| 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 | 53 | Low | 66.5 | Low | 227 Ų | 227 | 139.2 Ų | 139.2 | 100% | 1.118 | 69% | 0.691 | S | S | * | * | 0 | 6.7 | 0 | -69.2 | 175.9 | 174.5 | 0 | 0 | 115.4 | |||||
| 2 | K | 55.3 | Low | 67.1 | Low | 181 Ų | 181 | 137.8 Ų | 137.8 | 79% | 0.787 | 69% | 0.687 | S | S | * | * | trans | -94.8 | -6.7 | 177.8 | -67.6 | -178.5 | 178.1 | 178.9 | 0 | 115.2 | ||||
| 3 | F | 57.7 | Low | 67.5 | Low | 173 Ų | 173 | 135.9 Ų | 135.9 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -93.4 | -25.5 | -179.1 | -77.5 | -85 | 0 | 0 | 0 | 113.5 | K6 L7 | F3-K6 PolarHBondContact O-N 2.64Å; F3-L7 WeakPolarHBondContact O-CB 3.43Å; F3-L7 PolarHBondContact O-N 3.47Å |
| 4 | L | 65.8 | Low | 67.8 | Low | 132 Ų | 132 | 129.1 Ų | 129.1 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -59.1 | -45 | 177.6 | -141.1 | 85.5 | 0 | 0 | 0 | 114 | K6 L7 L8 | L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 3.24Å; L4-L7 PolarHBondContact O-N 2.82Å; L4-L8 WeakPolarHBondContact O-CB 3.49Å; L4-L8 PolarHBondContact O-N 3.14Å |
| 5 | P | 68.1 | Low | 67.8 | Low | 78 Ų | 78 | 129.7 Ų | 129.7 | 51% | 0.506 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -70 | -29.4 | 179 | 25.9 | -33.6 | 0 | 0 | 0 | 112.6 | L9 | P5-L9 WeakPolarHBondContact O-CB 3.24Å; P5-L9 PolarHBondContact O-N 3.36Å |
| 6 | K | 68.8 | Low | 67.6 | Low | 150 Ų | 150 | 126 Ų | 126 | 65% | 0.652 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.9 | -38.6 | 175.7 | -68.2 | -175.8 | 176 | -174.4 | 0 | 111.9 | F3 L4 L9 L10 | F3-K6 PolarHBondContact O-N 2.64Å; L4-K6 VanDerWaalsContact C-N 3.31Å; L4-K6 PolarHBondContact O-N 3.24Å; K6-L9 PolarHBondContact O-N 2.64Å; K6-L10 WeakPolarHBondContact O-CB 3.36Å; K6-L10 PolarHBondContact O-N 3.16Å |
| 7 | L | 72 | Confident | 67.5 | Low | 118 Ų | 118 | 122.9 Ų | 122.9 | 62% | 0.618 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.4 | -41.2 | 173.9 | -165.9 | 89.7 | 0 | 0 | 0 | 111.2 | F3 L4 L10 L11 | F3-L7 WeakPolarHBondContact O-CB 3.43Å; F3-L7 PolarHBondContact O-N 3.47Å; L4-L7 PolarHBondContact O-N 2.82Å; L7-L10 PolarHBondContact O-N 2.91Å; L7-L11 WeakPolarHBondContact O-CB 3.01Å; L7-L11 PolarHBondContact O-N 3.29Å |
| 8 | L | 71.4 | Confident | 67.3 | Low | 113 Ų | 113 | 120.7 Ų | 120.7 | 59% | 0.592 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.5 | -37.8 | 178.5 | -169.5 | 134.8 | 0 | 0 | 0 | 112 | L4 L11 L12 | L4-L8 WeakPolarHBondContact O-CB 3.49Å; L4-L8 PolarHBondContact O-N 3.14Å; L8-L11 PolarHBondContact O-N 2.94Å; L8-L12 VanDerWaalsContact O-CB 3.28Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 3.2Å |
| 9 | L | 72.6 | Confident | 67.1 | Low | 113 Ų | 113 | 118.4 Ų | 118.4 | 59% | 0.592 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.2 | -39.2 | 175.2 | -155.4 | 157 | 0 | 0 | 0 | 111.5 | P5 K6 L12 L13 | P5-L9 WeakPolarHBondContact O-CB 3.24Å; P5-L9 PolarHBondContact O-N 3.36Å; K6-L9 PolarHBondContact O-N 2.64Å; L9-L12 PolarHBondContact O-N 3.15Å; L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 PolarHBondContact O-N 3.45Å |
| 10 | L | 73.1 | Confident | 66.6 | Low | 126 Ų | 126 | 119.4 Ų | 119.4 | 66% | 0.66 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67 | -38.7 | 175.9 | -153.3 | 157.3 | 0 | 0 | 0 | 111.4 | K6 L7 L13 A14 | K6-L10 WeakPolarHBondContact O-CB 3.36Å; K6-L10 PolarHBondContact O-N 3.16Å; L7-L10 PolarHBondContact O-N 2.91Å; L10-L13 PolarHBondContact O-N 2.89Å; L10-A14 VanDerWaalsContact O-CB 3.22Å; L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 2.89Å |
| 11 | L | 73.6 | Confident | 66.3 | Low | 120 Ų | 120 | 119.5 Ų | 119.5 | 63% | 0.628 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.8 | -37.5 | 175.8 | -169.9 | 138.1 | 0 | 0 | 0 | 112.4 | L7 L8 L13 F15 | L7-L11 WeakPolarHBondContact O-CB 3.01Å; L7-L11 PolarHBondContact O-N 3.29Å; L8-L11 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-F15 WeakPolarHBondContact O-CB 3.43Å; L11-F15 PolarHBondContact O-N 2.76Å |
| 12 | L | 74.3 | Confident | 66.1 | Low | 122 Ų | 122 | 117.6 Ų | 117.6 | 64% | 0.639 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.7 | -27.8 | 178.1 | -155.1 | 148.5 | 0 | 0 | 0 | 112.3 | L8 L9 P16 | L8-L12 VanDerWaalsContact O-CB 3.28Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 3.2Å; L9-L12 PolarHBondContact O-N 3.15Å; L12-P16 WeakPolarHBondContact O-CD 3.03Å |
| 13 | L | 71.8 | Confident | 65.7 | Low | 114 Ų | 114 | 116.6 Ų | 116.6 | 60% | 0.597 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -85.2 | -31.9 | 175.5 | -152 | 147.1 | 0 | 0 | 0 | 112.3 | L9 L10 L11 P16 V17 | L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 PolarHBondContact O-N 3.45Å; L10-L13 PolarHBondContact O-N 2.89Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L13-P16 WeakPolarHBondContact O-CD 3.44Å; L13-V17 WeakPolarHBondContact O-CG2 3.47Å |
| 14 | A | 71.6 | Confident | 64.9 | Low | 41 Ų | 41 | 112.6 Ų | 112.6 | 34% | 0.339 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -75.9 | -32.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L10 V17 T18 | L10-A14 VanDerWaalsContact O-CB 3.22Å; L10-A14 WeakPolarHBondContact O-CB 3.48Å; L10-A14 PolarHBondContact O-N 2.89Å; A14-V17 PolarHBondContact O-N 3.47Å; A14-T18 WeakPolarHBondContact O-CG2 3.36Å; A14-T18 PolarHBondContact O-N 2.86Å; A14-T18 PolarHBondContact O-OG1 2.78Å |
| 15 | F | 67.4 | Low | 63.5 | Low | 138 Ų | 138 | 111.5 Ų | 111.5 | 61% | 0.605 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -58.3 | -49.2 | -178 | -168.5 | -103.1 | 0 | 0 | 0 | 114.4 | L11 V17 T18 I19 | L11-F15 WeakPolarHBondContact O-CB 3.43Å; L11-F15 PolarHBondContact O-N 2.76Å; F15-V17 PolarHBondContact O-N 2.78Å; F15-T18 PolarHBondContact O-N 2.85Å; F15-T18 PolarHBondContact O-OG1 2.85Å; F15-I19 HydrophobicContact CD1-CD1 3.99Å; F15-I19 HydrophobicContact CE1-CD1 3.62Å; F15-I19 HydrophobicContact CZ-CD1 3.94Å; F15-I19 WeakPolarHBondContact O-CG1 3.25Å; F15-I19 PolarHBondContact O-N 3.32Å |
| 16 | P | 65.9 | Low | 62.2 | Low | 70 Ų | 70 | 114.4 Ų | 114.4 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68 | -34.5 | 177.6 | 26.4 | -34.2 | 0 | 0 | 0 | 112.5 | L12 L13 T18 I19 L20 | L12-P16 WeakPolarHBondContact O-CD 3.03Å; L13-P16 WeakPolarHBondContact O-CD 3.44Å; P16-T18 PolarHBondContact O-N 3.43Å; P16-I19 PolarHBondContact O-N 3.02Å; P16-L20 PolarHBondContact O-N 3.04Å; P16-L20 VanDerWaalsContact O-N 3.09Å |
| 17 | V | 65.6 | Low | 60.7 | Low | 73 Ų | 73 | 113.7 Ų | 113.7 | 44% | 0.442 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.7 | -38.5 | 179.6 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | L13 A14 F15 I19 L20 I21 | L13-V17 WeakPolarHBondContact O-CG2 3.47Å; A14-V17 PolarHBondContact O-N 3.47Å; F15-V17 PolarHBondContact O-N 2.78Å; V17-I19 VanDerWaalsContact C-N 3.31Å; V17-I19 PolarHBondContact O-N 2.79Å; V17-L20 PolarHBondContact O-N 2.85Å; V17-I21 HydrophobicContact CG1-CD1 3.76Å; V17-I21 WeakPolarHBondContact O-CD1 3.42Å; V17-I21 VanDerWaalsContact O-CG1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.37Å; V17-I21 PolarHBondContact O-N 3Å; V17-I21 VanDerWaalsContact O-N 3.16Å |
| 18 | T | 64.1 | Low | 59 | Low | 84 Ų | 84 | 112.5 Ų | 112.5 | 52% | 0.515 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.6 | -23 | 178 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | A14 F15 P16 | A14-T18 WeakPolarHBondContact O-CG2 3.36Å; A14-T18 PolarHBondContact O-N 2.86Å; A14-T18 PolarHBondContact O-OG1 2.78Å; F15-T18 PolarHBondContact O-N 2.85Å; F15-T18 PolarHBondContact O-OG1 2.85Å; P16-T18 PolarHBondContact O-N 3.43Å |
| 19 | I | 63.4 | Low | 57.2 | Low | 76 Ų | 76 | 111.8 Ų | 111.8 | 39% | 0.39 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -79.5 | -41.6 | 174.7 | -65 | 168.2 | 0 | 0 | 0 | 109.4 | F15 P16 V17 I21 K22 E23 | F15-I19 HydrophobicContact CD1-CD1 3.99Å; F15-I19 HydrophobicContact CE1-CD1 3.62Å; F15-I19 HydrophobicContact CZ-CD1 3.94Å; F15-I19 WeakPolarHBondContact O-CG1 3.25Å; F15-I19 PolarHBondContact O-N 3.32Å; P16-I19 PolarHBondContact O-N 3.02Å; V17-I19 VanDerWaalsContact C-N 3.31Å; V17-I19 PolarHBondContact O-N 2.79Å; I19-I21 VanDerWaalsContact C-N 3.32Å; I19-I21 PolarHBondContact O-N 3.05Å; I19-K22 PolarHBondContact O-N 2.91Å; I19-K22 VanDerWaalsContact O-N 3.17Å; I19-E23 PolarHBondContact O-N 2.89Å |
| 20 | L | 57.2 | Low | 55.3 | Low | 139 Ų | 139 | 115 Ų | 115 | 73% | 0.728 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.4 | -36.1 | 177 | -136.1 | 95.4 | 0 | 0 | 0 | 113.4 | P16 V17 | P16-L20 PolarHBondContact O-N 3.04Å; P16-L20 VanDerWaalsContact O-N 3.09Å; V17-L20 PolarHBondContact O-N 2.85Å |
| 21 | I | 59.2 | Low | 53.4 | Low | 122 Ų | 122 | 115.6 Ų | 115.6 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77 | -23.3 | -180 | -64.5 | 165.5 | 0 | 0 | 0 | 111.8 | V17 I19 | V17-I21 HydrophobicContact CG1-CD1 3.76Å; V17-I21 WeakPolarHBondContact O-CD1 3.42Å; V17-I21 VanDerWaalsContact O-CG1 3.27Å; V17-I21 WeakPolarHBondContact O-CG1 3.37Å; V17-I21 PolarHBondContact O-N 3Å; V17-I21 VanDerWaalsContact O-N 3.16Å; I19-I21 VanDerWaalsContact C-N 3.32Å; I19-I21 PolarHBondContact O-N 3.05Å |
| 22 | K | 50.3 | Low | 51.4 | Low | 187 Ų | 187 | 117.5 Ų | 117.5 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84.8 | -17.8 | -176.3 | -155 | 175.9 | -179.1 | -175.8 | 0 | 113.3 | I19 | I19-K22 PolarHBondContact O-N 2.91Å; I19-K22 VanDerWaalsContact O-N 3.17Å |
| 23 | E | 44.9 | Very low | 49.5 | Very low | 160 Ų | 160 | 115.9 Ų | 115.9 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -100.2 | 1.6 | 178.4 | -69.5 | 179.4 | 176.1 | 0 | 0 | 113.5 | I19 P25 | I19-E23 PolarHBondContact O-N 2.89Å; E23-P25 WeakPolarHBondContact O-CD 3.39Å |
| 24 | C | 41.7 | Very low | 47.7 | Very low | 88 Ų | 88 | 118.4 Ų | 118.4 | 60% | 0.595 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -97.7 | 111.5 | 176.8 | -143.6 | 0 | 0 | 0 | 0 | 110.2 | V26 | C24-V26 PolarHBondContact O-N 2.83Š|
| 25 | P | 37.5 | Very low | 45.9 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 71% | 0.714 | 68% | 0.676 | S | S | * | * | trans | -69.8 | 115.9 | 169.9 | 28.2 | -28.5 | 0 | 0 | 0 | 108 | E23 V27 | E23-P25 WeakPolarHBondContact O-CD 3.39Å; P25-V27 PolarHBondContact O-N 3.45Å | ||
| 26 | V | 39.7 | Very low | 44.4 | Very low | 139 Ų | 139 | 123.8 Ų | 123.8 | 84% | 0.842 | 68% | 0.683 | S | S | * | * | trans | -59.7 | 105.1 | 176.3 | 176.1 | 0 | 0 | 0 | 0 | 109 | C24 S28 | C24-V26 PolarHBondContact O-N 2.83Å; V26-S28 PolarHBondContact O-N 2.97Å | ||
| 27 | V | 37.2 | Very low | 43 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -77.9 | 102.8 | 165.1 | 179.2 | 0 | 0 | 0 | 0 | 107 | P25 A29 | P25-V27 PolarHBondContact O-N 3.45Å; V27-A29 PolarHBondContact O-N 2.77Å | ||
| 28 | S | 36.7 | Very low | 41.4 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | trans | -75.1 | 102 | 169.8 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | V26 Q30 | V26-S28 PolarHBondContact O-N 2.97Å; S28-Q30 PolarHBondContact O-N 2.88Å | ||
| 29 | A | 33.7 | Very low | 39.9 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 81% | 0.81 | 73% | 0.725 | S | S | * | * | trans | -74.4 | 108.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | V27 | V27-A29 PolarHBondContact O-N 2.77Š| ||
| 30 | Q | 32.1 | Very low | 38.4 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -85.3 | 117.9 | 165.8 | -85.8 | 177.8 | -31.1 | 0 | 0 | 109.1 | S28 | S28-Q30 PolarHBondContact O-N 2.88Š| ||
| 31 | D | 34.2 | Very low | 37.2 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | -16.2 | 125.7 | 150.1 | -171.5 | 22.1 | 0 | 0 | 0 | 116.8 | ||||
| 32 | L | 31.1 | Very low | 35.9 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -156.2 | 89.9 | 147.7 | -84.9 | -178.1 | 0 | 0 | 0 | 109.3 | ||||
| 33 | T | 33.8 | Very low | 35.3 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 53% | 0.534 | 74% | 0.744 | S | S | . | * | 41 | 139 | 124.9 | 59.3 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 34 | E | 34.7 | Very low | 34.6 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | 79.4 | 131.2 | 153.1 | -66.5 | 163.5 | -166 | 0 | 0 | 116.1 | ||||
| 35 | D | 32.5 | Very low | 34.3 | Very low | 134 Ų | 134 | 135 Ų | 135 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | cis | -162.5 | 150.5 | 5.6 | -98 | -29.4 | 0 | 0 | 0 | 110.3 | ||||
| 36 | E | 36.9 | Very low | 34.2 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 35.1 | 130.2 | 144.9 | -74.6 | -170.5 | 154.1 | 0 | 0 | 124.8 | ||||
| 37 | E | 36.1 | Very low | 33.8 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 68.7 | 139.9 | 131.4 | -70 | -154.9 | 167.1 | 0 | 0 | 119.5 | ||||
| 38 | A | 32 | Very low | 33.5 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 63% | 0.628 | 76% | 0.762 | S | S | * | * | cis | -163.2 | 154.2 | 10.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 39 | E | 33.2 | Very low | 33.3 | Very low | 182 Ų | 182 | 138 Ų | 138 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | 62.5 | 114.3 | 141.5 | -73.3 | -164.8 | 162.2 | 0 | 0 | 120.7 | ||||
| 40 | A | 31.9 | Very low | 33 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | 85.8 | 133.3 | 80.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 41 | V | 31.4 | Very low | 33.4 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | cis | -169.7 | 149.2 | 28.9 | 140.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 42 | D | 31.4 | Very low | 33.4 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 35.6 | 125.3 | 148.9 | -59.8 | -25.2 | 0 | 0 | 0 | 121.2 | ||||
| 43 | E | 38.4 | Very low | 33.6 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | 65 | 101.3 | 73.1 | -141.5 | -175.7 | -145.4 | 0 | 0 | 111.8 | |||||
| 44 | D | 31.2 | Very low | 33.6 | Very low | 161 Ų | 161 | 144 Ų | 144 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -166.9 | 126 | 130.5 | -99.1 | -28.8 | 0 | 0 | 0 | 111.8 | ||||
| 45 | V | 35.8 | Very low | 33.6 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -94.7 | 126.3 | 172.2 | 168.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 46 | V | 34.2 | Very low | 33.7 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -147.9 | 127.8 | 145.7 | -79.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 47 | D | 32.4 | Very low | 33.8 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -86 | 138 | 174.3 | -171.4 | 23.4 | 0 | 0 | 0 | 108.7 | ||||
| 48 | D | 29.6 | Very low | 33.7 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | -173.5 | 105.6 | 139.3 | -145.7 | 26.4 | 0 | 0 | 0 | 112.8 | ||||
| 49 | V | 32.3 | Very low | 34 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 60% | 0.6 | 81% | 0.814 | S | S | * | * | 43.9 | 118.8 | 123.7 | -161.7 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 50 | T | 29.1 | Very low | 34.3 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | 168.7 | 129.2 | 111.7 | 30.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 51 | A | 39.1 | Very low | 34.5 | Very low | 98 Ų | 98 | 150 Ų | 150 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -95.8 | 129.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 52 | E | 35.3 | Very low | 34.6 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -141.6 | 132.3 | 149.1 | -71.9 | -151.6 | 168.1 | 0 | 0 | 108.7 | ||||
| 53 | D | 33.8 | Very low | 34.6 | Very low | 161 Ų | 161 | 152.6 Ų | 152.6 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | trans | -66 | 152 | 176.5 | -63 | -59.9 | 0 | 0 | 0 | 111.7 | ||||
| 54 | E | 34.8 | Very low | 34.5 | Very low | 198 Ų | 198 | 153.6 Ų | 153.6 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -163.1 | 118.2 | 138.2 | -109.2 | 171.3 | -166.8 | 0 | 0 | 109.9 | ||||
| 55 | D | 34.9 | Very low | 34.6 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | -60.6 | 139.3 | 166.3 | -77.6 | -44.8 | 0 | 0 | 0 | 110.3 | ||||
| 56 | D | 33.5 | Very low | 34.6 | Very low | 169 Ų | 169 | 152 Ų | 152 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | trans | -148.8 | 124.2 | 147.4 | -129.2 | -9.6 | 0 | 0 | 0 | 111.2 | ||||
| 57 | E | 39 | Very low | 34.7 | Very low | 179 Ų | 179 | 153.1 Ų | 153.1 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -73.2 | 138.8 | 179.6 | -64.4 | -142.6 | 166.9 | 0 | 0 | 111.8 | ||||
| 58 | A | 35.2 | Very low | 35 | Very low | 91 Ų | 91 | 153.4 Ų | 153.4 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -149.2 | 101.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 59 | E | 37.8 | Very low | 35.2 | Very low | 186 Ų | 186 | 152 Ų | 152 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | -54.6 | 128.6 | 157.4 | -73.3 | -178.5 | 147.9 | 0 | 0 | 110.2 | ||||
| 60 | V | 38.9 | Very low | 35.6 | Very low | 140 Ų | 140 | 156.5 Ų | 156.5 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | trans | -136.9 | 102.5 | 152.4 | -72.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 61 | E | 36 | Very low | 36.2 | Very low | 179 Ų | 179 | 158.4 Ų | 158.4 | 84% | 0.836 | 83% | 0.833 | S | S | * | * | trans | -74.9 | 133.1 | 154.7 | -67.1 | -167.7 | 154.7 | 0 | 0 | 108 | ||||
| 62 | D | 33.4 | Very low | 36.5 | Very low | 154 Ų | 154 | 162.9 Ų | 162.9 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | 175.1 | 97.3 | 131.3 | -86.3 | -24.3 | 0 | 0 | 0 | 110.5 | ||||
| 63 | D | 32.9 | Very low | 36.8 | Very low | 155 Ų | 155 | 160.3 Ų | 160.3 | 83% | 0.829 | 83% | 0.826 | S | S | * | * | 35.9 | 100.6 | 122.9 | -130.6 | 2.1 | 0 | 0 | 0 | 119.5 | |||||
| 64 | E | 35 | Very low | 37 | Very low | 192 Ų | 192 | 161.3 Ų | 161.3 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | -139.6 | 102.3 | 148.2 | -93.5 | -169.4 | 172 | 0 | 0 | 111.6 | T66 | E64-T66 PolarHBondContact O-N 3.3Š| ||
| 65 | N | 34.3 | Very low | 37.3 | Very low | 132 Ų | 132 | 160.6 Ų | 160.6 | 71% | 0.706 | 82% | 0.823 | S | S | * | * | trans | -22.7 | 111.4 | 157.7 | -177.9 | 9.2 | 0 | 0 | 0 | 115.6 | E67 | N65-E67 PolarHBondContact OD1-N 2.81Š| ||
| 66 | T | 35 | Very low | 37.8 | Very low | 124 Ų | 124 | 161.3 Ų | 161.3 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | trans | -128.2 | 87.4 | 156.5 | 31.1 | 0 | 0 | 0 | 0 | 110 | E64 L68 | E64-T66 PolarHBondContact O-N 3.3Å; T66-L68 VanDerWaalsContact C-N 3.35Å; T66-L68 PolarHBondContact O-N 2.82Å | ||
| 67 | E | 36.8 | Very low | 38.2 | Very low | 168 Ų | 168 | 161.1 Ų | 161.1 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -51 | 91.7 | 159.6 | -172.3 | 176.1 | -176.2 | 0 | 0 | 110.1 | N65 T69 | N65-E67 PolarHBondContact OD1-N 2.81Å; E67-T69 PolarHBondContact O-N 2.83Å | ||
| 68 | L | 38.1 | Very low | 38.2 | Very low | 154 Ų | 154 | 156.5 Ų | 156.5 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -81.6 | 107.4 | 166.6 | -84.3 | 160.8 | 0 | 0 | 0 | 107.7 | T66 E70 | T66-L68 VanDerWaalsContact C-N 3.35Å; T66-L68 PolarHBondContact O-N 2.82Å; L68-E70 PolarHBondContact O-N 3.21Å | ||
| 69 | T | 34.9 | Very low | 38.6 | Very low | 118 Ų | 118 | 159.4 Ų | 159.4 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | -53.2 | 97.4 | 168.7 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | E67 E71 | E67-T69 PolarHBondContact O-N 2.83Å; T69-E71 PolarHBondContact O-N 3.19Å; T69-E71 VanDerWaalsContact O-N 3.12Å | ||
| 70 | E | 40.1 | Very low | 39 | Very low | 192 Ų | 192 | 156.6 Ų | 156.6 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -74.5 | 73.9 | 156.9 | -71.5 | -177 | 164.5 | 0 | 0 | 108.4 | L68 | L68-E70 PolarHBondContact O-N 3.21Š| ||
| 71 | E | 42 | Very low | 39.4 | Very low | 177 Ų | 177 | 152.4 Ų | 152.4 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -135 | 66 | 169.7 | -70.6 | -167.4 | -179.5 | 0 | 0 | 108.9 | T69 | T69-E71 PolarHBondContact O-N 3.19Å; T69-E71 VanDerWaalsContact O-N 3.12Å | ||
| 72 | K | 43.9 | Very low | 40.6 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -160.3 | 25.7 | 161.3 | -136.4 | -172.9 | 169.5 | -174.5 | 0 | 117.7 | ||
| 73 | D | 41.8 | Very low | 42.8 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -119.4 | -0.5 | 173.6 | -71.1 | -27.7 | 0 | 0 | 0 | 113.6 | ||
| 74 | E | 39.2 | Very low | 45.4 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -87.9 | -9.9 | -176.9 | -65.5 | -169.7 | 160.2 | 0 | 0 | 114.7 | ||
| 75 | E | 40.4 | Very low | 48.2 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -91 | -13.3 | -179.6 | -72.2 | -171.3 | 165.8 | 0 | 0 | 114.4 | ||
| 76 | E | 45.3 | Very low | 51 | Low | 178 Ų | 178 | 132.5 Ų | 132.5 | 83% | 0.832 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -89.5 | -18.1 | 174.8 | -71.8 | -165.9 | 167.4 | 0 | 0 | 113.5 | A78 | E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.45Å |
| 77 | E | 42.8 | Very low | 53.7 | Low | 164 Ų | 164 | 132.1 Ų | 132.1 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -81.7 | -8.5 | 179.1 | -65.5 | -128.9 | 150.8 | 0 | 0 | 113.8 | L79 | E77-L79 PolarHBondContact O-N 2.88Š|
| 78 | A | 38 | Very low | 56.4 | Low | 82 Ų | 82 | 127.8 Ų | 127.8 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -88 | 0.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E76 | E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.45Å |
| 79 | L | 44.1 | Very low | 59.1 | Low | 152 Ų | 152 | 120.9 Ų | 120.9 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -110.6 | 14.6 | 178.4 | -68.3 | 177.4 | 0 | 0 | 0 | 114.3 | E77 G81 | E77-L79 PolarHBondContact O-N 2.88Å; L79-G81 PolarHBondContact O-N 3.18Å |
| 80 | V | 46.3 | Very low | 62 | Low | 128 Ų | 128 | 118.7 Ų | 118.7 | 78% | 0.776 | 62% | 0.623 | S | S | * | * | trans | -81.7 | 46.3 | 170.5 | -159.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 81 | G | 47.8 | Very low | 64.7 | Low | 51 Ų | 51 | 111.2 Ų | 111.2 | 53% | 0.526 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -68.4 | 126.9 | 153.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | L79 V83 | L79-G81 PolarHBondContact O-N 3.18Å; G81-V83 VanDerWaalsContact C-N 3.31Å; G81-V83 VanDerWaalsContact O-CG2 3.26Å; G81-V83 WeakPolarHBondContact O-CG2 3.43Å; G81-V83 PolarHBondContact O-N 2.91Å |
| 82 | E | 60.4 | Low | 67.2 | Low | 153 Ų | 153 | 107.2 Ų | 107.2 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | trans | -49.6 | 96.6 | 176.7 | -72.3 | -176.3 | 150.6 | 0 | 0 | 109.9 | K84 | E82-K84 PolarHBondContact O-N 3.2Å; E82-K84 WeakPolarHBondContact OE2-CE 3.34Å; E82-K84 IonicContact OE2-NZ 2.57Å; E82-K84 PolarHBondContact OE2-NZ 2.92Å | ||
| 83 | V | 79.5 | Confident | 69.7 | Low | 57 Ų | 57 | 99.8 Ų | 99.8 | 35% | 0.345 | 55% | 0.547 | S | S | . | . | trans | -72.9 | 107.8 | 179.3 | -169.2 | 0 | 0 | 0 | 0 | 105.5 | G81 V190 Q192 | G81-V83 VanDerWaalsContact C-N 3.31Å; G81-V83 VanDerWaalsContact O-CG2 3.26Å; G81-V83 WeakPolarHBondContact O-CG2 3.43Å; G81-V83 PolarHBondContact O-N 2.91Å; V83-V190 HydrophobicContact CG1-CG1 4.32Å; V83-V190 WeakPolarHBondContact CG1-O 3.14Å; V83-Q192 HydrophobicContact CB-CB 3.87Å; V83-Q192 HydrophobicContact CG1-CB 3.67Å; V83-Q192 VanDerWaalsContact CG1-N 3.33Å | ||
| 84 | K | 88.4 | Confident | 72.3 | Confident | 134 Ų | 134 | 98.4 Ų | 98.4 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -95.7 | 160.2 | -176 | -75.8 | 173.9 | -178.2 | 165.5 | 0 | 110.7 | E82 F191 Q192 | E82-K84 PolarHBondContact O-N 3.2Å; E82-K84 WeakPolarHBondContact OE2-CE 3.34Å; E82-K84 IonicContact OE2-NZ 2.57Å; E82-K84 PolarHBondContact OE2-NZ 2.92Å; K84-F191 WeakPolarHBondContact O-CD1 3.49Å; K84-Q192 CarbonylContact C-O 3.53Å; K84-Q192 PolarHBondContact O-N 3.02Å |
| 85 | A | 92.9 | Very high | 75 | Confident | 43 Ų | 43 | 90.9 Ų | 90.9 | 36% | 0.355 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 141.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q192 D193 | A85-Q192 WeakPolarHBondContact CA-O 3.19Å; A85-Q192 PolarHBondContact N-O 3Å; A85-D193 HydrophobicContact CB-CB 3.81Å |
| 86 | S | 92.8 | Very high | 77.4 | Confident | 7 Ų | 7 | 86.1 Ų | 86.1 | 5% | 0.049 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -69 | 136.1 | 172.6 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | N88 A89 Y183 | S86-N88 PolarHBondContact O-N 2.88Å; S86-N88 VanDerWaalsContact O-N 3.09Å; S86-N88 PolarHBondContact OG-N 3.27Å; S86-A89 PolarHBondContact O-N 2.98Å; S86-Y183 PolarHBondContact N-OH 2.93Å |
| 87 | P | 92.8 | Very high | 79.5 | Confident | 117 Ų | 117 | 84.3 Ų | 84.3 | 76% | 0.76 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11.7 | 174.8 | 28.7 | -36 | 0 | 0 | 0 | 113.3 | ||
| 88 | N | 93.8 | Very high | 81.7 | Confident | 77 Ų | 77 | 78.2 Ų | 78.2 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 5.6 | -178.4 | -65.2 | -34.6 | 0 | 0 | 0 | 113.1 | S86 K116 G117 F121 | S86-N88 PolarHBondContact O-N 2.88Å; S86-N88 VanDerWaalsContact O-N 3.09Å; S86-N88 PolarHBondContact OG-N 3.27Å; N88-K116 WeakPolarHBondContact O-CA 3.42Å; N88-K116 WeakPolarHBondContact O-CB 3.1Å; N88-K116 PolarHBondContact O-N 2.97Å; N88-G117 PolarHBondContact O-N 2.65Å; N88-F121 HydrophobicContact CB-CE2 4.2Å; N88-F121 HydrophobicContact CB-CZ 4.15Å |
| 89 | A | 94.7 | Very high | 84 | Confident | 9 Ų | 9 | 82.1 Ų | 82.1 | 7% | 0.074 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.7 | 177 | 0 | 0 | 0 | 0 | 0 | 109.6 | S86 F113 F121 Y183 | S86-A89 PolarHBondContact O-N 2.98Å; A89-F113 HydrophobicContact CB-CE2 3.69Å; A89-F113 HydrophobicContact CB-CZ 3.79Å; A89-F121 HydrophobicContact CB-CE2 4.36Å; A89-Y183 HydrophobicContact CB-CE2 3.85Å |
| 90 | D | 95.6 | Very high | 86.1 | Confident | 71 Ų | 71 | 80.4 Ų | 80.4 | 38% | 0.38 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.8 | 171.5 | -95.2 | 42.3 | 0 | 0 | 0 | 108.9 | T114 K116 | D90-T114 PolarHBondContact N-O 3.37Å; D90-T114 PolarHBondContact O-N 3.09Å; D90-K116 VanDerWaalsContact OD1-CE 3.26Å; D90-K116 WeakPolarHBondContact OD1-CE 3.26Å; D90-K116 IonicContact OD1-NZ 2.81Å; D90-K116 PolarHBondContact OD1-NZ 2.91Å; D90-K116 WeakPolarHBondContact OD2-CE 3.11Å; D90-K116 IonicContact OD2-NZ 3.67Å; D90-K116 PolarHBondContact OD2-NZ 2.77Å |
| 91 | T | 95.9 | Very high | 88.3 | Confident | 36 Ų | 36 | 74.5 Ų | 74.5 | 22% | 0.221 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 151.1 | 173.2 | 62.1 | 0 | 0 | 0 | 0 | 110.9 | G112 F113 L181 D193 V195 | T91-G112 CarbonylContact C-O 3.59Å; T91-G112 VanDerWaalsContact CA-O 3.29Å; T91-G112 WeakPolarHBondContact CA-O 3.38Å; T91-F113 HydrophobicContact CG2-CD2 3.97Å; T91-L181 HydrophobicContact CG2-CD2 3.96Å; T91-D193 WeakPolarHBondContact CB-OD2 3.22Å; T91-D193 HydrophobicContact CG2-CB 4.36Å; T91-D193 WeakPolarHBondContact CG2-OD2 3.28Å; T91-D193 PolarHBondContact OG1-OD2 2.75Å; T91-V195 HydrophobicContact CG2-CG2 3.9Å |
| 92 | T | 95.3 | Very high | 90.5 | Very high | 93 Ų | 93 | 73.6 Ų | 73.6 | 57% | 0.571 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.7 | 173.2 | -161.2 | 0 | 0 | 0 | 0 | 109.3 | L111 G112 | T92-L111 CarbonylContact O-C 3.56Å; T92-L111 WeakPolarHBondContact O-CA 3.37Å; T92-G112 PolarHBondContact N-O 2.56Å; T92-G112 PolarHBondContact O-N 2.87Å |
| 93 | I | 95.8 | Very high | 92 | Very high | 36 Ų | 36 | 66.6 Ų | 66.6 | 19% | 0.185 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141.9 | 179.9 | -169.4 | 171.8 | 0 | 0 | 0 | 110.7 | F95 F109 L110 I179 V195 F196 | I93-F95 HydrophobicContact CD1-CE2 4.24Å; I93-F95 HydrophobicContact CD1-CZ 3.96Å; I93-F109 HydrophobicContact CD1-CB 4.4Å; I93-F109 HydrophobicContact CD1-CD2 3.76Å; I93-F109 HydrophobicContact CD1-CE2 4.1Å; I93-F109 HydrophobicContact CD1-CG 4.04Å; I93-F109 HydrophobicContact CG1-CB 4.23Å; I93-F109 HydrophobicContact CG1-CD2 3.91Å; I93-F109 HydrophobicContact CG1-CG 4.27Å; I93-L110 CarbonylContact C-O 3.56Å; I93-L110 WeakPolarHBondContact CA-O 3.48Å; I93-I179 HydrophobicContact CD1-CD1 3.48Å; I93-I179 VanDerWaalsContact CD1-CD1 3.48Å; I93-V195 HydrophobicContact CB-CG1 3.9Å; I93-V195 HydrophobicContact CG2-CG1 4.24Å; I93-F196 HydrophobicContact CD1-CB 3.99Å; I93-F196 HydrophobicContact CD1-CG 4.47Å; I93-F196 HydrophobicContact CG2-CD2 4.16Å |
| 94 | L | 95.9 | Very high | 92.6 | Very high | 113 Ų | 113 | 68.7 Ų | 68.7 | 59% | 0.592 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 118.3 | 175.9 | -179.8 | 71.5 | 0 | 0 | 0 | 110.2 | F109 L110 | L94-F109 CarbonylContact O-C 3.54Å; L94-F109 VanDerWaalsContact O-CA 3.23Å; L94-F109 WeakPolarHBondContact O-CA 3.13Å; L94-F109 WeakPolarHBondContact O-CB 3.42Å; L94-L110 PolarHBondContact N-O 2.99Å; L94-L110 PolarHBondContact O-N 2.96Å |
| 95 | F | 95.7 | Very high | 92.8 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 127.3 | 171.7 | -66.2 | -82 | 0 | 0 | 0 | 110.9 | I93 K97 G98 F101 V107 F109 L177 I179 F196 | I93-F95 HydrophobicContact CD1-CE2 4.24Å; I93-F95 HydrophobicContact CD1-CZ 3.96Å; F95-K97 PolarHBondContact O-N 3.12Å; F95-G98 WeakPolarHBondContact CB-O 3.38Å; F95-F101 AromaticContact CD1-CE1 3.9Å; F95-F101 HydrophobicContact CD1-CE1 3.9Å; F95-F101 AromaticContact CD1-CZ 3.98Å; F95-F101 HydrophobicContact CD1-CZ 3.98Å; F95-F101 HydrophobicContact CD2-CZ 4.48Å; F95-F101 AromaticContact CE1-CE1 3.55Å; F95-F101 HydrophobicContact CE1-CE1 3.55Å; F95-F101 AromaticContact CE1-CZ 3.67Å; F95-F101 HydrophobicContact CE1-CZ 3.67Å; F95-F101 HydrophobicContact CE2-CZ 4.19Å; F95-F101 HydrophobicContact CG-CZ 4.4Å; F95-F101 HydrophobicContact CZ-CE1 4.09Å; F95-F101 AromaticContact CZ-CZ 3.78Å; F95-F101 HydrophobicContact CZ-CZ 3.78Å; F95-V107 HydrophobicContact CD1-CG1 4.32Å; F95-F109 HydrophobicContact CD1-CB 3.68Å; F95-F109 HydrophobicContact CD1-CD1 4.35Å; F95-F109 HydrophobicContact CD1-CG 4.42Å; F95-F109 HydrophobicContact CE1-CB 3.96Å; F95-F109 AromaticContact CE1-CD1 3.93Å; F95-F109 HydrophobicContact CE1-CD1 3.93Å; F95-F109 HydrophobicContact CE1-CG 4.23Å; F95-F109 HydrophobicContact CG-CB 4.26Å; F95-L177 HydrophobicContact CE1-CD2 4.32Å; F95-L177 HydrophobicContact CZ-CD2 4.09Å; F95-I179 HydrophobicContact CE1-CD1 4.5Å; F95-I179 HydrophobicContact CZ-CD1 4.24Å; F95-F196 HydrophobicContact CE2-CD2 4.01Å; F95-F196 AromaticContact CE2-CE2 3.75Å; F95-F196 HydrophobicContact CE2-CE2 3.75Å; F95-F196 HydrophobicContact CE2-CZ 4.06Å; F95-F196 HydrophobicContact CZ-CD1 4.42Å; F95-F196 HydrophobicContact CZ-CD2 4.3Å; F95-F196 HydrophobicContact CZ-CE1 4.37Å; F95-F196 HydrophobicContact CZ-CE2 4.25Å; F95-F196 HydrophobicContact CZ-CG 4.38Å; F95-F196 HydrophobicContact CZ-CZ 4.27Å |
| 96 | V | 92.8 | Very high | 92.8 | Very high | 82 Ų | 82 | 66.3 Ų | 66.3 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -35.1 | -170.9 | 179.2 | 0 | 0 | 0 | 0 | 112.2 | K108 L110 | V96-K108 HydrophobicContact CB-CB 4.2Å; V96-K108 HydrophobicContact CG2-CB 4.08Å; V96-K108 PolarHBondContact N-O 3.41Å; V96-L110 HydrophobicContact CG2-CG 4.19Å |
| 97 | K | 88.8 | Confident | 92.9 | Very high | 140 Ų | 140 | 66.4 Ų | 66.4 | 61% | 0.609 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 11.8 | -177.6 | -68.1 | -177.4 | 179.3 | 169.5 | 0 | 113.4 | F95 I106 | F95-K97 PolarHBondContact O-N 3.12Å; K97-I106 PolarHBondContact NZ-O 3.45Å |
| 98 | G | 87.9 | Confident | 93 | Very high | 36 Ų | 36 | 64.3 Ų | 64.3 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | trans | 88.8 | -165.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F95 D100 | F95-G98 WeakPolarHBondContact CB-O 3.38Å; G98-D100 VanDerWaalsContact C-N 3.32Å | ||
| 99 | E | 86.3 | Confident | 93.1 | Very high | 165 Ų | 165 | 60.7 Ų | 60.7 | 77% | 0.771 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -93.5 | 12.6 | -174.9 | -62.5 | 179.5 | 179.2 | 0 | 0 | 113.2 | F101 | E99-F101 WeakPolarHBondContact O-CD2 3.45Å; E99-F101 WeakPolarHBondContact O-CE2 3.12Å |
| 100 | D | 88.9 | Confident | 93.2 | Very high | 116 Ų | 116 | 63 Ų | 63 | 62% | 0.62 | 34% | 0.337 | S | S | * | . | trans | -89.2 | 126.2 | 173.8 | -65.5 | -39.4 | 0 | 0 | 0 | 110 | G98 P102 | G98-D100 VanDerWaalsContact C-N 3.32Å; D100-P102 WeakPolarHBondContact O-CD 3.5Å | ||
| 101 | F | 93.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 83.8 | -177.3 | -62.9 | -90.9 | 0 | 0 | 0 | 110.4 | F95 E99 V107 F164 L177 V200 I202 T203 | F95-F101 AromaticContact CD1-CE1 3.9Å; F95-F101 HydrophobicContact CD1-CE1 3.9Å; F95-F101 AromaticContact CD1-CZ 3.98Å; F95-F101 HydrophobicContact CD1-CZ 3.98Å; F95-F101 HydrophobicContact CD2-CZ 4.48Å; F95-F101 AromaticContact CE1-CE1 3.55Å; F95-F101 HydrophobicContact CE1-CE1 3.55Å; F95-F101 AromaticContact CE1-CZ 3.67Å; F95-F101 HydrophobicContact CE1-CZ 3.67Å; F95-F101 HydrophobicContact CE2-CZ 4.19Å; F95-F101 HydrophobicContact CG-CZ 4.4Å; F95-F101 HydrophobicContact CZ-CE1 4.09Å; F95-F101 AromaticContact CZ-CZ 3.78Å; F95-F101 HydrophobicContact CZ-CZ 3.78Å; E99-F101 WeakPolarHBondContact O-CD2 3.45Å; E99-F101 WeakPolarHBondContact O-CE2 3.12Å; F101-V107 HydrophobicContact CB-CG2 4.48Å; F101-V107 HydrophobicContact CD1-CB 4.41Å; F101-V107 HydrophobicContact CD1-CG1 3.67Å; F101-V107 HydrophobicContact CD1-CG2 3.95Å; F101-V107 HydrophobicContact CE1-CG1 3.73Å; F101-F164 HydrophobicContact CD1-CZ 4.19Å; F101-F164 HydrophobicContact CE1-CZ 4.22Å; F101-L177 HydrophobicContact CE1-CD2 3.79Å; F101-L177 HydrophobicContact CZ-CD2 4.04Å; F101-V200 HydrophobicContact CD2-CB 3.72Å; F101-V200 HydrophobicContact CD2-CG1 4.08Å; F101-V200 HydrophobicContact CD2-CG2 4.16Å; F101-V200 HydrophobicContact CE2-CB 3.71Å; F101-V200 HydrophobicContact CE2-CG1 3.51Å; F101-V200 HydrophobicContact CE2-CG2 4.34Å; F101-V200 HydrophobicContact CG-CB 4.41Å; F101-V200 HydrophobicContact CG-CG2 4.36Å; F101-V200 HydrophobicContact CZ-CB 4.39Å; F101-V200 HydrophobicContact CZ-CG1 3.9Å; F101-I202 HydrophobicContact CB-CD1 3.59Å; F101-I202 HydrophobicContact CG-CD1 4.42Å; F101-I202 CarbonylContact O-C 3.58Å; F101-I202 VanDerWaalsContact O-CA 3.25Å; F101-I202 WeakPolarHBondContact O-CA 3.26Å; F101-I202 WeakPolarHBondContact O-CG2 3.47Å; F101-T203 PolarHBondContact O-N 3.27Å; F101-T203 PolarHBondContact O-OG1 3.4Å |
| 102 | P | 92.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 58.4 Ų | 58.4 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 134.4 | -179.9 | 26.7 | -33.9 | 0 | 0 | 0 | 112 | D100 N105 T203 | D100-P102 WeakPolarHBondContact O-CD 3.5Å; P102-N105 HydrophobicContact CB-CB 3.9Å; P102-N105 HydrophobicContact CG-CB 3.64Å; P102-T203 CarbonylContact C-O 3.55Å; P102-T203 WeakPolarHBondContact CA-O 3.46Å; P102-T203 WeakPolarHBondContact CA-OG1 3.46Å |
| 103 | A | 92.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 146 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | N105 I202 T203 | A103-N105 PolarHBondContact O-N 2.8Å; A103-N105 PolarHBondContact O-ND2 2.87Å; A103-N105 VanDerWaalsContact O-ND2 3.16Å; A103-I202 HydrophobicContact CB-CG2 3.8Å; A103-T203 PolarHBondContact N-O 3.2Å |
| 104 | N | 91.6 | Very high | 93.5 | Very high | 102 Ų | 102 | 54.3 Ų | 54.3 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 24 | 178.8 | -159.5 | 20.6 | 0 | 0 | 0 | 114.4 | P166 E168 | N104-P166 PolarHBondContact N-O 2.81Å; N104-E168 HydrophobicContact CB-CB 4.32Å |
| 105 | N | 92 | Very high | 93.6 | Very high | 50 Ų | 50 | 49 Ų | 49 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -130.8 | 151.5 | 179.6 | -82 | -66.6 | 0 | 0 | 0 | 110.8 | P102 A103 V107 P166 | P102-N105 HydrophobicContact CB-CB 3.9Å; P102-N105 HydrophobicContact CG-CB 3.64Å; A103-N105 PolarHBondContact O-N 2.8Å; A103-N105 PolarHBondContact O-ND2 2.87Å; A103-N105 VanDerWaalsContact O-ND2 3.16Å; N105-V107 PolarHBondContact O-N 2.57Å; N105-P166 VanDerWaalsContact O-CD 3.3Å; N105-P166 WeakPolarHBondContact O-CD 3.1Å |
| 106 | I | 93.7 | Very high | 93.6 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 40% | 0.395 | 28% | 0.283 | S | S | . | . | trans | -72.7 | 116.3 | -179.9 | -55.5 | 171.3 | 0 | 0 | 0 | 109.6 | K97 K108 I165 | K97-I106 PolarHBondContact NZ-O 3.45Å; I106-K108 HydrophobicContact CG2-CG 3.78Å; I106-I165 HydrophobicContact CB-CG1 4.5Å; I106-I165 HydrophobicContact CG1-CD1 3.96Å; I106-I165 HydrophobicContact CG1-CG1 3.86Å | ||
| 107 | V | 94.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 133.4 | 165.3 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | F95 F101 N105 S163 F164 P166 | F95-V107 HydrophobicContact CD1-CG1 4.32Å; F101-V107 HydrophobicContact CB-CG2 4.48Å; F101-V107 HydrophobicContact CD1-CB 4.41Å; F101-V107 HydrophobicContact CD1-CG1 3.67Å; F101-V107 HydrophobicContact CD1-CG2 3.95Å; F101-V107 HydrophobicContact CE1-CG1 3.73Å; N105-V107 PolarHBondContact O-N 2.57Å; V107-S163 CarbonylContact O-C 3.59Å; V107-S163 WeakPolarHBondContact O-CA 3.24Å; V107-S163 WeakPolarHBondContact O-CB 3.32Å; V107-F164 HydrophobicContact CB-CD1 4.44Å; V107-F164 HydrophobicContact CB-CD2 4.45Å; V107-F164 HydrophobicContact CB-CE1 4.08Å; V107-F164 HydrophobicContact CB-CE2 4.12Å; V107-F164 HydrophobicContact CB-CZ 3.92Å; V107-F164 HydrophobicContact CG1-CE1 3.76Å; V107-F164 HydrophobicContact CG1-CE2 4.36Å; V107-F164 HydrophobicContact CG1-CZ 3.69Å; V107-F164 HydrophobicContact CG2-CE2 4.36Å; V107-F164 HydrophobicContact CG2-CZ 4.46Å; V107-F164 PolarHBondContact N-O 2.74Å; V107-F164 PolarHBondContact O-N 2.99Å; V107-P166 HydrophobicContact CG2-CG 4Å |
| 108 | K | 95.6 | Very high | 93.7 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 32% | 0.317 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.4 | -179.8 | -62.4 | -165.9 | 161.1 | -153 | 0 | 110.7 | V96 I106 E161 Y162 | V96-K108 HydrophobicContact CB-CB 4.2Å; V96-K108 HydrophobicContact CG2-CB 4.08Å; V96-K108 PolarHBondContact N-O 3.41Å; I106-K108 HydrophobicContact CG2-CG 3.78Å; K108-E161 IonicContact NZ-OE1 3.23Å; K108-E161 PolarHBondContact NZ-OE1 2.84Å; K108-Y162 WeakPolarHBondContact CA-O 3.45Å |
| 109 | F | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 158.5 | 170.6 | 63.9 | -97.8 | 0 | 0 | 0 | 111.7 | I93 L94 F95 L111 L126 Y162 F164 I179 | I93-F109 HydrophobicContact CD1-CB 4.4Å; I93-F109 HydrophobicContact CD1-CD2 3.76Å; I93-F109 HydrophobicContact CD1-CE2 4.1Å; I93-F109 HydrophobicContact CD1-CG 4.04Å; I93-F109 HydrophobicContact CG1-CB 4.23Å; I93-F109 HydrophobicContact CG1-CD2 3.91Å; I93-F109 HydrophobicContact CG1-CG 4.27Å; L94-F109 CarbonylContact O-C 3.54Å; L94-F109 VanDerWaalsContact O-CA 3.23Å; L94-F109 WeakPolarHBondContact O-CA 3.13Å; L94-F109 WeakPolarHBondContact O-CB 3.42Å; F95-F109 HydrophobicContact CD1-CB 3.68Å; F95-F109 HydrophobicContact CD1-CD1 4.35Å; F95-F109 HydrophobicContact CD1-CG 4.42Å; F95-F109 HydrophobicContact CE1-CB 3.96Å; F95-F109 AromaticContact CE1-CD1 3.93Å; F95-F109 HydrophobicContact CE1-CD1 3.93Å; F95-F109 HydrophobicContact CE1-CG 4.23Å; F95-F109 HydrophobicContact CG-CB 4.26Å; F109-L111 HydrophobicContact CD2-CB 4.49Å; F109-L111 HydrophobicContact CE2-CB 4.39Å; F109-L126 HydrophobicContact CE2-CD1 4.09Å; F109-L126 HydrophobicContact CE2-CD2 4.39Å; F109-L126 HydrophobicContact CZ-CD2 4Å; F109-Y162 HydrophobicContact CD1-CD1 4.4Å; F109-Y162 AromaticContact CE1-CD1 3.42Å; F109-Y162 HydrophobicContact CE1-CD1 3.42Å; F109-Y162 VanDerWaalsContact CE1-CD1 3.42Å; F109-Y162 HydrophobicContact CE1-CE1 4.27Å; F109-Y162 HydrophobicContact CE1-CG 4.23Å; F109-Y162 HydrophobicContact CE2-CD1 4.4Å; F109-Y162 HydrophobicContact CE2-CG 4.47Å; F109-Y162 AromaticContact CZ-CD1 3.41Å; F109-Y162 HydrophobicContact CZ-CD1 3.41Å; F109-Y162 VanDerWaalsContact CZ-CD1 3.41Å; F109-Y162 HydrophobicContact CZ-CE1 4.35Å; F109-Y162 AromaticContact CZ-CG 3.86Å; F109-Y162 HydrophobicContact CZ-CG 3.86Å; F109-Y162 PolarHBondContact N-O 2.78Å; F109-Y162 PolarHBondContact O-N 3.18Å; F109-F164 HydrophobicContact CD1-CD1 4.43Å; F109-F164 HydrophobicContact CD1-CE1 4.03Å; F109-F164 AromaticContact CE1-CD1 3.99Å; F109-F164 HydrophobicContact CE1-CD1 3.99Å; F109-F164 AromaticContact CE1-CE1 3.81Å; F109-F164 HydrophobicContact CE1-CE1 3.81Å; F109-I179 HydrophobicContact CD1-CD1 4.07Å; F109-I179 HydrophobicContact CE1-CD1 3.52Å; F109-I179 HydrophobicContact CE1-CG1 4.32Å; F109-I179 HydrophobicContact CE2-CD1 4.16Å; F109-I179 HydrophobicContact CE2-CG2 4.06Å; F109-I179 HydrophobicContact CZ-CD1 3.57Å; F109-I179 HydrophobicContact CZ-CG1 4.13Å; F109-I179 HydrophobicContact CZ-CG2 3.79Å |
| 110 | L | 96.7 | Very high | 94.5 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.5 | 172.7 | -63.6 | 172.6 | 0 | 0 | 0 | 108.1 | I93 L94 V96 T159 F160 E161 | I93-L110 CarbonylContact C-O 3.56Å; I93-L110 WeakPolarHBondContact CA-O 3.48Å; L94-L110 PolarHBondContact N-O 2.99Å; L94-L110 PolarHBondContact O-N 2.96Å; V96-L110 HydrophobicContact CG2-CG 4.19Å; L110-T159 HydrophobicContact CB-CG2 4.14Å; L110-T159 HydrophobicContact CD2-CG2 4.38Å; L110-F160 CarbonylContact C-O 3.54Å; L110-F160 WeakPolarHBondContact CA-O 3.25Å; L110-E161 HydrophobicContact CD2-CB 3.75Å; L110-E161 HydrophobicContact CD2-CG 4.06Å |
| 111 | L | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120 | 173 | -174.5 | 149 | 0 | 0 | 0 | 108.6 | T92 F109 F113 L126 T159 F160 L181 V195 | T92-L111 CarbonylContact O-C 3.56Å; T92-L111 WeakPolarHBondContact O-CA 3.37Å; F109-L111 HydrophobicContact CD2-CB 4.49Å; F109-L111 HydrophobicContact CE2-CB 4.39Å; L111-F113 HydrophobicContact CD2-CB 4.42Å; L111-L126 HydrophobicContact CB-CD1 4.2Å; L111-L126 HydrophobicContact CD1-CD1 3.81Å; L111-T159 CarbonylContact O-C 3.52Å; L111-T159 VanDerWaalsContact O-CA 3.26Å; L111-T159 WeakPolarHBondContact O-CA 3.46Å; L111-F160 HydrophobicContact CD2-CD2 4.05Å; L111-F160 PolarHBondContact N-O 3.23Å; L111-F160 PolarHBondContact O-N 3.34Å; L111-L181 HydrophobicContact CD1-CB 4.38Å; L111-L181 HydrophobicContact CD1-CD1 4.2Å; L111-L181 HydrophobicContact CD2-CD1 3.94Å; L111-L181 HydrophobicContact CD2-CD2 3.81Å; L111-L181 HydrophobicContact CD2-CG 4.41Å; L111-V195 HydrophobicContact CD1-CB 4.08Å; L111-V195 HydrophobicContact CD1-CG1 3.98Å; L111-V195 HydrophobicContact CD1-CG2 3.83Å; L111-V195 HydrophobicContact CG-CG1 4.39Å |
| 112 | G | 96.8 | Very high | 95 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 9% | 0.093 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | T91 T92 A158 | T91-G112 CarbonylContact C-O 3.59Å; T91-G112 VanDerWaalsContact CA-O 3.29Å; T91-G112 WeakPolarHBondContact CA-O 3.38Å; T92-G112 PolarHBondContact N-O 2.56Å; T92-G112 PolarHBondContact O-N 2.87Å; G112-A158 WeakPolarHBondContact CA-O 3.3Å |
| 113 | F | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.5 | 172.3 | 179.4 | -89.6 | 0 | 0 | 0 | 108.8 | A89 T91 L111 N115 F121 V123 V152 Q157 A158 F160 L181 Y183 | A89-F113 HydrophobicContact CB-CE2 3.69Å; A89-F113 HydrophobicContact CB-CZ 3.79Å; T91-F113 HydrophobicContact CG2-CD2 3.97Å; L111-F113 HydrophobicContact CD2-CB 4.42Å; F113-N115 HydrophobicContact CE1-CB 4.22Å; F113-F121 HydrophobicContact CE1-CB 3.88Å; F113-F121 HydrophobicContact CE1-CD2 4.19Å; F113-F121 HydrophobicContact CE1-CG 4.34Å; F113-F121 HydrophobicContact CZ-CB 3.78Å; F113-F121 AromaticContact CZ-CD2 3.87Å; F113-F121 HydrophobicContact CZ-CD2 3.87Å; F113-F121 AromaticContact CZ-CG 3.92Å; F113-F121 HydrophobicContact CZ-CG 3.92Å; F113-V123 HydrophobicContact CD1-CG2 4Å; F113-V123 HydrophobicContact CD2-CG2 4.33Å; F113-V123 HydrophobicContact CE1-CG2 4.2Å; F113-V123 HydrophobicContact CG-CG2 4.06Å; F113-V123 HydrophobicContact CZ-CG2 4.44Å; F113-V152 HydrophobicContact CD1-CB 4.05Å; F113-V152 HydrophobicContact CD1-CG1 4.03Å; F113-V152 HydrophobicContact CD1-CG2 3.88Å; F113-V152 HydrophobicContact CE1-CB 4.02Å; F113-V152 HydrophobicContact CE1-CG1 4.21Å; F113-V152 HydrophobicContact CE1-CG2 4.22Å; F113-Q157 CarbonylContact O-C 3.56Å; F113-Q157 WeakPolarHBondContact O-CA 3.37Å; F113-Q157 WeakPolarHBondContact O-CB 3.48Å; F113-A158 PolarHBondContact N-O 2.94Å; F113-A158 PolarHBondContact O-N 2.79Å; F113-F160 HydrophobicContact CB-CE2 4.19Å; F113-L181 HydrophobicContact CB-CD2 4.41Å; F113-L181 HydrophobicContact CD2-CD2 3.49Å; F113-L181 VanDerWaalsContact CD2-CD2 3.49Å; F113-L181 HydrophobicContact CE2-CD2 4.16Å; F113-L181 HydrophobicContact CG-CD2 4.31Å; F113-Y183 HydrophobicContact CE2-CD1 4.03Å; F113-Y183 HydrophobicContact CE2-CD2 4.01Å; F113-Y183 HydrophobicContact CE2-CE1 4.12Å; F113-Y183 HydrophobicContact CE2-CE2 4.09Å; F113-Y183 AromaticContact CE2-CG 3.98Å; F113-Y183 HydrophobicContact CE2-CG 3.98Å; F113-Y183 HydrophobicContact CZ-CD2 4.06Å; F113-Y183 HydrophobicContact CZ-CE2 4.28Å; F113-Y183 HydrophobicContact CZ-CG 4.35Å |
| 114 | T | 96.9 | Very high | 95.3 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 27% | 0.27 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 119.1 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | D90 K116 Q157 | D90-T114 PolarHBondContact N-O 3.37Å; D90-T114 PolarHBondContact O-N 3.09Å; T114-K116 PolarHBondContact O-N 2.87Å; T114-Q157 HydrophobicContact CG2-CB 4.46Å |
| 115 | N | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 109.6 | 175.9 | -176.4 | -5 | 0 | 0 | 0 | 110.1 | F113 G117 E119 F121 V152 P153 G155 R156 | F113-N115 HydrophobicContact CE1-CB 4.22Å; N115-G117 WeakPolarHBondContact OD1-CA 3.41Å; N115-G117 PolarHBondContact OD1-N 3.07Å; N115-E119 PolarHBondContact ND2-O 2.89Å; N115-F121 HydrophobicContact CB-CD2 4.11Å; N115-F121 VanDerWaalsContact CG-CD2 3.41Å; N115-F121 WeakPolarHBondContact OD1-CD2 3.44Å; N115-F121 WeakPolarHBondContact OD1-CE2 3.37Å; N115-V152 HydrophobicContact CB-CG1 3.9Å; N115-V152 PolarHBondContact ND2-O 3.48Å; N115-P153 WeakPolarHBondContact CB-O 3.41Å; N115-P153 VanDerWaalsContact ND2-C 3.32Å; N115-P153 PolarHBondContact ND2-O 2.89Å; N115-G155 VanDerWaalsContact O-CA 3.25Å; N115-G155 WeakPolarHBondContact O-CA 3.15Å; N115-G155 PolarHBondContact O-N 2.9Å; N115-R156 PolarHBondContact N-O 2.8Å |
| 116 | K | 95.8 | Very high | 95.7 | Very high | 126 Ų | 126 | 36.6 Ų | 36.6 | 55% | 0.548 | 20% | 0.204 | S | C | . | . | trans | -95.5 | -8.5 | 173.2 | -65.4 | 179.7 | 174.4 | 170.8 | 0 | 113.2 | N88 D90 T114 | N88-K116 WeakPolarHBondContact O-CA 3.42Å; N88-K116 WeakPolarHBondContact O-CB 3.1Å; N88-K116 PolarHBondContact O-N 2.97Å; D90-K116 VanDerWaalsContact OD1-CE 3.26Å; D90-K116 WeakPolarHBondContact OD1-CE 3.26Å; D90-K116 IonicContact OD1-NZ 2.81Å; D90-K116 PolarHBondContact OD1-NZ 2.91Å; D90-K116 WeakPolarHBondContact OD2-CE 3.11Å; D90-K116 IonicContact OD2-NZ 3.67Å; D90-K116 PolarHBondContact OD2-NZ 2.77Å; T114-K116 PolarHBondContact O-N 2.87Å | ||
| 117 | G | 91.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -74.2 | 174 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N88 N115 P154 | N88-G117 PolarHBondContact O-N 2.65Å; N115-G117 WeakPolarHBondContact OD1-CA 3.41Å; N115-G117 PolarHBondContact OD1-N 3.07Å; G117-P154 WeakPolarHBondContact O-CB 3.27Å |
| 118 | G | 93.1 | Very high | 95.9 | Very high | 74 Ų | 74 | 34.4 Ų | 34.4 | 76% | 0.763 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -90.5 | -9.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P154 | G118-P154 VanDerWaalsContact C-CG 3.48Å; G118-P154 VanDerWaalsContact O-CG 3.24Å; G118-P154 WeakPolarHBondContact O-CG 3.12Å |
| 119 | E | 94.3 | Very high | 95.9 | Very high | 83 Ų | 83 | 31.1 Ų | 31.1 | 39% | 0.388 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -108.4 | 164.3 | -179.7 | -64.9 | -171.4 | -163.6 | 0 | 0 | 111.6 | N115 P154 D185 S186 | N115-E119 PolarHBondContact ND2-O 2.89Å; E119-P154 WeakPolarHBondContact O-CG 3.35Å; E119-D185 WeakPolarHBondContact CB-OD1 3.41Å; E119-S186 PolarHBondContact OE2-OG 2.84Å |
| 120 | N | 95.9 | Very high | 95.9 | Very high | 76 Ų | 76 | 31.1 Ų | 31.1 | 41% | 0.406 | 18% | 0.179 | S | C | . | . | trans | -80.4 | 127 | 175.7 | -67.6 | -20.8 | 0 | 0 | 0 | 109.7 | V151 P153 P154 S186 | N120-V151 HydrophobicContact CB-CG1 3.96Å; N120-P153 WeakPolarHBondContact OD1-CA 3.05Å; N120-P154 WeakPolarHBondContact OD1-CD 3.41Å; N120-S186 PolarHBondContact O-N 3.5Å | ||
| 121 | F | 96.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 142.9 | 166.1 | -72.7 | -64.8 | 0 | 0 | 0 | 110.7 | N88 A89 F113 N115 V151 V152 Y183 K184 D185 F191 | N88-F121 HydrophobicContact CB-CE2 4.2Å; N88-F121 HydrophobicContact CB-CZ 4.15Å; A89-F121 HydrophobicContact CB-CE2 4.36Å; F113-F121 HydrophobicContact CE1-CB 3.88Å; F113-F121 HydrophobicContact CE1-CD2 4.19Å; F113-F121 HydrophobicContact CE1-CG 4.34Å; F113-F121 HydrophobicContact CZ-CB 3.78Å; F113-F121 AromaticContact CZ-CD2 3.87Å; F113-F121 HydrophobicContact CZ-CD2 3.87Å; F113-F121 AromaticContact CZ-CG 3.92Å; F113-F121 HydrophobicContact CZ-CG 3.92Å; N115-F121 HydrophobicContact CB-CD2 4.11Å; N115-F121 VanDerWaalsContact CG-CD2 3.41Å; N115-F121 WeakPolarHBondContact OD1-CD2 3.44Å; N115-F121 WeakPolarHBondContact OD1-CE2 3.37Å; F121-V151 CarbonylContact O-C 3.15Å; F121-V151 WeakPolarHBondContact O-CA 3.37Å; F121-V152 PolarHBondContact N-O 3.16Å; F121-V152 VanDerWaalsContact N-O 3.15Å; F121-V152 PolarHBondContact O-N 3.34Å; F121-Y183 AromaticContact CD1-CD2 3.79Å; F121-Y183 HydrophobicContact CD1-CD2 3.79Å; F121-Y183 HydrophobicContact CD1-CE2 4.13Å; F121-Y183 HydrophobicContact CE1-CD2 4.27Å; F121-Y183 HydrophobicContact CE1-CE2 4.17Å; F121-Y183 HydrophobicContact CG-CD2 4.24Å; F121-K184 CarbonylContact C-O 3.56Å; F121-K184 WeakPolarHBondContact CA-O 3.33Å; F121-D185 HydrophobicContact CD1-CB 4.03Å; F121-D185 HydrophobicContact CE1-CB 3.77Å; F121-F191 HydrophobicContact CE1-CD2 4.32Å; F121-F191 HydrophobicContact CE1-CE2 4.3Å |
| 122 | M | 96.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 36 Ų | 36 | 33% | 0.325 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 111.4 | 168.9 | 178.6 | 172.4 | -73.7 | 0 | 0 | 108.4 | E124 V151 Y183 K184 | M122-E124 HydrophobicContact CG-CG 4.42Å; M122-E124 PolarHBondContact O-N 3.23Å; M122-V151 HydrophobicContact CE-CG2 3.57Å; M122-Y183 CarbonylContact O-C 3.57Å; M122-Y183 WeakPolarHBondContact O-CA 3.39Å; M122-Y183 WeakPolarHBondContact O-CB 3.29Å; M122-K184 HydrophobicContact CB-CG 3.98Å; M122-K184 PolarHBondContact N-O 2.86Å; M122-K184 PolarHBondContact O-N 2.82Å; M122-K184 WeakPolarHBondContact SD-CE 3.08Å |
| 123 | V | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 115.8 | 174.2 | -175.6 | 0 | 0 | 0 | 0 | 108 | F113 L148 G149 T150 V152 F160 L181 | F113-V123 HydrophobicContact CD1-CG2 4Å; F113-V123 HydrophobicContact CD2-CG2 4.33Å; F113-V123 HydrophobicContact CE1-CG2 4.2Å; F113-V123 HydrophobicContact CG-CG2 4.06Å; F113-V123 HydrophobicContact CZ-CG2 4.44Å; V123-L148 HydrophobicContact CG1-CB 4.3Å; V123-L148 HydrophobicContact CG1-CD1 3.61Å; V123-G149 CarbonylContact O-C 3.52Å; V123-G149 WeakPolarHBondContact O-CA 3.32Å; V123-G149 PolarHBondContact O-N 3.03Å; V123-T150 PolarHBondContact N-O 3.16Å; V123-T150 PolarHBondContact O-N 3.44Å; V123-V152 HydrophobicContact CG2-CG2 4.02Å; V123-F160 HydrophobicContact CB-CE2 4.15Å; V123-F160 HydrophobicContact CB-CZ 3.95Å; V123-F160 HydrophobicContact CG1-CE2 3.8Å; V123-F160 HydrophobicContact CG1-CZ 3.97Å; V123-F160 HydrophobicContact CG2-CE2 4.03Å; V123-F160 HydrophobicContact CG2-CZ 4.06Å; V123-L181 HydrophobicContact CG1-CD1 3.68Å; V123-L181 HydrophobicContact CG1-CD2 4.31Å; V123-L181 HydrophobicContact CG1-CG 4.12Å |
| 124 | E | 95.6 | Very high | 95.2 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -63.9 | -171.1 | -68.8 | -166.2 | 135.2 | 0 | 0 | 111.6 | M122 Q147 L148 G149 N182 K184 | M122-E124 HydrophobicContact CG-CG 4.42Å; M122-E124 PolarHBondContact O-N 3.23Å; E124-Q147 VanDerWaalsContact C-NE2 3.31Å; E124-Q147 PolarHBondContact O-NE2 3.19Å; E124-L148 PolarHBondContact O-N 2.74Å; E124-G149 PolarHBondContact O-N 3.42Å; E124-N182 PolarHBondContact N-O 3.02Å; E124-K184 HydrophobicContact CG-CD 4.41Å; E124-K184 HydrophobicContact CG-CG 4.33Å; E124-K184 VanDerWaalsContact OE1-CD 3.22Å; E124-K184 WeakPolarHBondContact OE1-CD 3.35Å; E124-K184 WeakPolarHBondContact OE1-CE 3.3Å; E124-K184 IonicContact OE1-NZ 2.64Å; E124-K184 PolarHBondContact OE1-NZ 3.27Å |
| 125 | S | 96.1 | Very high | 95 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 159.6 | -177.7 | 75.9 | 0 | 0 | 0 | 0 | 112.5 | D127 L146 N182 | S125-D127 PolarHBondContact OG-OD1 3.46Å; S125-L146 CarbonylContact C-O 3.45Å; S125-L146 VanDerWaalsContact CA-O 3.25Å; S125-L146 WeakPolarHBondContact CA-O 3.43Å; S125-N182 PolarHBondContact N-O 3.42Å; S125-N182 PolarHBondContact O-N 3.06Å; S125-N182 PolarHBondContact OG-ND2 2.69Å |
| 126 | L | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.4 | 169.9 | -176.6 | 161.1 | 0 | 0 | 0 | 108 | F109 L111 A145 L146 L148 Y162 I179 N180 L181 | F109-L126 HydrophobicContact CE2-CD1 4.09Å; F109-L126 HydrophobicContact CE2-CD2 4.39Å; F109-L126 HydrophobicContact CZ-CD2 4Å; L111-L126 HydrophobicContact CB-CD1 4.2Å; L111-L126 HydrophobicContact CD1-CD1 3.81Å; L126-A145 WeakPolarHBondContact O-CA 3.37Å; L126-L146 HydrophobicContact CB-CB 4.42Å; L126-L146 PolarHBondContact N-O 3.37Å; L126-L146 PolarHBondContact O-N 2.86Å; L126-L148 HydrophobicContact CB-CD1 4.2Å; L126-Y162 HydrophobicContact CD2-CD1 4.04Å; L126-Y162 HydrophobicContact CD2-CD2 3.75Å; L126-Y162 HydrophobicContact CD2-CE1 4.37Å; L126-Y162 HydrophobicContact CD2-CE2 4.12Å; L126-Y162 HydrophobicContact CD2-CG 3.68Å; L126-I179 HydrophobicContact CD2-CG2 4.17Å; L126-I179 HydrophobicContact CG-CG2 4.42Å; L126-N180 WeakPolarHBondContact CA-O 3.39Å; L126-L181 HydrophobicContact CB-CD1 4.17Å; L126-L181 HydrophobicContact CD1-CD1 4.37Å; L126-L181 HydrophobicContact CG-CD1 4.43Å |
| 127 | D | 95.1 | Very high | 94.5 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 22% | 0.219 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137 | -177.5 | -50.6 | -25 | 0 | 0 | 0 | 108.8 | S125 A145 I179 N180 N182 | S125-D127 PolarHBondContact OG-OD1 3.46Å; D127-A145 VanDerWaalsContact OD1-CB 3.24Å; D127-A145 WeakPolarHBondContact OD1-CB 3.47Å; D127-I179 CarbonylContact O-C 3.56Å; D127-I179 WeakPolarHBondContact O-CA 3.45Å; D127-N180 PolarHBondContact N-O 3.09Å; D127-N180 PolarHBondContact O-N 2.97Å; D127-N182 PolarHBondContact OD2-ND2 2.66Å |
| 128 | A | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | N142 F143 Y162 V178 I179 | A128-N142 PolarHBondContact O-OD1 3.5Å; A128-F143 HydrophobicContact CB-CB 4.25Å; A128-F143 HydrophobicContact CB-CD2 3.93Å; A128-F143 VanDerWaalsContact O-CB 3.31Å; A128-F143 WeakPolarHBondContact O-CB 3.14Å; A128-F143 WeakPolarHBondContact O-CD2 3.3Å; A128-F143 PolarHBondContact O-N 2.96Å; A128-Y162 HydrophobicContact CB-CE1 3.75Å; A128-V178 CarbonylContact C-O 3.53Å; A128-V178 WeakPolarHBondContact CA-O 3.33Å; A128-I179 HydrophobicContact CB-CG1 4.22Å |
| 129 | S | 95.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 149.2 | 179.3 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | R131 Q141 V178 | S129-R131 PolarHBondContact OG-NE 3.35Å; S129-Q141 CarbonylContact C-O 3.54Å; S129-Q141 VanDerWaalsContact CA-O 3.32Å; S129-Q141 WeakPolarHBondContact CA-O 3.39Å; S129-V178 PolarHBondContact N-O 2.95Å; S129-V178 PolarHBondContact O-N 3.35Å |
| 130 | F | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 136.8 | 161.7 | -73.2 | -41.1 | 0 | 0 | 0 | 111 | I140 Q141 F143 F164 P166 M170 F175 G176 L177 V200 I202 | F130-I140 PolarHBondContact O-N 3.31Å; F130-Q141 HydrophobicContact CB-CB 4.36Å; F130-Q141 PolarHBondContact N-O 3.19Å; F130-Q141 PolarHBondContact O-N 3Å; F130-F143 HydrophobicContact CD1-CE2 4.45Å; F130-F143 AromaticContact CD2-CE2 3.73Å; F130-F143 HydrophobicContact CD2-CE2 3.73Å; F130-F143 AromaticContact CD2-CZ 3.48Å; F130-F143 HydrophobicContact CD2-CZ 3.48Å; F130-F143 VanDerWaalsContact CD2-CZ 3.48Å; F130-F143 AromaticContact CE2-CE2 3.87Å; F130-F143 HydrophobicContact CE2-CE2 3.87Å; F130-F143 AromaticContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CE2-CZ 3.44Å; F130-F143 VanDerWaalsContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CG-CE2 4.06Å; F130-F143 HydrophobicContact CG-CZ 4.28Å; F130-F143 HydrophobicContact CZ-CE2 4.25Å; F130-F143 HydrophobicContact CZ-CZ 4.14Å; F130-F164 HydrophobicContact CE1-CE2 4.41Å; F130-F164 HydrophobicContact CE2-CE2 4.32Å; F130-F164 AromaticContact CZ-CE2 3.76Å; F130-F164 HydrophobicContact CZ-CE2 3.76Å; F130-P166 HydrophobicContact CE2-CB 3.91Å; F130-P166 HydrophobicContact CE2-CG 4.27Å; F130-P166 HydrophobicContact CZ-CB 4.31Å; F130-P166 HydrophobicContact CZ-CG 4.25Å; F130-M170 HydrophobicContact CB-CE 3.89Å; F130-M170 HydrophobicContact CD2-CE 3.23Å; F130-M170 HydrophobicContact CD2-SD 3.63Å; F130-M170 HydrophobicContact CE2-CE 3.83Å; F130-M170 HydrophobicContact CE2-SD 3.95Å; F130-M170 HydrophobicContact CG-CE 3.77Å; F130-F175 HydrophobicContact CB-CB 4.43Å; F130-F175 HydrophobicContact CD1-CB 4.02Å; F130-F175 HydrophobicContact CG-CB 4.29Å; F130-G176 CarbonylContact C-O 3.52Å; F130-G176 WeakPolarHBondContact CA-O 3.5Å; F130-L177 HydrophobicContact CD1-CB 4.15Å; F130-L177 HydrophobicContact CD1-CD1 3.96Å; F130-L177 HydrophobicContact CE1-CB 3.97Å; F130-L177 HydrophobicContact CE1-CD1 3.71Å; F130-L177 HydrophobicContact CE1-CG 4.29Å; F130-V200 HydrophobicContact CE1-CG2 4.03Å; F130-I202 HydrophobicContact CE1-CD1 4.19Å; F130-I202 HydrophobicContact CE2-CD1 4.19Å; F130-I202 HydrophobicContact CZ-CD1 3.56Å; F130-I202 HydrophobicContact CZ-CG1 4.45Å |
| 131 | R | 95.2 | Very high | 94.2 | Very high | 30 Ų | 30 | 56.7 Ų | 56.7 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 164.4 | -176.4 | -50.9 | -161.5 | -171.9 | -179.2 | -4.9 | 110.9 | S129 Y136 F138 Y139 G176 V178 | S129-R131 PolarHBondContact OG-NE 3.35Å; R131-Y136 WeakPolarHBondContact CD-O 3.31Å; R131-Y136 PolarHBondContact NH1-O 2.89Å; R131-F138 VanDerWaalsContact CA-O 3.28Å; R131-F138 WeakPolarHBondContact CA-O 3.46Å; R131-F138 WeakPolarHBondContact CB-O 3.4Å; R131-Y139 HydrophobicContact CG-CD1 4.39Å; R131-Y139 PolarHBondContact NH2-OH 3.19Å; R131-G176 PolarHBondContact N-O 2.91Å; R131-G176 PolarHBondContact O-N 3.07Å; R131-V178 HydrophobicContact CG-CG2 4.12Å |
| 132 | Y | 94.9 | Very high | 94 | Very high | 132 Ų | 132 | 61.7 Ų | 61.7 | 52% | 0.518 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 130.1 | 175.7 | -75.7 | -88.7 | 0 | 0 | 0 | 110.6 | Q134 D135 Y136 F138 I140 | Y132-Q134 PolarHBondContact O-N 3.48Å; Y132-D135 WeakPolarHBondContact CB-O 3.24Å; Y132-D135 CarbonylContact O-C 3.14Å; Y132-D135 PolarHBondContact O-N 2.95Å; Y132-D135 VanDerWaalsContact O-N 3.14Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.26Å; Y132-F138 HydrophobicContact CD2-CB 3.47Å; Y132-F138 VanDerWaalsContact CD2-CB 3.47Å; Y132-F138 HydrophobicContact CE2-CB 4.05Å; Y132-F138 HydrophobicContact CG-CB 4.41Å; Y132-F138 PolarHBondContact N-O 2.83Å; Y132-I140 HydrophobicContact CD1-CD1 3.96Å; Y132-I140 HydrophobicContact CD1-CG1 4.5Å; Y132-I140 HydrophobicContact CD2-CD1 3.77Å; Y132-I140 HydrophobicContact CD2-CG1 3.54Å; Y132-I140 HydrophobicContact CE1-CD1 4.09Å; Y132-I140 HydrophobicContact CE1-CG1 4.37Å; Y132-I140 HydrophobicContact CE2-CD1 3.94Å; Y132-I140 HydrophobicContact CE2-CG1 3.41Å; Y132-I140 VanDerWaalsContact CE2-CG1 3.41Å; Y132-I140 HydrophobicContact CG-CD1 3.81Å; Y132-I140 HydrophobicContact CG-CG1 4.13Å |
| 133 | P | 92.3 | Very high | 93.9 | Very high | 35 Ų | 35 | 59.5 Ų | 59.5 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.6 | -179.6 | -24 | 31.5 | 0 | 0 | 0 | 114.7 | P174 T199 | P133-P174 HydrophobicContact CG-CB 4.45Å; P133-P174 WeakPolarHBondContact CG-O 3.34Å; P133-T199 HydrophobicContact CB-CG2 3.91Å; P133-T199 HydrophobicContact CG-CG2 4.11Å |
| 134 | Q | 92.7 | Very high | 93.8 | Very high | 186 Ų | 186 | 65.3 Ų | 65.3 | 87% | 0.869 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -27.5 | 179.3 | -61.4 | -58.4 | -47.8 | 0 | 0 | 111.9 | Y132 | Y132-Q134 PolarHBondContact O-N 3.48Š|
| 135 | D | 92.5 | Very high | 93.7 | Very high | 56 Ų | 56 | 65.5 Ų | 65.5 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 108.9 | -177.3 | -171 | -15.6 | 0 | 0 | 0 | 110.5 | Y132 Q137 F138 | Y132-D135 WeakPolarHBondContact CB-O 3.24Å; Y132-D135 CarbonylContact O-C 3.14Å; Y132-D135 PolarHBondContact O-N 2.95Å; Y132-D135 VanDerWaalsContact O-N 3.14Å; D135-Q137 PolarHBondContact O-N 3.21Å; D135-Q137 VanDerWaalsContact OD1-CB 3.29Å; D135-Q137 WeakPolarHBondContact OD1-CB 3.43Å; D135-Q137 WeakPolarHBondContact OD1-CG 3.13Å; D135-Q137 PolarHBondContact OD1-N 3.03Å; D135-F138 HydrophobicContact CB-CD2 4.01Å; D135-F138 HydrophobicContact CB-CE2 4.44Å; D135-F138 PolarHBondContact O-N 3Å; D135-F138 VanDerWaalsContact OD2-CE2 3.3Å; D135-F138 WeakPolarHBondContact OD2-CE2 3.23Å |
| 136 | Y | 90 | Very high | 93.6 | Very high | 52 Ų | 52 | 67.7 Ų | 67.7 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 4.7 | -177 | -80.7 | -121.9 | 0 | 0 | 0 | 112.9 | R131 Y132 G176 V178 N197 T199 | R131-Y136 WeakPolarHBondContact CD-O 3.31Å; R131-Y136 PolarHBondContact NH1-O 2.89Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.26Å; Y136-G176 VanDerWaalsContact CZ-CA 3.5Å; Y136-G176 VanDerWaalsContact OH-CA 3.3Å; Y136-G176 WeakPolarHBondContact OH-CA 3.22Å; Y136-V178 HydrophobicContact CD1-CG2 3.42Å; Y136-V178 VanDerWaalsContact CD1-CG2 3.42Å; Y136-V178 HydrophobicContact CE1-CG2 3.7Å; Y136-N197 WeakPolarHBondContact CD1-OD1 3.29Å; Y136-N197 WeakPolarHBondContact CE1-OD1 3.39Å; Y136-T199 PolarHBondContact OH-N 3.44Å; Y136-T199 VanDerWaalsContact OH-N 3.13Å; Y136-T199 PolarHBondContact OH-OG1 3.45Å |
| 137 | Q | 91.6 | Very high | 93.6 | Very high | 155 Ų | 155 | 74.1 Ų | 74.1 | 72% | 0.724 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -26 | 171.9 | -62.2 | -178.3 | -105.6 | 0 | 0 | 111.9 | D135 | D135-Q137 PolarHBondContact O-N 3.21Å; D135-Q137 VanDerWaalsContact OD1-CB 3.29Å; D135-Q137 WeakPolarHBondContact OD1-CB 3.43Å; D135-Q137 WeakPolarHBondContact OD1-CG 3.13Å; D135-Q137 PolarHBondContact OD1-N 3.03Å |
| 138 | F | 92 | Very high | 93.5 | Very high | 125 Ų | 125 | 73.8 Ų | 73.8 | 55% | 0.548 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 118.3 | -176.8 | -65.1 | -77.9 | 0 | 0 | 0 | 111.9 | R131 Y132 D135 | R131-F138 VanDerWaalsContact CA-O 3.28Å; R131-F138 WeakPolarHBondContact CA-O 3.46Å; R131-F138 WeakPolarHBondContact CB-O 3.4Å; Y132-F138 HydrophobicContact CD2-CB 3.47Å; Y132-F138 VanDerWaalsContact CD2-CB 3.47Å; Y132-F138 HydrophobicContact CE2-CB 4.05Å; Y132-F138 HydrophobicContact CG-CB 4.41Å; Y132-F138 PolarHBondContact N-O 2.83Å; D135-F138 HydrophobicContact CB-CD2 4.01Å; D135-F138 HydrophobicContact CB-CE2 4.44Å; D135-F138 PolarHBondContact O-N 3Å; D135-F138 VanDerWaalsContact OD2-CE2 3.3Å; D135-F138 WeakPolarHBondContact OD2-CE2 3.23Å |
| 139 | Y | 92.3 | Very high | 93.4 | Very high | 130 Ų | 130 | 76.2 Ų | 76.2 | 51% | 0.51 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 137.4 | 176.4 | -64.8 | -93.3 | 0 | 0 | 0 | 111.1 | R131 | R131-Y139 HydrophobicContact CG-CD1 4.39Å; R131-Y139 PolarHBondContact NH2-OH 3.19Å |
| 140 | I | 92.3 | Very high | 93.4 | Very high | 63 Ų | 63 | 78.7 Ų | 78.7 | 32% | 0.323 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -50.1 | 173.9 | -64.8 | 168.9 | 0 | 0 | 0 | 109.3 | F130 Y132 M170 F175 | F130-I140 PolarHBondContact O-N 3.31Å; Y132-I140 HydrophobicContact CD1-CD1 3.96Å; Y132-I140 HydrophobicContact CD1-CG1 4.5Å; Y132-I140 HydrophobicContact CD2-CD1 3.77Å; Y132-I140 HydrophobicContact CD2-CG1 3.54Å; Y132-I140 HydrophobicContact CE1-CD1 4.09Å; Y132-I140 HydrophobicContact CE1-CG1 4.37Å; Y132-I140 HydrophobicContact CE2-CD1 3.94Å; Y132-I140 HydrophobicContact CE2-CG1 3.41Å; Y132-I140 VanDerWaalsContact CE2-CG1 3.41Å; Y132-I140 HydrophobicContact CG-CD1 3.81Å; Y132-I140 HydrophobicContact CG-CG1 4.13Å; I140-M170 HydrophobicContact CG2-CE 4.22Å; I140-F175 HydrophobicContact CD1-CD1 3.51Å; I140-F175 HydrophobicContact CD1-CE1 3.76Å; I140-F175 HydrophobicContact CG2-CE1 4.41Å |
| 141 | Q | 92.3 | Very high | 93.4 | Very high | 54 Ų | 54 | 82.1 Ų | 82.1 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 121.2 | 178 | -174.2 | 176.9 | 7.1 | 0 | 0 | 108.8 | S129 F130 F143 M170 | S129-Q141 CarbonylContact C-O 3.54Å; S129-Q141 VanDerWaalsContact CA-O 3.32Å; S129-Q141 WeakPolarHBondContact CA-O 3.39Å; F130-Q141 HydrophobicContact CB-CB 4.36Å; F130-Q141 PolarHBondContact N-O 3.19Å; F130-Q141 PolarHBondContact O-N 3Å; Q141-F143 HydrophobicContact CG-CD1 4.44Å; Q141-F143 HydrophobicContact CG-CE1 4.12Å; Q141-F143 HydrophobicContact CG-CZ 4.42Å; Q141-M170 PolarHBondContact OE1-SD 3.49Å; Q141-M170 VanDerWaalsContact OE1-SD 3.33Å |
| 142 | N | 92.9 | Very high | 93.5 | Very high | 107 Ų | 107 | 80.8 Ų | 80.8 | 57% | 0.572 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.8 | 170.7 | -143.7 | -16.8 | 0 | 0 | 0 | 108.1 | A128 | A128-N142 PolarHBondContact O-OD1 3.5Å |
| 143 | F | 94.4 | Very high | 93.6 | Very high | 19 Ų | 19 | 76.3 Ų | 76.3 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 158.8 | 176 | -62 | -68.4 | 0 | 0 | 0 | 110.1 | A128 F130 Q141 A145 Y162 F164 | A128-F143 HydrophobicContact CB-CB 4.25Å; A128-F143 HydrophobicContact CB-CD2 3.93Å; A128-F143 VanDerWaalsContact O-CB 3.31Å; A128-F143 WeakPolarHBondContact O-CB 3.14Å; A128-F143 WeakPolarHBondContact O-CD2 3.3Å; A128-F143 PolarHBondContact O-N 2.96Å; F130-F143 HydrophobicContact CD1-CE2 4.45Å; F130-F143 AromaticContact CD2-CE2 3.73Å; F130-F143 HydrophobicContact CD2-CE2 3.73Å; F130-F143 AromaticContact CD2-CZ 3.48Å; F130-F143 HydrophobicContact CD2-CZ 3.48Å; F130-F143 VanDerWaalsContact CD2-CZ 3.48Å; F130-F143 AromaticContact CE2-CE2 3.87Å; F130-F143 HydrophobicContact CE2-CE2 3.87Å; F130-F143 AromaticContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CE2-CZ 3.44Å; F130-F143 VanDerWaalsContact CE2-CZ 3.44Å; F130-F143 HydrophobicContact CG-CE2 4.06Å; F130-F143 HydrophobicContact CG-CZ 4.28Å; F130-F143 HydrophobicContact CZ-CE2 4.25Å; F130-F143 HydrophobicContact CZ-CZ 4.14Å; Q141-F143 HydrophobicContact CG-CD1 4.44Å; Q141-F143 HydrophobicContact CG-CE1 4.12Å; Q141-F143 HydrophobicContact CG-CZ 4.42Å; F143-A145 PolarHBondContact O-N 3.33Å; F143-Y162 VanDerWaalsContact CB-OH 3.24Å; F143-Y162 WeakPolarHBondContact CB-OH 3.22Å; F143-F164 HydrophobicContact CB-CB 4.43Å; F143-F164 HydrophobicContact CD1-CB 3.76Å; F143-F164 HydrophobicContact CD1-CD2 4.33Å; F143-F164 HydrophobicContact CD1-CG 4.39Å; F143-F164 HydrophobicContact CD2-CB 4.2Å; F143-F164 HydrophobicContact CD2-CD2 4.11Å; F143-F164 HydrophobicContact CD2-CG 4.16Å; F143-F164 HydrophobicContact CE1-CB 3.99Å; F143-F164 AromaticContact CE1-CD2 3.78Å; F143-F164 HydrophobicContact CE1-CD2 3.78Å; F143-F164 HydrophobicContact CE1-CG 4.28Å; F143-F164 HydrophobicContact CE2-CB 4.42Å; F143-F164 AromaticContact CE2-CD2 3.54Å; F143-F164 HydrophobicContact CE2-CD2 3.54Å; F143-F164 AromaticContact CE2-CE2 3.93Å; F143-F164 HydrophobicContact CE2-CE2 3.93Å; F143-F164 HydrophobicContact CE2-CG 4.05Å; F143-F164 HydrophobicContact CG-CB 3.87Å; F143-F164 HydrophobicContact CG-CD2 4.48Å; F143-F164 HydrophobicContact CG-CG 4.33Å; F143-F164 HydrophobicContact CZ-CB 4.31Å; F143-F164 AromaticContact CZ-CD2 3.35Å; F143-F164 HydrophobicContact CZ-CD2 3.35Å; F143-F164 AromaticContact CZ-CE2 3.93Å; F143-F164 HydrophobicContact CZ-CE2 3.93Å; F143-F164 HydrophobicContact CZ-CG 4.11Å |
| 144 | T | 93.5 | Very high | 93.8 | Very high | 123 Ų | 123 | 77.2 Ų | 77.2 | 76% | 0.755 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 122.3 | 179.1 | -52.1 | 0 | 0 | 0 | 0 | 110.3 | L146 Y162 | T144-L146 PolarHBondContact O-N 2.87Å; T144-Y162 WeakPolarHBondContact O-CE2 3.46Å; T144-Y162 PolarHBondContact O-OH 2.91Å |
| 145 | A | 93.5 | Very high | 93.8 | Very high | 51 Ų | 51 | 71.7 Ų | 71.7 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 132 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L126 D127 F143 | L126-A145 WeakPolarHBondContact O-CA 3.37Å; D127-A145 VanDerWaalsContact OD1-CB 3.24Å; D127-A145 WeakPolarHBondContact OD1-CB 3.47Å; F143-A145 PolarHBondContact O-N 3.33Å |
| 146 | L | 94.4 | Very high | 94 | Very high | 59 Ų | 59 | 76.8 Ų | 76.8 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 111.8 | 175 | 176.9 | 64.6 | 0 | 0 | 0 | 109.4 | S125 L126 T144 L148 Y162 | S125-L146 CarbonylContact C-O 3.45Å; S125-L146 VanDerWaalsContact CA-O 3.25Å; S125-L146 WeakPolarHBondContact CA-O 3.43Å; L126-L146 HydrophobicContact CB-CB 4.42Å; L126-L146 PolarHBondContact N-O 3.37Å; L126-L146 PolarHBondContact O-N 2.86Å; T144-L146 PolarHBondContact O-N 2.87Å; L146-L148 HydrophobicContact CD2-CD2 3.62Å; L146-L148 HydrophobicContact CD2-CG 4.42Å; L146-L148 HydrophobicContact CG-CD2 3.8Å; L146-L148 HydrophobicContact CG-CG 4.27Å; L146-L148 PolarHBondContact O-N 2.98Å; L146-Y162 HydrophobicContact CB-CD2 3.6Å; L146-Y162 HydrophobicContact CB-CE2 3.72Å; L146-Y162 HydrophobicContact CD2-CD2 3.86Å; L146-Y162 HydrophobicContact CG-CD2 4.34Å |
| 147 | Q | 95.6 | Very high | 94.3 | Very high | 135 Ų | 135 | 81.1 Ų | 81.1 | 63% | 0.631 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 119.5 | 173.4 | -149.4 | 68.9 | 40 | 0 | 0 | 110.2 | E124 | E124-Q147 VanDerWaalsContact C-NE2 3.31Å; E124-Q147 PolarHBondContact O-NE2 3.19Å |
| 148 | L | 93.9 | Very high | 94.5 | Very high | 33 Ų | 33 | 74.6 Ų | 74.6 | 17% | 0.173 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -41.2 | -174.1 | -67.2 | 173.1 | 0 | 0 | 0 | 112.7 | V123 E124 L126 L146 T150 F160 L181 | V123-L148 HydrophobicContact CG1-CB 4.3Å; V123-L148 HydrophobicContact CG1-CD1 3.61Å; E124-L148 PolarHBondContact O-N 2.74Å; L126-L148 HydrophobicContact CB-CD1 4.2Å; L146-L148 HydrophobicContact CD2-CD2 3.62Å; L146-L148 HydrophobicContact CD2-CG 4.42Å; L146-L148 HydrophobicContact CG-CD2 3.8Å; L146-L148 HydrophobicContact CG-CG 4.27Å; L146-L148 PolarHBondContact O-N 2.98Å; L148-T150 PolarHBondContact O-N 3.46Å; L148-T150 PolarHBondContact O-OG1 3.17Å; L148-F160 HydrophobicContact CB-CD1 4.46Å; L148-F160 HydrophobicContact CB-CE1 4.21Å; L148-F160 HydrophobicContact CD1-CB 4.09Å; L148-F160 HydrophobicContact CD1-CD1 3.65Å; L148-F160 HydrophobicContact CD1-CD2 3.76Å; L148-F160 HydrophobicContact CD1-CE1 3.92Å; L148-F160 HydrophobicContact CD1-CE2 4.04Å; L148-F160 HydrophobicContact CD1-CG 3.54Å; L148-F160 HydrophobicContact CD1-CZ 4.1Å; L148-F160 HydrophobicContact CD2-CB 4.17Å; L148-F160 HydrophobicContact CD2-CD1 3.44Å; L148-F160 VanDerWaalsContact CD2-CD1 3.44Å; L148-F160 HydrophobicContact CD2-CE1 4.01Å; L148-F160 HydrophobicContact CD2-CG 3.95Å; L148-F160 HydrophobicContact CG-CD1 4.03Å; L148-F160 HydrophobicContact CG-CE1 4.27Å; L148-F160 HydrophobicContact CG-CG 4.35Å; L148-L181 HydrophobicContact CD1-CD1 4.29Å |
| 149 | G | 93.5 | Very high | 94.7 | Very high | 52 Ų | 52 | 72.7 Ų | 72.7 | 54% | 0.536 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 31.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | V123 E124 | V123-G149 CarbonylContact O-C 3.52Å; V123-G149 WeakPolarHBondContact O-CA 3.32Å; V123-G149 PolarHBondContact O-N 3.03Å; E124-G149 PolarHBondContact O-N 3.42Å |
| 150 | T | 95.2 | Very high | 94.9 | Very high | 55 Ų | 55 | 67.2 Ų | 67.2 | 34% | 0.337 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129 | -169.1 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | V123 L148 F160 | V123-T150 PolarHBondContact N-O 3.16Å; V123-T150 PolarHBondContact O-N 3.44Å; L148-T150 PolarHBondContact O-N 3.46Å; L148-T150 PolarHBondContact O-OG1 3.17Å; T150-F160 HydrophobicContact CG2-CE1 4.19Å; T150-F160 HydrophobicContact CG2-CZ 4.27Å |
| 151 | V | 96.5 | Very high | 95.1 | Very high | 72 Ų | 72 | 69.2 Ų | 69.2 | 44% | 0.436 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 124.9 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | N120 F121 M122 P153 | N120-V151 HydrophobicContact CB-CG1 3.96Å; F121-V151 CarbonylContact O-C 3.15Å; F121-V151 WeakPolarHBondContact O-CA 3.37Å; M122-V151 HydrophobicContact CE-CG2 3.57Å; V151-P153 WeakPolarHBondContact O-CD 3.44Å |
| 152 | V | 96.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.018 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 106.8 | 178 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | F113 N115 F121 V123 R156 A158 | F113-V152 HydrophobicContact CD1-CB 4.05Å; F113-V152 HydrophobicContact CD1-CG1 4.03Å; F113-V152 HydrophobicContact CD1-CG2 3.88Å; F113-V152 HydrophobicContact CE1-CB 4.02Å; F113-V152 HydrophobicContact CE1-CG1 4.21Å; F113-V152 HydrophobicContact CE1-CG2 4.22Å; N115-V152 HydrophobicContact CB-CG1 3.9Å; N115-V152 PolarHBondContact ND2-O 3.48Å; F121-V152 PolarHBondContact N-O 3.16Å; F121-V152 VanDerWaalsContact N-O 3.15Å; F121-V152 PolarHBondContact O-N 3.34Å; V123-V152 HydrophobicContact CG2-CG2 4.02Å; V152-R156 HydrophobicContact CG1-CB 4.33Å; V152-R156 WeakPolarHBondContact CG1-O 3.25Å; V152-A158 HydrophobicContact CG2-CB 3.63Å |
| 153 | P | 96.4 | Very high | 95.4 | Very high | 38 Ų | 38 | 65.1 Ų | 65.1 | 25% | 0.247 | 38% | 0.381 | C | S | . | . | trans | -65.7 | 162.2 | 178.5 | -22.4 | 34.2 | 0 | 0 | 0 | 113.7 | N115 N120 V151 G155 R156 | N115-P153 WeakPolarHBondContact CB-O 3.41Å; N115-P153 VanDerWaalsContact ND2-C 3.32Å; N115-P153 PolarHBondContact ND2-O 2.89Å; N120-P153 WeakPolarHBondContact OD1-CA 3.05Å; V151-P153 WeakPolarHBondContact O-CD 3.44Å; P153-G155 PolarHBondContact O-N 2.79Å; P153-R156 WeakPolarHBondContact O-CB 3.13Å; P153-R156 PolarHBondContact O-N 3.17Å; P153-R156 VanDerWaalsContact O-N 3.14Å | ||
| 154 | P | 96.4 | Very high | 95.4 | Very high | 53 Ų | 53 | 64.6 Ų | 64.6 | 34% | 0.344 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 133.6 | 172.3 | -32.1 | 35 | 0 | 0 | 0 | 113.2 | G117 G118 E119 N120 R156 | G117-P154 WeakPolarHBondContact O-CB 3.27Å; G118-P154 VanDerWaalsContact C-CG 3.48Å; G118-P154 VanDerWaalsContact O-CG 3.24Å; G118-P154 WeakPolarHBondContact O-CG 3.12Å; E119-P154 WeakPolarHBondContact O-CG 3.35Å; N120-P154 WeakPolarHBondContact OD1-CD 3.41Å; P154-R156 PolarHBondContact O-N 3.02Å |
| 155 | G | 94.5 | Very high | 95.5 | Very high | 70 Ų | 70 | 62.7 Ų | 62.7 | 72% | 0.722 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 9.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N115 P153 | N115-G155 VanDerWaalsContact O-CA 3.25Å; N115-G155 WeakPolarHBondContact O-CA 3.15Å; N115-G155 PolarHBondContact O-N 2.9Å; P153-G155 PolarHBondContact O-N 2.79Å |
| 156 | R | 96.1 | Very high | 95.5 | Very high | 164 Ų | 164 | 60.2 Ų | 60.2 | 62% | 0.619 | 34% | 0.343 | S | S | * | . | trans | -106.3 | 160.7 | 173.2 | -70.9 | -168 | 176.9 | 158.9 | 1.5 | 111.5 | N115 V152 P153 P154 | N115-R156 PolarHBondContact N-O 2.8Å; V152-R156 HydrophobicContact CG1-CB 4.33Å; V152-R156 WeakPolarHBondContact CG1-O 3.25Å; P153-R156 WeakPolarHBondContact O-CB 3.13Å; P153-R156 PolarHBondContact O-N 3.17Å; P153-R156 VanDerWaalsContact O-N 3.14Å; P154-R156 PolarHBondContact O-N 3.02Å | ||
| 157 | Q | 95.9 | Very high | 95.3 | Very high | 142 Ų | 142 | 59.1 Ų | 59.1 | 66% | 0.664 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150 | 172.3 | 66 | -174.7 | 54.1 | 0 | 0 | 110.4 | F113 T114 | F113-Q157 CarbonylContact O-C 3.56Å; F113-Q157 WeakPolarHBondContact O-CA 3.37Å; F113-Q157 WeakPolarHBondContact O-CB 3.48Å; T114-Q157 HydrophobicContact CG2-CB 4.46Å |
| 158 | A | 96.1 | Very high | 95 | Very high | 19 Ų | 19 | 58.8 Ų | 58.8 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 155.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.2 | G112 F113 V152 F160 | G112-A158 WeakPolarHBondContact CA-O 3.3Å; F113-A158 PolarHBondContact N-O 2.94Å; F113-A158 PolarHBondContact O-N 2.79Å; V152-A158 HydrophobicContact CG2-CB 3.63Å; A158-F160 HydrophobicContact CB-CE1 4.4Å; A158-F160 HydrophobicContact CB-CE2 4.02Å; A158-F160 HydrophobicContact CB-CZ 3.74Å |
| 159 | T | 96.7 | Very high | 94.8 | Very high | 84 Ų | 84 | 62.4 Ų | 62.4 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 133.4 | 177.1 | -53.7 | 0 | 0 | 0 | 0 | 108.9 | L110 L111 | L110-T159 HydrophobicContact CB-CG2 4.14Å; L110-T159 HydrophobicContact CD2-CG2 4.38Å; L111-T159 CarbonylContact O-C 3.52Å; L111-T159 VanDerWaalsContact O-CA 3.26Å; L111-T159 WeakPolarHBondContact O-CA 3.46Å |
| 160 | F | 96.2 | Very high | 94.6 | Very high | 16 Ų | 16 | 60.5 Ų | 60.5 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.9 | -177.2 | -53.4 | -70.2 | 0 | 0 | 0 | 109.2 | L110 L111 F113 V123 L148 T150 A158 | L110-F160 CarbonylContact C-O 3.54Å; L110-F160 WeakPolarHBondContact CA-O 3.25Å; L111-F160 HydrophobicContact CD2-CD2 4.05Å; L111-F160 PolarHBondContact N-O 3.23Å; L111-F160 PolarHBondContact O-N 3.34Å; F113-F160 HydrophobicContact CB-CE2 4.19Å; V123-F160 HydrophobicContact CB-CE2 4.15Å; V123-F160 HydrophobicContact CB-CZ 3.95Å; V123-F160 HydrophobicContact CG1-CE2 3.8Å; V123-F160 HydrophobicContact CG1-CZ 3.97Å; V123-F160 HydrophobicContact CG2-CE2 4.03Å; V123-F160 HydrophobicContact CG2-CZ 4.06Å; L148-F160 HydrophobicContact CB-CD1 4.46Å; L148-F160 HydrophobicContact CB-CE1 4.21Å; L148-F160 HydrophobicContact CD1-CB 4.09Å; L148-F160 HydrophobicContact CD1-CD1 3.65Å; L148-F160 HydrophobicContact CD1-CD2 3.76Å; L148-F160 HydrophobicContact CD1-CE1 3.92Å; L148-F160 HydrophobicContact CD1-CE2 4.04Å; L148-F160 HydrophobicContact CD1-CG 3.54Å; L148-F160 HydrophobicContact CD1-CZ 4.1Å; L148-F160 HydrophobicContact CD2-CB 4.17Å; L148-F160 HydrophobicContact CD2-CD1 3.44Å; L148-F160 VanDerWaalsContact CD2-CD1 3.44Å; L148-F160 HydrophobicContact CD2-CE1 4.01Å; L148-F160 HydrophobicContact CD2-CG 3.95Å; L148-F160 HydrophobicContact CG-CD1 4.03Å; L148-F160 HydrophobicContact CG-CE1 4.27Å; L148-F160 HydrophobicContact CG-CG 4.35Å; T150-F160 HydrophobicContact CG2-CE1 4.19Å; T150-F160 HydrophobicContact CG2-CZ 4.27Å; A158-F160 HydrophobicContact CB-CE1 4.4Å; A158-F160 HydrophobicContact CB-CE2 4.02Å; A158-F160 HydrophobicContact CB-CZ 3.74Å |
| 161 | E | 96 | Very high | 94.4 | Very high | 105 Ų | 105 | 58 Ų | 58 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130.8 | 170.6 | -175.7 | 179.8 | 158.3 | 0 | 0 | 108.7 | K108 L110 | K108-E161 IonicContact NZ-OE1 3.23Å; K108-E161 PolarHBondContact NZ-OE1 2.84Å; L110-E161 HydrophobicContact CD2-CB 3.75Å; L110-E161 HydrophobicContact CD2-CG 4.06Å |
| 162 | Y | 96.3 | Very high | 94.1 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 6% | 0.063 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.2 | 171.5 | -175.1 | -94.6 | 0 | 0 | 0 | 110.1 | K108 F109 L126 A128 F143 T144 L146 F164 | K108-Y162 WeakPolarHBondContact CA-O 3.45Å; F109-Y162 HydrophobicContact CD1-CD1 4.4Å; F109-Y162 AromaticContact CE1-CD1 3.42Å; F109-Y162 HydrophobicContact CE1-CD1 3.42Å; F109-Y162 VanDerWaalsContact CE1-CD1 3.42Å; F109-Y162 HydrophobicContact CE1-CE1 4.27Å; F109-Y162 HydrophobicContact CE1-CG 4.23Å; F109-Y162 HydrophobicContact CE2-CD1 4.4Å; F109-Y162 HydrophobicContact CE2-CG 4.47Å; F109-Y162 AromaticContact CZ-CD1 3.41Å; F109-Y162 HydrophobicContact CZ-CD1 3.41Å; F109-Y162 VanDerWaalsContact CZ-CD1 3.41Å; F109-Y162 HydrophobicContact CZ-CE1 4.35Å; F109-Y162 AromaticContact CZ-CG 3.86Å; F109-Y162 HydrophobicContact CZ-CG 3.86Å; F109-Y162 PolarHBondContact N-O 2.78Å; F109-Y162 PolarHBondContact O-N 3.18Å; L126-Y162 HydrophobicContact CD2-CD1 4.04Å; L126-Y162 HydrophobicContact CD2-CD2 3.75Å; L126-Y162 HydrophobicContact CD2-CE1 4.37Å; L126-Y162 HydrophobicContact CD2-CE2 4.12Å; L126-Y162 HydrophobicContact CD2-CG 3.68Å; A128-Y162 HydrophobicContact CB-CE1 3.75Å; F143-Y162 VanDerWaalsContact CB-OH 3.24Å; F143-Y162 WeakPolarHBondContact CB-OH 3.22Å; T144-Y162 WeakPolarHBondContact O-CE2 3.46Å; T144-Y162 PolarHBondContact O-OH 2.91Å; L146-Y162 HydrophobicContact CB-CD2 3.6Å; L146-Y162 HydrophobicContact CB-CE2 3.72Å; L146-Y162 HydrophobicContact CD2-CD2 3.86Å; L146-Y162 HydrophobicContact CG-CD2 4.34Å; Y162-F164 HydrophobicContact CD1-CD1 4.17Å; Y162-F164 HydrophobicContact CE1-CB 3.98Å; Y162-F164 AromaticContact CE1-CD1 3.96Å; Y162-F164 HydrophobicContact CE1-CD1 3.96Å; Y162-F164 HydrophobicContact CE1-CG 4.41Å |
| 163 | S | 95.5 | Very high | 93.8 | Very high | 58 Ų | 58 | 64.6 Ų | 64.6 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 141.4 | 179.1 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | V107 | V107-S163 CarbonylContact O-C 3.59Å; V107-S163 WeakPolarHBondContact O-CA 3.24Å; V107-S163 WeakPolarHBondContact O-CB 3.32Å |
| 164 | F | 94.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 4% | 0.039 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 166.2 | 176.3 | 65.3 | -87.4 | 0 | 0 | 0 | 110.5 | F101 V107 F109 F130 F143 Y162 P166 L177 | F101-F164 HydrophobicContact CD1-CZ 4.19Å; F101-F164 HydrophobicContact CE1-CZ 4.22Å; V107-F164 HydrophobicContact CB-CD1 4.44Å; V107-F164 HydrophobicContact CB-CD2 4.45Å; V107-F164 HydrophobicContact CB-CE1 4.08Å; V107-F164 HydrophobicContact CB-CE2 4.12Å; V107-F164 HydrophobicContact CB-CZ 3.92Å; V107-F164 HydrophobicContact CG1-CE1 3.76Å; V107-F164 HydrophobicContact CG1-CE2 4.36Å; V107-F164 HydrophobicContact CG1-CZ 3.69Å; V107-F164 HydrophobicContact CG2-CE2 4.36Å; V107-F164 HydrophobicContact CG2-CZ 4.46Å; V107-F164 PolarHBondContact N-O 2.74Å; V107-F164 PolarHBondContact O-N 2.99Å; F109-F164 HydrophobicContact CD1-CD1 4.43Å; F109-F164 HydrophobicContact CD1-CE1 4.03Å; F109-F164 AromaticContact CE1-CD1 3.99Å; F109-F164 HydrophobicContact CE1-CD1 3.99Å; F109-F164 AromaticContact CE1-CE1 3.81Å; F109-F164 HydrophobicContact CE1-CE1 3.81Å; F130-F164 HydrophobicContact CE1-CE2 4.41Å; F130-F164 HydrophobicContact CE2-CE2 4.32Å; F130-F164 AromaticContact CZ-CE2 3.76Å; F130-F164 HydrophobicContact CZ-CE2 3.76Å; F143-F164 HydrophobicContact CB-CB 4.43Å; F143-F164 HydrophobicContact CD1-CB 3.76Å; F143-F164 HydrophobicContact CD1-CD2 4.33Å; F143-F164 HydrophobicContact CD1-CG 4.39Å; F143-F164 HydrophobicContact CD2-CB 4.2Å; F143-F164 HydrophobicContact CD2-CD2 4.11Å; F143-F164 HydrophobicContact CD2-CG 4.16Å; F143-F164 HydrophobicContact CE1-CB 3.99Å; F143-F164 AromaticContact CE1-CD2 3.78Å; F143-F164 HydrophobicContact CE1-CD2 3.78Å; F143-F164 HydrophobicContact CE1-CG 4.28Å; F143-F164 HydrophobicContact CE2-CB 4.42Å; F143-F164 AromaticContact CE2-CD2 3.54Å; F143-F164 HydrophobicContact CE2-CD2 3.54Å; F143-F164 AromaticContact CE2-CE2 3.93Å; F143-F164 HydrophobicContact CE2-CE2 3.93Å; F143-F164 HydrophobicContact CE2-CG 4.05Å; F143-F164 HydrophobicContact CG-CB 3.87Å; F143-F164 HydrophobicContact CG-CD2 4.48Å; F143-F164 HydrophobicContact CG-CG 4.33Å; F143-F164 HydrophobicContact CZ-CB 4.31Å; F143-F164 AromaticContact CZ-CD2 3.35Å; F143-F164 HydrophobicContact CZ-CD2 3.35Å; F143-F164 AromaticContact CZ-CE2 3.93Å; F143-F164 HydrophobicContact CZ-CE2 3.93Å; F143-F164 HydrophobicContact CZ-CG 4.11Å; Y162-F164 HydrophobicContact CD1-CD1 4.17Å; Y162-F164 HydrophobicContact CE1-CB 3.98Å; Y162-F164 AromaticContact CE1-CD1 3.96Å; Y162-F164 HydrophobicContact CE1-CD1 3.96Å; Y162-F164 HydrophobicContact CE1-CG 4.41Å; F164-P166 HydrophobicContact CD2-CG 4.31Å; F164-P166 HydrophobicContact CE2-CG 4.01Å; F164-L177 HydrophobicContact CZ-CD1 4.11Å; F164-L177 HydrophobicContact CZ-CD2 4.15Å |
| 165 | I | 94.4 | Very high | 93.7 | Very high | 82 Ų | 82 | 64.5 Ų | 64.5 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | trans | -124 | 111.3 | -179.1 | -57.6 | 172.9 | 0 | 0 | 0 | 107.7 | I106 A167 | I106-I165 HydrophobicContact CB-CG1 4.5Å; I106-I165 HydrophobicContact CG1-CD1 3.96Å; I106-I165 HydrophobicContact CG1-CG1 3.86Å; I165-A167 PolarHBondContact O-N 3.23Å | ||
| 166 | P | 93.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -61.1 | 134.2 | 170.1 | -20.1 | 32.4 | 0 | 0 | 0 | 110.2 | N104 N105 V107 F130 F164 I202 | N104-P166 PolarHBondContact N-O 2.81Å; N105-P166 VanDerWaalsContact O-CD 3.3Å; N105-P166 WeakPolarHBondContact O-CD 3.1Å; V107-P166 HydrophobicContact CG2-CG 4Å; F130-P166 HydrophobicContact CE2-CB 3.91Å; F130-P166 HydrophobicContact CE2-CG 4.27Å; F130-P166 HydrophobicContact CZ-CB 4.31Å; F130-P166 HydrophobicContact CZ-CG 4.25Å; F164-P166 HydrophobicContact CD2-CG 4.31Å; F164-P166 HydrophobicContact CE2-CG 4.01Å; P166-I202 HydrophobicContact CB-CD1 4.2Å; P166-I202 HydrophobicContact CB-CG2 4.11Å; P166-I202 HydrophobicContact CG-CD1 4.26Å | ||
| 167 | A | 90.2 | Very high | 93.7 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | trans | -64.7 | 144.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | I165 P169 M170 | I165-A167 PolarHBondContact O-N 3.23Å; A167-P169 VanDerWaalsContact C-CD 3.45Å; A167-P169 HydrophobicContact CB-CG 4.36Å; A167-M170 HydrophobicContact CB-CG 4.11Å; A167-M170 HydrophobicContact CB-SD 4.17Å; A167-M170 VanDerWaalsContact O-CB 3.22Å; A167-M170 WeakPolarHBondContact O-CB 2.84Å; A167-M170 WeakPolarHBondContact O-CG 3.39Å; A167-M170 PolarHBondContact O-N 2.92Å | ||
| 168 | E | 89.8 | Confident | 93.7 | Very high | 128 Ų | 128 | 46.7 Ų | 46.7 | 60% | 0.598 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -49.6 | -46.1 | 178.8 | -168.2 | 175.9 | 170.7 | 0 | 0 | 115.2 | N104 M170 G171 | N104-E168 HydrophobicContact CB-CB 4.32Å; E168-M170 PolarHBondContact O-N 3.25Å; E168-G171 PolarHBondContact O-N 3.47Å |
| 169 | P | 89.3 | Confident | 93.7 | Very high | 110 Ų | 110 | 45.8 Ų | 45.8 | 71% | 0.714 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -69.1 | -3.2 | -179.6 | 29.5 | -38.2 | 0 | 0 | 0 | 114.2 | A167 G171 | A167-P169 VanDerWaalsContact C-CD 3.45Å; A167-P169 HydrophobicContact CB-CG 4.36Å; P169-G171 VanDerWaalsContact C-N 3.27Å |
| 170 | M | 89.3 | Confident | 93.6 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 5% | 0.054 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -83.4 | -7.1 | 173.1 | -55.6 | -171.6 | 72.7 | 0 | 0 | 112.1 | F130 I140 Q141 A167 E168 F175 I202 | F130-M170 HydrophobicContact CB-CE 3.89Å; F130-M170 HydrophobicContact CD2-CE 3.23Å; F130-M170 HydrophobicContact CD2-SD 3.63Å; F130-M170 HydrophobicContact CE2-CE 3.83Å; F130-M170 HydrophobicContact CE2-SD 3.95Å; F130-M170 HydrophobicContact CG-CE 3.77Å; I140-M170 HydrophobicContact CG2-CE 4.22Å; Q141-M170 PolarHBondContact OE1-SD 3.49Å; Q141-M170 VanDerWaalsContact OE1-SD 3.33Å; A167-M170 HydrophobicContact CB-CG 4.11Å; A167-M170 HydrophobicContact CB-SD 4.17Å; A167-M170 VanDerWaalsContact O-CB 3.22Å; A167-M170 WeakPolarHBondContact O-CB 2.84Å; A167-M170 WeakPolarHBondContact O-CG 3.39Å; A167-M170 PolarHBondContact O-N 2.92Å; E168-M170 PolarHBondContact O-N 3.25Å; M170-F175 HydrophobicContact CB-CD2 4.35Å; M170-F175 HydrophobicContact CB-CE2 3.58Å; M170-F175 HydrophobicContact CB-CZ 3.9Å; M170-F175 HydrophobicContact CE-CB 4.36Å; M170-F175 HydrophobicContact CE-CD1 3.49Å; M170-F175 VanDerWaalsContact CE-CD1 3.49Å; M170-F175 HydrophobicContact CE-CD2 3.59Å; M170-F175 HydrophobicContact CE-CE1 3.5Å; M170-F175 HydrophobicContact CE-CE2 3.6Å; M170-F175 HydrophobicContact CE-CG 3.51Å; M170-F175 HydrophobicContact CE-CZ 3.54Å; M170-F175 HydrophobicContact CG-CE2 4.22Å; M170-F175 HydrophobicContact CG-CZ 4.1Å; M170-F175 VanDerWaalsContact O-CE2 3.27Å; M170-F175 WeakPolarHBondContact O-CE2 3.28Å; M170-I202 HydrophobicContact CB-CG1 4.36Å; M170-I202 HydrophobicContact CB-CG2 4.38Å; M170-I202 WeakPolarHBondContact O-CB 3.12Å |
| 171 | G | 91.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | 140 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E168 P169 R173 E204 | E168-G171 PolarHBondContact O-N 3.47Å; P169-G171 VanDerWaalsContact C-N 3.27Å; G171-R173 PolarHBondContact O-N 3.46Å; G171-R173 VanDerWaalsContact O-N 3.13Å; G171-E204 WeakPolarHBondContact CA-OE1 2.91Å; G171-E204 VanDerWaalsContact O-OE1 3.1Å |
| 172 | G | 89.8 | Confident | 93.7 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 56% | 0.557 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 1.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I202 E204 | G172-I202 WeakPolarHBondContact CA-O 3.49Å; G172-I202 PolarHBondContact N-O 3.38Å; G172-E204 PolarHBondContact N-OE1 3.45Å |
| 173 | R | 91.9 | Very high | 93.7 | Very high | 160 Ų | 160 | 36.9 Ų | 36.9 | 60% | 0.604 | 21% | 0.212 | S | C | * | . | trans | -119.1 | 148.2 | -175.3 | -62.2 | 176.7 | -170.2 | -168.7 | 3.3 | 112.2 | G171 F175 I202 | G171-R173 PolarHBondContact O-N 3.46Å; G171-R173 VanDerWaalsContact O-N 3.13Å; R173-F175 HydrophobicContact CB-CD2 4.4Å; R173-F175 HydrophobicContact CB-CE2 3.57Å; R173-F175 HydrophobicContact CB-CZ 3.84Å; R173-F175 WeakPolarHBondContact O-CD2 3.29Å; R173-I202 PolarHBondContact O-N 2.97Å; R173-I202 VanDerWaalsContact O-N 3.11Å | ||
| 174 | P | 94.7 | Very high | 93.7 | Very high | 69 Ų | 69 | 37 Ų | 37 | 45% | 0.448 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 139.1 | 170.4 | 32 | -32.6 | 0 | 0 | 0 | 111.1 | P133 T199 V200 | P133-P174 HydrophobicContact CG-CB 4.45Å; P133-P174 WeakPolarHBondContact CG-O 3.34Å; P174-T199 HydrophobicContact CB-CG2 3.74Å; P174-V200 CarbonylContact C-O 3.57Å; P174-V200 WeakPolarHBondContact CA-O 3.36Å |
| 175 | F | 95.1 | Very high | 93.6 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 147 | 174.4 | -65.2 | -82 | 0 | 0 | 0 | 110.5 | F130 I140 M170 R173 L177 T199 V200 I202 | F130-F175 HydrophobicContact CB-CB 4.43Å; F130-F175 HydrophobicContact CD1-CB 4.02Å; F130-F175 HydrophobicContact CG-CB 4.29Å; I140-F175 HydrophobicContact CD1-CD1 3.51Å; I140-F175 HydrophobicContact CD1-CE1 3.76Å; I140-F175 HydrophobicContact CG2-CE1 4.41Å; M170-F175 HydrophobicContact CB-CD2 4.35Å; M170-F175 HydrophobicContact CB-CE2 3.58Å; M170-F175 HydrophobicContact CB-CZ 3.9Å; M170-F175 HydrophobicContact CE-CB 4.36Å; M170-F175 HydrophobicContact CE-CD1 3.49Å; M170-F175 VanDerWaalsContact CE-CD1 3.49Å; M170-F175 HydrophobicContact CE-CD2 3.59Å; M170-F175 HydrophobicContact CE-CE1 3.5Å; M170-F175 HydrophobicContact CE-CE2 3.6Å; M170-F175 HydrophobicContact CE-CG 3.51Å; M170-F175 HydrophobicContact CE-CZ 3.54Å; M170-F175 HydrophobicContact CG-CE2 4.22Å; M170-F175 HydrophobicContact CG-CZ 4.1Å; M170-F175 VanDerWaalsContact O-CE2 3.27Å; M170-F175 WeakPolarHBondContact O-CE2 3.28Å; R173-F175 HydrophobicContact CB-CD2 4.4Å; R173-F175 HydrophobicContact CB-CE2 3.57Å; R173-F175 HydrophobicContact CB-CZ 3.84Å; R173-F175 WeakPolarHBondContact O-CD2 3.29Å; F175-L177 PolarHBondContact O-N 3.46Å; F175-T199 CarbonylContact O-C 3.5Å; F175-T199 VanDerWaalsContact O-CA 3.3Å; F175-T199 WeakPolarHBondContact O-CA 3.39Å; F175-V200 PolarHBondContact N-O 2.94Å; F175-V200 PolarHBondContact O-N 2.91Å; F175-I202 HydrophobicContact CD2-CG1 3.69Å; F175-I202 HydrophobicContact CE2-CG1 4.16Å |
| 176 | G | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 113.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | F130 R131 Y136 | F130-G176 CarbonylContact C-O 3.52Å; F130-G176 WeakPolarHBondContact CA-O 3.5Å; R131-G176 PolarHBondContact N-O 2.91Å; R131-G176 PolarHBondContact O-N 3.07Å; Y136-G176 VanDerWaalsContact CZ-CA 3.5Å; Y136-G176 VanDerWaalsContact OH-CA 3.3Å; Y136-G176 WeakPolarHBondContact OH-CA 3.22Å |
| 177 | L | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.7 | 171.8 | 176 | 60.8 | 0 | 0 | 0 | 108.6 | F95 F101 F130 F164 F175 I179 F196 N197 Q198 V200 | F95-L177 HydrophobicContact CE1-CD2 4.32Å; F95-L177 HydrophobicContact CZ-CD2 4.09Å; F101-L177 HydrophobicContact CE1-CD2 3.79Å; F101-L177 HydrophobicContact CZ-CD2 4.04Å; F130-L177 HydrophobicContact CD1-CB 4.15Å; F130-L177 HydrophobicContact CD1-CD1 3.96Å; F130-L177 HydrophobicContact CE1-CB 3.97Å; F130-L177 HydrophobicContact CE1-CD1 3.71Å; F130-L177 HydrophobicContact CE1-CG 4.29Å; F164-L177 HydrophobicContact CZ-CD1 4.11Å; F164-L177 HydrophobicContact CZ-CD2 4.15Å; F175-L177 PolarHBondContact O-N 3.46Å; L177-I179 HydrophobicContact CD1-CD1 4.5Å; L177-I179 HydrophobicContact CD1-CG1 4.19Å; L177-I179 HydrophobicContact CD2-CD1 4.23Å; L177-I179 HydrophobicContact CG-CD1 4.32Å; L177-I179 HydrophobicContact CG-CG1 4.27Å; L177-F196 HydrophobicContact CB-CD1 4.13Å; L177-F196 HydrophobicContact CB-CE1 3.98Å; L177-F196 HydrophobicContact CD2-CD1 3.87Å; L177-F196 HydrophobicContact CD2-CE1 3.77Å; L177-F196 HydrophobicContact CG-CD1 3.82Å; L177-F196 HydrophobicContact CG-CE1 4Å; L177-F196 WeakPolarHBondContact O-CD1 3.34Å; L177-N197 WeakPolarHBondContact O-CA 3.4Å; L177-Q198 PolarHBondContact N-O 3.29Å; L177-Q198 PolarHBondContact O-N 3.4Å; L177-V200 HydrophobicContact CB-CG1 4.14Å; L177-V200 HydrophobicContact CB-CG2 3.76Å; L177-V200 HydrophobicContact CD2-CG1 4.28Å; L177-V200 HydrophobicContact CD2-CG2 4.35Å |
| 178 | V | 95.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.2 | 176.1 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | A128 S129 R131 Y136 F196 | A128-V178 CarbonylContact C-O 3.53Å; A128-V178 WeakPolarHBondContact CA-O 3.33Å; S129-V178 PolarHBondContact N-O 2.95Å; S129-V178 PolarHBondContact O-N 3.35Å; R131-V178 HydrophobicContact CG-CG2 4.12Å; Y136-V178 HydrophobicContact CD1-CG2 3.42Å; Y136-V178 VanDerWaalsContact CD1-CG2 3.42Å; Y136-V178 HydrophobicContact CE1-CG2 3.7Å; V178-F196 CarbonylContact C-O 3.54Å; V178-F196 VanDerWaalsContact CA-O 3.3Å; V178-F196 WeakPolarHBondContact CA-O 3.28Å |
| 179 | I | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.8 | 174.4 | -58.7 | 167.3 | 0 | 0 | 0 | 107.2 | I93 F95 F109 L126 D127 A128 L177 A194 V195 F196 | I93-I179 HydrophobicContact CD1-CD1 3.48Å; I93-I179 VanDerWaalsContact CD1-CD1 3.48Å; F95-I179 HydrophobicContact CE1-CD1 4.5Å; F95-I179 HydrophobicContact CZ-CD1 4.24Å; F109-I179 HydrophobicContact CD1-CD1 4.07Å; F109-I179 HydrophobicContact CE1-CD1 3.52Å; F109-I179 HydrophobicContact CE1-CG1 4.32Å; F109-I179 HydrophobicContact CE2-CD1 4.16Å; F109-I179 HydrophobicContact CE2-CG2 4.06Å; F109-I179 HydrophobicContact CZ-CD1 3.57Å; F109-I179 HydrophobicContact CZ-CG1 4.13Å; F109-I179 HydrophobicContact CZ-CG2 3.79Å; L126-I179 HydrophobicContact CD2-CG2 4.17Å; L126-I179 HydrophobicContact CG-CG2 4.42Å; D127-I179 CarbonylContact O-C 3.56Å; D127-I179 WeakPolarHBondContact O-CA 3.45Å; A128-I179 HydrophobicContact CB-CG1 4.22Å; L177-I179 HydrophobicContact CD1-CD1 4.5Å; L177-I179 HydrophobicContact CD1-CG1 4.19Å; L177-I179 HydrophobicContact CD2-CD1 4.23Å; L177-I179 HydrophobicContact CG-CD1 4.32Å; L177-I179 HydrophobicContact CG-CG1 4.27Å; I179-A194 CarbonylContact O-C 3.53Å; I179-V195 PolarHBondContact O-N 3.14Å; I179-F196 HydrophobicContact CB-CB 3.98Å; I179-F196 HydrophobicContact CD1-CB 3.9Å; I179-F196 HydrophobicContact CD1-CD1 4.44Å; I179-F196 HydrophobicContact CD1-CG 4.38Å; I179-F196 HydrophobicContact CG1-CB 4.17Å; I179-F196 PolarHBondContact N-O 3.31Å; I179-F196 PolarHBondContact O-N 3.2Å |
| 180 | N | 95.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 138.1 | -180 | -65.2 | -39.8 | 0 | 0 | 0 | 109.8 | L126 D127 Q192 D193 A194 | L126-N180 WeakPolarHBondContact CA-O 3.39Å; D127-N180 PolarHBondContact N-O 3.09Å; D127-N180 PolarHBondContact O-N 2.97Å; N180-Q192 HydrophobicContact CB-CG 4.22Å; N180-Q192 VanDerWaalsContact CG-NE2 3.31Å; N180-Q192 PolarHBondContact ND2-NE2 2.87Å; N180-D193 CarbonylContact C-O 3.49Å; N180-D193 WeakPolarHBondContact CA-O 3.3Å; N180-A194 WeakPolarHBondContact OD1-CA 3.48Å |
| 181 | L | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.4 | 170.6 | -171 | 76 | 0 | 0 | 0 | 109.2 | T91 L111 F113 V123 L126 L148 Y183 Q192 D193 V195 | T91-L181 HydrophobicContact CG2-CD2 3.96Å; L111-L181 HydrophobicContact CD1-CB 4.38Å; L111-L181 HydrophobicContact CD1-CD1 4.2Å; L111-L181 HydrophobicContact CD2-CD1 3.94Å; L111-L181 HydrophobicContact CD2-CD2 3.81Å; L111-L181 HydrophobicContact CD2-CG 4.41Å; F113-L181 HydrophobicContact CB-CD2 4.41Å; F113-L181 HydrophobicContact CD2-CD2 3.49Å; F113-L181 VanDerWaalsContact CD2-CD2 3.49Å; F113-L181 HydrophobicContact CE2-CD2 4.16Å; F113-L181 HydrophobicContact CG-CD2 4.31Å; V123-L181 HydrophobicContact CG1-CD1 3.68Å; V123-L181 HydrophobicContact CG1-CD2 4.31Å; V123-L181 HydrophobicContact CG1-CG 4.12Å; L126-L181 HydrophobicContact CB-CD1 4.17Å; L126-L181 HydrophobicContact CD1-CD1 4.37Å; L126-L181 HydrophobicContact CG-CD1 4.43Å; L148-L181 HydrophobicContact CD1-CD1 4.29Å; L181-Y183 HydrophobicContact CD2-CD1 4.12Å; L181-Y183 HydrophobicContact CG-CD1 4.26Å; L181-Q192 WeakPolarHBondContact O-CA 3.38Å; L181-D193 PolarHBondContact N-O 2.91Å; L181-D193 PolarHBondContact O-N 3.28Å; L181-V195 HydrophobicContact CB-CG2 3.95Å |
| 182 | N | 96.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 43.5 Ų | 43.5 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.7 | 177.1 | -56.1 | -31.9 | 0 | 0 | 0 | 109.1 | E124 S125 D127 Q192 | E124-N182 PolarHBondContact N-O 3.02Å; S125-N182 PolarHBondContact N-O 3.42Å; S125-N182 PolarHBondContact O-N 3.06Å; S125-N182 PolarHBondContact OG-ND2 2.69Å; D127-N182 PolarHBondContact OD2-ND2 2.66Å; N182-Q192 VanDerWaalsContact OD1-CG 3.29Å; N182-Q192 WeakPolarHBondContact OD1-CG 3.47Å |
| 183 | Y | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 158.5 | -179.9 | 59.5 | -83.2 | 0 | 0 | 0 | 110.2 | S86 A89 F113 F121 M122 L181 F191 D193 | S86-Y183 PolarHBondContact N-OH 2.93Å; A89-Y183 HydrophobicContact CB-CE2 3.85Å; F113-Y183 HydrophobicContact CE2-CD1 4.03Å; F113-Y183 HydrophobicContact CE2-CD2 4.01Å; F113-Y183 HydrophobicContact CE2-CE1 4.12Å; F113-Y183 HydrophobicContact CE2-CE2 4.09Å; F113-Y183 AromaticContact CE2-CG 3.98Å; F113-Y183 HydrophobicContact CE2-CG 3.98Å; F113-Y183 HydrophobicContact CZ-CD2 4.06Å; F113-Y183 HydrophobicContact CZ-CE2 4.28Å; F113-Y183 HydrophobicContact CZ-CG 4.35Å; F121-Y183 AromaticContact CD1-CD2 3.79Å; F121-Y183 HydrophobicContact CD1-CD2 3.79Å; F121-Y183 HydrophobicContact CD1-CE2 4.13Å; F121-Y183 HydrophobicContact CE1-CD2 4.27Å; F121-Y183 HydrophobicContact CE1-CE2 4.17Å; F121-Y183 HydrophobicContact CG-CD2 4.24Å; M122-Y183 CarbonylContact O-C 3.57Å; M122-Y183 WeakPolarHBondContact O-CA 3.39Å; M122-Y183 WeakPolarHBondContact O-CB 3.29Å; L181-Y183 HydrophobicContact CD2-CD1 4.12Å; L181-Y183 HydrophobicContact CG-CD1 4.26Å; Y183-F191 HydrophobicContact CD1-CB 4.5Å; Y183-F191 HydrophobicContact CD2-CB 3.94Å; Y183-F191 HydrophobicContact CD2-CD2 4.36Å; Y183-F191 HydrophobicContact CE1-CB 4.1Å; Y183-F191 HydrophobicContact CE2-CB 3.48Å; Y183-F191 VanDerWaalsContact CE2-CB 3.48Å; Y183-F191 HydrophobicContact CE2-CD2 4.11Å; Y183-F191 HydrophobicContact CE2-CG 4.03Å; Y183-F191 HydrophobicContact CG-CB 4.42Å; Y183-F191 PolarHBondContact N-O 3.31Å; Y183-F191 WeakPolarHBondContact O-CA 3.3Å; Y183-F191 PolarHBondContact O-N 2.84Å; Y183-D193 HydrophobicContact CE1-CB 3.98Å |
| 184 | K | 95.6 | Very high | 94.5 | Very high | 60 Ų | 60 | 37.1 Ų | 37.1 | 26% | 0.261 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152.7 | 178.1 | 65.4 | -177 | 176.3 | -158 | 0 | 112.1 | F121 M122 E124 N189 | F121-K184 CarbonylContact C-O 3.56Å; F121-K184 WeakPolarHBondContact CA-O 3.33Å; M122-K184 HydrophobicContact CB-CG 3.98Å; M122-K184 PolarHBondContact N-O 2.86Å; M122-K184 PolarHBondContact O-N 2.82Å; M122-K184 WeakPolarHBondContact SD-CE 3.08Å; E124-K184 HydrophobicContact CG-CD 4.41Å; E124-K184 HydrophobicContact CG-CG 4.33Å; E124-K184 VanDerWaalsContact OE1-CD 3.22Å; E124-K184 WeakPolarHBondContact OE1-CD 3.35Å; E124-K184 WeakPolarHBondContact OE1-CE 3.3Å; E124-K184 IonicContact OE1-NZ 2.64Å; E124-K184 PolarHBondContact OE1-NZ 3.27Å; K184-N189 CarbonylContact C-O 3.57Å; K184-N189 WeakPolarHBondContact CA-O 3.47Å; K184-N189 VanDerWaalsContact CB-O 3.28Å; K184-N189 WeakPolarHBondContact CB-O 3.33Å |
| 185 | D | 94.3 | Very high | 94.5 | Very high | 24 Ų | 24 | 35 Ų | 35 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | trans | -82.8 | 173.2 | 173.7 | -154.3 | -6.2 | 0 | 0 | 0 | 111.5 | E119 F121 S187 G188 N189 F191 | E119-D185 WeakPolarHBondContact CB-OD1 3.41Å; F121-D185 HydrophobicContact CD1-CB 4.03Å; F121-D185 HydrophobicContact CE1-CB 3.77Å; D185-S187 PolarHBondContact O-N 3.11Å; D185-S187 VanDerWaalsContact O-N 3.16Å; D185-G188 PolarHBondContact O-N 2.83Å; D185-N189 PolarHBondContact N-O 2.8Å; D185-F191 HydrophobicContact CB-CE2 4Å | ||
| 186 | S | 91.3 | Very high | 94.5 | Very high | 83 Ų | 83 | 35.2 Ų | 35.2 | 58% | 0.58 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.8 | 177.5 | 85.2 | 0 | 0 | 0 | 0 | 113.3 | E119 N120 G188 | E119-S186 PolarHBondContact OE2-OG 2.84Å; N120-S186 PolarHBondContact O-N 3.5Å; S186-G188 VanDerWaalsContact C-N 3.28Å; S186-G188 PolarHBondContact O-N 3.48Å |
| 187 | S | 90.4 | Very high | 94.5 | Very high | 81 Ų | 81 | 39.4 Ų | 39.4 | 57% | 0.566 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -4.3 | 174.8 | -62.8 | 0 | 0 | 0 | 0 | 114.2 | D185 | D185-S187 PolarHBondContact O-N 3.11Å; D185-S187 VanDerWaalsContact O-N 3.16Å |
| 188 | G | 89.7 | Confident | 94.4 | Very high | 46 Ų | 46 | 45 Ų | 45 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | trans | 82.9 | 5.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D185 S186 V190 | D185-G188 PolarHBondContact O-N 2.83Å; S186-G188 VanDerWaalsContact C-N 3.28Å; S186-G188 PolarHBondContact O-N 3.48Å; G188-V190 PolarHBondContact O-N 3.13Å | ||
| 189 | N | 91.9 | Very high | 94.3 | Very high | 91 Ų | 91 | 48.3 Ų | 48.3 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | trans | -69.6 | 124.3 | 174 | -61.2 | -42.3 | 0 | 0 | 0 | 109.7 | K184 D185 F191 | K184-N189 CarbonylContact C-O 3.57Å; K184-N189 WeakPolarHBondContact CA-O 3.47Å; K184-N189 VanDerWaalsContact CB-O 3.28Å; K184-N189 WeakPolarHBondContact CB-O 3.33Å; D185-N189 PolarHBondContact N-O 2.8Å; N189-F191 HydrophobicContact CB-CE2 3.76Å; N189-F191 HydrophobicContact CB-CZ 3.92Å; N189-F191 WeakPolarHBondContact O-CD2 3.27Å; N189-F191 WeakPolarHBondContact O-CE2 3.4Å | ||
| 190 | V | 94.1 | Very high | 94.2 | Very high | 82 Ų | 82 | 48.8 Ų | 48.8 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 135.6 | 178 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | V83 G188 | V83-V190 HydrophobicContact CG1-CG1 4.32Å; V83-V190 WeakPolarHBondContact CG1-O 3.14Å; G188-V190 PolarHBondContact O-N 3.13Å |
| 191 | F | 95.3 | Very high | 94.1 | Very high | 42 Ų | 42 | 52.1 Ų | 52.1 | 18% | 0.184 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.8 | 175.8 | -60.9 | -78.9 | 0 | 0 | 0 | 108.9 | K84 F121 Y183 D185 N189 | K84-F191 WeakPolarHBondContact O-CD1 3.49Å; F121-F191 HydrophobicContact CE1-CD2 4.32Å; F121-F191 HydrophobicContact CE1-CE2 4.3Å; Y183-F191 HydrophobicContact CD1-CB 4.5Å; Y183-F191 HydrophobicContact CD2-CB 3.94Å; Y183-F191 HydrophobicContact CD2-CD2 4.36Å; Y183-F191 HydrophobicContact CE1-CB 4.1Å; Y183-F191 HydrophobicContact CE2-CB 3.48Å; Y183-F191 VanDerWaalsContact CE2-CB 3.48Å; Y183-F191 HydrophobicContact CE2-CD2 4.11Å; Y183-F191 HydrophobicContact CE2-CG 4.03Å; Y183-F191 HydrophobicContact CG-CB 4.42Å; Y183-F191 PolarHBondContact N-O 3.31Å; Y183-F191 WeakPolarHBondContact O-CA 3.3Å; Y183-F191 PolarHBondContact O-N 2.84Å; D185-F191 HydrophobicContact CB-CE2 4Å; N189-F191 HydrophobicContact CB-CE2 3.76Å; N189-F191 HydrophobicContact CB-CZ 3.92Å; N189-F191 WeakPolarHBondContact O-CD2 3.27Å; N189-F191 WeakPolarHBondContact O-CE2 3.4Å |
| 192 | Q | 95.7 | Very high | 94 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.6 | 178.8 | 178.5 | 173.1 | -16.9 | 0 | 0 | 107.7 | V83 K84 A85 N180 L181 N182 | V83-Q192 HydrophobicContact CB-CB 3.87Å; V83-Q192 HydrophobicContact CG1-CB 3.67Å; V83-Q192 VanDerWaalsContact CG1-N 3.33Å; K84-Q192 CarbonylContact C-O 3.53Å; K84-Q192 PolarHBondContact O-N 3.02Å; A85-Q192 WeakPolarHBondContact CA-O 3.19Å; A85-Q192 PolarHBondContact N-O 3Å; N180-Q192 HydrophobicContact CB-CG 4.22Å; N180-Q192 VanDerWaalsContact CG-NE2 3.31Å; N180-Q192 PolarHBondContact ND2-NE2 2.87Å; L181-Q192 WeakPolarHBondContact O-CA 3.38Å; N182-Q192 VanDerWaalsContact OD1-CG 3.29Å; N182-Q192 WeakPolarHBondContact OD1-CG 3.47Å |
| 193 | D | 95.3 | Very high | 93.8 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126 | 178 | -170.6 | 16.5 | 0 | 0 | 0 | 110.5 | A85 T91 N180 L181 Y183 V195 | A85-D193 HydrophobicContact CB-CB 3.81Å; T91-D193 WeakPolarHBondContact CB-OD2 3.22Å; T91-D193 HydrophobicContact CG2-CB 4.36Å; T91-D193 WeakPolarHBondContact CG2-OD2 3.28Å; T91-D193 PolarHBondContact OG1-OD2 2.75Å; N180-D193 CarbonylContact C-O 3.49Å; N180-D193 WeakPolarHBondContact CA-O 3.3Å; L181-D193 PolarHBondContact N-O 2.91Å; L181-D193 PolarHBondContact O-N 3.28Å; Y183-D193 HydrophobicContact CE1-CB 3.98Å; D193-V195 VanDerWaalsContact C-N 3.27Å; D193-V195 HydrophobicContact CB-CG2 4.33Å; D193-V195 PolarHBondContact O-N 3.45Å |
| 194 | A | 94.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 60 Ų | 60 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 74.1 | 177 | 0 | 0 | 0 | 0 | 0 | 109.2 | I179 N180 F196 | I179-A194 CarbonylContact O-C 3.53Å; N180-A194 WeakPolarHBondContact OD1-CA 3.48Å; A194-F196 PolarHBondContact O-N 2.96Å |
| 195 | V | 94.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 63.4 Ų | 63.4 | 14% | 0.139 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | -33.7 | -172.8 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | T91 I93 L111 I179 L181 D193 | T91-V195 HydrophobicContact CG2-CG2 3.9Å; I93-V195 HydrophobicContact CB-CG1 3.9Å; I93-V195 HydrophobicContact CG2-CG1 4.24Å; L111-V195 HydrophobicContact CD1-CB 4.08Å; L111-V195 HydrophobicContact CD1-CG1 3.98Å; L111-V195 HydrophobicContact CD1-CG2 3.83Å; L111-V195 HydrophobicContact CG-CG1 4.39Å; I179-V195 PolarHBondContact O-N 3.14Å; L181-V195 HydrophobicContact CB-CG2 3.95Å; D193-V195 VanDerWaalsContact C-N 3.27Å; D193-V195 HydrophobicContact CB-CG2 4.33Å; D193-V195 PolarHBondContact O-N 3.45Å |
| 196 | F | 95 | Very high | 91.4 | Very high | 25 Ų | 25 | 70.7 Ų | 70.7 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 127.7 | 172.3 | -166 | -96 | 0 | 0 | 0 | 109.6 | I93 F95 L177 V178 I179 A194 Q198 V200 | I93-F196 HydrophobicContact CD1-CB 3.99Å; I93-F196 HydrophobicContact CD1-CG 4.47Å; I93-F196 HydrophobicContact CG2-CD2 4.16Å; F95-F196 HydrophobicContact CE2-CD2 4.01Å; F95-F196 AromaticContact CE2-CE2 3.75Å; F95-F196 HydrophobicContact CE2-CE2 3.75Å; F95-F196 HydrophobicContact CE2-CZ 4.06Å; F95-F196 HydrophobicContact CZ-CD1 4.42Å; F95-F196 HydrophobicContact CZ-CD2 4.3Å; F95-F196 HydrophobicContact CZ-CE1 4.37Å; F95-F196 HydrophobicContact CZ-CE2 4.25Å; F95-F196 HydrophobicContact CZ-CG 4.38Å; F95-F196 HydrophobicContact CZ-CZ 4.27Å; L177-F196 HydrophobicContact CB-CD1 4.13Å; L177-F196 HydrophobicContact CB-CE1 3.98Å; L177-F196 HydrophobicContact CD2-CD1 3.87Å; L177-F196 HydrophobicContact CD2-CE1 3.77Å; L177-F196 HydrophobicContact CG-CD1 3.82Å; L177-F196 HydrophobicContact CG-CE1 4Å; L177-F196 WeakPolarHBondContact O-CD1 3.34Å; V178-F196 CarbonylContact C-O 3.54Å; V178-F196 VanDerWaalsContact CA-O 3.3Å; V178-F196 WeakPolarHBondContact CA-O 3.28Å; I179-F196 HydrophobicContact CB-CB 3.98Å; I179-F196 HydrophobicContact CD1-CB 3.9Å; I179-F196 HydrophobicContact CD1-CD1 4.44Å; I179-F196 HydrophobicContact CD1-CG 4.38Å; I179-F196 HydrophobicContact CG1-CB 4.17Å; I179-F196 PolarHBondContact N-O 3.31Å; I179-F196 PolarHBondContact O-N 3.2Å; A194-F196 PolarHBondContact O-N 2.96Å; F196-Q198 HydrophobicContact CE1-CB 3.77Å; F196-Q198 HydrophobicContact CE1-CG 4.43Å; F196-Q198 HydrophobicContact CE2-CB 4.36Å; F196-Q198 HydrophobicContact CE2-CG 4.27Å; F196-Q198 HydrophobicContact CZ-CB 3.7Å; F196-Q198 HydrophobicContact CZ-CG 4.11Å; F196-V200 HydrophobicContact CE1-CG1 3.85Å; F196-V200 HydrophobicContact CZ-CG1 4.06Å |
| 197 | N | 94.1 | Very high | 90.4 | Very high | 88 Ų | 88 | 72.7 Ų | 72.7 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 79.3 | 178.8 | -173.8 | -7.1 | 0 | 0 | 0 | 108.6 | Y136 L177 | Y136-N197 WeakPolarHBondContact CD1-OD1 3.29Å; Y136-N197 WeakPolarHBondContact CE1-OD1 3.39Å; L177-N197 WeakPolarHBondContact O-CA 3.4Å |
| 198 | Q | 93.6 | Very high | 89.2 | Confident | 116 Ų | 116 | 72.7 Ų | 72.7 | 54% | 0.542 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 155.4 | -176.2 | -61.5 | -175.4 | -10 | 0 | 0 | 111.4 | L177 F196 | L177-Q198 PolarHBondContact N-O 3.29Å; L177-Q198 PolarHBondContact O-N 3.4Å; F196-Q198 HydrophobicContact CE1-CB 3.77Å; F196-Q198 HydrophobicContact CE1-CG 4.43Å; F196-Q198 HydrophobicContact CE2-CB 4.36Å; F196-Q198 HydrophobicContact CE2-CG 4.27Å; F196-Q198 HydrophobicContact CZ-CB 3.7Å; F196-Q198 HydrophobicContact CZ-CG 4.11Å |
| 199 | T | 94.6 | Very high | 88.4 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 44% | 0.442 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 121.1 | 174.8 | -56 | 0 | 0 | 0 | 0 | 109.8 | P133 Y136 P174 F175 | P133-T199 HydrophobicContact CB-CG2 3.91Å; P133-T199 HydrophobicContact CG-CG2 4.11Å; Y136-T199 PolarHBondContact OH-N 3.44Å; Y136-T199 VanDerWaalsContact OH-N 3.13Å; Y136-T199 PolarHBondContact OH-OG1 3.45Å; P174-T199 HydrophobicContact CB-CG2 3.74Å; F175-T199 CarbonylContact O-C 3.5Å; F175-T199 VanDerWaalsContact O-CA 3.3Å; F175-T199 WeakPolarHBondContact O-CA 3.39Å |
| 200 | V | 93.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 76.2 Ų | 76.2 | 7% | 0.067 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 147.9 | 177.6 | -59 | 0 | 0 | 0 | 0 | 110.1 | F101 F130 P174 F175 L177 F196 I202 | F101-V200 HydrophobicContact CD2-CB 3.72Å; F101-V200 HydrophobicContact CD2-CG1 4.08Å; F101-V200 HydrophobicContact CD2-CG2 4.16Å; F101-V200 HydrophobicContact CE2-CB 3.71Å; F101-V200 HydrophobicContact CE2-CG1 3.51Å; F101-V200 HydrophobicContact CE2-CG2 4.34Å; F101-V200 HydrophobicContact CG-CB 4.41Å; F101-V200 HydrophobicContact CG-CG2 4.36Å; F101-V200 HydrophobicContact CZ-CB 4.39Å; F101-V200 HydrophobicContact CZ-CG1 3.9Å; F130-V200 HydrophobicContact CE1-CG2 4.03Å; P174-V200 CarbonylContact C-O 3.57Å; P174-V200 WeakPolarHBondContact CA-O 3.36Å; F175-V200 PolarHBondContact N-O 2.94Å; F175-V200 PolarHBondContact O-N 2.91Å; L177-V200 HydrophobicContact CB-CG1 4.14Å; L177-V200 HydrophobicContact CB-CG2 3.76Å; L177-V200 HydrophobicContact CD2-CG1 4.28Å; L177-V200 HydrophobicContact CD2-CG2 4.35Å; F196-V200 HydrophobicContact CE1-CG1 3.85Å; F196-V200 HydrophobicContact CZ-CG1 4.06Å; V200-I202 HydrophobicContact CG2-CD1 4.27Å |
| 201 | T | 93.9 | Very high | 87.5 | Confident | 83 Ų | 83 | 74.4 Ų | 74.4 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.4 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 109.2 | ||
| 202 | I | 94.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 123.5 | 177.2 | -53.8 | -57 | 0 | 0 | 0 | 108.2 | F101 A103 F130 P166 M170 G172 R173 F175 V200 | F101-I202 HydrophobicContact CB-CD1 3.59Å; F101-I202 HydrophobicContact CG-CD1 4.42Å; F101-I202 CarbonylContact O-C 3.58Å; F101-I202 VanDerWaalsContact O-CA 3.25Å; F101-I202 WeakPolarHBondContact O-CA 3.26Å; F101-I202 WeakPolarHBondContact O-CG2 3.47Å; A103-I202 HydrophobicContact CB-CG2 3.8Å; F130-I202 HydrophobicContact CE1-CD1 4.19Å; F130-I202 HydrophobicContact CE2-CD1 4.19Å; F130-I202 HydrophobicContact CZ-CD1 3.56Å; F130-I202 HydrophobicContact CZ-CG1 4.45Å; P166-I202 HydrophobicContact CB-CD1 4.2Å; P166-I202 HydrophobicContact CB-CG2 4.11Å; P166-I202 HydrophobicContact CG-CD1 4.26Å; M170-I202 HydrophobicContact CB-CG1 4.36Å; M170-I202 HydrophobicContact CB-CG2 4.38Å; M170-I202 WeakPolarHBondContact O-CB 3.12Å; G172-I202 WeakPolarHBondContact CA-O 3.49Å; G172-I202 PolarHBondContact N-O 3.38Å; R173-I202 PolarHBondContact O-N 2.97Å; R173-I202 VanDerWaalsContact O-N 3.11Å; F175-I202 HydrophobicContact CD2-CG1 3.69Å; F175-I202 HydrophobicContact CE2-CG1 4.16Å; V200-I202 HydrophobicContact CG2-CD1 4.27Å |
| 203 | T | 92.1 | Very high | 86.7 | Confident | 57 Ų | 57 | 79.3 Ų | 79.3 | 35% | 0.35 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 133.6 | 178.8 | 52 | 0 | 0 | 0 | 0 | 109.7 | F101 P102 A103 K205 | F101-T203 PolarHBondContact O-N 3.27Å; F101-T203 PolarHBondContact O-OG1 3.4Å; P102-T203 CarbonylContact C-O 3.55Å; P102-T203 WeakPolarHBondContact CA-O 3.46Å; P102-T203 WeakPolarHBondContact CA-OG1 3.46Å; A103-T203 PolarHBondContact N-O 3.2Å; T203-K205 PolarHBondContact O-N 3.04Å |
| 204 | E | 88.4 | Confident | 86.5 | Confident | 129 Ų | 129 | 81.6 Ų | 81.6 | 60% | 0.603 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -73 | 128.2 | 168.8 | -74.6 | 171.6 | -169.9 | 0 | 0 | 107.9 | G171 G172 E206 | G171-E204 WeakPolarHBondContact CA-OE1 2.91Å; G171-E204 VanDerWaalsContact O-OE1 3.1Å; G172-E204 PolarHBondContact N-OE1 3.45Å; E204-E206 PolarHBondContact O-N 3.5Å |
| 205 | K | 76.3 | Confident | 86.4 | Confident | 132 Ų | 132 | 85.8 Ų | 85.8 | 57% | 0.574 | 47% | 0.466 | S | S | * | . | trans | -75.5 | 112 | 161.9 | -178.1 | 169 | 177.4 | 169.4 | 0 | 105.8 | T203 D207 | T203-K205 PolarHBondContact O-N 3.04Å; K205-D207 VanDerWaalsContact C-N 3.28Å; K205-D207 PolarHBondContact O-N 3.04Å | ||
| 206 | E | 70.3 | Confident | 86.3 | Confident | 178 Ų | 178 | 89 Ų | 89 | 83% | 0.832 | 48% | 0.48 | S | S | * | . | trans | -60.9 | 99.5 | 164 | -66 | 176.6 | -172.9 | 0 | 0 | 106.3 | E204 G208 | E204-E206 PolarHBondContact O-N 3.5Å; E206-G208 VanDerWaalsContact C-N 3.32Å; E206-G208 PolarHBondContact O-N 3.03Å | ||
| 207 | D | 69.9 | Low | 86.2 | Confident | 125 Ų | 125 | 94.8 Ų | 94.8 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | trans | -57.3 | 108.7 | 160.2 | -91.6 | -13.3 | 0 | 0 | 0 | 104.4 | K205 L209 | K205-D207 VanDerWaalsContact C-N 3.28Å; K205-D207 PolarHBondContact O-N 3.04Å; D207-L209 PolarHBondContact O-N 3.2Å | ||
| 208 | G | 65.5 | Low | 86.2 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 84% | 0.835 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -63.6 | 16 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | E206 D210 | E206-G208 VanDerWaalsContact C-N 3.32Å; E206-G208 PolarHBondContact O-N 3.03Å; G208-D210 VanDerWaalsContact C-N 3.31Å; G208-D210 PolarHBondContact O-N 2.92Å |
| 209 | L | 73 | Confident | 86.3 | Confident | 132 Ų | 132 | 95.2 Ų | 95.2 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | trans | -87.7 | 74.3 | 167 | -157.4 | 145.6 | 0 | 0 | 0 | 108.1 | D207 G211 I214 | D207-L209 PolarHBondContact O-N 3.2Å; L209-G211 PolarHBondContact O-N 3.13Å; L209-I214 HydrophobicContact CD1-CD1 4.36Å; L209-I214 HydrophobicContact CD2-CD1 3.44Å; L209-I214 VanDerWaalsContact CD2-CD1 3.44Å; L209-I214 HydrophobicContact CG-CD1 3.46Å; L209-I214 VanDerWaalsContact CG-CD1 3.46Å | ||
| 210 | D | 81.8 | Confident | 86.3 | Confident | 78 Ų | 78 | 96.8 Ų | 96.8 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | trans | -66.4 | 98.9 | 170.7 | 177 | 20.8 | 0 | 0 | 0 | 109.2 | G208 E212 T213 I214 | G208-D210 VanDerWaalsContact C-N 3.31Å; G208-D210 PolarHBondContact O-N 2.92Å; D210-E212 PolarHBondContact O-N 3.46Å; D210-E212 VanDerWaalsContact OD1-CB 3.29Å; D210-E212 WeakPolarHBondContact OD1-CB 3.39Å; D210-E212 PolarHBondContact OD1-N 2.7Å; D210-E212 VanDerWaalsContact OD1-N 3.07Å; D210-T213 PolarHBondContact O-N 3.3Å; D210-T213 VanDerWaalsContact O-N 3.15Å; D210-T213 VanDerWaalsContact OD2-CB 3.23Å; D210-T213 WeakPolarHBondContact OD2-CB 3.38Å; D210-T213 PolarHBondContact OD2-N 2.98Å; D210-T213 PolarHBondContact OD2-OG1 2.93Å; D210-I214 WeakPolarHBondContact O-CG1 3.46Å; D210-I214 PolarHBondContact O-N 3.39Å | ||
| 211 | G | 85.8 | Confident | 86.3 | Confident | 44 Ų | 44 | 99.6 Ų | 99.6 | 45% | 0.454 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.6 | -28.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L209 F215 | L209-G211 PolarHBondContact O-N 3.13Å; G211-F215 WeakPolarHBondContact O-CB 3.38Å; G211-F215 PolarHBondContact O-N 3.44Å |
| 212 | E | 87 | Confident | 86.4 | Confident | 154 Ų | 154 | 97.4 Ų | 97.4 | 72% | 0.72 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.9 | -51.2 | 175.1 | -174.7 | 178.8 | 153.8 | 0 | 0 | 110.7 | D210 I214 F215 M216 | D210-E212 PolarHBondContact O-N 3.46Å; D210-E212 VanDerWaalsContact OD1-CB 3.29Å; D210-E212 WeakPolarHBondContact OD1-CB 3.39Å; D210-E212 PolarHBondContact OD1-N 2.7Å; D210-E212 VanDerWaalsContact OD1-N 3.07Å; E212-I214 VanDerWaalsContact C-N 3.34Å; E212-I214 PolarHBondContact O-N 3.26Å; E212-F215 PolarHBondContact O-N 2.99Å; E212-M216 WeakPolarHBondContact O-CB 3.23Å; E212-M216 PolarHBondContact O-N 3.35Å |
| 213 | T | 86.3 | Confident | 86.5 | Confident | 57 Ų | 57 | 101.3 Ų | 101.3 | 35% | 0.35 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 177.1 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | D210 M216 Y217 | D210-T213 PolarHBondContact O-N 3.3Å; D210-T213 VanDerWaalsContact O-N 3.15Å; D210-T213 VanDerWaalsContact OD2-CB 3.23Å; D210-T213 WeakPolarHBondContact OD2-CB 3.38Å; D210-T213 PolarHBondContact OD2-N 2.98Å; D210-T213 PolarHBondContact OD2-OG1 2.93Å; T213-M216 PolarHBondContact O-N 3.43Å; T213-Y217 HydrophobicContact CG2-CD2 3.76Å; T213-Y217 HydrophobicContact CG2-CE2 3.3Å; T213-Y217 WeakPolarHBondContact O-CD2 3.22Å; T213-Y217 PolarHBondContact O-N 3.22Å |
| 214 | I | 90.6 | Very high | 86.6 | Confident | 77 Ų | 77 | 100.1 Ų | 100.1 | 40% | 0.395 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 177.6 | -69.3 | 167.6 | 0 | 0 | 0 | 110.6 | L209 D210 E212 M216 Y217 V218 | L209-I214 HydrophobicContact CD1-CD1 4.36Å; L209-I214 HydrophobicContact CD2-CD1 3.44Å; L209-I214 VanDerWaalsContact CD2-CD1 3.44Å; L209-I214 HydrophobicContact CG-CD1 3.46Å; L209-I214 VanDerWaalsContact CG-CD1 3.46Å; D210-I214 WeakPolarHBondContact O-CG1 3.46Å; D210-I214 PolarHBondContact O-N 3.39Å; E212-I214 VanDerWaalsContact C-N 3.34Å; E212-I214 PolarHBondContact O-N 3.26Å; I214-M216 VanDerWaalsContact C-N 3.32Å; I214-M216 PolarHBondContact O-N 3.03Å; I214-Y217 PolarHBondContact O-N 3.15Å; I214-V218 WeakPolarHBondContact O-CG2 3.14Å; I214-V218 PolarHBondContact O-N 2.82Å |
| 215 | F | 92.4 | Very high | 86.9 | Confident | 140 Ų | 140 | 99.3 Ų | 99.3 | 61% | 0.614 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 175.6 | 175.1 | -102 | 0 | 0 | 0 | 111.4 | G211 E212 Y217 V218 F219 | G211-F215 WeakPolarHBondContact O-CB 3.38Å; G211-F215 PolarHBondContact O-N 3.44Å; E212-F215 PolarHBondContact O-N 2.99Å; F215-Y217 VanDerWaalsContact C-N 3.33Å; F215-Y217 PolarHBondContact O-N 2.94Å; F215-V218 PolarHBondContact O-N 3.32Å; F215-F219 HydrophobicContact CE1-CB 4.47Å; F215-F219 HydrophobicContact CZ-CB 4.46Å; F215-F219 HydrophobicContact CZ-CD2 4.42Å; F215-F219 VanDerWaalsContact O-CB 3.22Å; F215-F219 WeakPolarHBondContact O-CB 3.14Å; F215-F219 PolarHBondContact O-N 3.07Å |
| 216 | M | 92.9 | Very high | 87.8 | Confident | 89 Ų | 89 | 98.6 Ų | 98.6 | 44% | 0.438 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.2 | -46.5 | 176.9 | -173.1 | -148.3 | 65.4 | 0 | 0 | 110.9 | E212 T213 I214 F219 L220 | E212-M216 WeakPolarHBondContact O-CB 3.23Å; E212-M216 PolarHBondContact O-N 3.35Å; T213-M216 PolarHBondContact O-N 3.43Å; I214-M216 VanDerWaalsContact C-N 3.32Å; I214-M216 PolarHBondContact O-N 3.03Å; M216-F219 PolarHBondContact O-N 2.58Å; M216-L220 VanDerWaalsContact O-CB 3.24Å; M216-L220 WeakPolarHBondContact O-CB 3.3Å; M216-L220 PolarHBondContact O-N 3.49Å |
| 217 | Y | 92.7 | Very high | 88.9 | Confident | 147 Ų | 147 | 93.9 Ų | 93.9 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.7 | -42.7 | 178.6 | -72.1 | -52.4 | 0 | 0 | 0 | 113.2 | T213 I214 F215 L220 S221 | T213-Y217 HydrophobicContact CG2-CD2 3.76Å; T213-Y217 HydrophobicContact CG2-CE2 3.3Å; T213-Y217 WeakPolarHBondContact O-CD2 3.22Å; T213-Y217 PolarHBondContact O-N 3.22Å; I214-Y217 PolarHBondContact O-N 3.15Å; F215-Y217 VanDerWaalsContact C-N 3.33Å; F215-Y217 PolarHBondContact O-N 2.94Å; Y217-L220 PolarHBondContact O-N 2.81Å; Y217-S221 WeakPolarHBondContact O-CB 3.24Å; Y217-S221 PolarHBondContact O-N 3.44Å |
| 218 | V | 94.6 | Very high | 90.1 | Very high | 91 Ų | 91 | 93.1 Ų | 93.1 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -46.5 | 176.2 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | I214 F215 L220 S221 G222 | I214-V218 WeakPolarHBondContact O-CG2 3.14Å; I214-V218 PolarHBondContact O-N 2.82Å; F215-V218 PolarHBondContact O-N 3.32Å; V218-L220 PolarHBondContact O-N 3.31Å; V218-S221 PolarHBondContact O-N 3.01Å; V218-S221 PolarHBondContact O-OG 3.49Å; V218-G222 PolarHBondContact O-N 2.86Å |
| 219 | F | 95.6 | Very high | 91.4 | Very high | 123 Ų | 123 | 93.3 Ų | 93.3 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 178 | -176.9 | -102.5 | 0 | 0 | 0 | 112.1 | F215 M216 S221 G222 L223 | F215-F219 HydrophobicContact CE1-CB 4.47Å; F215-F219 HydrophobicContact CZ-CB 4.46Å; F215-F219 HydrophobicContact CZ-CD2 4.42Å; F215-F219 VanDerWaalsContact O-CB 3.22Å; F215-F219 WeakPolarHBondContact O-CB 3.14Å; F215-F219 PolarHBondContact O-N 3.07Å; M216-F219 PolarHBondContact O-N 2.58Å; F219-S221 VanDerWaalsContact C-N 3.32Å; F219-S221 PolarHBondContact O-N 3.34Å; F219-G222 PolarHBondContact O-N 3.32Å; F219-L223 WeakPolarHBondContact O-CB 3.29Å; F219-L223 PolarHBondContact O-N 2.91Å |
| 220 | L | 94.6 | Very high | 92.2 | Very high | 104 Ų | 104 | 88.7 Ų | 88.7 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 178.6 | -154.4 | 73.2 | 0 | 0 | 0 | 111.5 | M216 Y217 V218 L223 G224 | M216-L220 VanDerWaalsContact O-CB 3.24Å; M216-L220 WeakPolarHBondContact O-CB 3.3Å; M216-L220 PolarHBondContact O-N 3.49Å; Y217-L220 PolarHBondContact O-N 2.81Å; V218-L220 PolarHBondContact O-N 3.31Å; L220-L223 PolarHBondContact O-N 2.97Å; L220-G224 PolarHBondContact O-N 3.31Å |
| 221 | S | 94.4 | Very high | 92.7 | Very high | 70 Ų | 70 | 89.6 Ų | 89.6 | 49% | 0.49 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 173.7 | 81.1 | 0 | 0 | 0 | 0 | 111.9 | Y217 V218 F219 G224 L225 | Y217-S221 WeakPolarHBondContact O-CB 3.24Å; Y217-S221 PolarHBondContact O-N 3.44Å; V218-S221 PolarHBondContact O-N 3.01Å; V218-S221 PolarHBondContact O-OG 3.49Å; F219-S221 VanDerWaalsContact C-N 3.32Å; F219-S221 PolarHBondContact O-N 3.34Å; S221-G224 PolarHBondContact O-N 3.48Å; S221-L225 WeakPolarHBondContact O-CG 3.49Å; S221-L225 PolarHBondContact O-N 3.49Å |
| 222 | G | 95.9 | Very high | 92.9 | Very high | 37 Ų | 37 | 92.5 Ų | 92.5 | 38% | 0.381 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V218 F219 G224 L225 L226 | V218-G222 PolarHBondContact O-N 2.86Å; F219-G222 PolarHBondContact O-N 3.32Å; G222-G224 VanDerWaalsContact C-N 3.35Å; G222-G224 PolarHBondContact O-N 2.88Å; G222-L225 PolarHBondContact O-N 2.85Å; G222-L226 WeakPolarHBondContact O-CB 3.39Å; G222-L226 PolarHBondContact O-N 2.99Å |
| 223 | L | 95.8 | Very high | 93 | Very high | 82 Ų | 82 | 91.2 Ų | 91.2 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 175.2 | -173.1 | 65.2 | 0 | 0 | 0 | 111.3 | F219 L220 L225 L226 V227 | F219-L223 WeakPolarHBondContact O-CB 3.29Å; F219-L223 PolarHBondContact O-N 2.91Å; L220-L223 PolarHBondContact O-N 2.97Å; L223-L225 PolarHBondContact O-N 3.21Å; L223-L226 WeakPolarHBondContact O-CB 3.32Å; L223-L226 PolarHBondContact O-N 3.5Å; L223-V227 WeakPolarHBondContact O-CG2 3.45Å; L223-V227 PolarHBondContact O-N 3.44Å |
| 224 | G | 94.8 | Very high | 92.9 | Very high | 32 Ų | 32 | 93.4 Ų | 93.4 | 33% | 0.33 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L220 S221 G222 L226 V227 I228 | L220-G224 PolarHBondContact O-N 3.31Å; S221-G224 PolarHBondContact O-N 3.48Å; G222-G224 VanDerWaalsContact C-N 3.35Å; G222-G224 PolarHBondContact O-N 2.88Å; G224-L226 VanDerWaalsContact C-N 3.35Å; G224-L226 PolarHBondContact O-N 3.5Å; G224-V227 PolarHBondContact O-N 3.48Å; G224-I228 VanDerWaalsContact O-CG1 3.3Å; G224-I228 WeakPolarHBondContact O-CG1 3.44Å; G224-I228 PolarHBondContact O-N 2.93Å |
| 225 | L | 94.9 | Very high | 92.6 | Very high | 112 Ų | 112 | 94.7 Ų | 94.7 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 174.5 | -72.7 | 172.9 | 0 | 0 | 0 | 111.9 | S221 G222 L223 V227 I228 V229 | S221-L225 WeakPolarHBondContact O-CG 3.49Å; S221-L225 PolarHBondContact O-N 3.49Å; G222-L225 PolarHBondContact O-N 2.85Å; L223-L225 PolarHBondContact O-N 3.21Å; L225-V227 PolarHBondContact O-N 3.39Å; L225-I228 PolarHBondContact O-N 3.25Å; L225-V229 WeakPolarHBondContact O-CG2 3.38Å; L225-V229 PolarHBondContact O-N 2.89Å |
| 226 | L | 94.6 | Very high | 91.7 | Very high | 118 Ų | 118 | 92.9 Ų | 92.9 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 177.3 | -158.5 | 170.2 | 0 | 0 | 0 | 111 | G222 L223 G224 I228 V229 G230 | G222-L226 WeakPolarHBondContact O-CB 3.39Å; G222-L226 PolarHBondContact O-N 2.99Å; L223-L226 WeakPolarHBondContact O-CB 3.32Å; L223-L226 PolarHBondContact O-N 3.5Å; G224-L226 VanDerWaalsContact C-N 3.35Å; G224-L226 PolarHBondContact O-N 3.5Å; L226-I228 PolarHBondContact O-N 3.39Å; L226-V229 PolarHBondContact O-N 3.22Å; L226-G230 PolarHBondContact O-N 2.88Å |
| 227 | V | 94.5 | Very high | 90.4 | Very high | 78 Ų | 78 | 92 Ų | 92 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | L223 G224 L225 G230 L231 | L223-V227 WeakPolarHBondContact O-CG2 3.45Å; L223-V227 PolarHBondContact O-N 3.44Å; G224-V227 PolarHBondContact O-N 3.48Å; L225-V227 PolarHBondContact O-N 3.39Å; V227-G230 PolarHBondContact O-N 3.23Å; V227-L231 HydrophobicContact CG1-CD1 3.87Å; V227-L231 HydrophobicContact CG1-CG 4.36Å; V227-L231 WeakPolarHBondContact O-CB 3.49Å; V227-L231 VanDerWaalsContact O-CG 3.27Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.44Å |
| 228 | I | 93.7 | Very high | 89.1 | Confident | 110 Ų | 110 | 94.7 Ų | 94.7 | 56% | 0.564 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -46.7 | 177.3 | -67.7 | 164.7 | 0 | 0 | 0 | 110.8 | G224 L225 L226 L231 H232 | G224-I228 VanDerWaalsContact O-CG1 3.3Å; G224-I228 WeakPolarHBondContact O-CG1 3.44Å; G224-I228 PolarHBondContact O-N 2.93Å; L225-I228 PolarHBondContact O-N 3.25Å; L226-I228 PolarHBondContact O-N 3.39Å; I228-L231 PolarHBondContact O-N 2.84Å; I228-H232 WeakPolarHBondContact O-CB 3.27Å; I228-H232 PolarHBondContact O-N 2.89Å |
| 229 | V | 92.9 | Very high | 87.4 | Confident | 84 Ų | 84 | 98.1 Ų | 98.1 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | L225 L226 H232 Q233 | L225-V229 WeakPolarHBondContact O-CG2 3.38Å; L225-V229 PolarHBondContact O-N 2.89Å; L226-V229 PolarHBondContact O-N 3.22Å; V229-H232 WeakPolarHBondContact O-CB 3.34Å; V229-H232 PolarHBondContact O-N 3.38Å; V229-Q233 HydrophobicContact CG1-CG 4.27Å; V229-Q233 WeakPolarHBondContact O-CB 3.49Å; V229-Q233 WeakPolarHBondContact O-CG 3.19Å; V229-Q233 PolarHBondContact O-N 2.74Å |
| 230 | G | 91.4 | Very high | 85.6 | Confident | 36 Ų | 36 | 103.2 Ų | 103.2 | 37% | 0.371 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L226 V227 Q233 L234 | L226-G230 PolarHBondContact O-N 2.88Å; V227-G230 PolarHBondContact O-N 3.23Å; G230-Q233 PolarHBondContact O-N 3.29Å; G230-L234 VanDerWaalsContact O-CB 3.32Å; G230-L234 WeakPolarHBondContact O-CB 3.43Å; G230-L234 PolarHBondContact O-N 3.49Å |
| 231 | L | 91.8 | Very high | 83.9 | Confident | 96 Ų | 96 | 109.4 Ų | 109.4 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -40.7 | 172.5 | -74.4 | 169.7 | 0 | 0 | 0 | 111.6 | V227 I228 L234 L235 | V227-L231 HydrophobicContact CG1-CD1 3.87Å; V227-L231 HydrophobicContact CG1-CG 4.36Å; V227-L231 WeakPolarHBondContact O-CB 3.49Å; V227-L231 VanDerWaalsContact O-CG 3.27Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.44Å; I228-L231 PolarHBondContact O-N 2.84Å; L231-L234 PolarHBondContact O-N 3.33Å; L231-L235 WeakPolarHBondContact O-CB 3.47Å; L231-L235 VanDerWaalsContact O-CG 3.24Å; L231-L235 WeakPolarHBondContact O-CG 3.24Å; L231-L235 PolarHBondContact O-N 3.15Å |
| 232 | H | 89.7 | Confident | 82.4 | Confident | 105 Ų | 105 | 116.5 Ų | 116.5 | 49% | 0.486 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.3 | -49.5 | 176 | -166.9 | -91.7 | 0 | 0 | 0 | 111.5 | I228 V229 L234 L235 E236 | I228-H232 WeakPolarHBondContact O-CB 3.27Å; I228-H232 PolarHBondContact O-N 2.89Å; V229-H232 WeakPolarHBondContact O-CB 3.34Å; V229-H232 PolarHBondContact O-N 3.38Å; H232-L234 VanDerWaalsContact C-N 3.32Å; H232-L234 PolarHBondContact O-N 3.46Å; H232-L235 PolarHBondContact O-N 3.25Å; H232-E236 IonicContact CE1-OE1 3.81Å; H232-E236 PolarHBondContact CE1-OE1 3.48Å; H232-E236 IonicContact CE1-OE2 2.74Å; H232-E236 PolarHBondContact CE1-OE2 2.84Å; H232-E236 IonicContact ND1-OE1 2.99Å; H232-E236 IonicContact ND1-OE2 3.39Å; H232-E236 PolarHBondContact ND1-OE2 3.21Å; H232-E236 IonicContact NE2-OE1 2.74Å; H232-E236 WeakPolarHBondContact O-CB 3.36Å; H232-E236 WeakPolarHBondContact O-CG 3.4Å; H232-E236 PolarHBondContact O-N 2.88Å |
| 233 | Q | 88.6 | Confident | 80.8 | Confident | 127 Ų | 127 | 120.4 Ų | 120.4 | 59% | 0.593 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58.6 | -41.3 | 175.4 | -70.2 | -104.8 | 29.3 | 0 | 0 | 112 | V229 G230 S237 | V229-Q233 HydrophobicContact CG1-CG 4.27Å; V229-Q233 WeakPolarHBondContact O-CB 3.49Å; V229-Q233 WeakPolarHBondContact O-CG 3.19Å; V229-Q233 PolarHBondContact O-N 2.74Å; G230-Q233 PolarHBondContact O-N 3.29Å; Q233-S237 VanDerWaalsContact O-CB 3.28Å; Q233-S237 WeakPolarHBondContact O-CB 3.28Å; Q233-S237 PolarHBondContact O-N 2.91Å; Q233-S237 PolarHBondContact O-OG 2.92Å |
| 234 | L | 85.1 | Confident | 79.3 | Confident | 104 Ų | 104 | 120.6 Ų | 120.6 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.1 | -40.1 | 178.1 | -173.7 | 64.2 | 0 | 0 | 0 | 112.4 | G230 L231 H232 S237 R238 | G230-L234 VanDerWaalsContact O-CB 3.32Å; G230-L234 WeakPolarHBondContact O-CB 3.43Å; G230-L234 PolarHBondContact O-N 3.49Å; L231-L234 PolarHBondContact O-N 3.33Å; H232-L234 VanDerWaalsContact C-N 3.32Å; H232-L234 PolarHBondContact O-N 3.46Å; L234-S237 WeakPolarHBondContact CA-OG 3.4Å; L234-S237 PolarHBondContact O-OG 2.9Å; L234-R238 PolarHBondContact O-N 2.9Å; L234-R238 VanDerWaalsContact O-N 3.15Å |
| 235 | L | 83.1 | Confident | 78 | Confident | 103 Ų | 103 | 124.5 Ų | 124.5 | 54% | 0.539 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.1 | -37.6 | 177.4 | -70.9 | 171.4 | 0 | 0 | 0 | 112.1 | L231 H232 R238 K239 | L231-L235 WeakPolarHBondContact O-CB 3.47Å; L231-L235 VanDerWaalsContact O-CG 3.24Å; L231-L235 WeakPolarHBondContact O-CG 3.24Å; L231-L235 PolarHBondContact O-N 3.15Å; H232-L235 PolarHBondContact O-N 3.25Å; L235-R238 PolarHBondContact O-N 3.35Å; L235-K239 WeakPolarHBondContact O-CG 3.32Å; L235-K239 PolarHBondContact O-N 2.92Å |
| 236 | E | 75.4 | Confident | 76.5 | Confident | 102 Ų | 102 | 129 Ų | 129 | 48% | 0.477 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.3 | -42.2 | 175.4 | -74.8 | -172.7 | 144 | 0 | 0 | 112.4 | H232 R238 K239 | H232-E236 IonicContact CE1-OE1 3.81Å; H232-E236 PolarHBondContact CE1-OE1 3.48Å; H232-E236 IonicContact CE1-OE2 2.74Å; H232-E236 PolarHBondContact CE1-OE2 2.84Å; H232-E236 IonicContact ND1-OE1 2.99Å; H232-E236 IonicContact ND1-OE2 3.39Å; H232-E236 PolarHBondContact ND1-OE2 3.21Å; H232-E236 IonicContact NE2-OE1 2.74Å; H232-E236 WeakPolarHBondContact O-CB 3.36Å; H232-E236 WeakPolarHBondContact O-CG 3.4Å; H232-E236 PolarHBondContact O-N 2.88Å; E236-R238 VanDerWaalsContact C-N 3.26Å; E236-R238 PolarHBondContact O-N 3.35Å; E236-K239 PolarHBondContact O-N 3.31Å; E236-K239 VanDerWaalsContact O-N 3.14Å |
| 237 | S | 65.2 | Low | 75.4 | Confident | 72 Ų | 72 | 129.1 Ų | 129.1 | 50% | 0.503 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -62.8 | -32.9 | 175.1 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | Q233 L234 R240 | Q233-S237 VanDerWaalsContact O-CB 3.28Å; Q233-S237 WeakPolarHBondContact O-CB 3.28Å; Q233-S237 PolarHBondContact O-N 2.91Å; Q233-S237 PolarHBondContact O-OG 2.92Å; L234-S237 WeakPolarHBondContact CA-OG 3.4Å; L234-S237 PolarHBondContact O-OG 2.9Å; S237-R240 PolarHBondContact O-N 3.34Å |
| 238 | R | 64.4 | Low | 74.4 | Confident | 203 Ų | 203 | 134.3 Ų | 134.3 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.1 | -32.9 | 173.4 | -115.7 | 177.3 | 178.5 | 175.5 | 0.3 | 113.7 | L234 L235 E236 R240 | L234-R238 PolarHBondContact O-N 2.9Å; L234-R238 VanDerWaalsContact O-N 3.15Å; L235-R238 PolarHBondContact O-N 3.35Å; E236-R238 VanDerWaalsContact C-N 3.26Å; E236-R238 PolarHBondContact O-N 3.35Å; R238-R240 PolarHBondContact O-N 3.14Å |
| 239 | K | 59.6 | Low | 72.9 | Confident | 163 Ų | 163 | 134.6 Ų | 134.6 | 71% | 0.709 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.7 | -11.3 | -179.8 | -74.7 | 175.1 | -176.5 | 175.4 | 0 | 113.9 | L235 E236 | L235-K239 WeakPolarHBondContact O-CG 3.32Å; L235-K239 PolarHBondContact O-N 2.92Å; E236-K239 PolarHBondContact O-N 3.31Å; E236-K239 VanDerWaalsContact O-N 3.14Å |
| 240 | R | 58.1 | Low | 71.3 | Confident | 229 Ų | 229 | 133.4 Ų | 133.4 | 86% | 0.864 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 0.5 | -175.6 | -137.5 | 176.5 | -178 | -171.1 | 0.9 | 115.3 | S237 R238 R242 | S237-R240 PolarHBondContact O-N 3.34Å; R238-R240 PolarHBondContact O-N 3.14Å; R240-R242 VanDerWaalsContact C-N 3.34Å; R240-R242 PolarHBondContact O-N 3.26Å |
| 241 | R | 58.6 | Low | 69.9 | Low | 235 Ų | 235 | 138.9 Ų | 138.9 | 89% | 0.887 | 70% | 0.698 | S | S | * | * | trans | -90.9 | 63.7 | 171.6 | -63.9 | -165.9 | -178.8 | -161.8 | 1.5 | 111.5 | ||||
| 242 | R | 62 | Low | 68.2 | Low | 219 Ų | 219 | 139.4 Ų | 139.4 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 127.7 | 157.2 | -68 | -173.7 | -179 | -172.9 | -0.4 | 107 | R240 A244 | R240-R242 VanDerWaalsContact C-N 3.34Å; R240-R242 PolarHBondContact O-N 3.26Å; R242-A244 PolarHBondContact O-N 3.49Å |
| 243 | P | 63.8 | Low | 66.6 | Low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 134.5 | 170.5 | 24.3 | -30.8 | 0 | 0 | 0 | 108.1 | ||
| 244 | A | 63.8 | Low | 65.1 | Low | 86 Ų | 86 | 138.1 Ų | 138.1 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 134.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | R242 K246 | R242-A244 PolarHBondContact O-N 3.49Å; A244-K246 PolarHBondContact O-N 3.49Å; A244-K246 VanDerWaalsContact O-N 3.16Å |
| 245 | P | 66.3 | Low | 63.9 | Low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 127.5 | 175.4 | 23.4 | -31.4 | 0 | 0 | 0 | 107.6 | V247 | P245-V247 VanDerWaalsContact C-N 3.35Å; P245-V247 PolarHBondContact O-N 3.44Å |
| 246 | K | 64.9 | Low | 62.8 | Low | 206 Ų | 206 | 143 Ų | 143 | 90% | 0.896 | 74% | 0.739 | S | S | * | * | trans | -59.8 | 103.4 | 174.4 | -77.9 | 177.6 | 176.2 | -179 | 0 | 106.9 | A244 E248 | A244-K246 PolarHBondContact O-N 3.49Å; A244-K246 VanDerWaalsContact O-N 3.16Å; K246-E248 PolarHBondContact O-N 3.2Å | ||
| 247 | V | 71.3 | Confident | 62.5 | Low | 121 Ų | 121 | 142 Ų | 142 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | -70.4 | 110.5 | 170 | 177.1 | 0 | 0 | 0 | 0 | 105.4 | P245 T249 | P245-V247 VanDerWaalsContact C-N 3.35Å; P245-V247 PolarHBondContact O-N 3.44Å; V247-T249 VanDerWaalsContact C-N 3.32Å; V247-T249 PolarHBondContact O-N 2.85Å | ||
| 248 | E | 72.4 | Confident | 62.7 | Low | 186 Ų | 186 | 144.1 Ų | 144.1 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | trans | -64.3 | 95 | 173.2 | -65.4 | -178.4 | 171.4 | 0 | 0 | 108.2 | K246 G250 | K246-E248 PolarHBondContact O-N 3.2Å; E248-G250 VanDerWaalsContact C-N 3.33Å; E248-G250 PolarHBondContact O-N 3.16Å | ||
| 249 | T | 62.2 | Low | 63.2 | Low | 117 Ų | 117 | 138 Ų | 138 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | -69.8 | 97.4 | 164.2 | 47.8 | 0 | 0 | 0 | 0 | 107.1 | V247 | V247-T249 VanDerWaalsContact C-N 3.32Å; V247-T249 PolarHBondContact O-N 2.85Å | ||
| 250 | G | 60 | Low | 64 | Low | 58 Ų | 58 | 134.8 Ų | 134.8 | 60% | 0.598 | 73% | 0.726 | S | S | * | * | trans | -53.8 | 136.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E248 S252 | E248-G250 VanDerWaalsContact C-N 3.33Å; E248-G250 PolarHBondContact O-N 3.16Å; G250-S252 PolarHBondContact O-N 3.03Å; G250-S252 VanDerWaalsContact O-N 3.16Å | ||
| 251 | T | 61.9 | Low | 65 | Low | 151 Ų | 151 | 133.5 Ų | 133.5 | 93% | 0.926 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 44.4 | 48.7 | 154.5 | 65 | 0 | 0 | 0 | 0 | 118.1 | ||
| 252 | S | 55.5 | Low | 66.1 | Low | 107 Ų | 107 | 123.9 Ų | 123.9 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | trans | -106.7 | 13.2 | 165 | 73.2 | 0 | 0 | 0 | 0 | 113.9 | G250 | G250-S252 PolarHBondContact O-N 3.03Å; G250-S252 VanDerWaalsContact O-N 3.16Å | ||
| 253 | S | 56.3 | Low | 67 | Low | 73 Ų | 73 | 117.7 Ų | 117.7 | 51% | 0.51 | 68% | 0.675 | S | S | . | * | trans | -91.7 | 95.8 | 167.8 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | N255 | S253-N255 PolarHBondContact O-N 2.89Š| ||
| 254 | H | 57.9 | Low | 67.6 | Low | 132 Ų | 132 | 119.8 Ų | 119.8 | 61% | 0.611 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 5.4 | 177.2 | -129.3 | 24.9 | 0 | 0 | 0 | 112.8 | R274 | H254-R274 PolarHBondContact CD2-NH1 3.16Å; H254-R274 PolarHBondContact NE2-NH1 3.41Å |
| 255 | N | 59.5 | Low | 68.4 | Low | 157 Ų | 157 | 123.6 Ų | 123.6 | 84% | 0.84 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -12.9 | -175.4 | -101.3 | 2.4 | 0 | 0 | 0 | 114.2 | S253 | S253-N255 PolarHBondContact O-N 2.89Š|
| 256 | D | 59.7 | Low | 69 | Low | 152 Ų | 152 | 121 Ų | 121 | 81% | 0.813 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -104 | 20.9 | 179.8 | -86.7 | -25 | 0 | 0 | 0 | 113.1 | ||
| 257 | V | 68.3 | Low | 69.8 | Low | 82 Ų | 82 | 113 Ų | 113 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | trans | -99.2 | 107.2 | 177.1 | -172.3 | 0 | 0 | 0 | 0 | 108.6 | L259 | V257-L259 WeakPolarHBondContact O-CD1 3.39Å; V257-L259 PolarHBondContact O-N 3.03Å | ||
| 258 | D | 70.7 | Confident | 70.1 | Confident | 116 Ų | 116 | 111.4 Ų | 111.4 | 62% | 0.62 | 61% | 0.614 | S | S | * | * | trans | -67.8 | 119.8 | 174.5 | -172.9 | 4.3 | 0 | 0 | 0 | 110.4 | S260 | D258-S260 WeakPolarHBondContact OD1-CB 3.29Å; D258-S260 PolarHBondContact OD1-N 3.14Å; D258-S260 PolarHBondContact OD1-OG 3.04Å; D258-S260 PolarHBondContact OD2-OG 3.32Å | ||
| 259 | L | 74.9 | Confident | 70.4 | Confident | 75 Ų | 75 | 108.9 Ų | 108.9 | 39% | 0.393 | 60% | 0.602 | S | S | . | * | trans | -98.7 | 8.7 | -177.6 | -65.8 | 124.5 | 0 | 0 | 0 | 112.6 | V257 W261 I262 L267 | V257-L259 WeakPolarHBondContact O-CD1 3.39Å; V257-L259 PolarHBondContact O-N 3.03Å; L259-W261 PolarHBondContact O-N 3.5Å; L259-W261 VanDerWaalsContact O-N 3.15Å; L259-I262 HydrophobicContact CD2-CD1 4.08Å; L259-I262 PolarHBondContact O-N 3.1Å; L259-L267 HydrophobicContact CB-CD1 3.74Å; L259-L267 HydrophobicContact CD2-CD1 4.44Å | ||
| 260 | S | 76.8 | Confident | 71.3 | Confident | 95 Ų | 95 | 106.2 Ų | 106.2 | 66% | 0.664 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -18.3 | -176.4 | 62 | 0 | 0 | 0 | 0 | 115 | D258 | D258-S260 WeakPolarHBondContact OD1-CB 3.29Å; D258-S260 PolarHBondContact OD1-N 3.14Å; D258-S260 PolarHBondContact OD1-OG 3.04Å; D258-S260 PolarHBondContact OD2-OG 3.32Å |
| 261 | W | 78.1 | Confident | 71.9 | Confident | 202 Ų | 202 | 109 Ų | 109 | 77% | 0.765 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -10.4 | -180 | 73.7 | -86.9 | 0 | 0 | 0 | 114.3 | L259 | L259-W261 PolarHBondContact O-N 3.5Å; L259-W261 VanDerWaalsContact O-N 3.15Å |
| 262 | I | 81.2 | Confident | 72.4 | Confident | 33 Ų | 33 | 107.6 Ų | 107.6 | 17% | 0.169 | 57% | 0.565 | C | S | . | * | S | Bend | trans | -95 | 132.9 | -177.1 | -55.9 | 176.1 | 0 | 0 | 0 | 109.3 | L259 Q264 | L259-I262 HydrophobicContact CD2-CD1 4.08Å; L259-I262 PolarHBondContact O-N 3.1Å; I262-Q264 PolarHBondContact O-N 3Å |
| 263 | P | 81.9 | Confident | 73.2 | Confident | 89 Ų | 89 | 105.8 Ų | 105.8 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | trans | -54.3 | 136.7 | 173.6 | -23.9 | 33.2 | 0 | 0 | 0 | 111.9 | E265 T266 L267 | P263-E265 PolarHBondContact O-N 3.31Å; P263-E265 VanDerWaalsContact O-N 3.09Å; P263-T266 PolarHBondContact O-N 3.45Å; P263-T266 PolarHBondContact O-OG1 3.15Å; P263-L267 PolarHBondContact O-N 2.9Å | ||
| 264 | Q | 76.8 | Confident | 73.7 | Confident | 164 Ų | 164 | 109.1 Ų | 109.1 | 77% | 0.766 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.4 | -29.9 | -173.1 | -66.9 | -165.8 | -23.6 | 0 | 0 | 113.5 | I262 T266 L267 N268 | I262-Q264 PolarHBondContact O-N 3Å; Q264-T266 VanDerWaalsContact C-N 3.33Å; Q264-T266 PolarHBondContact O-N 3.38Å; Q264-L267 PolarHBondContact O-N 2.99Å; Q264-N268 PolarHBondContact O-N 3.07Å; Q264-N268 VanDerWaalsContact O-N 3.13Å; Q264-N268 PolarHBondContact O-ND2 3.28Å |
| 265 | E | 78.9 | Confident | 73.9 | Confident | 166 Ų | 166 | 112.6 Ų | 112.6 | 78% | 0.776 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.1 | -40.9 | 175.6 | -129.5 | 177.2 | 178.9 | 0 | 0 | 112.2 | P263 Q269 | P263-E265 PolarHBondContact O-N 3.31Å; P263-E265 VanDerWaalsContact O-N 3.09Å; E265-Q269 PolarHBondContact O-N 3.46Å |
| 266 | T | 80.1 | Confident | 73.8 | Confident | 60 Ų | 60 | 111.9 Ų | 111.9 | 37% | 0.368 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -75.3 | -36.5 | 179.6 | -16.3 | 0 | 0 | 0 | 0 | 111.3 | P263 Q264 N268 Q269 I270 | P263-T266 PolarHBondContact O-N 3.45Å; P263-T266 PolarHBondContact O-OG1 3.15Å; Q264-T266 VanDerWaalsContact C-N 3.33Å; Q264-T266 PolarHBondContact O-N 3.38Å; T266-N268 VanDerWaalsContact C-N 3.34Å; T266-N268 PolarHBondContact O-N 2.99Å; T266-Q269 PolarHBondContact O-N 2.96Å; T266-I270 VanDerWaalsContact O-CG1 3.29Å; T266-I270 WeakPolarHBondContact O-CG1 3.43Å; T266-I270 PolarHBondContact O-N 3.09Å |
| 267 | L | 81.1 | Confident | 73.6 | Confident | 37 Ų | 37 | 113 Ų | 113 | 19% | 0.194 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -63 | -41.1 | 178.3 | -171.1 | 141.6 | 0 | 0 | 0 | 111.8 | L259 P263 Q264 I270 M271 | L259-L267 HydrophobicContact CB-CD1 3.74Å; L259-L267 HydrophobicContact CD2-CD1 4.44Å; P263-L267 PolarHBondContact O-N 2.9Å; Q264-L267 PolarHBondContact O-N 2.99Å; L267-I270 PolarHBondContact O-N 3.45Å; L267-M271 HydrophobicContact CD2-CE 3.66Å; L267-M271 HydrophobicContact CD2-CG 4.37Å; L267-M271 HydrophobicContact CD2-SD 3.86Å; L267-M271 WeakPolarHBondContact O-CG 3.46Å; L267-M271 PolarHBondContact O-N 3.16Å |
| 268 | N | 78.6 | Confident | 72.7 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.8 | -41.7 | 177.2 | -70 | -24 | 0 | 0 | 0 | 112.1 | Q264 T266 I270 M271 Q272 | Q264-N268 PolarHBondContact O-N 3.07Å; Q264-N268 VanDerWaalsContact O-N 3.13Å; Q264-N268 PolarHBondContact O-ND2 3.28Å; T266-N268 VanDerWaalsContact C-N 3.34Å; T266-N268 PolarHBondContact O-N 2.99Å; N268-I270 PolarHBondContact O-N 3.05Å; N268-M271 PolarHBondContact O-N 3.42Å; N268-Q272 PolarHBondContact O-N 3.24Å; N268-Q272 PolarHBondContact O-OE1 3.19Å |
| 269 | Q | 78.9 | Confident | 71.6 | Confident | 133 Ų | 133 | 113 Ų | 113 | 62% | 0.621 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62 | -39.9 | 173.7 | -74.3 | -179.2 | 3.4 | 0 | 0 | 112.7 | E265 T266 Q272 S273 | E265-Q269 PolarHBondContact O-N 3.46Å; T266-Q269 PolarHBondContact O-N 2.96Å; Q269-Q272 PolarHBondContact O-N 3.2Å; Q269-S273 WeakPolarHBondContact O-CB 3.19Å; Q269-S273 PolarHBondContact O-N 3.39Å; Q269-S273 PolarHBondContact O-OG 2.96Å; Q269-S273 VanDerWaalsContact O-OG 3.07Å |
| 270 | I | 79.8 | Confident | 70.5 | Confident | 60 Ų | 60 | 115.2 Ų | 115.2 | 31% | 0.308 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.7 | -41.8 | 176.7 | -67 | 164.2 | 0 | 0 | 0 | 110.7 | T266 L267 N268 S273 R274 | T266-I270 VanDerWaalsContact O-CG1 3.29Å; T266-I270 WeakPolarHBondContact O-CG1 3.43Å; T266-I270 PolarHBondContact O-N 3.09Å; L267-I270 PolarHBondContact O-N 3.45Å; N268-I270 PolarHBondContact O-N 3.05Å; I270-S273 WeakPolarHBondContact CA-OG 3.49Å; I270-S273 PolarHBondContact O-N 3.29Å; I270-S273 PolarHBondContact O-OG 3.35Å; I270-R274 WeakPolarHBondContact O-CG 3.49Å; I270-R274 PolarHBondContact O-N 3.46Å; I270-R274 VanDerWaalsContact O-N 3.1Å |
| 271 | M | 73.4 | Confident | 69 | Low | 117 Ų | 117 | 122.4 Ų | 122.4 | 58% | 0.576 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.5 | -40.2 | 177.1 | -75.3 | -171.7 | 172.2 | 0 | 0 | 112.5 | L267 N268 R275 | L267-M271 HydrophobicContact CD2-CE 3.66Å; L267-M271 HydrophobicContact CD2-CG 4.37Å; L267-M271 HydrophobicContact CD2-SD 3.86Å; L267-M271 WeakPolarHBondContact O-CG 3.46Å; L267-M271 PolarHBondContact O-N 3.16Å; N268-M271 PolarHBondContact O-N 3.42Å; M271-R275 PolarHBondContact O-N 2.97Å |
| 272 | Q | 73 | Confident | 67.3 | Low | 122 Ų | 122 | 124.6 Ų | 124.6 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.4 | -47.6 | 175 | -98.8 | 137.8 | -6.9 | 0 | 0 | 111.9 | N268 Q269 R274 R275 D276 | N268-Q272 PolarHBondContact O-N 3.24Å; N268-Q272 PolarHBondContact O-OE1 3.19Å; Q269-Q272 PolarHBondContact O-N 3.2Å; Q272-R274 VanDerWaalsContact C-N 3.32Å; Q272-R274 PolarHBondContact O-N 2.96Å; Q272-R275 PolarHBondContact O-N 3.28Å; Q272-R275 VanDerWaalsContact O-N 3.15Å; Q272-D276 PolarHBondContact O-N 3.47Å |
| 273 | S | 70.5 | Confident | 65.6 | Low | 68 Ų | 68 | 127.9 Ų | 127.9 | 48% | 0.476 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.6 | -28.6 | 179.7 | 61 | 0 | 0 | 0 | 0 | 114.6 | Q269 I270 | Q269-S273 WeakPolarHBondContact O-CB 3.19Å; Q269-S273 PolarHBondContact O-N 3.39Å; Q269-S273 PolarHBondContact O-OG 2.96Å; Q269-S273 VanDerWaalsContact O-OG 3.07Å; I270-S273 WeakPolarHBondContact CA-OG 3.49Å; I270-S273 PolarHBondContact O-N 3.29Å; I270-S273 PolarHBondContact O-OG 3.35Å |
| 274 | R | 66.9 | Low | 64.3 | Low | 143 Ų | 143 | 129.7 Ų | 129.7 | 54% | 0.54 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -73.5 | -33.3 | 173.4 | -74.4 | -171.3 | -162.2 | -150.5 | 3.7 | 112.8 | H254 I270 Q272 D276 K277 | H254-R274 PolarHBondContact CD2-NH1 3.16Å; H254-R274 PolarHBondContact NE2-NH1 3.41Å; I270-R274 WeakPolarHBondContact O-CG 3.49Å; I270-R274 PolarHBondContact O-N 3.46Å; I270-R274 VanDerWaalsContact O-N 3.1Å; Q272-R274 VanDerWaalsContact C-N 3.32Å; Q272-R274 PolarHBondContact O-N 2.96Å; R274-D276 VanDerWaalsContact C-N 3.27Å; R274-D276 PolarHBondContact O-N 3.46Å; R274-K277 PolarHBondContact O-N 3.42Å |
| 275 | R | 62.3 | Low | 62.8 | Low | 206 Ų | 206 | 133.8 Ų | 133.8 | 78% | 0.777 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.5 | -34.1 | 179.5 | -177.5 | 170.5 | -83.3 | 160.3 | -4.7 | 111.5 | M271 Q272 K277 | M271-R275 PolarHBondContact O-N 2.97Å; Q272-R275 PolarHBondContact O-N 3.28Å; Q272-R275 VanDerWaalsContact O-N 3.15Å; R275-K277 VanDerWaalsContact C-N 3.27Å; R275-K277 PolarHBondContact O-N 3.15Å |
| 276 | D | 57.5 | Low | 61.2 | Low | 141 Ų | 141 | 135.3 Ų | 135.3 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -0.5 | -179.9 | -60.8 | -31.2 | 0 | 0 | 0 | 113.8 | Q272 R274 | Q272-D276 PolarHBondContact O-N 3.47Å; R274-D276 VanDerWaalsContact C-N 3.27Å; R274-D276 PolarHBondContact O-N 3.46Å |
| 277 | K | 56.8 | Low | 59.7 | Low | 177 Ų | 177 | 143 Ų | 143 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | 31.6 | -173.5 | -143.6 | 147.6 | -173.1 | 178.4 | 0 | 114.4 | R274 R275 S279 | R274-K277 PolarHBondContact O-N 3.42Å; R275-K277 VanDerWaalsContact C-N 3.27Å; R275-K277 PolarHBondContact O-N 3.15Å; K277-S279 PolarHBondContact O-N 3.28Å |
| 278 | A | 49 | Very low | 57.9 | Low | 97 Ų | 97 | 148.8 Ų | 148.8 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | trans | -71.5 | 93.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 279 | S | 48.2 | Very low | 56.4 | Low | 101 Ų | 101 | 152.7 Ų | 152.7 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 151.7 | 179.9 | 172.6 | 0 | 0 | 0 | 0 | 115.2 | K277 | K277-S279 PolarHBondContact O-N 3.28Š|
| 280 | P | 50 | Low | 54.9 | Low | 120 Ų | 120 | 156.5 Ų | 156.5 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 147.3 | 170.3 | -0.9 | 15.9 | 0 | 0 | 0 | 112.1 | ||
| 281 | R | 45.7 | Very low | 53.3 | Low | 247 Ų | 247 | 165.4 Ų | 165.4 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 129.1 | -176.6 | -74.8 | 159.1 | 79.7 | 176 | 4.3 | 112.8 | ||
| 282 | R | 42 | Very low | 52 | Low | 247 Ų | 247 | 165.3 Ų | 165.3 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 126.6 | 169 | -168.2 | 175.9 | -176.9 | -175.9 | 1.7 | 110.4 | ||
| 283 | S | 46.2 | Very low | 50.7 | Low | 103 Ų | 103 | 164.2 Ų | 164.2 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 153.3 | -177.8 | 55 | 0 | 0 | 0 | 0 | 113.3 | ||
| 284 | P | 55.6 | Low | 49.3 | Very low | 126 Ų | 126 | 164.2 Ų | 164.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 131.1 | -175.7 | 31.5 | -30.6 | 0 | 0 | 0 | 112.2 | K286 | P284-K286 PolarHBondContact O-N 3.3Š|
| 285 | R | 45.6 | Very low | 48.1 | Very low | 251 Ų | 251 | 163 Ų | 163 | 95% | 0.947 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 122.5 | 177.4 | -174.4 | 173.7 | 172.1 | 133.4 | -4 | 110.5 | ||
| 286 | K | 45.1 | Very low | 47.2 | Very low | 197 Ų | 197 | 160.4 Ų | 160.4 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 134.3 | 177 | -79.9 | 179.9 | 173.3 | -179.4 | 0 | 112.1 | P284 | P284-K286 PolarHBondContact O-N 3.3Š|
| 287 | R | 47.2 | Very low | 46.2 | Very low | 223 Ų | 223 | 166.6 Ų | 166.6 | 84% | 0.842 | 85% | 0.848 | S | S | * | * | trans | -96.4 | 111.8 | 170 | 173.2 | 177 | 150.1 | -174.3 | -6.7 | 107.9 | Q289 | R287-Q289 PolarHBondContact O-N 3.13Š| ||
| 288 | N | 44.3 | Very low | 45.7 | Very low | 157 Ų | 157 | 166.1 Ų | 166.1 | 84% | 0.84 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 122.1 | 172.9 | -82.6 | -3 | 0 | 0 | 0 | 109.7 | ||
| 289 | Q | 47.8 | Very low | 45.5 | Very low | 170 Ų | 170 | 169.7 Ų | 169.7 | 79% | 0.794 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 131.2 | 164.5 | -78.3 | 175.8 | -20.8 | 0 | 0 | 108.9 | R287 | R287-Q289 PolarHBondContact O-N 3.13Š|
| 290 | K | 45.7 | Very low | 45.4 | Very low | 213 Ų | 213 | 173.5 Ų | 173.5 | 93% | 0.926 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 129.6 | 165.9 | -91.7 | 179.1 | 170.4 | -176.5 | 0 | 108.5 | ||
| 291 | R | 46.1 | Very low | 45.1 | Very low | 247 Ų | 247 | 176.6 Ų | 176.6 | 93% | 0.932 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 142.3 | 172 | -72.7 | 172.9 | 143.3 | -174.1 | -9.1 | 110.7 | ||
| 292 | S | 46.5 | Very low | 45.1 | Very low | 116 Ų | 116 | 172.3 Ų | 172.3 | 81% | 0.811 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 129.1 | 159.4 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 293 | A | 46.5 | Very low | 45.3 | Very low | 99 Ų | 99 | 167.3 Ų | 167.3 | 82% | 0.818 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 132 | 154.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||
| 294 | G | 39.9 | Very low | 45.2 | Very low | 67 Ų | 67 | 171.9 Ų | 171.9 | 69% | 0.691 | 87% | 0.869 | S | S | * | * | 72.7 | 94.3 | 61.4 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 295 | S | 42.2 | Very low | 44.4 | Very low | 117 Ų | 117 | 175.4 Ų | 175.4 | 82% | 0.818 | 87% | 0.873 | S | S | * | * | 49.8 | 82.5 | 57.7 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 296 | D | 42.5 | Very low | 44.3 | Very low | 152 Ų | 152 | 169.1 Ų | 169.1 | 81% | 0.813 | 87% | 0.867 | S | S | * | * | -166.5 | 148 | 123.6 | -109.4 | -17.8 | 0 | 0 | 0 | 109.8 | |||||
| 297 | E | 38 | Very low | 44.2 | Very low | 271 Ų | 271 | 166.5 Ų | 166.5 | 100% | 1.266 | 87% | 0.868 | S | S | * | * | trans | 76.6 | 0 | 177.4 | -68.3 | 170.8 | 129.5 | 0 | 0 | 118.7 |
Retrieved 297 of 297 residues in 354.6 ms
(Link to these results)