45Å; R146-R148 PolarHBondContact O-N 3.21Å |
| 147 | E | 86 | Confident | 89.1 | Confident | 195 Ų | 195 | 143.2 Ų | 143.2 | 91% | 0.911 | 63% | 0.632 | S | S | * | * | trans | -53.3 | 112.3 | 169.8 | -69.6 | 172.2 | -167.3 | 0 | 0 | 107.2 | Q145 | Q145-E147 PolarHBondContact O-N 3.04Š| ||
| 148 | R | 87.3 | Confident | 89.2 | Confident | 200 Ų | 200 | 140.6 Ų | 140.6 | 76% | 0.755 | 63% | 0.631 | S | S | * | * | trans | -79.8 | 142 | 175.4 | -65 | -176.3 | -178.5 | 179.6 | -0.8 | 106.5 | R146 R150 | R146-R148 PolarHBondContact O-N 3.21Å; R148-R150 VanDerWaalsContact C-N 3.26Å; R148-R150 PolarHBondContact O-N 3.5Å | ||
| 149 | W | 83.9 | Confident | 89.4 | Confident | 238 Ų | 238 | 145.7 Ų | 145.7 | 90% | 0.902 | 65% | 0.651 | S | S | * | * | trans | -60.8 | 93.8 | 165.8 | -71.7 | 91.6 | 0 | 0 | 0 | 108.5 | ||||
| 150 | R | 84.6 | Confident | 89.6 | Confident | 160 Ų | 160 | 140.6 Ų | 140.6 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | trans | -86.3 | 121.6 | 169.2 | -74.1 | 179.5 | 167.1 | -169.8 | -0.8 | 106.8 | R148 T152 D153 F154 | R148-R150 VanDerWaalsContact C-N 3.26Å; R148-R150 PolarHBondContact O-N 3.5Å; R150-T152 PolarHBondContact O-N 2.81Å; R150-D153 HydrophobicContact CB-CB 3.89Å; R150-D153 VanDerWaalsContact CB-CG 3.44Å; R150-D153 VanDerWaalsContact CD-OD2 3.26Å; R150-D153 WeakPolarHBondContact CD-OD2 3.38Å; R150-D153 PolarHBondContact O-N 3.04Å; R150-F154 PolarHBondContact O-N 3.45Å; R150-F154 VanDerWaalsContact O-N 3.07Å | ||
| 151 | I | 89.4 | Confident | 89.8 | Confident | 133 Ų | 133 | 144.4 Ų | 144.4 | 68% | 0.682 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -57.5 | -33.4 | 175.5 | -58.7 | 167.7 | 0 | 0 | 0 | 109.9 | F154 L155 | I151-F154 PolarHBondContact O-N 3.26Å; I151-L155 HydrophobicContact CG2-CD1 3.92Å; I151-L155 HydrophobicContact CG2-CG 4.26Å; I151-L155 WeakPolarHBondContact O-CB 3.34Å; I151-L155 WeakPolarHBondContact O-CG 3.43Å; I151-L155 PolarHBondContact O-N 3.42Å |
| 152 | T | 89.9 | Confident | 90 | Very high | 81 Ų | 81 | 139.2 Ų | 139.2 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -61.9 | -41.7 | 173.2 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | R150 F154 L155 L156 | R150-T152 PolarHBondContact O-N 2.81Å; T152-F154 VanDerWaalsContact C-N 3.29Å; T152-F154 PolarHBondContact O-N 3.43Å; T152-L155 PolarHBondContact O-N 2.98Å; T152-L156 VanDerWaalsContact O-CB 3.24Å; T152-L156 WeakPolarHBondContact O-CB 3.46Å; T152-L156 VanDerWaalsContact O-CG 3.27Å; T152-L156 WeakPolarHBondContact O-CG 3.31Å; T152-L156 PolarHBondContact O-N 3.32Å |
| 153 | D | 88.6 | Confident | 90.1 | Very high | 90 Ų | 90 | 136.1 Ų | 136.1 | 48% | 0.481 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.7 | -30.1 | -179.2 | -60.3 | 6.5 | 0 | 0 | 0 | 110.4 | R150 S157 | R150-D153 HydrophobicContact CB-CB 3.89Å; R150-D153 VanDerWaalsContact CB-CG 3.44Å; R150-D153 VanDerWaalsContact CD-OD2 3.26Å; R150-D153 WeakPolarHBondContact CD-OD2 3.38Å; R150-D153 PolarHBondContact O-N 3.04Å; D153-S157 PolarHBondContact O-N 3.3Å |
| 154 | F | 88.5 | Confident | 90.3 | Very high | 114 Ų | 114 | 131 Ų | 131 | 50% | 0.5 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.3 | -48.9 | 171.7 | 178.7 | -101.8 | 0 | 0 | 0 | 112.4 | R150 I151 T152 L156 S157 V160 | R150-F154 PolarHBondContact O-N 3.45Å; R150-F154 VanDerWaalsContact O-N 3.07Å; I151-F154 PolarHBondContact O-N 3.26Å; T152-F154 VanDerWaalsContact C-N 3.29Å; T152-F154 PolarHBondContact O-N 3.43Å; F154-L156 PolarHBondContact O-N 2.91Å; F154-S157 VanDerWaalsContact O-CB 3.28Å; F154-S157 WeakPolarHBondContact O-CB 3.21Å; F154-S157 PolarHBondContact O-N 3.44Å; F154-S157 PolarHBondContact O-OG 3.46Å; F154-V160 HydrophobicContact CD1-CG2 4.48Å; F154-V160 HydrophobicContact CD2-CG2 4.37Å; F154-V160 HydrophobicContact CE1-CG1 4.4Å; F154-V160 HydrophobicContact CE1-CG2 4.05Å; F154-V160 HydrophobicContact CE2-CG2 3.92Å; F154-V160 HydrophobicContact CZ-CG2 3.75Å; F154-V160 WeakPolarHBondContact O-CB 3.44Å |
| 155 | L | 90.3 | Very high | 90.5 | Very high | 83 Ų | 83 | 123.9 Ų | 123.9 | 44% | 0.435 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.2 | -36.8 | 178.7 | -71.8 | 170.3 | 0 | 0 | 0 | 112.7 | I151 T152 S157 V160 L164 | I151-L155 HydrophobicContact CG2-CD1 3.92Å; I151-L155 HydrophobicContact CG2-CG 4.26Å; I151-L155 WeakPolarHBondContact O-CB 3.34Å; I151-L155 WeakPolarHBondContact O-CG 3.43Å; I151-L155 PolarHBondContact O-N 3.42Å; T152-L155 PolarHBondContact O-N 2.98Å; L155-S157 PolarHBondContact O-N 2.91Å; L155-V160 HydrophobicContact CD2-CG1 4.49Å; L155-L164 HydrophobicContact CD2-CD1 4.48Å |
| 156 | L | 91.4 | Very high | 90.8 | Very high | 127 Ų | 127 | 123 Ų | 123 | 67% | 0.665 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 3.1 | 176.6 | -66.7 | 172.1 | 0 | 0 | 0 | 113.3 | T152 F154 | T152-L156 VanDerWaalsContact O-CB 3.24Å; T152-L156 WeakPolarHBondContact O-CB 3.46Å; T152-L156 VanDerWaalsContact O-CG 3.27Å; T152-L156 WeakPolarHBondContact O-CG 3.31Å; T152-L156 PolarHBondContact O-N 3.32Å; F154-L156 PolarHBondContact O-N 2.91Å |
| 157 | S | 92 | Very high | 91 | Very high | 31 Ų | 31 | 116 Ų | 116 | 22% | 0.217 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -65.2 | 137.6 | 174 | 71.1 | 0 | 0 | 0 | 0 | 109.7 | D153 F154 L155 M159 V160 L161 | D153-S157 PolarHBondContact O-N 3.3Å; F154-S157 VanDerWaalsContact O-CB 3.28Å; F154-S157 WeakPolarHBondContact O-CB 3.21Å; F154-S157 PolarHBondContact O-N 3.44Å; F154-S157 PolarHBondContact O-OG 3.46Å; L155-S157 PolarHBondContact O-N 2.91Å; S157-M159 PolarHBondContact O-N 3.18Å; S157-V160 PolarHBondContact O-N 2.87Å; S157-V160 WeakPolarHBondContact OG-CB 3.48Å; S157-V160 WeakPolarHBondContact OG-CG2 3.47Å; S157-V160 PolarHBondContact OG-N 3.15Å; S157-L161 WeakPolarHBondContact O-CB 3.48Å; S157-L161 PolarHBondContact O-N 2.98Å |
| 158 | P | 93.8 | Very high | 91.4 | Very high | 107 Ų | 107 | 113 Ų | 113 | 70% | 0.695 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -54.1 | -32.4 | -177.8 | -27.6 | 33.9 | 0 | 0 | 0 | 113.4 | M162 | P158-M162 WeakPolarHBondContact O-CB 3.28Å; P158-M162 WeakPolarHBondContact O-CG 3.46Å; P158-M162 PolarHBondContact O-N 3.27Å; P158-M162 VanDerWaalsContact O-N 3.15Å |
| 159 | M | 93.2 | Very high | 91.7 | Very high | 160 Ų | 160 | 107 Ų | 107 | 79% | 0.788 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.1 | -47.8 | -179.7 | -170.4 | -179.7 | -71.8 | 0 | 0 | 112.7 | S157 L161 M162 M163 | S157-M159 PolarHBondContact O-N 3.18Å; M159-L161 VanDerWaalsContact C-N 3.34Å; M159-M162 PolarHBondContact O-N 3.23Å; M159-M163 PolarHBondContact O-N 2.93Å |
| 160 | V | 94.5 | Very high | 92 | Very high | 17 Ų | 17 | 102.4 Ų | 102.4 | 10% | 0.103 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 178.8 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | F154 L155 S157 M163 L164 | F154-V160 HydrophobicContact CD1-CG2 4.48Å; F154-V160 HydrophobicContact CD2-CG2 4.37Å; F154-V160 HydrophobicContact CE1-CG1 4.4Å; F154-V160 HydrophobicContact CE1-CG2 4.05Å; F154-V160 HydrophobicContact CE2-CG2 3.92Å; F154-V160 HydrophobicContact CZ-CG2 3.75Å; F154-V160 WeakPolarHBondContact O-CB 3.44Å; L155-V160 HydrophobicContact CD2-CG1 4.49Å; S157-V160 PolarHBondContact O-N 2.87Å; S157-V160 WeakPolarHBondContact OG-CB 3.48Å; S157-V160 WeakPolarHBondContact OG-CG2 3.47Å; S157-V160 PolarHBondContact OG-N 3.15Å; V160-M163 HydrophobicContact CG1-CE 4.37Å; V160-M163 WeakPolarHBondContact O-CB 3.49Å; V160-M163 PolarHBondContact O-N 3.1Å; V160-L164 HydrophobicContact CG1-CD1 4.25Å; V160-L164 HydrophobicContact CG1-CG 4.46Å; V160-L164 WeakPolarHBondContact O-CG 3.35Å; V160-L164 PolarHBondContact O-N 3.3Å |
| 161 | L | 95 | Very high | 92.3 | Very high | 99 Ų | 99 | 99.8 Ų | 99.8 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.9 | -169.5 | 68.8 | 0 | 0 | 0 | 112 | S157 M159 L164 L165 | S157-L161 WeakPolarHBondContact O-CB 3.48Å; S157-L161 PolarHBondContact O-N 2.98Å; M159-L161 VanDerWaalsContact C-N 3.34Å; L161-L164 PolarHBondContact O-N 2.79Å; L161-L165 VanDerWaalsContact O-CB 3.31Å; L161-L165 WeakPolarHBondContact O-CB 3.27Å; L161-L165 PolarHBondContact O-N 3.08Å |
| 162 | M | 94 | Very high | 92.3 | Very high | 103 Ų | 103 | 95.8 Ų | 95.8 | 51% | 0.507 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 173.8 | -73.5 | -66.6 | 174.1 | 0 | 0 | 111.5 | P158 M159 L164 L165 F166 | P158-M162 WeakPolarHBondContact O-CB 3.28Å; P158-M162 WeakPolarHBondContact O-CG 3.46Å; P158-M162 PolarHBondContact O-N 3.27Å; P158-M162 VanDerWaalsContact O-N 3.15Å; M159-M162 PolarHBondContact O-N 3.23Å; M162-L164 PolarHBondContact O-N 2.96Å; M162-L165 PolarHBondContact O-N 3.2Å; M162-L165 HydrophobicContact SD-CD2 4.28Å; M162-F166 HydrophobicContact CB-CD2 4.35Å; M162-F166 HydrophobicContact CB-CE2 4.14Å; M162-F166 WeakPolarHBondContact O-CB 3.24Å; M162-F166 WeakPolarHBondContact O-CD2 3.26Å; M162-F166 WeakPolarHBondContact O-CG 3.27Å; M162-F166 PolarHBondContact O-N 2.78Å |
| 163 | M | 93.5 | Very high | 92.1 | Very high | 103 Ų | 103 | 98.8 Ų | 98.8 | 51% | 0.507 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59 | -47.5 | 175.3 | -176.6 | -168.9 | 72.4 | 0 | 0 | 111.7 | M159 V160 L165 F166 L167 | M159-M163 PolarHBondContact O-N 2.93Å; V160-M163 HydrophobicContact CG1-CE 4.37Å; V160-M163 WeakPolarHBondContact O-CB 3.49Å; V160-M163 PolarHBondContact O-N 3.1Å; M163-L165 VanDerWaalsContact C-N 3.34Å; M163-L165 PolarHBondContact O-N 3.09Å; M163-F166 PolarHBondContact O-N 3.35Å; M163-L167 HydrophobicContact CG-CD1 4.43Å; M163-L167 WeakPolarHBondContact O-CG 3.27Å; M163-L167 PolarHBondContact O-N 2.89Å |
| 164 | L | 93.7 | Very high | 91.8 | Very high | 79 Ų | 79 | 97.1 Ų | 97.1 | 41% | 0.414 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 176.6 | -70.6 | 175.4 | 0 | 0 | 0 | 112 | L155 V160 L161 M162 L167 F168 | L155-L164 HydrophobicContact CD2-CD1 4.48Å; V160-L164 HydrophobicContact CG1-CD1 4.25Å; V160-L164 HydrophobicContact CG1-CG 4.46Å; V160-L164 WeakPolarHBondContact O-CG 3.35Å; V160-L164 PolarHBondContact O-N 3.3Å; L161-L164 PolarHBondContact O-N 2.79Å; M162-L164 PolarHBondContact O-N 2.96Å; L164-L167 PolarHBondContact O-N 2.94Å; L164-F168 VanDerWaalsContact O-CB 3.31Å; L164-F168 WeakPolarHBondContact O-CB 3.26Å; L164-F168 PolarHBondContact O-N 2.51Å |
| 165 | L | 93.5 | Very high | 91.5 | Very high | 90 Ų | 90 | 98.4 Ų | 98.4 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 175.3 | -179.6 | 64.8 | 0 | 0 | 0 | 111.5 | L161 M162 M163 F168 V169 | L161-L165 VanDerWaalsContact O-CB 3.31Å; L161-L165 WeakPolarHBondContact O-CB 3.27Å; L161-L165 PolarHBondContact O-N 3.08Å; M162-L165 PolarHBondContact O-N 3.2Å; M162-L165 HydrophobicContact SD-CD2 4.28Å; M163-L165 VanDerWaalsContact C-N 3.34Å; M163-L165 PolarHBondContact O-N 3.09Å; L165-F168 WeakPolarHBondContact O-CB 3.28Å; L165-F168 PolarHBondContact O-N 2.65Å; L165-V169 WeakPolarHBondContact O-CG2 3.08Å; L165-V169 PolarHBondContact O-N 2.79Å |
| 166 | F | 93.9 | Very high | 90.9 | Very high | 143 Ų | 143 | 99.5 Ų | 99.5 | 63% | 0.627 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 176.3 | -74.6 | -58.2 | 0 | 0 | 0 | 111.9 | M162 M163 F168 V169 M170 | M162-F166 HydrophobicContact CB-CD2 4.35Å; M162-F166 HydrophobicContact CB-CE2 4.14Å; M162-F166 WeakPolarHBondContact O-CB 3.24Å; M162-F166 WeakPolarHBondContact O-CD2 3.26Å; M162-F166 WeakPolarHBondContact O-CG 3.27Å; M162-F166 PolarHBondContact O-N 2.78Å; M163-F166 PolarHBondContact O-N 3.35Å; F166-F168 VanDerWaalsContact C-N 3.35Å; F166-V169 PolarHBondContact O-N 2.92Å; F166-M170 WeakPolarHBondContact O-CB 3.14Å; F166-M170 PolarHBondContact O-N 2.99Å |
| 167 | L | 93.7 | Very high | 89.9 | Confident | 83 Ų | 83 | 95.3 Ų | 95.3 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 173.3 | -74.8 | 172.8 | 0 | 0 | 0 | 111.7 | M163 L164 M170 I171 | M163-L167 HydrophobicContact CG-CD1 4.43Å; M163-L167 WeakPolarHBondContact O-CG 3.27Å; M163-L167 PolarHBondContact O-N 2.89Å; L164-L167 PolarHBondContact O-N 2.94Å; L167-M170 PolarHBondContact O-N 2.85Å; L167-I171 VanDerWaalsContact O-CG1 3.27Å; L167-I171 WeakPolarHBondContact O-CG1 3.43Å; L167-I171 PolarHBondContact O-N 2.85Å |
| 168 | F | 94.7 | Very high | 88.8 | Confident | 133 Ų | 133 | 99.8 Ų | 99.8 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.8 | -47 | 176.4 | -178.9 | -101.1 | 0 | 0 | 0 | 111.5 | L164 L165 F166 I171 V172 | L164-F168 VanDerWaalsContact O-CB 3.31Å; L164-F168 WeakPolarHBondContact O-CB 3.26Å; L164-F168 PolarHBondContact O-N 2.51Å; L165-F168 WeakPolarHBondContact O-CB 3.28Å; L165-F168 PolarHBondContact O-N 2.65Å; F166-F168 VanDerWaalsContact C-N 3.35Å; F168-I171 PolarHBondContact O-N 3.41Å; F168-V172 HydrophobicContact CD1-CG2 4.27Å; F168-V172 HydrophobicContact CD2-CG2 4.27Å; F168-V172 HydrophobicContact CE1-CG2 3.92Å; F168-V172 HydrophobicContact CE2-CG2 3.92Å; F168-V172 HydrophobicContact CG-CG2 4.43Å; F168-V172 HydrophobicContact CZ-CG2 3.73Å; F168-V172 WeakPolarHBondContact O-CB 3.43Å; F168-V172 VanDerWaalsContact O-CG2 3.3Å; F168-V172 WeakPolarHBondContact O-CG2 3.26Å; F168-V172 PolarHBondContact O-N 3.14Å |
| 169 | V | 93.2 | Very high | 87.2 | Confident | 73 Ų | 73 | 101.2 Ų | 101.2 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.2 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L165 F166 I171 V172 F173 | L165-V169 WeakPolarHBondContact O-CG2 3.08Å; L165-V169 PolarHBondContact O-N 2.79Å; F166-V169 PolarHBondContact O-N 2.92Å; V169-I171 PolarHBondContact O-N 3.01Å; V169-V172 PolarHBondContact O-N 2.98Å; V169-F173 HydrophobicContact CG1-CB 4.34Å; V169-F173 WeakPolarHBondContact O-CB 3.31Å; V169-F173 PolarHBondContact O-N 2.78Å |
| 170 | M | 89.7 | Confident | 85.7 | Confident | 141 Ų | 141 | 95.5 Ų | 95.5 | 70% | 0.695 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.4 | -29.5 | 176.6 | -175 | -176.3 | 176.6 | 0 | 0 | 112.7 | F166 L167 P174 | F166-M170 WeakPolarHBondContact O-CB 3.14Å; F166-M170 PolarHBondContact O-N 2.99Å; L167-M170 PolarHBondContact O-N 2.85Å; M170-P174 WeakPolarHBondContact O-CD 3.41Å; M170-P174 WeakPolarHBondContact O-CG 3.19Å |
| 171 | I | 91.5 | Very high | 84.4 | Confident | 105 Ų | 105 | 99.9 Ų | 99.9 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -83.1 | -39.6 | 176.6 | -67 | 165 | 0 | 0 | 0 | 111.4 | L167 F168 V169 | L167-I171 VanDerWaalsContact O-CG1 3.27Å; L167-I171 WeakPolarHBondContact O-CG1 3.43Å; L167-I171 PolarHBondContact O-N 2.85Å; F168-I171 PolarHBondContact O-N 3.41Å; V169-I171 PolarHBondContact O-N 3.01Å |
| 172 | V | 89.7 | Confident | 83.1 | Confident | 49 Ų | 49 | 99.1 Ų | 99.1 | 30% | 0.297 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -79.7 | -44.5 | -175.6 | 173.8 | 0 | 0 | 0 | 0 | 112 | F168 V169 K175 L176 | F168-V172 HydrophobicContact CD1-CG2 4.27Å; F168-V172 HydrophobicContact CD2-CG2 4.27Å; F168-V172 HydrophobicContact CE1-CG2 3.92Å; F168-V172 HydrophobicContact CE2-CG2 3.92Å; F168-V172 HydrophobicContact CG-CG2 4.43Å; F168-V172 HydrophobicContact CZ-CG2 3.73Å; F168-V172 WeakPolarHBondContact O-CB 3.43Å; F168-V172 VanDerWaalsContact O-CG2 3.3Å; F168-V172 WeakPolarHBondContact O-CG2 3.26Å; F168-V172 PolarHBondContact O-N 3.14Å; V169-V172 PolarHBondContact O-N 2.98Å; V172-K175 WeakPolarHBondContact O-CB 3.41Å; V172-K175 PolarHBondContact O-N 2.98Å; V172-K175 VanDerWaalsContact O-N 3.08Å; V172-L176 HydrophobicContact CG1-CD1 3.73Å; V172-L176 HydrophobicContact CG1-CG 3.99Å; V172-L176 WeakPolarHBondContact O-CG 3.38Å; V172-L176 PolarHBondContact O-N 3.49Å |
| 173 | F | 84.7 | Confident | 81.9 | Confident | 144 Ų | 144 | 100.6 Ų | 100.6 | 63% | 0.632 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -55.1 | -48.6 | -177.8 | -170.2 | -101.1 | 0 | 0 | 0 | 114.3 | V169 K175 L176 A177 | V169-F173 HydrophobicContact CG1-CB 4.34Å; V169-F173 WeakPolarHBondContact O-CB 3.31Å; V169-F173 PolarHBondContact O-N 2.78Å; F173-K175 VanDerWaalsContact C-N 3.28Å; F173-K175 PolarHBondContact O-N 2.76Å; F173-L176 PolarHBondContact O-N 2.89Å; F173-A177 WeakPolarHBondContact O-CB 3.34Å; F173-A177 PolarHBondContact O-N 2.81Å |
| 174 | P | 82.7 | Confident | 80.7 | Confident | 55 Ų | 55 | 98.2 Ų | 98.2 | 36% | 0.357 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66 | -31.8 | 177 | 27 | -35.5 | 0 | 0 | 0 | 112 | M170 A177 N178 | M170-P174 WeakPolarHBondContact O-CD 3.41Å; M170-P174 WeakPolarHBondContact O-CG 3.19Å; P174-A177 PolarHBondContact O-N 2.94Å; P174-N178 WeakPolarHBondContact O-CB 3.19Å; P174-N178 PolarHBondContact O-N 2.87Å; P174-N178 PolarHBondContact O-ND2 2.84Å |
| 175 | K | 82 | Confident | 79.4 | Confident | 142 Ų | 142 | 98.6 Ų | 98.6 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.9 | -40.2 | 174.8 | -71.9 | -169.6 | 174.1 | -175.9 | 0 | 111.6 | V172 F173 L179 | V172-K175 WeakPolarHBondContact O-CB 3.41Å; V172-K175 PolarHBondContact O-N 2.98Å; V172-K175 VanDerWaalsContact O-N 3.08Å; F173-K175 VanDerWaalsContact C-N 3.28Å; F173-K175 PolarHBondContact O-N 2.76Å; K175-L179 WeakPolarHBondContact O-CB 3.21Å; K175-L179 WeakPolarHBondContact O-CD1 3.28Å; K175-L179 WeakPolarHBondContact O-CG 3.25Å; K175-L179 PolarHBondContact O-N 2.85Å; K175-L179 VanDerWaalsContact O-N 3.16Å |
| 176 | L | 78 | Confident | 78.4 | Confident | 105 Ų | 105 | 101.5 Ų | 101.5 | 55% | 0.55 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 173.2 | -63.9 | 178 | 0 | 0 | 0 | 112 | V172 F173 L179 S180 | V172-L176 HydrophobicContact CG1-CD1 3.73Å; V172-L176 HydrophobicContact CG1-CG 3.99Å; V172-L176 WeakPolarHBondContact O-CG 3.38Å; V172-L176 PolarHBondContact O-N 3.49Å; F173-L176 PolarHBondContact O-N 2.89Å; L176-L179 CarbonylContact O-C 3.54Å; L176-L179 PolarHBondContact O-N 3.01Å; L176-S180 PolarHBondContact O-N 2.77Å |
| 177 | A | 70.7 | Confident | 77.4 | Confident | 40 Ų | 40 | 100 Ų | 100 | 33% | 0.331 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71 | -29.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F173 P174 S180 | F173-A177 WeakPolarHBondContact O-CB 3.34Å; F173-A177 PolarHBondContact O-N 2.81Å; P174-A177 PolarHBondContact O-N 2.94Å; A177-S180 WeakPolarHBondContact CA-OG 3.42Å; A177-S180 PolarHBondContact O-OG 2.83Å |
| 178 | N | 69.1 | Low | 76.3 | Confident | 124 Ų | 124 | 100 Ų | 100 | 66% | 0.663 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -76.1 | -26.1 | 171.6 | -73 | -38.8 | 0 | 0 | 0 | 112.2 | P174 | P174-N178 WeakPolarHBondContact O-CB 3.19Å; P174-N178 PolarHBondContact O-N 2.87Å; P174-N178 PolarHBondContact O-ND2 2.84Å |
| 179 | L | 60.6 | Low | 75.3 | Confident | 137 Ų | 137 | 98 Ų | 98 | 72% | 0.717 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -86.7 | -19.9 | 176 | -70.7 | 170.1 | 0 | 0 | 0 | 113 | K175 L176 D181 | K175-L179 WeakPolarHBondContact O-CB 3.21Å; K175-L179 WeakPolarHBondContact O-CD1 3.28Å; K175-L179 WeakPolarHBondContact O-CG 3.25Å; K175-L179 PolarHBondContact O-N 2.85Å; K175-L179 VanDerWaalsContact O-N 3.16Å; L176-L179 CarbonylContact O-C 3.54Å; L176-L179 PolarHBondContact O-N 3.01Å; L179-D181 PolarHBondContact O-N 2.95Å |
| 180 | S | 62 | Low | 74.4 | Confident | 41 Ų | 41 | 99.6 Ų | 99.6 | 29% | 0.287 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -69.8 | 117.2 | 171.2 | 54.5 | 0 | 0 | 0 | 0 | 109.3 | L176 A177 | L176-S180 PolarHBondContact O-N 2.77Å; A177-S180 WeakPolarHBondContact CA-OG 3.42Å; A177-S180 PolarHBondContact O-OG 2.83Å |
| 181 | D | 66.1 | Low | 73.6 | Confident | 109 Ų | 109 | 98.8 Ų | 98.8 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | trans | -38.9 | 154.8 | -171.6 | -66.5 | -61.5 | 0 | 0 | 0 | 116.6 | L179 E183 V184 Q185 | L179-D181 PolarHBondContact O-N 2.95Å; D181-E183 PolarHBondContact O-N 3.09Å; D181-V184 PolarHBondContact O-N 3.21Å; D181-Q185 PolarHBondContact O-N 2.99Å | ||
| 182 | P | 67.8 | Low | 72.6 | Confident | 82 Ų | 82 | 99.5 Ų | 99.5 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -54.4 | -18.9 | 173.9 | 22.6 | -34.4 | 0 | 0 | 0 | 114 | R186 | P182-R186 WeakPolarHBondContact O-CG 3.13Å; P182-R186 PolarHBondContact O-N 3.34Å; P182-R186 VanDerWaalsContact O-N 3.1Å |
| 183 | E | 70.2 | Confident | 71.7 | Confident | 134 Ų | 134 | 102.8 Ų | 102.8 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.6 | -44.5 | 170.6 | -74.5 | -171.3 | 157.4 | 0 | 0 | 112.7 | D181 Q185 R186 E187 | D181-E183 PolarHBondContact O-N 3.09Å; E183-Q185 VanDerWaalsContact C-N 3.3Å; E183-Q185 PolarHBondContact O-N 3.13Å; E183-R186 WeakPolarHBondContact O-CB 2.86Å; E183-R186 PolarHBondContact O-N 2.97Å; E183-R186 VanDerWaalsContact O-N 3.09Å; E183-E187 PolarHBondContact O-N 3.05Å |
| 184 | V | 67 | Low | 70.8 | Confident | 53 Ų | 53 | 102 Ų | 102 | 32% | 0.321 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 177 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | D181 R186 E187 I188 | D181-V184 PolarHBondContact O-N 3.21Å; V184-R186 VanDerWaalsContact C-N 3.29Å; V184-R186 PolarHBondContact O-N 3.35Å; V184-E187 PolarHBondContact O-N 3.24Å; V184-I188 HydrophobicContact CG1-CD1 3.93Å; V184-I188 HydrophobicContact CG1-CG1 4.35Å; V184-I188 WeakPolarHBondContact O-CG1 3.09Å; V184-I188 PolarHBondContact O-N 3.05Å |
| 185 | Q | 67 | Low | 70 | Confident | 87 Ų | 87 | 101.4 Ų | 101.4 | 41% | 0.407 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 173.1 | -66.2 | -171.7 | -3.2 | 0 | 0 | 112 | D181 E183 Q189 | D181-Q185 PolarHBondContact O-N 2.99Å; E183-Q185 VanDerWaalsContact C-N 3.3Å; E183-Q185 PolarHBondContact O-N 3.13Å; Q185-Q189 VanDerWaalsContact O-CB 3.25Å; Q185-Q189 WeakPolarHBondContact O-CB 2.99Å; Q185-Q189 WeakPolarHBondContact O-CG 3.41Å; Q185-Q189 PolarHBondContact O-N 3.28Å |
| 186 | R | 71.4 | Confident | 68.9 | Low | 152 Ų | 152 | 102.9 Ų | 102.9 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.4 | -40.8 | 173.5 | -73.7 | 174.2 | -174.6 | 153.8 | 1.9 | 111.5 | P182 E183 V184 Q189 Q190 | P182-R186 WeakPolarHBondContact O-CG 3.13Å; P182-R186 PolarHBondContact O-N 3.34Å; P182-R186 VanDerWaalsContact O-N 3.1Å; E183-R186 WeakPolarHBondContact O-CB 2.86Å; E183-R186 PolarHBondContact O-N 2.97Å; E183-R186 VanDerWaalsContact O-N 3.09Å; V184-R186 VanDerWaalsContact C-N 3.29Å; V184-R186 PolarHBondContact O-N 3.35Å; R186-Q189 PolarHBondContact O-N 2.92Å; R186-Q190 WeakPolarHBondContact O-CB 3.35Å; R186-Q190 WeakPolarHBondContact O-CG 3.47Å; R186-Q190 PolarHBondContact O-N 2.81Å |
| 187 | E | 72.7 | Confident | 68.2 | Low | 112 Ų | 112 | 102.5 Ų | 102.5 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 175.4 | -70.2 | -175.4 | 179.3 | 0 | 0 | 111.9 | E183 V184 Q190 Q191 | E183-E187 PolarHBondContact O-N 3.05Å; V184-E187 PolarHBondContact O-N 3.24Å; E187-Q190 PolarHBondContact O-N 2.8Å; E187-Q191 VanDerWaalsContact O-CB 3.31Å; E187-Q191 WeakPolarHBondContact O-CB 3.2Å; E187-Q191 VanDerWaalsContact O-CG 3.24Å; E187-Q191 WeakPolarHBondContact O-CG 3.39Å; E187-Q191 PolarHBondContact O-N 2.86Å |
| 188 | I | 71.8 | Confident | 67.3 | Low | 81 Ų | 81 | 110.4 Ų | 110.4 | 42% | 0.415 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 176.3 | -66.1 | 168.9 | 0 | 0 | 0 | 110.7 | V184 Q191 Q192 | V184-I188 HydrophobicContact CG1-CD1 3.93Å; V184-I188 HydrophobicContact CG1-CG1 4.35Å; V184-I188 WeakPolarHBondContact O-CG1 3.09Å; V184-I188 PolarHBondContact O-N 3.05Å; I188-Q191 CarbonylContact O-C 3.53Å; I188-Q191 PolarHBondContact O-N 3.18Å; I188-Q192 HydrophobicContact CG2-CG 4.31Å; I188-Q192 VanDerWaalsContact O-CB 3.26Å; I188-Q192 WeakPolarHBondContact O-CB 3.47Å; I188-Q192 VanDerWaalsContact O-CG 3.31Å; I188-Q192 WeakPolarHBondContact O-CG 3.38Å; I188-Q192 PolarHBondContact O-N 3.05Å |
| 189 | Q | 74.2 | Confident | 66.7 | Low | 93 Ų | 93 | 111.3 Ų | 111.3 | 44% | 0.435 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 175.8 | -76.3 | 174 | 28.6 | 0 | 0 | 111.4 | Q185 R186 Q192 Q193 | Q185-Q189 VanDerWaalsContact O-CB 3.25Å; Q185-Q189 WeakPolarHBondContact O-CB 2.99Å; Q185-Q189 WeakPolarHBondContact O-CG 3.41Å; Q185-Q189 PolarHBondContact O-N 3.28Å; R186-Q189 PolarHBondContact O-N 2.92Å; Q189-Q192 CarbonylContact O-C 3.58Å; Q189-Q192 PolarHBondContact O-N 3.19Å; Q189-Q193 VanDerWaalsContact O-CB 3.22Å; Q189-Q193 WeakPolarHBondContact O-CB 3.41Å; Q189-Q193 WeakPolarHBondContact O-CG 3.26Å; Q189-Q193 PolarHBondContact O-N 2.84Å |
| 190 | Q | 74.1 | Confident | 66.2 | Low | 106 Ų | 106 | 113.7 Ų | 113.7 | 50% | 0.495 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 174.1 | -75.7 | 173 | 9.1 | 0 | 0 | 110.8 | R186 E187 Q193 Q194 | R186-Q190 WeakPolarHBondContact O-CB 3.35Å; R186-Q190 WeakPolarHBondContact O-CG 3.47Å; R186-Q190 PolarHBondContact O-N 2.81Å; E187-Q190 PolarHBondContact O-N 2.8Å; Q190-Q193 PolarHBondContact O-N 3.38Å; Q190-Q194 WeakPolarHBondContact O-CB 3.46Å; Q190-Q194 WeakPolarHBondContact O-CG 3.45Å; Q190-Q194 PolarHBondContact O-N 3.08Å |
| 191 | Q | 71.8 | Confident | 65.9 | Low | 123 Ų | 123 | 115.7 Ų | 115.7 | 58% | 0.575 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.3 | -35.8 | 173.7 | -75.2 | 178.6 | 9.5 | 0 | 0 | 111.9 | E187 I188 A195 | E187-Q191 VanDerWaalsContact O-CB 3.31Å; E187-Q191 WeakPolarHBondContact O-CB 3.2Å; E187-Q191 VanDerWaalsContact O-CG 3.24Å; E187-Q191 WeakPolarHBondContact O-CG 3.39Å; E187-Q191 PolarHBondContact O-N 2.86Å; I188-Q191 CarbonylContact O-C 3.53Å; I188-Q191 PolarHBondContact O-N 3.18Å; Q191-A195 WeakPolarHBondContact O-CA 3.47Å; Q191-A195 WeakPolarHBondContact O-CB 3.44Å; Q191-A195 PolarHBondContact O-N 2.74Å |
| 192 | Q | 70.9 | Confident | 65.5 | Low | 121 Ų | 121 | 114.1 Ų | 114.1 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.7 | -33.9 | 173.9 | -81.6 | -177.8 | -7.8 | 0 | 0 | 112 | I188 Q189 K196 | I188-Q192 HydrophobicContact CG2-CG 4.31Å; I188-Q192 VanDerWaalsContact O-CB 3.26Å; I188-Q192 WeakPolarHBondContact O-CB 3.47Å; I188-Q192 VanDerWaalsContact O-CG 3.31Å; I188-Q192 WeakPolarHBondContact O-CG 3.38Å; I188-Q192 PolarHBondContact O-N 3.05Å; Q189-Q192 CarbonylContact O-C 3.58Å; Q189-Q192 PolarHBondContact O-N 3.19Å; Q192-K196 WeakPolarHBondContact O-CB 3.39Å; Q192-K196 WeakPolarHBondContact O-CG 3.42Å; Q192-K196 PolarHBondContact O-N 3.1Å |
| 193 | Q | 70.1 | Confident | 65.4 | Low | 118 Ų | 118 | 115.5 Ų | 115.5 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74.8 | -40.2 | 175.1 | -75.2 | 163.3 | 5.2 | 0 | 0 | 110.9 | Q189 Q190 K196 S197 | Q189-Q193 VanDerWaalsContact O-CB 3.22Å; Q189-Q193 WeakPolarHBondContact O-CB 3.41Å; Q189-Q193 WeakPolarHBondContact O-CG 3.26Å; Q189-Q193 PolarHBondContact O-N 2.84Å; Q190-Q193 PolarHBondContact O-N 3.38Å; Q193-K196 PolarHBondContact O-N 2.89Å; Q193-S197 VanDerWaalsContact O-CB 3.32Å; Q193-S197 WeakPolarHBondContact O-CB 3.41Å; Q193-S197 PolarHBondContact O-N 3.03Å; Q193-S197 PolarHBondContact O-OG 2.86Å |
| 194 | Q | 67.1 | Low | 65.2 | Low | 127 Ų | 127 | 115.1 Ų | 115.1 | 59% | 0.593 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.8 | -36.2 | 171.4 | -75.8 | 176.6 | -11.2 | 0 | 0 | 111.2 | Q190 S197 R198 | Q190-Q194 WeakPolarHBondContact O-CB 3.46Å; Q190-Q194 WeakPolarHBondContact O-CG 3.45Å; Q190-Q194 PolarHBondContact O-N 3.08Å; Q194-S197 WeakPolarHBondContact CA-OG 3.04Å; Q194-S197 PolarHBondContact O-OG 2.86Å; Q194-R198 WeakPolarHBondContact O-CB 3.39Å; Q194-R198 PolarHBondContact O-N 2.98Å |
| 195 | A | 65.6 | Low | 65.3 | Low | 42 Ų | 42 | 115.7 Ų | 115.7 | 35% | 0.347 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.6 | -44.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q191 S197 R198 Y199 | Q191-A195 WeakPolarHBondContact O-CA 3.47Å; Q191-A195 WeakPolarHBondContact O-CB 3.44Å; Q191-A195 PolarHBondContact O-N 2.74Å; A195-S197 VanDerWaalsContact C-N 3.28Å; A195-S197 PolarHBondContact O-N 3.39Å; A195-R198 CarbonylContact O-C 3.59Å; A195-R198 PolarHBondContact O-N 3.02Å; A195-Y199 HydrophobicContact CB-CD2 4.38Å; A195-Y199 VanDerWaalsContact O-CA 3.29Å; A195-Y199 WeakPolarHBondContact O-CA 3.2Å; A195-Y199 WeakPolarHBondContact O-CB 3.4Å; A195-Y199 PolarHBondContact O-N 2.94Å |
| 196 | K | 58.8 | Low | 65.5 | Low | 174 Ų | 174 | 116 Ų | 116 | 76% | 0.757 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.7 | -36.4 | 174 | -89.6 | -176.4 | 173.4 | -177.3 | 0 | 112.6 | Q192 Q193 | Q192-K196 WeakPolarHBondContact O-CB 3.39Å; Q192-K196 WeakPolarHBondContact O-CG 3.42Å; Q192-K196 PolarHBondContact O-N 3.1Å; Q193-K196 PolarHBondContact O-N 2.89Å |
| 197 | S | 62.7 | Low | 65.6 | Low | 97 Ų | 97 | 113.2 Ų | 113.2 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -81 | -22.1 | 177.4 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | Q193 Q194 A195 | Q193-S197 VanDerWaalsContact O-CB 3.32Å; Q193-S197 WeakPolarHBondContact O-CB 3.41Å; Q193-S197 PolarHBondContact O-N 3.03Å; Q193-S197 PolarHBondContact O-OG 2.86Å; Q194-S197 WeakPolarHBondContact CA-OG 3.04Å; Q194-S197 PolarHBondContact O-OG 2.86Å; A195-S197 VanDerWaalsContact C-N 3.28Å; A195-S197 PolarHBondContact O-N 3.39Å |
| 198 | R | 53.1 | Low | 65.6 | Low | 205 Ų | 205 | 114.3 Ų | 114.3 | 77% | 0.774 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -98.6 | -16.1 | 177.5 | -157.4 | 177 | -159.7 | -129.1 | 3.7 | 113.9 | Q194 A195 | Q194-R198 WeakPolarHBondContact O-CB 3.39Å; Q194-R198 PolarHBondContact O-N 2.98Å; A195-R198 CarbonylContact O-C 3.59Å; A195-R198 PolarHBondContact O-N 3.02Å |
| 199 | Y | 56.2 | Low | 65.7 | Low | 143 Ų | 143 | 112.4 Ų | 112.4 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | trans | -128.1 | 59.5 | -179 | -67.5 | -96.5 | 0 | 0 | 0 | 109.1 | A195 V201 | A195-Y199 HydrophobicContact CB-CD2 4.38Å; A195-Y199 VanDerWaalsContact O-CA 3.29Å; A195-Y199 WeakPolarHBondContact O-CA 3.2Å; A195-Y199 WeakPolarHBondContact O-CB 3.4Å; A195-Y199 PolarHBondContact O-N 2.94Å; Y199-V201 HydrophobicContact CD1-CB 4.38Å; Y199-V201 HydrophobicContact CD1-CG1 3.44Å; Y199-V201 VanDerWaalsContact CD1-CG1 3.44Å; Y199-V201 HydrophobicContact CD1-CG2 4.08Å; Y199-V201 HydrophobicContact CE1-CG1 4.27Å; Y199-V201 HydrophobicContact CG-CG1 4.23Å; Y199-V201 PolarHBondContact O-N 3.35Å | ||
| 200 | E | 50.6 | Low | 65.8 | Low | 188 Ų | 188 | 113.8 Ų | 113.8 | 88% | 0.879 | 58% | 0.577 | S | S | * | * | trans | -64.7 | 54.7 | 136.7 | -156.7 | 168.9 | -151.5 | 0 | 0 | 107.8 | ||||
| 201 | V | 55.2 | Low | 66.2 | Low | 83 Ų | 83 | 119 Ų | 119 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -80 | 128.3 | 167.6 | -74.1 | 0 | 0 | 0 | 0 | 105.9 | Y199 D203 | Y199-V201 HydrophobicContact CD1-CB 4.38Å; Y199-V201 HydrophobicContact CD1-CG1 3.44Å; Y199-V201 VanDerWaalsContact CD1-CG1 3.44Å; Y199-V201 HydrophobicContact CD1-CG2 4.08Å; Y199-V201 HydrophobicContact CE1-CG1 4.27Å; Y199-V201 HydrophobicContact CG-CG1 4.23Å; Y199-V201 PolarHBondContact O-N 3.35Å; V201-D203 PolarHBondContact O-N 3.23Å |
| 202 | P | 57.3 | Low | 66.7 | Low | 75 Ų | 75 | 120 Ų | 120 | 49% | 0.487 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -46.8 | 138.8 | 177.1 | -25.2 | 32.7 | 0 | 0 | 0 | 109.6 | D206 | P202-D206 HydrophobicContact CB-CB 3.63Š|
| 203 | D | 66.2 | Low | 66.5 | Low | 111 Ų | 111 | 118.6 Ų | 118.6 | 59% | 0.594 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 146.8 | -173.4 | -171.8 | 28.8 | 0 | 0 | 0 | 110 | V201 S205 D206 L207 | V201-D203 PolarHBondContact O-N 3.23Å; D203-S205 WeakPolarHBondContact CB-OG 3.43Å; D203-S205 VanDerWaalsContact CG-OG 3.27Å; D203-S205 CarbonylContact O-C 3.58Å; D203-S205 PolarHBondContact O-N 3.44Å; D203-S205 PolarHBondContact OD2-OG 3.1Å; D203-D206 WeakPolarHBondContact O-CA 3.47Å; D203-D206 WeakPolarHBondContact O-CB 3.42Å; D203-D206 PolarHBondContact O-N 2.85Å; D203-L207 PolarHBondContact O-N 3.47Å |
| 204 | L | 65 | Low | 65.7 | Low | 127 Ų | 127 | 116 Ų | 116 | 67% | 0.665 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -53.1 | -23.5 | -175.2 | -86.6 | 144.9 | 0 | 0 | 0 | 112.8 | M208 | L204-M208 WeakPolarHBondContact O-CB 3.5Å; L204-M208 PolarHBondContact O-N 2.84Å |
| 205 | S | 68.7 | Low | 64.9 | Low | 65 Ų | 65 | 119 Ų | 119 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59.7 | -43.9 | 168.3 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | D203 A209 | D203-S205 WeakPolarHBondContact CB-OG 3.43Å; D203-S205 VanDerWaalsContact CG-OG 3.27Å; D203-S205 CarbonylContact O-C 3.58Å; D203-S205 PolarHBondContact O-N 3.44Å; D203-S205 PolarHBondContact OD2-OG 3.1Å; S205-A209 WeakPolarHBondContact O-CB 3.39Å; S205-A209 PolarHBondContact O-N 3.42Å |
| 206 | D | 71.7 | Confident | 63.9 | Low | 92 Ų | 92 | 128.6 Ų | 128.6 | 49% | 0.492 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -70 | -37 | 176.3 | -76.6 | -23.5 | 0 | 0 | 0 | 112.2 | P202 D203 A209 D210 | P202-D206 HydrophobicContact CB-CB 3.63Å; D203-D206 WeakPolarHBondContact O-CA 3.47Å; D203-D206 WeakPolarHBondContact O-CB 3.42Å; D203-D206 PolarHBondContact O-N 2.85Å; D206-A209 PolarHBondContact O-N 2.83Å; D206-D210 WeakPolarHBondContact O-CB 3.44Å; D206-D210 PolarHBondContact O-N 3.19Å |
| 207 | L | 74.5 | Confident | 63.2 | Low | 95 Ų | 95 | 130.1 Ų | 130.1 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70.6 | -40.1 | 175.4 | -70.8 | 175 | 0 | 0 | 0 | 112.2 | D203 A209 W211 | D203-L207 PolarHBondContact O-N 3.47Å; L207-A209 VanDerWaalsContact C-N 3.32Å; L207-W211 WeakPolarHBondContact O-CB 3.26Å; L207-W211 PolarHBondContact O-N 3.21Å |
| 208 | M | 72 | Confident | 62.1 | Low | 134 Ų | 134 | 131.3 Ų | 131.3 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65 | -38.8 | 169.9 | -77.9 | -165.2 | -168 | 0 | 0 | 111 | L204 W211 L212 | L204-M208 WeakPolarHBondContact O-CB 3.5Å; L204-M208 PolarHBondContact O-N 2.84Å; M208-W211 PolarHBondContact O-N 3.1Å; M208-L212 WeakPolarHBondContact O-CB 3.49Å; M208-L212 PolarHBondContact O-N 2.85Å |
| 209 | A | 74.3 | Confident | 61.2 | Low | 42 Ų | 42 | 131.3 Ų | 131.3 | 35% | 0.347 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -66.2 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S205 D206 L207 W211 L212 V213 | S205-A209 WeakPolarHBondContact O-CB 3.39Å; S205-A209 PolarHBondContact O-N 3.42Å; D206-A209 PolarHBondContact O-N 2.83Å; L207-A209 VanDerWaalsContact C-N 3.32Å; A209-W211 VanDerWaalsContact C-N 3.3Å; A209-W211 PolarHBondContact O-N 2.91Å; A209-L212 PolarHBondContact O-N 2.91Å; A209-V213 WeakPolarHBondContact O-CA 3.32Å; A209-V213 WeakPolarHBondContact O-CB 3.27Å; A209-V213 VanDerWaalsContact O-CG2 3.26Å; A209-V213 WeakPolarHBondContact O-CG2 3.29Å; A209-V213 PolarHBondContact O-N 2.8Å |
| 210 | D | 76.8 | Confident | 60.5 | Low | 122 Ų | 122 | 134.6 Ų | 134.6 | 65% | 0.652 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -66 | -34.5 | 177.2 | -113.7 | 7.9 | 0 | 0 | 0 | 111.7 | D206 G214 | D206-D210 WeakPolarHBondContact O-CB 3.44Å; D206-D210 PolarHBondContact O-N 3.19Å; D210-G214 PolarHBondContact O-N 3.44Å |
| 211 | W | 82.5 | Confident | 59.7 | Low | 216 Ų | 216 | 135.7 Ų | 135.7 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71 | -39.5 | 172.8 | -174.4 | 75.6 | 0 | 0 | 0 | 112.6 | L207 M208 A209 | L207-W211 WeakPolarHBondContact O-CB 3.26Å; L207-W211 PolarHBondContact O-N 3.21Å; M208-W211 PolarHBondContact O-N 3.1Å; A209-W211 VanDerWaalsContact C-N 3.3Å; A209-W211 PolarHBondContact O-N 2.91Å |
| 212 | L | 80.8 | Confident | 59.2 | Low | 143 Ų | 143 | 141.8 Ų | 141.8 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -75.9 | -29.5 | 178.6 | -154.3 | 85.4 | 0 | 0 | 0 | 112.6 | M208 A209 | M208-L212 WeakPolarHBondContact O-CB 3.49Å; M208-L212 PolarHBondContact O-N 2.85Å; A209-L212 PolarHBondContact O-N 2.91Å |
| 213 | V | 67.4 | Low | 58.6 | Low | 92 Ų | 92 | 147.2 Ų | 147.2 | 56% | 0.558 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -100.3 | -14.8 | -174.1 | 175.9 | 0 | 0 | 0 | 0 | 113.2 | A209 K215 | A209-V213 WeakPolarHBondContact O-CA 3.32Å; A209-V213 WeakPolarHBondContact O-CB 3.27Å; A209-V213 VanDerWaalsContact O-CG2 3.26Å; A209-V213 WeakPolarHBondContact O-CG2 3.29Å; A209-V213 PolarHBondContact O-N 2.8Å; V213-K215 PolarHBondContact O-N 2.84Å |
| 214 | G | 53.3 | Low | 58.2 | Low | 64 Ų | 64 | 149 Ų | 149 | 66% | 0.66 | 74% | 0.736 | S | S | * | * | trans | 45.5 | 61.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D210 | D210-G214 PolarHBondContact O-N 3.44Š| ||
| 215 | K | 49.3 | Very low | 57.9 | Low | 189 Ų | 189 | 150.2 Ų | 150.2 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -104.8 | 122.5 | -178.8 | -110.2 | 176.8 | -176.1 | 174.1 | 0 | 114.4 | V213 | V213-K215 PolarHBondContact O-N 2.84Š| ||
| 216 | R | 46.5 | Very low | 57.3 | Low | 244 Ų | 244 | 154.9 Ų | 154.9 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | -71.1 | 131.5 | -179.3 | -177.9 | 173.8 | 159.3 | 146.6 | -5.3 | 112 | S218 | R216-S218 PolarHBondContact O-N 3.15Š| ||
| 217 | K | 42.5 | Very low | 56.4 | Low | 206 Ų | 206 | 158.6 Ų | 158.6 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | trans | -38.2 | 128.4 | 172 | -64 | 179.2 | 178.3 | 178.4 | 0 | 113.3 | ||||
| 218 | S | 39.6 | Very low | 55.3 | Low | 122 Ų | 122 | 162.6 Ų | 162.6 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -118.1 | 113.2 | 157 | -172.3 | 0 | 0 | 0 | 0 | 110.2 | R216 | R216-S218 PolarHBondContact O-N 3.15Š| ||
| 219 | K | 35.7 | Very low | 54.2 | Low | 204 Ų | 204 | 164.5 Ų | 164.5 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -69.9 | 124 | 179.8 | -170.2 | 178.7 | -171 | 176 | 0 | 108.8 | ||||
| 220 | K | 39.8 | Very low | 52.8 | Low | 213 Ų | 213 | 173.2 Ų | 173.2 | 93% | 0.926 | 83% | 0.829 | S | S | * | * | trans | -126.2 | 119.3 | 163.5 | -139.6 | 176.5 | -173.8 | 179.8 | 0 | 111.8 | ||||
| 221 | R | 34.8 | Very low | 50.9 | Low | 211 Ų | 211 | 177.2 Ų | 177.2 | 80% | 0.796 | 84% | 0.843 | S | S | * | * | trans | -65 | 139.6 | -177.2 | 179 | -178.8 | 177.4 | 174.2 | -0.5 | 112 | ||||
| 222 | K | 45.1 | Very low | 48.3 | Very low | 210 Ų | 210 | 173.9 Ų | 173.9 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | trans | -138.7 | 93.2 | 152.7 | -79.3 | -169.6 | 178.1 | -178.8 | 0 | 108.5 | ||||
| 223 | T | 44.7 | Very low | 45.3 | Very low | 189 Ų | 189 | 176.7 Ų | 176.7 | 100% | 1.16 | 85% | 0.854 | S | S | * | * | trans | -122.8 | 0 | 139.3 | 34.6 | 0 | 0 | 0 | 0 | 106.1 |
Retrieved 223 of 223 residues in 416.9 ms
(Link to these results)