| 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 | 35 | Very low | 37.5 | Very low | 245 Ų | 245 | 169 Ų | 169 | 100% | 1.207 | 79% | 0.79 | S | S | * | * | 0 | 121.5 | 0 | -96.5 | 157.5 | 61.4 | 0 | 0 | 108.6 | |||||
| 2 | W | 30.9 | Very low | 38.3 | Very low | 226 Ų | 226 | 162.3 Ų | 162.3 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -61.4 | 134.4 | -179.3 | -152.3 | -1.6 | 0 | 0 | 0 | 110.8 | H4 | W2-H4 AromaticContact CE2-CD2 3.81Å; W2-H4 AromaticContact CZ2-CD2 3.99Å; W2-H4 AromaticContact NE1-CD2 3.21Å; W2-H4 PolarHBondContact NE1-CD2 3.13Å | ||
| 3 | S | 33.2 | Very low | 39.3 | Very low | 107 Ų | 107 | 160.5 Ų | 160.5 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -144.6 | 111.4 | 145.3 | 64.3 | 0 | 0 | 0 | 0 | 109.2 | L5 | S3-L5 PolarHBondContact O-N 2.82Š| ||
| 4 | H | 34 | Very low | 39.9 | Very low | 142 Ų | 142 | 162.2 Ų | 162.2 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | -81.5 | 99.4 | -174.2 | -142.1 | -65.7 | 0 | 0 | 0 | 107.6 | W2 N6 | W2-H4 AromaticContact CE2-CD2 3.81Å; W2-H4 AromaticContact CZ2-CD2 3.99Å; W2-H4 AromaticContact NE1-CD2 3.21Å; W2-H4 PolarHBondContact NE1-CD2 3.13Å; H4-N6 PolarHBondContact O-N 2.81Å; H4-N6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | L | 43.3 | Very low | 39.9 | Very low | 166 Ų | 166 | 157.8 Ų | 157.8 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -76.7 | 101.3 | 165.7 | -100.5 | 112.1 | 0 | 0 | 0 | 108.4 | S3 R7 | S3-L5 PolarHBondContact O-N 2.82Å; L5-R7 PolarHBondContact O-N 2.86Å; L5-R7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | N | 35.3 | Very low | 40.1 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -71.6 | 100.1 | 175.6 | -148.6 | 14 | 0 | 0 | 0 | 108.6 | H4 L8 | H4-N6 PolarHBondContact O-N 2.81Å; H4-N6 VanDerWaalsContact O-N 3.16Å; N6-L8 PolarHBondContact O-N 2.82Å | ||
| 7 | R | 38.8 | Very low | 40.5 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | trans | -78.3 | 96.1 | 176.5 | -178.5 | 169.5 | 159.5 | -110.4 | 3.7 | 108.4 | L5 L9 | L5-R7 PolarHBondContact O-N 2.86Å; L5-R7 VanDerWaalsContact O-N 3.12Å; R7-L9 HydrophobicContact CG-CG 4.47Å; R7-L9 PolarHBondContact O-N 3.35Å | ||
| 8 | L | 43 | Very low | 40.7 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -61.7 | 95.3 | 170.2 | -70.3 | 168.2 | 0 | 0 | 0 | 109.3 | N6 F10 | N6-L8 PolarHBondContact O-N 2.82Å; L8-F10 PolarHBondContact O-N 2.88Å | ||
| 9 | L | 44.2 | Very low | 41 | Very low | 101 Ų | 101 | 148.5 Ų | 148.5 | 53% | 0.529 | 76% | 0.759 | S | S | . | * | trans | -83.8 | 96 | 163.2 | -76.6 | 169 | 0 | 0 | 0 | 107.6 | R7 W11 | R7-L9 HydrophobicContact CG-CG 4.47Å; R7-L9 PolarHBondContact O-N 3.35Å; L9-W11 VanDerWaalsContact C-N 3.32Å; L9-W11 PolarHBondContact O-N 2.89Å | ||
| 10 | F | 39.4 | Very low | 41.2 | Very low | 182 Ų | 182 | 152.6 Ų | 152.6 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | trans | -65.5 | 95.6 | 161.2 | -95 | -94 | 0 | 0 | 0 | 108 | L8 S12 | L8-F10 PolarHBondContact O-N 2.88Å; F10-S12 VanDerWaalsContact C-N 3.28Å; F10-S12 PolarHBondContact O-N 2.86Å; F10-S12 VanDerWaalsContact O-N 3.09Å | ||
| 11 | W | 34.9 | Very low | 41.3 | Very low | 220 Ų | 220 | 154.4 Ų | 154.4 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | trans | -73.9 | 89.9 | 158.5 | -77 | -26.9 | 0 | 0 | 0 | 107.9 | L9 I13 | L9-W11 VanDerWaalsContact C-N 3.32Å; L9-W11 PolarHBondContact O-N 2.89Å; W11-I13 HydrophobicContact CB-CG1 4.49Å; W11-I13 PolarHBondContact O-N 3.18Å | ||
| 12 | S | 47.1 | Very low | 42 | Very low | 88 Ų | 88 | 147.3 Ų | 147.3 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | trans | -67.2 | 89.3 | 159 | 49.4 | 0 | 0 | 0 | 0 | 107.6 | F10 F14 | F10-S12 VanDerWaalsContact C-N 3.28Å; F10-S12 PolarHBondContact O-N 2.86Å; F10-S12 VanDerWaalsContact O-N 3.09Å; S12-F14 VanDerWaalsContact C-N 3.29Å; S12-F14 PolarHBondContact O-N 2.9Å | ||
| 13 | I | 52.5 | Low | 42.9 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | -66 | 96.5 | 167.3 | -58.9 | 168.8 | 0 | 0 | 0 | 105.3 | W11 S15 | W11-I13 HydrophobicContact CB-CG1 4.49Å; W11-I13 PolarHBondContact O-N 3.18Å; I13-S15 PolarHBondContact O-N 3.03Å | ||
| 14 | F | 47.1 | Very low | 43.8 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | -64.4 | 93.2 | 159 | -81.3 | -88.5 | 0 | 0 | 0 | 105.8 | S12 S16 | S12-F14 VanDerWaalsContact C-N 3.29Å; S12-F14 PolarHBondContact O-N 2.9Å; F14-S16 PolarHBondContact O-N 3.22Å | ||
| 15 | S | 39.4 | Very low | 44.8 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | trans | -64.9 | 85.1 | 162.9 | 36.7 | 0 | 0 | 0 | 0 | 106.5 | I13 V17 | I13-S15 PolarHBondContact O-N 3.03Å; S15-V17 PolarHBondContact O-N 2.88Å | ||
| 16 | S | 43.2 | Very low | 45.7 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | trans | -62.6 | 94.9 | 166 | 60.8 | 0 | 0 | 0 | 0 | 106.1 | F14 T18 | F14-S16 PolarHBondContact O-N 3.22Å; S16-T18 PolarHBondContact O-N 3.33Å; S16-T18 PolarHBondContact O-OG1 3Å | ||
| 17 | V | 47.7 | Very low | 46.7 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | trans | -67.7 | 88.8 | 167.4 | -179 | 0 | 0 | 0 | 0 | 105.3 | S15 C19 | S15-V17 PolarHBondContact O-N 2.88Å; V17-C19 VanDerWaalsContact C-N 3.26Å; V17-C19 PolarHBondContact O-N 3.18Å | ||
| 18 | T | 43.6 | Very low | 47.6 | Very low | 114 Ų | 114 | 129 Ų | 129 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | trans | -67.7 | 97.5 | 166.7 | -21.5 | 0 | 0 | 0 | 0 | 105 | S16 R20 | S16-T18 PolarHBondContact O-N 3.33Å; S16-T18 PolarHBondContact O-OG1 3Å; T18-R20 PolarHBondContact O-N 3.44Å | ||
| 19 | C | 47.3 | Very low | 48.5 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | trans | -62.5 | 90.7 | 167.4 | -165.4 | 0 | 0 | 0 | 0 | 106 | V17 K21 | V17-C19 VanDerWaalsContact C-N 3.26Å; V17-C19 PolarHBondContact O-N 3.18Å; C19-K21 PolarHBondContact O-N 2.82Å | ||
| 20 | R | 43.8 | Very low | 49.2 | Very low | 231 Ų | 231 | 126 Ų | 126 | 87% | 0.872 | 67% | 0.668 | S | S | * | * | trans | -59.6 | 107.8 | 168.5 | -81.5 | -176 | 173.4 | -173.3 | -1.6 | 104.9 | T18 A22 | T18-R20 PolarHBondContact O-N 3.44Å; R20-A22 PolarHBondContact O-N 2.8Å | ||
| 21 | K | 44.3 | Very low | 50 | Low | 190 Ų | 190 | 122.3 Ų | 122.3 | 83% | 0.826 | 66% | 0.66 | S | S | * | * | trans | -54.9 | 110.4 | 162.5 | -76.5 | -175.2 | 176.6 | 178.8 | 0 | 105.4 | C19 V23 | C19-K21 PolarHBondContact O-N 2.82Å; K21-V23 VanDerWaalsContact C-N 3.3Å; K21-V23 PolarHBondContact O-N 3.03Å | ||
| 22 | A | 50 | Low | 51 | Low | 96 Ų | 96 | 119.2 Ų | 119.2 | 79% | 0.793 | 66% | 0.66 | S | S | * | * | trans | -63.6 | 100.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | R20 L24 | R20-A22 PolarHBondContact O-N 2.8Å; A22-L24 PolarHBondContact O-N 2.88Å | ||
| 23 | V | 48.6 | Very low | 52.2 | Low | 117 Ų | 117 | 120 Ų | 120 | 71% | 0.709 | 65% | 0.654 | S | S | * | * | trans | -68.7 | 120.9 | 169.3 | 178.2 | 0 | 0 | 0 | 0 | 105.6 | K21 D25 | K21-V23 VanDerWaalsContact C-N 3.3Å; K21-V23 PolarHBondContact O-N 3.03Å; V23-D25 PolarHBondContact O-N 2.84Å | ||
| 24 | L | 53.1 | Low | 53.7 | Low | 89 Ų | 89 | 113.8 Ų | 113.8 | 47% | 0.466 | 62% | 0.622 | S | S | . | * | trans | -65.4 | 100.1 | 171.1 | -72.5 | 167.1 | 0 | 0 | 0 | 107.7 | A22 V107 T108 | A22-L24 PolarHBondContact O-N 2.88Å; L24-V107 HydrophobicContact CD1-CG1 4.31Å; L24-T108 HydrophobicContact CB-CG2 4.14Å; L24-T108 WeakPolarHBondContact O-CB 3.43Å; L24-T108 PolarHBondContact O-OG1 2.86Å | ||
| 25 | D | 55.3 | Low | 55.8 | Low | 77 Ų | 77 | 107.2 Ų | 107.2 | 41% | 0.412 | 60% | 0.598 | S | S | . | * | trans | -88.6 | 143.5 | 174.4 | -165.5 | -7.8 | 0 | 0 | 0 | 110 | V23 E27 A28 M29 | V23-D25 PolarHBondContact O-N 2.84Å; D25-E27 VanDerWaalsContact C-N 3.32Å; D25-A28 HydrophobicContact CB-CB 4.28Å; D25-A28 WeakPolarHBondContact O-CB 3.48Å; D25-A28 PolarHBondContact O-N 2.82Å; D25-A28 VanDerWaalsContact O-N 3.14Å; D25-M29 PolarHBondContact O-N 2.82Å | ||
| 26 | C | 61.4 | Low | 58.4 | Low | 42 Ų | 42 | 106.1 Ų | 106.1 | 28% | 0.284 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -22.9 | -178.6 | -64.2 | 0 | 0 | 0 | 0 | 114.3 | M29 S109 C110 | C26-M29 VanDerWaalsContact O-O 3.07Å; C26-S109 PolarHBondContact N-OG 2.86Å; C26-S109 VanDerWaalsContact SG-CB 3.53Å; C26-S109 PolarHBondContact SG-O 3.45Å; C26-S109 PolarHBondContact SG-OG 2.85Å; C26-C110 WeakPolarHBondContact CA-SG 3.49Å; C26-C110 HydrophobicContact CB-CB 4.36Å; C26-C110 WeakPolarHBondContact CB-SG 3.31Å; C26-C110 WeakPolarHBondContact SG-CA 3.3Å; C26-C110 WeakPolarHBondContact SG-CB 3.44Å; C26-C110 PolarHBondContact SG-N 3.07Å; C26-C110 CovalentContact SG-SG 2.04Å; C26-C110 PolarHBondContact SG-SG 3.45Å |
| 27 | E | 57 | Low | 61 | Low | 184 Ų | 184 | 101.7 Ų | 101.7 | 86% | 0.86 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -28 | 169.6 | -75.5 | -176.2 | 152.6 | 0 | 0 | 110.9 | D25 | D25-E27 VanDerWaalsContact C-N 3.32Š|
| 28 | A | 57.6 | Low | 63.3 | Low | 77 Ų | 77 | 99.2 Ų | 99.2 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -32.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | D25 K30 | D25-A28 HydrophobicContact CB-CB 4.28Å; D25-A28 WeakPolarHBondContact O-CB 3.48Å; D25-A28 PolarHBondContact O-N 2.82Å; D25-A28 VanDerWaalsContact O-N 3.14Å; A28-K30 PolarHBondContact O-N 2.88Å |
| 29 | M | 60.7 | Low | 66 | Low | 20 Ų | 20 | 94.5 Ų | 94.5 | 10% | 0.099 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -78.5 | 104.5 | 176.2 | -166.6 | 173.7 | -164 | 0 | 0 | 109.6 | D25 C26 T31 E33 F34 L63 C110 | D25-M29 PolarHBondContact O-N 2.82Å; C26-M29 VanDerWaalsContact O-O 3.07Å; M29-T31 PolarHBondContact O-N 2.96Å; M29-E33 HydrophobicContact CE-CB 4.25Å; M29-E33 HydrophobicContact CE-CG 4.03Å; M29-E33 HydrophobicContact CG-CB 3.97Å; M29-E33 HydrophobicContact CG-CG 4.27Å; M29-F34 HydrophobicContact CE-CB 3.64Å; M29-F34 HydrophobicContact CE-CD2 3.84Å; M29-F34 HydrophobicContact CE-CG 4.14Å; M29-F34 HydrophobicContact SD-CB 3.8Å; M29-F34 HydrophobicContact SD-CD2 4.41Å; M29-F34 HydrophobicContact SD-CG 4.31Å; M29-L63 HydrophobicContact CE-CD1 3.86Å; M29-C110 HydrophobicContact SD-CB 4.46Å |
| 30 | K | 59.3 | Low | 68.4 | Low | 158 Ų | 158 | 92.8 Ų | 92.8 | 69% | 0.687 | 50% | 0.5 | S | S | * | . | trans | -54.3 | 142.3 | 179.5 | -71.5 | -175.1 | 178.4 | 178.8 | 0 | 109.6 | A28 N32 E33 | A28-K30 PolarHBondContact O-N 2.88Å; K30-N32 PolarHBondContact O-N 3.24Å; K30-E33 WeakPolarHBondContact O-CA 3.49Å; K30-E33 VanDerWaalsContact O-CB 3.22Å; K30-E33 WeakPolarHBondContact O-CB 3.45Å; K30-E33 PolarHBondContact O-N 3.01Å | ||
| 31 | T | 55.6 | Low | 70.9 | Confident | 106 Ų | 106 | 82.3 Ų | 82.3 | 65% | 0.65 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -20.3 | 179.4 | 2.2 | 0 | 0 | 0 | 0 | 114.1 | M29 | M29-T31 PolarHBondContact O-N 2.96Š|
| 32 | N | 56.6 | Low | 73.4 | Confident | 154 Ų | 154 | 82.4 Ų | 82.4 | 82% | 0.824 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.3 | 174.5 | -66.6 | -26.4 | 0 | 0 | 0 | 114.2 | K30 | K30-N32 PolarHBondContact O-N 3.24Š|
| 33 | E | 71.3 | Confident | 75.6 | Confident | 105 Ų | 105 | 80.1 Ų | 80.1 | 49% | 0.491 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -21.2 | -174.9 | -160.2 | 167.9 | -174.6 | 0 | 0 | 112.4 | M29 K30 | M29-E33 HydrophobicContact CE-CB 4.25Å; M29-E33 HydrophobicContact CE-CG 4.03Å; M29-E33 HydrophobicContact CG-CB 3.97Å; M29-E33 HydrophobicContact CG-CG 4.27Å; K30-E33 WeakPolarHBondContact O-CA 3.49Å; K30-E33 VanDerWaalsContact O-CB 3.22Å; K30-E33 WeakPolarHBondContact O-CB 3.45Å; K30-E33 PolarHBondContact O-N 3.01Å |
| 34 | F | 85.5 | Confident | 77.8 | Confident | 8 Ų | 8 | 80.8 Ų | 80.8 | 4% | 0.035 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -123.6 | 77.8 | 172.4 | -159.1 | -113.1 | 0 | 0 | 0 | 111.9 | M29 H58 L63 I65 A105 V107 C110 K112 | M29-F34 HydrophobicContact CE-CB 3.64Å; M29-F34 HydrophobicContact CE-CD2 3.84Å; M29-F34 HydrophobicContact CE-CG 4.14Å; M29-F34 HydrophobicContact SD-CB 3.8Å; M29-F34 HydrophobicContact SD-CD2 4.41Å; M29-F34 HydrophobicContact SD-CG 4.31Å; F34-H58 AromaticContact CD2-CE1 3.66Å; F34-H58 AromaticContact CD2-NE2 3.53Å; F34-H58 AromaticContact CE2-CE1 3.77Å; F34-H58 AromaticContact CE2-NE2 3.53Å; F34-L63 HydrophobicContact CD2-CD1 3.8Å; F34-L63 HydrophobicContact CE2-CD1 3.97Å; F34-I65 HydrophobicContact CE2-CD1 4.14Å; F34-A105 HydrophobicContact CE1-CB 4.35Å; F34-A105 HydrophobicContact CZ-CB 3.87Å; F34-V107 HydrophobicContact CD2-CG2 4.47Å; F34-V107 HydrophobicContact CE2-CB 4.27Å; F34-V107 HydrophobicContact CE2-CG2 3.57Å; F34-V107 HydrophobicContact CZ-CB 4.49Å; F34-V107 HydrophobicContact CZ-CG2 3.94Å; F34-C110 HydrophobicContact CD1-CB 4.18Å; F34-K112 HydrophobicContact CD1-CB 4.37Å; F34-K112 HydrophobicContact CD1-CG 3.84Å; F34-K112 HydrophobicContact CE1-CB 4.31Å; F34-K112 HydrophobicContact CE1-CG 4.25Å |
| 35 | P | 89.9 | Confident | 79.8 | Confident | 48 Ų | 48 | 79.8 Ų | 79.8 | 31% | 0.312 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 166 | 177.9 | 28.9 | -36 | 0 | 0 | 0 | 112.4 | H58 K59 | P35-H58 PolarHBondContact O-CD2 3.48Å; P35-H58 PolarHBondContact O-NE2 3.43Å; P35-K59 HydrophobicContact CG-CB 4.28Å |
| 36 | S | 94.4 | Very high | 81.7 | Confident | 73 Ų | 73 | 76.2 Ų | 76.2 | 51% | 0.51 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -59 | 140 | 171.1 | -79.7 | 0 | 0 | 0 | 0 | 111.7 | Y113 | S36-Y113 VanDerWaalsContact CB-O 3.26Å; S36-Y113 WeakPolarHBondContact CB-O 3.49Å; S36-Y113 PolarHBondContact OG-O 2.84Å |
| 37 | P | 96.9 | Very high | 83.2 | Confident | 6 Ų | 6 | 78.1 Ų | 78.1 | 4% | 0.039 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 158.7 | 172.1 | 30.2 | -35.6 | 0 | 0 | 0 | 111.5 | S57 A105 K112 S114 | P37-S57 CarbonylContact C-O 3.53Å; P37-S57 VanDerWaalsContact CA-O 3.28Å; P37-S57 WeakPolarHBondContact CA-O 3.42Å; P37-S57 WeakPolarHBondContact CB-O 3.43Å; P37-A105 HydrophobicContact CB-CB 3.85Å; P37-A105 HydrophobicContact CG-CB 3.7Å; P37-K112 WeakPolarHBondContact CD-O 3.19Å; P37-S114 VanDerWaalsContact O-CA 3.3Å; P37-S114 WeakPolarHBondContact O-CA 3.4Å; P37-S114 WeakPolarHBondContact O-CB 3.44Å |
| 38 | C | 97.7 | Very high | 84.8 | Confident | 75 Ų | 75 | 74.8 Ų | 74.8 | 51% | 0.507 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.8 | 172 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | C56 S57 | C38-C56 CarbonylContact O-C 3.48Å; C38-C56 WeakPolarHBondContact O-CA 3.5Å; C38-S57 PolarHBondContact N-O 2.75Å; C38-S57 PolarHBondContact O-N 2.87Å |
| 39 | L | 98.6 | Very high | 86.3 | Confident | 15 Ų | 15 | 73.3 Ų | 73.3 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.2 | 172.3 | -179.1 | 62.1 | 0 | 0 | 0 | 108.5 | M54 F55 C56 L69 C103 F117 | L39-M54 HydrophobicContact CD1-CB 4.12Å; L39-M54 HydrophobicContact CD1-CE 3.8Å; L39-M54 HydrophobicContact CD2-CE 3.7Å; L39-M54 HydrophobicContact CG-CE 3.64Å; L39-F55 WeakPolarHBondContact CA-O 3.41Å; L39-C56 HydrophobicContact CD1-CB 4.19Å; L39-L69 HydrophobicContact CD1-CD1 4.02Å; L39-L69 HydrophobicContact CD2-CD1 3.88Å; L39-C103 HydrophobicContact CB-CB 4.14Å; L39-C103 HydrophobicContact CD1-CB 4.09Å; L39-C103 HydrophobicContact CD2-CB 4.28Å; L39-C103 HydrophobicContact CG-CB 4.41Å; L39-F117 HydrophobicContact CD2-CB 4.05Å; L39-F117 HydrophobicContact CG-CB 4.3Å |
| 40 | D | 97.9 | Very high | 87.9 | Confident | 77 Ų | 77 | 75 Ų | 75 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 170.6 | -179.4 | -160.2 | 14.4 | 0 | 0 | 0 | 112 | M54 F55 | D40-M54 CarbonylContact O-C 3.59Å; D40-M54 WeakPolarHBondContact O-CA 3.3Å; D40-F55 PolarHBondContact N-O 3.43Å; D40-F55 PolarHBondContact O-N 3.39Å |
| 41 | S | 97.9 | Very high | 89.6 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 8% | 0.077 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 154.2 | 173.8 | 167.8 | 0 | 0 | 0 | 0 | 109.2 | T43 S53 | S41-T43 VanDerWaalsContact CB-O 3.31Å; S41-T43 WeakPolarHBondContact CB-O 3.39Å; S41-T43 PolarHBondContact O-N 2.95Å; S41-T43 VanDerWaalsContact O-N 3.11Å; S41-T43 PolarHBondContact OG-N 3.11Å; S41-T43 PolarHBondContact OG-O 3.46Å; S41-S53 PolarHBondContact OG-O 3.47Å |
| 42 | K | 96.8 | Very high | 91.6 | Very high | 192 Ų | 192 | 68.8 Ų | 68.8 | 84% | 0.835 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -57 | -27.3 | 175.3 | -71.8 | -179.2 | 179.8 | 179.9 | 0 | 113.1 | F55 | K42-F55 HydrophobicContact CG-CE2 3.94Å; K42-F55 HydrophobicContact CG-CZ 4.33Å |
| 43 | T | 95.6 | Very high | 93.5 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | trans | -135 | 149.3 | 175.2 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | S41 V45 V46 F119 | S41-T43 VanDerWaalsContact CB-O 3.31Å; S41-T43 WeakPolarHBondContact CB-O 3.39Å; S41-T43 PolarHBondContact O-N 2.95Å; S41-T43 VanDerWaalsContact O-N 3.11Å; S41-T43 PolarHBondContact OG-N 3.11Å; S41-T43 PolarHBondContact OG-O 3.46Å; T43-V45 WeakPolarHBondContact CG2-O 3.46Å; T43-V45 PolarHBondContact OG1-N 3.47Å; T43-V45 PolarHBondContact OG1-O 3.33Å; T43-V46 HydrophobicContact CG2-CG1 3.94Å; T43-F119 VanDerWaalsContact O-CE1 3.27Å; T43-F119 WeakPolarHBondContact O-CE1 3.5Å | ||
| 44 | K | 95.6 | Very high | 94.8 | Very high | 131 Ų | 131 | 58.3 Ų | 58.3 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -99.6 | -11.9 | 167.2 | -64.4 | -173.6 | 178.7 | -178.5 | 0 | 112.5 | F117 F119 T120 | K44-F117 HydrophobicContact CG-CE2 4.07Å; K44-F117 HydrophobicContact CG-CZ 3.96Å; K44-F119 CarbonylContact O-C 3.56Å; K44-F119 VanDerWaalsContact O-CA 3.3Å; K44-F119 WeakPolarHBondContact O-CA 3.41Å; K44-T120 PolarHBondContact O-N 3.05Å |
| 45 | V | 94.9 | Very high | 95.4 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.5 | -178.1 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | T43 T120 V122 | T43-V45 WeakPolarHBondContact CG2-O 3.46Å; T43-V45 PolarHBondContact OG1-N 3.47Å; T43-V45 PolarHBondContact OG1-O 3.33Å; V45-T120 WeakPolarHBondContact CA-O 3.36Å; V45-V122 HydrophobicContact CG1-CB 4.14Å; V45-V122 HydrophobicContact CG1-CG1 3.56Å; V45-V122 HydrophobicContact CG1-CG2 3.44Å; V45-V122 VanDerWaalsContact CG1-CG2 3.44Å |
| 46 | V | 95.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 153 | -175 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | T43 Q50 V52 I92 F119 T120 I121 V122 | T43-V46 HydrophobicContact CG2-CG1 3.94Å; V46-Q50 HydrophobicContact CB-CB 4.4Å; V46-V52 HydrophobicContact CG1-CG1 3.63Å; V46-I92 HydrophobicContact CG2-CB 4.36Å; V46-I92 HydrophobicContact CG2-CG1 4.41Å; V46-I92 HydrophobicContact CG2-CG2 4.15Å; V46-F119 HydrophobicContact CG1-CB 4.4Å; V46-F119 HydrophobicContact CG1-CD1 3.42Å; V46-F119 VanDerWaalsContact CG1-CD1 3.42Å; V46-F119 HydrophobicContact CG1-CE1 3.81Å; V46-F119 HydrophobicContact CG1-CG 4.05Å; V46-F119 HydrophobicContact CG2-CB 3.75Å; V46-F119 HydrophobicContact CG2-CD1 4.3Å; V46-F119 HydrophobicContact CG2-CG 4.12Å; V46-T120 PolarHBondContact N-O 2.9Å; V46-I121 HydrophobicContact CG2-CG1 3.95Å; V46-I121 CarbonylContact O-C 3.56Å; V46-I121 VanDerWaalsContact O-CA 3.29Å; V46-I121 WeakPolarHBondContact O-CA 3.22Å; V46-V122 PolarHBondContact O-N 2.84Å |
| 47 | M | 92 | Very high | 95.9 | Very high | 82 Ų | 82 | 56.5 Ų | 56.5 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | trans | -95.8 | 159.4 | 168.6 | -63.7 | 175.2 | -68.6 | 0 | 0 | 110.4 | G49 Q50 V122 P124 | M47-G49 PolarHBondContact O-N 2.85Å; M47-Q50 WeakPolarHBondContact O-CB 3.41Å; M47-Q50 PolarHBondContact O-N 2.68Å; M47-Q50 VanDerWaalsContact O-N 3.11Å; M47-V122 HydrophobicContact CG-CG2 4.16Å; M47-P124 HydrophobicContact SD-CB 3.91Å; M47-P124 HydrophobicContact SD-CG 4.42Å | ||
| 48 | K | 90.9 | Very high | 95.7 | Very high | 114 Ų | 114 | 56.8 Ų | 56.8 | 50% | 0.496 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 138.1 | 170.4 | -67.3 | -175.9 | -177.8 | -178 | 0 | 110.5 | Q50 I92 I121 | K48-Q50 VanDerWaalsContact C-N 3.26Å; K48-Q50 PolarHBondContact O-N 2.81Å; K48-I92 CarbonylContact C-O 3.57Å; K48-I121 HydrophobicContact CG-CG2 4.17Å |
| 49 | G | 89.7 | Confident | 95.5 | Very high | 47 Ų | 47 | 62.3 Ų | 62.3 | 49% | 0.485 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 0.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | M47 I92 | M47-G49 PolarHBondContact O-N 2.85Å; G49-I92 PolarHBondContact N-O 2.85Å |
| 50 | Q | 92.9 | Very high | 95.1 | Very high | 56 Ų | 56 | 63.7 Ų | 63.7 | 26% | 0.262 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 132.1 | -179.5 | -173.4 | 174.5 | -29.3 | 0 | 0 | 111.4 | V46 M47 K48 V52 I92 | V46-Q50 HydrophobicContact CB-CB 4.4Å; M47-Q50 WeakPolarHBondContact O-CB 3.41Å; M47-Q50 PolarHBondContact O-N 2.68Å; M47-Q50 VanDerWaalsContact O-N 3.11Å; K48-Q50 VanDerWaalsContact C-N 3.26Å; K48-Q50 PolarHBondContact O-N 2.81Å; Q50-V52 HydrophobicContact CG-CG1 4.34Å; Q50-I92 PolarHBondContact O-N 3.12Å |
| 51 | N | 95.9 | Very high | 94.7 | Very high | 123 Ų | 123 | 66.4 Ų | 66.4 | 66% | 0.658 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 134.2 | 170.4 | -66.6 | -16.8 | 0 | 0 | 0 | 110.3 | L90 S91 | N51-L90 CarbonylContact C-O 3.51Å; N51-L90 WeakPolarHBondContact CA-O 3.27Å; N51-S91 VanDerWaalsContact OD1-CB 3.24Å; N51-S91 WeakPolarHBondContact OD1-CB 3.19Å; N51-S91 PolarHBondContact OD1-OG 2.84Å |
| 52 | V | 96.7 | Very high | 94.3 | Very high | 10 Ų | 10 | 69.8 Ų | 69.8 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 157.6 | -178.1 | -64.2 | 0 | 0 | 0 | 0 | 111 | V46 Q50 N89 L90 I92 F119 | V46-V52 HydrophobicContact CG1-CG1 3.63Å; Q50-V52 HydrophobicContact CG-CG1 4.34Å; V52-N89 WeakPolarHBondContact O-CA 3.35Å; V52-L90 HydrophobicContact CG2-CB 3.97Å; V52-L90 PolarHBondContact N-O 3.28Å; V52-L90 PolarHBondContact O-N 3.11Å; V52-I92 HydrophobicContact CG2-CD1 4.25Å; V52-I92 HydrophobicContact CG2-CG1 3.93Å; V52-F119 HydrophobicContact CB-CE1 4.33Å; V52-F119 HydrophobicContact CB-CZ 3.98Å; V52-F119 HydrophobicContact CG1-CE1 4.14Å; V52-F119 HydrophobicContact CG1-CZ 4.22Å; V52-F119 HydrophobicContact CG2-CE1 4.33Å; V52-F119 HydrophobicContact CG2-CE2 3.98Å; V52-F119 HydrophobicContact CG2-CZ 3.58Å |
| 53 | S | 97.7 | Very high | 94 | Very high | 38 Ų | 38 | 61.8 Ų | 61.8 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125 | 173.3 | -56.9 | 0 | 0 | 0 | 0 | 109.1 | S41 F55 F88 N89 | S41-S53 PolarHBondContact OG-O 3.47Å; S53-F55 WeakPolarHBondContact O-CD2 3.38Å; S53-F55 WeakPolarHBondContact O-CE2 3.44Å; S53-F88 WeakPolarHBondContact CA-O 3.24Å; S53-N89 WeakPolarHBondContact CB-OD1 3.1Å; S53-N89 PolarHBondContact OG-OD1 2.99Å |
| 54 | M | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.4 | 173.1 | -64 | -63.7 | -74.6 | 0 | 0 | 109.1 | L39 D40 L69 I87 F88 L90 Y101 F117 F119 | L39-M54 HydrophobicContact CD1-CB 4.12Å; L39-M54 HydrophobicContact CD1-CE 3.8Å; L39-M54 HydrophobicContact CD2-CE 3.7Å; L39-M54 HydrophobicContact CG-CE 3.64Å; D40-M54 CarbonylContact O-C 3.59Å; D40-M54 WeakPolarHBondContact O-CA 3.3Å; M54-L69 HydrophobicContact CB-CD2 4.34Å; M54-L69 HydrophobicContact CG-CD2 4.44Å; M54-I87 WeakPolarHBondContact O-CA 3.41Å; M54-F88 HydrophobicContact CB-CB 4.3Å; M54-F88 PolarHBondContact N-O 2.76Å; M54-F88 PolarHBondContact O-N 3.35Å; M54-L90 HydrophobicContact CG-CD1 3.68Å; M54-L90 HydrophobicContact CG-CG 4.42Å; M54-Y101 HydrophobicContact CE-CG 4.28Å; M54-F117 HydrophobicContact CE-CB 4.15Å; M54-F117 HydrophobicContact CE-CD1 3.42Å; M54-F117 VanDerWaalsContact CE-CD1 3.42Å; M54-F117 HydrophobicContact CE-CD2 4.47Å; M54-F117 HydrophobicContact CE-CE1 3.91Å; M54-F117 HydrophobicContact CE-CG 3.76Å; M54-F117 HydrophobicContact SD-CD1 4.16Å; M54-F117 HydrophobicContact SD-CE1 4.05Å; M54-F119 HydrophobicContact SD-CE1 4.42Å; M54-F119 HydrophobicContact SD-CE2 3.68Å; M54-F119 HydrophobicContact SD-CZ 3.35Å; M54-F119 WeakPolarHBondContact SD-CZ 3.21Å |
| 55 | F | 98.1 | Very high | 93.8 | Very high | 49 Ų | 49 | 60.4 Ų | 60.4 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 114.9 | -178.7 | -55.7 | -89.2 | 0 | 0 | 0 | 108.8 | L39 D40 K42 S53 P85 A86 I87 | L39-F55 WeakPolarHBondContact CA-O 3.41Å; D40-F55 PolarHBondContact N-O 3.43Å; D40-F55 PolarHBondContact O-N 3.39Å; K42-F55 HydrophobicContact CG-CE2 3.94Å; K42-F55 HydrophobicContact CG-CZ 4.33Å; S53-F55 WeakPolarHBondContact O-CD2 3.38Å; S53-F55 WeakPolarHBondContact O-CE2 3.44Å; F55-P85 HydrophobicContact CB-CB 4.28Å; F55-A86 WeakPolarHBondContact CA-O 2.92Å; F55-I87 HydrophobicContact CD1-CD1 4.26Å; F55-I87 HydrophobicContact CD1-CG1 3.86Å; F55-I87 HydrophobicContact CD1-CG2 4.42Å; F55-I87 HydrophobicContact CE1-CD1 3.96Å; F55-I87 HydrophobicContact CE1-CG1 3.98Å; F55-I87 HydrophobicContact CE1-CG2 4.08Å |
| 56 | C | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 118.8 | 171.8 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | C38 L39 Y67 P85 A86 F88 C103 | C38-C56 CarbonylContact O-C 3.48Å; C38-C56 WeakPolarHBondContact O-CA 3.5Å; L39-C56 HydrophobicContact CD1-CB 4.19Å; C56-Y67 HydrophobicContact CB-CD1 4.17Å; C56-Y67 WeakPolarHBondContact SG-CD1 3.37Å; C56-P85 CarbonylContact O-C 3.59Å; C56-P85 WeakPolarHBondContact O-CA 3.47Å; C56-A86 PolarHBondContact N-O 2.82Å; C56-A86 PolarHBondContact O-N 2.72Å; C56-F88 HydrophobicContact CB-CE2 4.27Å; C56-C103 HydrophobicContact CB-CB 3.73Å; C56-C103 WeakPolarHBondContact CB-SG 3.44Å; C56-C103 WeakPolarHBondContact SG-CB 3.4Å; C56-C103 CovalentContact SG-SG 2.01Å; C56-C103 PolarHBondContact SG-SG 2.73Å |
| 57 | S | 96.3 | Very high | 94.1 | Very high | 42 Ų | 42 | 59.7 Ų | 59.7 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 159.1 | -176.6 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | P37 C38 | P37-S57 CarbonylContact C-O 3.53Å; P37-S57 VanDerWaalsContact CA-O 3.28Å; P37-S57 WeakPolarHBondContact CA-O 3.42Å; P37-S57 WeakPolarHBondContact CB-O 3.43Å; C38-S57 PolarHBondContact N-O 2.75Å; C38-S57 PolarHBondContact O-N 2.87Å |
| 58 | H | 94.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | trans | -129.7 | 142.1 | 176.7 | -169.2 | -94.6 | 0 | 0 | 0 | 110 | F34 P35 N60 I65 Y67 | F34-H58 AromaticContact CD2-CE1 3.66Å; F34-H58 AromaticContact CD2-NE2 3.53Å; F34-H58 AromaticContact CE2-CE1 3.77Å; F34-H58 AromaticContact CE2-NE2 3.53Å; P35-H58 PolarHBondContact O-CD2 3.48Å; P35-H58 PolarHBondContact O-NE2 3.43Å; H58-N60 VanDerWaalsContact C-N 3.26Å; H58-N60 WeakPolarHBondContact ND1-CB 3.23Å; H58-N60 PolarHBondContact ND1-N 2.89Å; H58-N60 PolarHBondContact ND1-O 2.65Å; H58-N60 PolarHBondContact O-N 2.78Å; H58-I65 HydrophobicContact CB-CD1 3.46Å; H58-I65 VanDerWaalsContact CB-CD1 3.46Å; H58-I65 VanDerWaalsContact CG-CD1 3.44Å; H58-Y67 HydrophobicContact CB-CE1 4.21Å; H58-Y67 VanDerWaalsContact CB-OH 3.27Å; H58-Y67 WeakPolarHBondContact CB-OH 3.34Å; H58-Y67 PolarHBondContact N-OH 2.87Å | ||
| 59 | K | 92.7 | Very high | 94.7 | Very high | 191 Ų | 191 | 51 Ų | 51 | 83% | 0.83 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -62.8 | -36.1 | -177.6 | -173.9 | 179.4 | 179 | -177.4 | 0 | 111.9 | P35 K61 | P35-K59 HydrophobicContact CG-CB 4.28Å; K59-K61 PolarHBondContact O-N 3.35Å |
| 60 | N | 89.9 | Confident | 95.2 | Very high | 45 Ų | 45 | 50.5 Ų | 50.5 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | trans | -82.9 | 105.3 | 175.7 | -167.7 | -17.9 | 0 | 0 | 0 | 110.4 | H58 S62 L63 | H58-N60 VanDerWaalsContact C-N 3.26Å; H58-N60 WeakPolarHBondContact ND1-CB 3.23Å; H58-N60 PolarHBondContact ND1-N 2.89Å; H58-N60 PolarHBondContact ND1-O 2.65Å; H58-N60 PolarHBondContact O-N 2.78Å; N60-S62 PolarHBondContact OD1-N 3.41Å; N60-S62 VanDerWaalsContact OD1-N 3.15Å; N60-S62 PolarHBondContact OD1-OG 3.21Å; N60-L63 HydrophobicContact CB-CD1 3.93Å; N60-L63 HydrophobicContact CB-CG 4.27Å; N60-L63 WeakPolarHBondContact ND2-CD1 3.42Å | ||
| 61 | K | 90.3 | Very high | 95.4 | Very high | 134 Ų | 134 | 50 Ų | 50 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -83.2 | -13.5 | -177.3 | -68.7 | -164.8 | 175.8 | -164.4 | 0 | 114.5 | K59 G83 | K59-K61 PolarHBondContact O-N 3.35Å; K61-G83 VanDerWaalsContact O-CA 3.24Å; K61-G83 WeakPolarHBondContact O-CA 3.48Å; K61-G83 PolarHBondContact O-N 2.74Å; K61-G83 VanDerWaalsContact O-N 3.07Å |
| 62 | S | 89.7 | Confident | 95.4 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 57% | 0.566 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -85.7 | -14.7 | -178 | 66 | 0 | 0 | 0 | 0 | 113.3 | N60 K82 | N60-S62 PolarHBondContact OD1-N 3.41Å; N60-S62 VanDerWaalsContact OD1-N 3.15Å; N60-S62 PolarHBondContact OD1-OG 3.21Å; S62-K82 WeakPolarHBondContact O-CE 3.3Å |
| 63 | L | 88.8 | Confident | 95.3 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -80.4 | 139.4 | 179.9 | -62.4 | 175.9 | 0 | 0 | 0 | 111.1 | M29 F34 N60 I65 V107 | M29-L63 HydrophobicContact CE-CD1 3.86Å; F34-L63 HydrophobicContact CD2-CD1 3.8Å; F34-L63 HydrophobicContact CE2-CD1 3.97Å; N60-L63 HydrophobicContact CB-CD1 3.93Å; N60-L63 HydrophobicContact CB-CG 4.27Å; N60-L63 WeakPolarHBondContact ND2-CD1 3.42Å; L63-I65 HydrophobicContact CB-CD1 4Å; L63-I65 HydrophobicContact CB-CG1 3.68Å; L63-V107 HydrophobicContact CB-CG2 4.26Å; L63-V107 HydrophobicContact CD1-CG2 4.34Å |
| 64 | Q | 93.3 | Very high | 95.3 | Very high | 150 Ų | 150 | 62 Ų | 62 | 70% | 0.701 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 111.1 | 163.7 | -172.4 | 164.3 | 20.4 | 0 | 0 | 107.8 | ||
| 65 | I | 94.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.3 | -169.3 | -56.2 | -177.4 | 0 | 0 | 0 | 109.2 | F34 H58 L63 Y67 D80 G81 A105 V107 | F34-I65 HydrophobicContact CE2-CD1 4.14Å; H58-I65 HydrophobicContact CB-CD1 3.46Å; H58-I65 VanDerWaalsContact CB-CD1 3.46Å; H58-I65 VanDerWaalsContact CG-CD1 3.44Å; L63-I65 HydrophobicContact CB-CD1 4Å; L63-I65 HydrophobicContact CB-CG1 3.68Å; I65-Y67 HydrophobicContact CB-CD2 4.4Å; I65-Y67 HydrophobicContact CB-CE1 4.38Å; I65-Y67 HydrophobicContact CB-CE2 3.83Å; I65-Y67 HydrophobicContact CG2-CD1 3.97Å; I65-Y67 HydrophobicContact CG2-CD2 4.17Å; I65-Y67 HydrophobicContact CG2-CE1 3.69Å; I65-Y67 HydrophobicContact CG2-CE2 3.9Å; I65-Y67 HydrophobicContact CG2-CG 4.24Å; I65-D80 WeakPolarHBondContact O-CA 3.4Å; I65-G81 PolarHBondContact N-O 2.93Å; I65-G81 PolarHBondContact O-N 2.94Å; I65-A105 HydrophobicContact CG2-CB 3.69Å; I65-V107 HydrophobicContact CB-CG2 4.17Å; I65-V107 HydrophobicContact CD1-CG2 4.46Å; I65-V107 HydrophobicContact CG1-CG2 3.58Å; I65-V107 HydrophobicContact CG2-CG2 4.36Å |
| 66 | T | 97.2 | Very high | 95.3 | Very high | 50 Ų | 50 | 67.2 Ų | 67.2 | 31% | 0.307 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 114.9 | 166.1 | -57.3 | 0 | 0 | 0 | 0 | 109 | T78 D80 Q106 | T66-T78 HydrophobicContact CG2-CG2 3.4Å; T66-D80 VanDerWaalsContact CA-OD1 3.31Å; T66-D80 WeakPolarHBondContact CA-OD1 3.25Å; T66-D80 VanDerWaalsContact CB-OD1 3.22Å; T66-D80 WeakPolarHBondContact CB-OD1 3.34Å; T66-D80 WeakPolarHBondContact CG2-OD1 3.45Å; T66-D80 PolarHBondContact OG1-OD1 2.87Å; T66-Q106 PolarHBondContact N-O 2.81Å; T66-Q106 PolarHBondContact O-N 2.77Å |
| 67 | Y | 98.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.4 | 176.1 | -61.7 | -80.2 | 0 | 0 | 0 | 110.5 | C56 H58 I65 T78 Q79 A86 K104 A105 | C56-Y67 HydrophobicContact CB-CD1 4.17Å; C56-Y67 WeakPolarHBondContact SG-CD1 3.37Å; H58-Y67 HydrophobicContact CB-CE1 4.21Å; H58-Y67 VanDerWaalsContact CB-OH 3.27Å; H58-Y67 WeakPolarHBondContact CB-OH 3.34Å; H58-Y67 PolarHBondContact N-OH 2.87Å; I65-Y67 HydrophobicContact CB-CD2 4.4Å; I65-Y67 HydrophobicContact CB-CE1 4.38Å; I65-Y67 HydrophobicContact CB-CE2 3.83Å; I65-Y67 HydrophobicContact CG2-CD1 3.97Å; I65-Y67 HydrophobicContact CG2-CD2 4.17Å; I65-Y67 HydrophobicContact CG2-CE1 3.69Å; I65-Y67 HydrophobicContact CG2-CE2 3.9Å; I65-Y67 HydrophobicContact CG2-CG 4.24Å; Y67-T78 CarbonylContact O-C 3.56Å; Y67-T78 WeakPolarHBondContact O-CA 3.48Å; Y67-T78 WeakPolarHBondContact O-CG2 3.38Å; Y67-Q79 PolarHBondContact N-O 2.72Å; Y67-Q79 PolarHBondContact O-N 3.3Å; Y67-A86 HydrophobicContact CD2-CB 3.52Å; Y67-A86 HydrophobicContact CE2-CB 4.26Å; Y67-A86 HydrophobicContact CG-CB 3.77Å; Y67-K104 CarbonylContact C-O 3.59Å; Y67-K104 VanDerWaalsContact CA-O 3.26Å; Y67-K104 WeakPolarHBondContact CA-O 3.28Å; Y67-A105 HydrophobicContact CD1-CB 3.98Å; Y67-A105 HydrophobicContact CE1-CB 3.94Å |
| 68 | S | 98.5 | Very high | 95.4 | Very high | 13 Ų | 13 | 69.4 Ų | 69.4 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.1 | 174.1 | -60 | 0 | 0 | 0 | 0 | 110.3 | F70 G77 T78 C103 K104 | S68-F70 WeakPolarHBondContact O-CD2 3.42Å; S68-G77 CarbonylContact C-O 3.56Å; S68-G77 VanDerWaalsContact CA-O 3.32Å; S68-G77 WeakPolarHBondContact CA-O 3.11Å; S68-T78 PolarHBondContact OG-OG1 2.58Å; S68-C103 CarbonylContact O-C 3.57Å; S68-C103 WeakPolarHBondContact O-CA 3.27Å; S68-K104 PolarHBondContact N-O 2.85Å; S68-K104 PolarHBondContact O-N 3.02Å |
| 69 | L | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136.2 | 178.4 | -174.2 | 69.5 | 0 | 0 | 0 | 110.4 | L39 M54 L76 G77 F88 L90 Y101 | L39-L69 HydrophobicContact CD1-CD1 4.02Å; L39-L69 HydrophobicContact CD2-CD1 3.88Å; M54-L69 HydrophobicContact CB-CD2 4.34Å; M54-L69 HydrophobicContact CG-CD2 4.44Å; L69-L76 HydrophobicContact CD2-CB 4.48Å; L69-L76 HydrophobicContact CD2-CD1 4.14Å; L69-L76 HydrophobicContact CG-CD1 4.41Å; L69-L76 PolarHBondContact O-N 3.22Å; L69-G77 PolarHBondContact N-O 3.26Å; L69-F88 HydrophobicContact CB-CD1 3.82Å; L69-F88 HydrophobicContact CB-CD2 3.94Å; L69-F88 HydrophobicContact CB-CE1 3.94Å; L69-F88 HydrophobicContact CB-CE2 4.05Å; L69-F88 HydrophobicContact CB-CG 3.83Å; L69-F88 HydrophobicContact CB-CZ 4.05Å; L69-F88 HydrophobicContact CD2-CB 3.55Å; L69-F88 HydrophobicContact CD2-CD1 4.31Å; L69-F88 HydrophobicContact CD2-CD2 4.22Å; L69-F88 HydrophobicContact CD2-CG 3.78Å; L69-F88 HydrophobicContact CG-CG 4.37Å; L69-L90 HydrophobicContact CD2-CD1 4.07Å; L69-L90 HydrophobicContact CD2-CD2 4.25Å; L69-L90 HydrophobicContact CD2-CG 4.48Å; L69-Y101 HydrophobicContact CD1-CD1 4.49Å; L69-Y101 HydrophobicContact CD2-CD1 4.43Å |
| 70 | F | 98.6 | Very high | 95.7 | Very high | 37 Ų | 37 | 68.6 Ų | 68.6 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.1 | 176.1 | -62.6 | -96.7 | 0 | 0 | 0 | 110.5 | S68 T74 H75 Y101 K102 K104 Y113 | S68-F70 WeakPolarHBondContact O-CD2 3.42Å; F70-T74 CarbonylContact C-O 3.53Å; F70-T74 WeakPolarHBondContact CA-O 3.47Å; F70-H75 HydrophobicContact CD1-CB 3.95Å; F70-H75 HydrophobicContact CE1-CB 3.68Å; F70-H75 AromaticContact CE1-CD2 3.88Å; F70-H75 HydrophobicContact CZ-CB 4.47Å; F70-H75 AromaticContact CZ-CD2 3.8Å; F70-Y101 CarbonylContact O-C 3.47Å; F70-Y101 WeakPolarHBondContact O-CA 3.29Å; F70-K102 PolarHBondContact N-O 2.8Å; F70-K102 PolarHBondContact O-N 2.84Å; F70-K104 HydrophobicContact CD2-CB 4.44Å; F70-K104 HydrophobicContact CE2-CB 3.88Å; F70-K104 HydrophobicContact CE2-CD 4.44Å; F70-Y113 HydrophobicContact CD2-CE1 4.18Å; F70-Y113 HydrophobicContact CE2-CE1 4.15Å |
| 71 | R | 97.9 | Very high | 95.8 | Very high | 45 Ų | 45 | 67.3 Ų | 67.3 | 17% | 0.17 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 112.9 | 162.9 | -179.7 | 173.3 | 75.4 | -170.6 | 10.6 | 108 | K73 T74 L76 E97 P100 Y101 | R71-K73 PolarHBondContact O-N 2.85Å; R71-T74 PolarHBondContact N-O 3.08Å; R71-T74 WeakPolarHBondContact O-CB 3.28Å; R71-T74 PolarHBondContact O-N 2.61Å; R71-L76 HydrophobicContact CB-CD1 3.73Å; R71-L76 HydrophobicContact CB-CD2 4.37Å; R71-L76 HydrophobicContact CB-CG 4.16Å; R71-E97 IonicContact CZ-OE1 3.01Å; R71-E97 VanDerWaalsContact NH1-CB 3.28Å; R71-E97 IonicContact NH1-OE1 3.63Å; R71-E97 PolarHBondContact NH1-OE1 3.03Å; R71-E97 IonicContact NH2-OE1 3.92Å; R71-E97 PolarHBondContact NH2-OE1 3.11Å; R71-E97 VanDerWaalsContact NH2-OE1 3.08Å; R71-P100 CarbonylContact C-O 3.6Å; R71-P100 WeakPolarHBondContact CA-O 3.19Å; R71-Y101 HydrophobicContact CB-CD1 3.92Å; R71-Y101 HydrophobicContact CB-CE1 3.77Å; R71-Y101 HydrophobicContact CG-CD1 4.35Å; R71-Y101 HydrophobicContact CG-CE1 4Å |
| 72 | R | 95.4 | Very high | 95.9 | Very high | 134 Ų | 134 | 67.3 Ų | 67.3 | 51% | 0.506 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | -108.1 | -166.2 | -58.7 | 175.7 | -179.7 | 85.7 | -0.6 | 110.1 | H96 G99 P100 | R72-H96 PolarHBondContact NH1-O 2.85Å; R72-H96 PolarHBondContact NH2-O 2.87Å; R72-G99 PolarHBondContact NH1-O 2.91Å; R72-G99 VanDerWaalsContact NH1-O 3.12Å; R72-G99 PolarHBondContact NH2-O 2.95Å; R72-P100 HydrophobicContact CG-CG 4.11Å; R72-P100 PolarHBondContact N-O 2.85Å |
| 73 | K | 94.8 | Very high | 95.9 | Very high | 204 Ų | 204 | 64.4 Ų | 64.4 | 89% | 0.887 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -7.8 | 177.4 | -61.7 | -177.5 | -179.2 | 179.2 | 0 | 113.1 | R71 | R71-K73 PolarHBondContact O-N 2.85Š|
| 74 | T | 97.6 | Very high | 96.1 | Very high | 84 Ų | 84 | 69.5 Ų | 69.5 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 122.8 | -176.9 | -52.9 | 0 | 0 | 0 | 0 | 109.7 | F70 R71 L76 | F70-T74 CarbonylContact C-O 3.53Å; F70-T74 WeakPolarHBondContact CA-O 3.47Å; R71-T74 PolarHBondContact N-O 3.08Å; R71-T74 WeakPolarHBondContact O-CB 3.28Å; R71-T74 PolarHBondContact O-N 2.61Å; T74-L76 HydrophobicContact CG2-CD2 4.2Å |
| 75 | H | 98.2 | Very high | 96.2 | Very high | 97 Ų | 97 | 64.8 Ų | 64.8 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 131.5 | 170.2 | 175.8 | -98.8 | 0 | 0 | 0 | 109.8 | F70 G77 T78 | F70-H75 HydrophobicContact CD1-CB 3.95Å; F70-H75 HydrophobicContact CE1-CB 3.68Å; F70-H75 AromaticContact CE1-CD2 3.88Å; F70-H75 HydrophobicContact CZ-CB 4.47Å; F70-H75 AromaticContact CZ-CD2 3.8Å; H75-G77 PolarHBondContact CE1-N 2.77Å; H75-G77 VanDerWaalsContact NE2-C 3.31Å; H75-G77 PolarHBondContact NE2-O 3.1Å; H75-G77 VanDerWaalsContact NE2-O 3.16Å; H75-T78 PolarHBondContact NE2-OG1 2.99Å |
| 76 | L | 98.1 | Very high | 96.3 | Very high | 63 Ų | 63 | 64.9 Ų | 64.9 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -22 | -178.4 | -61.6 | -174.6 | 0 | 0 | 0 | 113 | L69 R71 T74 L90 Y101 | L69-L76 HydrophobicContact CD2-CB 4.48Å; L69-L76 HydrophobicContact CD2-CD1 4.14Å; L69-L76 HydrophobicContact CG-CD1 4.41Å; L69-L76 PolarHBondContact O-N 3.22Å; R71-L76 HydrophobicContact CB-CD1 3.73Å; R71-L76 HydrophobicContact CB-CD2 4.37Å; R71-L76 HydrophobicContact CB-CG 4.16Å; T74-L76 HydrophobicContact CG2-CD2 4.2Å; L76-L90 HydrophobicContact CD1-CD2 4.01Å; L76-Y101 HydrophobicContact CD1-CD1 4.06Å; L76-Y101 HydrophobicContact CD1-CE1 3.61Å |
| 77 | G | 98.2 | Very high | 96.4 | Very high | 18 Ų | 18 | 66.1 Ų | 66.1 | 19% | 0.186 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | 165.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | S68 L69 H75 F88 | S68-G77 CarbonylContact C-O 3.56Å; S68-G77 VanDerWaalsContact CA-O 3.32Å; S68-G77 WeakPolarHBondContact CA-O 3.11Å; L69-G77 PolarHBondContact N-O 3.26Å; H75-G77 PolarHBondContact CE1-N 2.77Å; H75-G77 VanDerWaalsContact NE2-C 3.31Å; H75-G77 PolarHBondContact NE2-O 3.1Å; H75-G77 VanDerWaalsContact NE2-O 3.16Å; G77-F88 WeakPolarHBondContact O-CE1 3.33Å |
| 78 | T | 98.3 | Very high | 96.4 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.4 | 178.9 | -65.8 | 0 | 0 | 0 | 0 | 109.9 | T66 Y67 S68 H75 | T66-T78 HydrophobicContact CG2-CG2 3.4Å; Y67-T78 CarbonylContact O-C 3.56Å; Y67-T78 WeakPolarHBondContact O-CA 3.48Å; Y67-T78 WeakPolarHBondContact O-CG2 3.38Å; S68-T78 PolarHBondContact OG-OG1 2.58Å; H75-T78 PolarHBondContact NE2-OG1 2.99Å |
| 79 | Q | 97.4 | Very high | 96.3 | Very high | 76 Ų | 76 | 71.6 Ų | 71.6 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 139.1 | 175.7 | -68 | -175.2 | 30.3 | 0 | 0 | 110.3 | Y67 A86 I87 F88 | Y67-Q79 PolarHBondContact N-O 2.72Å; Y67-Q79 PolarHBondContact O-N 3.3Å; Q79-A86 HydrophobicContact CB-CB 4.06Å; Q79-I87 PolarHBondContact NE2-O 3.44Å; Q79-I87 PolarHBondContact OE1-O 2.9Å; Q79-F88 HydrophobicContact CB-CE1 4.44Å; Q79-F88 HydrophobicContact CB-CZ 4.23Å; Q79-F88 HydrophobicContact CG-CE1 3.96Å; Q79-F88 HydrophobicContact CG-CZ 4.22Å |
| 80 | D | 95.1 | Very high | 96.2 | Very high | 110 Ų | 110 | 73.1 Ų | 73.1 | 59% | 0.588 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 143.1 | 170.1 | -65.4 | -35.7 | 0 | 0 | 0 | 110.3 | I65 T66 | I65-D80 WeakPolarHBondContact O-CA 3.4Å; T66-D80 VanDerWaalsContact CA-OD1 3.31Å; T66-D80 WeakPolarHBondContact CA-OD1 3.25Å; T66-D80 VanDerWaalsContact CB-OD1 3.22Å; T66-D80 WeakPolarHBondContact CB-OD1 3.34Å; T66-D80 WeakPolarHBondContact CG2-OD1 3.45Å; T66-D80 PolarHBondContact OG1-OD1 2.87Å |
| 81 | G | 91.9 | Very high | 96 | Very high | 17 Ų | 17 | 73.7 Ų | 73.7 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 156.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | I65 | I65-G81 PolarHBondContact N-O 2.93Å; I65-G81 PolarHBondContact O-N 2.94Å |
| 82 | K | 93.4 | Very high | 95.9 | Very high | 135 Ų | 135 | 71.5 Ų | 71.5 | 59% | 0.587 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 122.9 | 173.5 | -178.6 | 179.2 | -177.4 | 177.5 | 0 | 108.4 | S62 E84 | S62-K82 WeakPolarHBondContact O-CE 3.3Å; K82-E84 PolarHBondContact O-N 3.48Å |
| 83 | G | 88.7 | Confident | 95.7 | Very high | 20 Ų | 20 | 68.5 Ų | 68.5 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | S | Bend | trans | 74.1 | -39 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K61 | K61-G83 VanDerWaalsContact O-CA 3.24Å; K61-G83 WeakPolarHBondContact O-CA 3.48Å; K61-G83 PolarHBondContact O-N 2.74Å; K61-G83 VanDerWaalsContact O-N 3.07Å |
| 84 | E | 93.7 | Very high | 95.5 | Very high | 131 Ų | 131 | 63.2 Ų | 63.2 | 61% | 0.612 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -95.5 | 151.5 | 178.5 | -63.6 | -51.4 | 130.4 | 0 | 0 | 112.8 | K82 | K82-E84 PolarHBondContact O-N 3.48Š|
| 85 | P | 95.5 | Very high | 95.1 | Very high | 50 Ų | 50 | 61.8 Ų | 61.8 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 140.1 | 174.1 | -17.4 | 30.7 | 0 | 0 | 0 | 112.1 | F55 C56 | F55-P85 HydrophobicContact CB-CB 4.28Å; C56-P85 CarbonylContact O-C 3.59Å; C56-P85 WeakPolarHBondContact O-CA 3.47Å |
| 86 | A | 97.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 62.2 Ų | 62.2 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 136.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110 | F55 C56 Y67 Q79 F88 | F55-A86 WeakPolarHBondContact CA-O 2.92Å; C56-A86 PolarHBondContact N-O 2.82Å; C56-A86 PolarHBondContact O-N 2.72Å; Y67-A86 HydrophobicContact CD2-CB 3.52Å; Y67-A86 HydrophobicContact CE2-CB 4.26Å; Y67-A86 HydrophobicContact CG-CB 3.77Å; Q79-A86 HydrophobicContact CB-CB 4.06Å; A86-F88 HydrophobicContact CB-CE2 3.81Å; A86-F88 HydrophobicContact CB-CZ 4.24Å |
| 87 | I | 98.2 | Very high | 94.7 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 112 | -173.2 | -53.7 | 178.2 | 0 | 0 | 0 | 109.7 | M54 F55 Q79 | M54-I87 WeakPolarHBondContact O-CA 3.41Å; F55-I87 HydrophobicContact CD1-CD1 4.26Å; F55-I87 HydrophobicContact CD1-CG1 3.86Å; F55-I87 HydrophobicContact CD1-CG2 4.42Å; F55-I87 HydrophobicContact CE1-CD1 3.96Å; F55-I87 HydrophobicContact CE1-CG1 3.98Å; F55-I87 HydrophobicContact CE1-CG2 4.08Å; Q79-I87 PolarHBondContact NE2-O 3.44Å; Q79-I87 PolarHBondContact OE1-O 2.9Å |
| 88 | F | 98.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 61 Ų | 61 | 6% | 0.057 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116.1 | 176.1 | -58.6 | -90.1 | 0 | 0 | 0 | 109.6 | S53 M54 C56 L69 G77 Q79 A86 | S53-F88 WeakPolarHBondContact CA-O 3.24Å; M54-F88 HydrophobicContact CB-CB 4.3Å; M54-F88 PolarHBondContact N-O 2.76Å; M54-F88 PolarHBondContact O-N 3.35Å; C56-F88 HydrophobicContact CB-CE2 4.27Å; L69-F88 HydrophobicContact CB-CD1 3.82Å; L69-F88 HydrophobicContact CB-CD2 3.94Å; L69-F88 HydrophobicContact CB-CE1 3.94Å; L69-F88 HydrophobicContact CB-CE2 4.05Å; L69-F88 HydrophobicContact CB-CG 3.83Å; L69-F88 HydrophobicContact CB-CZ 4.05Å; L69-F88 HydrophobicContact CD2-CB 3.55Å; L69-F88 HydrophobicContact CD2-CD1 4.31Å; L69-F88 HydrophobicContact CD2-CD2 4.22Å; L69-F88 HydrophobicContact CD2-CG 3.78Å; L69-F88 HydrophobicContact CG-CG 4.37Å; G77-F88 WeakPolarHBondContact O-CE1 3.33Å; Q79-F88 HydrophobicContact CB-CE1 4.44Å; Q79-F88 HydrophobicContact CB-CZ 4.23Å; Q79-F88 HydrophobicContact CG-CE1 3.96Å; Q79-F88 HydrophobicContact CG-CZ 4.22Å; A86-F88 HydrophobicContact CB-CE2 3.81Å; A86-F88 HydrophobicContact CB-CZ 4.24Å |
| 89 | N | 97.8 | Very high | 94.4 | Very high | 119 Ų | 119 | 57.8 Ų | 57.8 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 129.4 | 175.6 | -64.5 | -40.6 | 0 | 0 | 0 | 109.8 | V52 S53 | V52-N89 WeakPolarHBondContact O-CA 3.35Å; S53-N89 WeakPolarHBondContact CB-OD1 3.1Å; S53-N89 PolarHBondContact OG-OD1 2.99Å |
| 90 | L | 95.9 | Very high | 94.4 | Very high | 32 Ų | 32 | 56 Ų | 56 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 155.3 | -178.6 | -54.5 | 175 | 0 | 0 | 0 | 109.5 | N51 V52 M54 L69 L76 Y101 | N51-L90 CarbonylContact C-O 3.51Å; N51-L90 WeakPolarHBondContact CA-O 3.27Å; V52-L90 HydrophobicContact CG2-CB 3.97Å; V52-L90 PolarHBondContact N-O 3.28Å; V52-L90 PolarHBondContact O-N 3.11Å; M54-L90 HydrophobicContact CG-CD1 3.68Å; M54-L90 HydrophobicContact CG-CG 4.42Å; L69-L90 HydrophobicContact CD2-CD1 4.07Å; L69-L90 HydrophobicContact CD2-CD2 4.25Å; L69-L90 HydrophobicContact CD2-CG 4.48Å; L76-L90 HydrophobicContact CD1-CD2 4.01Å; L90-Y101 HydrophobicContact CD1-CD1 4.18Å; L90-Y101 HydrophobicContact CD1-CE1 3.46Å; L90-Y101 VanDerWaalsContact CD1-CE1 3.46Å |
| 91 | S | 95.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.3 | 163.9 | -164.2 | 0 | 0 | 0 | 0 | 108.1 | N51 T93 | N51-S91 VanDerWaalsContact OD1-CB 3.24Å; N51-S91 WeakPolarHBondContact OD1-CB 3.19Å; N51-S91 PolarHBondContact OD1-OG 2.84Å; S91-T93 PolarHBondContact O-N 2.84Å |
| 92 | I | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 92.1 | 178.3 | -52.8 | -59.5 | 0 | 0 | 0 | 107.5 | V46 K48 G49 Q50 V52 E97 Y101 F119 I121 | V46-I92 HydrophobicContact CG2-CB 4.36Å; V46-I92 HydrophobicContact CG2-CG1 4.41Å; V46-I92 HydrophobicContact CG2-CG2 4.15Å; K48-I92 CarbonylContact C-O 3.57Å; G49-I92 PolarHBondContact N-O 2.85Å; Q50-I92 PolarHBondContact O-N 3.12Å; V52-I92 HydrophobicContact CG2-CD1 4.25Å; V52-I92 HydrophobicContact CG2-CG1 3.93Å; I92-E97 HydrophobicContact CG2-CB 4.24Å; I92-Y101 VanDerWaalsContact CD1-OH 3.3Å; I92-Y101 WeakPolarHBondContact CD1-OH 3.5Å; I92-F119 HydrophobicContact CD1-CD2 4.1Å; I92-F119 HydrophobicContact CD1-CE2 4.09Å; I92-F119 HydrophobicContact CG1-CD2 4.32Å; I92-F119 HydrophobicContact CG1-CE2 4.41Å; I92-I121 HydrophobicContact CG2-CD1 4Å; I92-I121 HydrophobicContact CG2-CG1 4.45Å |
| 93 | T | 91.7 | Very high | 95.2 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 43% | 0.429 | 26% | 0.262 | S | S | . | . | trans | -87.4 | -36.9 | -175 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | S91 E97 | S91-T93 PolarHBondContact O-N 2.84Å; T93-E97 PolarHBondContact N-OE2 3.16Å; T93-E97 PolarHBondContact OG1-OE2 2.91Å | ||
| 94 | E | 91.1 | Very high | 95.6 | Very high | 93 Ų | 93 | 48 Ų | 48 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -125.9 | 159.2 | -172.8 | -72.3 | -63.8 | 167.7 | 0 | 0 | 113.8 | H96 E97 | E94-H96 VanDerWaalsContact C-N 3.26Å; E94-H96 WeakPolarHBondContact CB-CE1 3.14Å; E94-H96 WeakPolarHBondContact CB-ND1 3.39Å; E94-H96 PolarHBondContact O-N 2.77Å; E94-E97 HydrophobicContact CB-CG 4.09Å; E94-E97 PolarHBondContact N-OE2 3.48Å; E94-E97 VanDerWaalsContact O-CB 3.29Å; E94-E97 WeakPolarHBondContact O-CB 3.46Å; E94-E97 PolarHBondContact O-N 2.77Å |
| 95 | A | 89.3 | Confident | 95.8 | Very high | 54 Ų | 54 | 41.8 Ų | 41.8 | 45% | 0.446 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -58 | -38.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | E97 S98 I121 | A95-E97 PolarHBondContact O-N 2.87Å; A95-S98 VanDerWaalsContact O-CB 3.31Å; A95-S98 WeakPolarHBondContact O-CB 3.47Å; A95-S98 PolarHBondContact O-N 2.85Å; A95-S98 PolarHBondContact O-OG 2.8Å; A95-I121 VanDerWaalsContact CA-CD1 3.48Å; A95-I121 HydrophobicContact CB-CD1 4.44Å |
| 96 | H | 91.1 | Very high | 95.7 | Very high | 107 Ų | 107 | 42.4 Ų | 42.4 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -72.4 | -13.9 | -179.2 | 71.1 | -89.4 | 0 | 0 | 0 | 113.2 | R72 E94 S98 | R72-H96 PolarHBondContact NH1-O 2.85Å; R72-H96 PolarHBondContact NH2-O 2.87Å; E94-H96 VanDerWaalsContact C-N 3.26Å; E94-H96 WeakPolarHBondContact CB-CE1 3.14Å; E94-H96 WeakPolarHBondContact CB-ND1 3.39Å; E94-H96 PolarHBondContact O-N 2.77Å; H96-S98 VanDerWaalsContact C-N 3.29Å |
| 97 | E | 94.9 | Very high | 95.4 | Very high | 28 Ų | 28 | 42.7 Ų | 42.7 | 13% | 0.131 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -83.3 | -5.1 | 176.1 | -54.8 | -158.3 | 115.6 | 0 | 0 | 112.8 | R71 I92 T93 E94 A95 G99 Y101 | R71-E97 IonicContact CZ-OE1 3.01Å; R71-E97 VanDerWaalsContact NH1-CB 3.28Å; R71-E97 IonicContact NH1-OE1 3.63Å; R71-E97 PolarHBondContact NH1-OE1 3.03Å; R71-E97 IonicContact NH2-OE1 3.92Å; R71-E97 PolarHBondContact NH2-OE1 3.11Å; R71-E97 VanDerWaalsContact NH2-OE1 3.08Å; I92-E97 HydrophobicContact CG2-CB 4.24Å; T93-E97 PolarHBondContact N-OE2 3.16Å; T93-E97 PolarHBondContact OG1-OE2 2.91Å; E94-E97 HydrophobicContact CB-CG 4.09Å; E94-E97 PolarHBondContact N-OE2 3.48Å; E94-E97 VanDerWaalsContact O-CB 3.29Å; E94-E97 WeakPolarHBondContact O-CB 3.46Å; E94-E97 PolarHBondContact O-N 2.77Å; A95-E97 PolarHBondContact O-N 2.87Å; E97-G99 PolarHBondContact O-N 2.83Å; E97-G99 VanDerWaalsContact O-N 3.1Å; E97-Y101 WeakPolarHBondContact O-CE2 3.29Å; E97-Y101 VanDerWaalsContact O-CZ 3.3Å; E97-Y101 PolarHBondContact O-OH 2.9Å |
| 98 | S | 95.6 | Very high | 94.8 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -58 | -22.9 | 176.9 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | A95 H96 Y101 S118 F119 | A95-S98 VanDerWaalsContact O-CB 3.31Å; A95-S98 WeakPolarHBondContact O-CB 3.47Å; A95-S98 PolarHBondContact O-N 2.85Å; A95-S98 PolarHBondContact O-OG 2.8Å; H96-S98 VanDerWaalsContact C-N 3.29Å; S98-Y101 WeakPolarHBondContact O-CE2 3.4Å; S98-S118 CarbonylContact O-C 3.58Å; S98-S118 WeakPolarHBondContact O-CA 3.45Å; S98-F119 WeakPolarHBondContact CB-O 3.33Å; S98-F119 PolarHBondContact O-N 2.83Å |
| 99 | G | 96.1 | Very high | 94 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | trans | 141 | -163.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R72 E97 | R72-G99 PolarHBondContact NH1-O 2.91Å; R72-G99 VanDerWaalsContact NH1-O 3.12Å; R72-G99 PolarHBondContact NH2-O 2.95Å; E97-G99 PolarHBondContact O-N 2.83Å; E97-G99 VanDerWaalsContact O-N 3.1Å | ||
| 100 | P | 97.7 | Very high | 93.5 | Very high | 40 Ų | 40 | 40.3 Ų | 40.3 | 26% | 0.26 | 23% | 0.228 | S | C | . | . | cis | -73.9 | 149 | -1.9 | 30.6 | -36.9 | 0 | 0 | 0 | 113.1 | R71 R72 D116 F117 S118 | R71-P100 CarbonylContact C-O 3.6Å; R71-P100 WeakPolarHBondContact CA-O 3.19Å; R72-P100 HydrophobicContact CG-CG 4.11Å; R72-P100 PolarHBondContact N-O 2.85Å; P100-D116 HydrophobicContact CB-CB 4.12Å; P100-D116 WeakPolarHBondContact CB-OD1 3.35Å; P100-F117 CarbonylContact C-O 3.53Å; P100-F117 WeakPolarHBondContact CA-O 3.29Å; P100-S118 WeakPolarHBondContact CA-OG 3.31Å | ||
| 101 | Y | 98.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 143.5 | 173.8 | -66.1 | -90.6 | 0 | 0 | 0 | 110.8 | M54 L69 F70 R71 L76 L90 I92 E97 S98 D116 F117 F119 | M54-Y101 HydrophobicContact CE-CG 4.28Å; L69-Y101 HydrophobicContact CD1-CD1 4.49Å; L69-Y101 HydrophobicContact CD2-CD1 4.43Å; F70-Y101 CarbonylContact O-C 3.47Å; F70-Y101 WeakPolarHBondContact O-CA 3.29Å; R71-Y101 HydrophobicContact CB-CD1 3.92Å; R71-Y101 HydrophobicContact CB-CE1 3.77Å; R71-Y101 HydrophobicContact CG-CD1 4.35Å; R71-Y101 HydrophobicContact CG-CE1 4Å; L76-Y101 HydrophobicContact CD1-CD1 4.06Å; L76-Y101 HydrophobicContact CD1-CE1 3.61Å; L90-Y101 HydrophobicContact CD1-CD1 4.18Å; L90-Y101 HydrophobicContact CD1-CE1 3.46Å; L90-Y101 VanDerWaalsContact CD1-CE1 3.46Å; I92-Y101 VanDerWaalsContact CD1-OH 3.3Å; I92-Y101 WeakPolarHBondContact CD1-OH 3.5Å; E97-Y101 WeakPolarHBondContact O-CE2 3.29Å; E97-Y101 VanDerWaalsContact O-CZ 3.3Å; E97-Y101 PolarHBondContact O-OH 2.9Å; S98-Y101 WeakPolarHBondContact O-CE2 3.4Å; Y101-D116 CarbonylContact O-C 3.59Å; Y101-D116 WeakPolarHBondContact O-CA 3.5Å; Y101-F117 WeakPolarHBondContact CB-O 3.33Å; Y101-F117 PolarHBondContact N-O 2.83Å; Y101-F117 PolarHBondContact O-N 2.9Å; Y101-F119 HydrophobicContact CD2-CD2 4.39Å; Y101-F119 HydrophobicContact CD2-CE2 4.37Å; Y101-F119 AromaticContact CE2-CD2 3.9Å; Y101-F119 HydrophobicContact CE2-CD2 3.9Å; Y101-F119 AromaticContact CE2-CE2 3.97Å; Y101-F119 HydrophobicContact CE2-CE2 3.97Å |
| 102 | K | 98.3 | Very high | 93.4 | Very high | 74 Ų | 74 | 42.4 Ų | 42.4 | 32% | 0.322 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.5 | 168.2 | -65.8 | -169.6 | -176 | -170.9 | 0 | 110.2 | F70 Y113 D116 | F70-K102 PolarHBondContact N-O 2.8Å; F70-K102 PolarHBondContact O-N 2.84Å; K102-Y113 HydrophobicContact CB-CD1 4.34Å; K102-D116 WeakPolarHBondContact CE-OD1 3.45Å; K102-D116 WeakPolarHBondContact CE-OD2 3.18Å; K102-D116 VanDerWaalsContact CG-OD1 3.32Å; K102-D116 WeakPolarHBondContact CG-OD1 3.45Å; K102-D116 IonicContact NZ-OD1 3.4Å; K102-D116 IonicContact NZ-OD2 3.08Å; K102-D116 PolarHBondContact NZ-OD2 2.93Å |
| 103 | C | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 134.4 | 168 | 179.7 | 0 | 0 | 0 | 0 | 110 | L39 C56 S68 Y113 S114 | L39-C103 HydrophobicContact CB-CB 4.14Å; L39-C103 HydrophobicContact CD1-CB 4.09Å; L39-C103 HydrophobicContact CD2-CB 4.28Å; L39-C103 HydrophobicContact CG-CB 4.41Å; C56-C103 HydrophobicContact CB-CB 3.73Å; C56-C103 WeakPolarHBondContact CB-SG 3.44Å; C56-C103 WeakPolarHBondContact SG-CB 3.4Å; C56-C103 CovalentContact SG-SG 2.01Å; C56-C103 PolarHBondContact SG-SG 2.73Å; S68-C103 CarbonylContact O-C 3.57Å; S68-C103 WeakPolarHBondContact O-CA 3.27Å; C103-Y113 CarbonylContact O-C 3.5Å; C103-Y113 VanDerWaalsContact O-CA 3.29Å; C103-Y113 WeakPolarHBondContact O-CA 3.36Å; C103-S114 PolarHBondContact N-OG 2.91Å; C103-S114 PolarHBondContact O-N 2.87Å |
| 104 | K | 97.9 | Very high | 93.8 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.9 | 168 | -170.1 | -170.3 | -179.9 | -164.7 | 0 | 108.5 | Y67 S68 F70 S111 K112 Y113 | Y67-K104 CarbonylContact C-O 3.59Å; Y67-K104 VanDerWaalsContact CA-O 3.26Å; Y67-K104 WeakPolarHBondContact CA-O 3.28Å; S68-K104 PolarHBondContact N-O 2.85Å; S68-K104 PolarHBondContact O-N 3.02Å; F70-K104 HydrophobicContact CD2-CB 4.44Å; F70-K104 HydrophobicContact CE2-CB 3.88Å; F70-K104 HydrophobicContact CE2-CD 4.44Å; K104-S111 VanDerWaalsContact CE-OG 3.27Å; K104-S111 WeakPolarHBondContact CE-OG 3.45Å; K104-K112 WeakPolarHBondContact CA-O 3.3Å; K104-Y113 HydrophobicContact CB-CD1 3.78Å; K104-Y113 HydrophobicContact CB-CE1 3.56Å; K104-Y113 HydrophobicContact CD-CE1 4.08Å; K104-Y113 HydrophobicContact CD-CE2 4.44Å; K104-Y113 HydrophobicContact CG-CD1 4.18Å; K104-Y113 HydrophobicContact CG-CE1 3.82Å; K104-Y113 HydrophobicContact CG-CE2 4.29Å |
| 105 | A | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 134.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | F34 P37 I65 Y67 S111 K112 | F34-A105 HydrophobicContact CE1-CB 4.35Å; F34-A105 HydrophobicContact CZ-CB 3.87Å; P37-A105 HydrophobicContact CB-CB 3.85Å; P37-A105 HydrophobicContact CG-CB 3.7Å; I65-A105 HydrophobicContact CG2-CB 3.69Å; Y67-A105 HydrophobicContact CD1-CB 3.98Å; Y67-A105 HydrophobicContact CE1-CB 3.94Å; A105-S111 WeakPolarHBondContact O-CA 3.42Å; A105-S111 WeakPolarHBondContact O-CB 3.47Å; A105-K112 PolarHBondContact N-O 2.79Å; A105-K112 PolarHBondContact O-N 2.62Å |
| 106 | Q | 94.9 | Very high | 94.6 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 133 | 180 | -177.2 | 163.7 | -0.6 | 0 | 0 | 111.7 | T66 T108 C110 | T66-Q106 PolarHBondContact N-O 2.81Å; T66-Q106 PolarHBondContact O-N 2.77Å; Q106-T108 PolarHBondContact NE2-O 2.01Å; Q106-C110 CarbonylContact C-O 3.54Å; Q106-C110 WeakPolarHBondContact CA-O 3.19Å; Q106-C110 WeakPolarHBondContact CG-O 3.32Å |
| 107 | V | 91.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 48.3 Ų | 48.3 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 124.1 | 171 | 178.3 | 0 | 0 | 0 | 0 | 106.5 | L24 F34 L63 I65 S109 C110 | L24-V107 HydrophobicContact CD1-CG1 4.31Å; F34-V107 HydrophobicContact CD2-CG2 4.47Å; F34-V107 HydrophobicContact CE2-CB 4.27Å; F34-V107 HydrophobicContact CE2-CG2 3.57Å; F34-V107 HydrophobicContact CZ-CB 4.49Å; F34-V107 HydrophobicContact CZ-CG2 3.94Å; L63-V107 HydrophobicContact CB-CG2 4.26Å; L63-V107 HydrophobicContact CD1-CG2 4.34Å; I65-V107 HydrophobicContact CB-CG2 4.17Å; I65-V107 HydrophobicContact CD1-CG2 4.46Å; I65-V107 HydrophobicContact CG1-CG2 3.58Å; I65-V107 HydrophobicContact CG2-CG2 4.36Å; V107-S109 PolarHBondContact O-N 2.87Å; V107-S109 VanDerWaalsContact O-N 3.08Å; V107-C110 PolarHBondContact N-O 2.95Å; V107-C110 WeakPolarHBondContact O-CA 3.5Å; V107-C110 WeakPolarHBondContact O-CB 3.43Å; V107-C110 PolarHBondContact O-N 3.01Å |
| 108 | T | 84.6 | Confident | 95.1 | Very high | 78 Ų | 78 | 50 Ų | 50 | 48% | 0.479 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | -115.3 | -176.2 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | L24 Q106 | L24-T108 HydrophobicContact CB-CG2 4.14Å; L24-T108 WeakPolarHBondContact O-CB 3.43Å; L24-T108 PolarHBondContact O-OG1 2.86Å; Q106-T108 PolarHBondContact NE2-O 2.01Å |
| 109 | S | 81.8 | Confident | 95.2 | Very high | 68 Ų | 68 | 49 Ų | 49 | 48% | 0.476 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7.4 | 178.5 | 41.3 | 0 | 0 | 0 | 0 | 113.7 | C26 V107 | C26-S109 PolarHBondContact N-OG 2.86Å; C26-S109 VanDerWaalsContact SG-CB 3.53Å; C26-S109 PolarHBondContact SG-O 3.45Å; C26-S109 PolarHBondContact SG-OG 2.85Å; V107-S109 PolarHBondContact O-N 2.87Å; V107-S109 VanDerWaalsContact O-N 3.08Å |
| 110 | C | 87.4 | Confident | 95.1 | Very high | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.3 | -166.4 | -62 | 0 | 0 | 0 | 0 | 110.1 | C26 M29 F34 Q106 V107 | C26-C110 WeakPolarHBondContact CA-SG 3.49Å; C26-C110 HydrophobicContact CB-CB 4.36Å; C26-C110 WeakPolarHBondContact CB-SG 3.31Å; C26-C110 WeakPolarHBondContact SG-CA 3.3Å; C26-C110 WeakPolarHBondContact SG-CB 3.44Å; C26-C110 PolarHBondContact SG-N 3.07Å; C26-C110 CovalentContact SG-SG 2.04Å; C26-C110 PolarHBondContact SG-SG 3.45Å; M29-C110 HydrophobicContact SD-CB 4.46Å; F34-C110 HydrophobicContact CD1-CB 4.18Å; Q106-C110 CarbonylContact C-O 3.54Å; Q106-C110 WeakPolarHBondContact CA-O 3.19Å; Q106-C110 WeakPolarHBondContact CG-O 3.32Å; V107-C110 PolarHBondContact N-O 2.95Å; V107-C110 WeakPolarHBondContact O-CA 3.5Å; V107-C110 WeakPolarHBondContact O-CB 3.43Å; V107-C110 PolarHBondContact O-N 3.01Å |
| 111 | S | 92.8 | Very high | 95 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 146.4 | 173.8 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | K104 A105 | K104-S111 VanDerWaalsContact CE-OG 3.27Å; K104-S111 WeakPolarHBondContact CE-OG 3.45Å; A105-S111 WeakPolarHBondContact O-CA 3.42Å; A105-S111 WeakPolarHBondContact O-CB 3.47Å |
| 112 | K | 95.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 55 Ų | 55 | 34% | 0.339 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 146.8 | 175.4 | -68 | -68.8 | -177 | 178.9 | 0 | 109.9 | F34 P37 K104 A105 | F34-K112 HydrophobicContact CD1-CB 4.37Å; F34-K112 HydrophobicContact CD1-CG 3.84Å; F34-K112 HydrophobicContact CE1-CB 4.31Å; F34-K112 HydrophobicContact CE1-CG 4.25Å; P37-K112 WeakPolarHBondContact CD-O 3.19Å; K104-K112 WeakPolarHBondContact CA-O 3.3Å; A105-K112 PolarHBondContact N-O 2.79Å; A105-K112 PolarHBondContact O-N 2.62Å |
| 113 | Y | 97.4 | Very high | 94.4 | Very high | 110 Ų | 110 | 55.3 Ų | 55.3 | 43% | 0.431 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 148.3 | 172.2 | -69.5 | -88.1 | 0 | 0 | 0 | 110.7 | S36 F70 K102 C103 K104 | S36-Y113 VanDerWaalsContact CB-O 3.26Å; S36-Y113 WeakPolarHBondContact CB-O 3.49Å; S36-Y113 PolarHBondContact OG-O 2.84Å; F70-Y113 HydrophobicContact CD2-CE1 4.18Å; F70-Y113 HydrophobicContact CE2-CE1 4.15Å; K102-Y113 HydrophobicContact CB-CD1 4.34Å; C103-Y113 CarbonylContact O-C 3.5Å; C103-Y113 VanDerWaalsContact O-CA 3.29Å; C103-Y113 WeakPolarHBondContact O-CA 3.36Å; K104-Y113 HydrophobicContact CB-CD1 3.78Å; K104-Y113 HydrophobicContact CB-CE1 3.56Å; K104-Y113 HydrophobicContact CD-CE1 4.08Å; K104-Y113 HydrophobicContact CD-CE2 4.44Å; K104-Y113 HydrophobicContact CG-CD1 4.18Å; K104-Y113 HydrophobicContact CG-CE1 3.82Å; K104-Y113 HydrophobicContact CG-CE2 4.29Å |
| 114 | S | 98.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 59 Ų | 59 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 171.2 | 166.4 | 71.1 | 0 | 0 | 0 | 0 | 110.9 | P37 C103 | P37-S114 VanDerWaalsContact O-CA 3.3Å; P37-S114 WeakPolarHBondContact O-CA 3.4Å; P37-S114 WeakPolarHBondContact O-CB 3.44Å; C103-S114 PolarHBondContact N-OG 2.91Å; C103-S114 PolarHBondContact O-N 2.87Å |
| 115 | R | 98.1 | Very high | 93.9 | Very high | 227 Ų | 227 | 61 Ų | 61 | 86% | 0.857 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 161 | 160.3 | -64.9 | -176.7 | -178.8 | 177.9 | 0.1 | 110.2 | ||
| 116 | D | 97.9 | Very high | 93.8 | Very high | 90 Ų | 90 | 63.4 Ų | 63.4 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 138.3 | 171.8 | -77.8 | -59.6 | 0 | 0 | 0 | 111.1 | P100 Y101 K102 | P100-D116 HydrophobicContact CB-CB 4.12Å; P100-D116 WeakPolarHBondContact CB-OD1 3.35Å; Y101-D116 CarbonylContact O-C 3.59Å; Y101-D116 WeakPolarHBondContact O-CA 3.5Å; K102-D116 WeakPolarHBondContact CE-OD1 3.45Å; K102-D116 WeakPolarHBondContact CE-OD2 3.18Å; K102-D116 VanDerWaalsContact CG-OD1 3.32Å; K102-D116 WeakPolarHBondContact CG-OD1 3.45Å; K102-D116 IonicContact NZ-OD1 3.4Å; K102-D116 IonicContact NZ-OD2 3.08Å; K102-D116 PolarHBondContact NZ-OD2 2.93Å |
| 117 | F | 98.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 65.5 Ų | 65.5 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -122.1 | 130.5 | 169.6 | -177.9 | -76.6 | 0 | 0 | 0 | 109.1 | L39 K44 M54 P100 Y101 F119 | L39-F117 HydrophobicContact CD2-CB 4.05Å; L39-F117 HydrophobicContact CG-CB 4.3Å; K44-F117 HydrophobicContact CG-CE2 4.07Å; K44-F117 HydrophobicContact CG-CZ 3.96Å; M54-F117 HydrophobicContact CE-CB 4.15Å; M54-F117 HydrophobicContact CE-CD1 3.42Å; M54-F117 VanDerWaalsContact CE-CD1 3.42Å; M54-F117 HydrophobicContact CE-CD2 4.47Å; M54-F117 HydrophobicContact CE-CE1 3.91Å; M54-F117 HydrophobicContact CE-CG 3.76Å; M54-F117 HydrophobicContact SD-CD1 4.16Å; M54-F117 HydrophobicContact SD-CE1 4.05Å; P100-F117 CarbonylContact C-O 3.53Å; P100-F117 WeakPolarHBondContact CA-O 3.29Å; Y101-F117 WeakPolarHBondContact CB-O 3.33Å; Y101-F117 PolarHBondContact N-O 2.83Å; Y101-F117 PolarHBondContact O-N 2.9Å; F117-F119 HydrophobicContact CD1-CE2 4.4Å; F117-F119 AromaticContact CE1-CD1 3.76Å; F117-F119 HydrophobicContact CE1-CD1 3.76Å; F117-F119 HydrophobicContact CE1-CD2 4Å; F117-F119 AromaticContact CE1-CE1 3.64Å; F117-F119 HydrophobicContact CE1-CE1 3.64Å; F117-F119 AromaticContact CE1-CE2 3.86Å; F117-F119 HydrophobicContact CE1-CE2 3.86Å; F117-F119 AromaticContact CE1-CG 3.96Å; F117-F119 HydrophobicContact CE1-CG 3.96Å; F117-F119 AromaticContact CE1-CZ 3.68Å; F117-F119 HydrophobicContact CE1-CZ 3.68Å; F117-F119 HydrophobicContact CZ-CD1 4.25Å; F117-F119 HydrophobicContact CZ-CE1 4.02Å; F117-F119 HydrophobicContact CZ-CZ 4.37Å |
| 118 | S | 97.9 | Very high | 94 | Very high | 62 Ų | 62 | 68.6 Ų | 68.6 | 43% | 0.434 | 38% | 0.381 | S | S | . | . | trans | -130.7 | 141 | 172.5 | -62.6 | 0 | 0 | 0 | 0 | 109.5 | S98 P100 | S98-S118 CarbonylContact O-C 3.58Å; S98-S118 WeakPolarHBondContact O-CA 3.45Å; P100-S118 WeakPolarHBondContact CA-OG 3.31Å | ||
| 119 | F | 97.7 | Very high | 94.5 | Very high | 8 Ų | 8 | 68.7 Ų | 68.7 | 4% | 0.035 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 146.9 | 167 | -64.3 | -79 | 0 | 0 | 0 | 110.6 | T43 K44 V46 V52 M54 I92 S98 Y101 F117 | T43-F119 VanDerWaalsContact O-CE1 3.27Å; T43-F119 WeakPolarHBondContact O-CE1 3.5Å; K44-F119 CarbonylContact O-C 3.56Å; K44-F119 VanDerWaalsContact O-CA 3.3Å; K44-F119 WeakPolarHBondContact O-CA 3.41Å; V46-F119 HydrophobicContact CG1-CB 4.4Å; V46-F119 HydrophobicContact CG1-CD1 3.42Å; V46-F119 VanDerWaalsContact CG1-CD1 3.42Å; V46-F119 HydrophobicContact CG1-CE1 3.81Å; V46-F119 HydrophobicContact CG1-CG 4.05Å; V46-F119 HydrophobicContact CG2-CB 3.75Å; V46-F119 HydrophobicContact CG2-CD1 4.3Å; V46-F119 HydrophobicContact CG2-CG 4.12Å; V52-F119 HydrophobicContact CB-CE1 4.33Å; V52-F119 HydrophobicContact CB-CZ 3.98Å; V52-F119 HydrophobicContact CG1-CE1 4.14Å; V52-F119 HydrophobicContact CG1-CZ 4.22Å; V52-F119 HydrophobicContact CG2-CE1 4.33Å; V52-F119 HydrophobicContact CG2-CE2 3.98Å; V52-F119 HydrophobicContact CG2-CZ 3.58Å; M54-F119 HydrophobicContact SD-CE1 4.42Å; M54-F119 HydrophobicContact SD-CE2 3.68Å; M54-F119 HydrophobicContact SD-CZ 3.35Å; M54-F119 WeakPolarHBondContact SD-CZ 3.21Å; I92-F119 HydrophobicContact CD1-CD2 4.1Å; I92-F119 HydrophobicContact CD1-CE2 4.09Å; I92-F119 HydrophobicContact CG1-CD2 4.32Å; I92-F119 HydrophobicContact CG1-CE2 4.41Å; S98-F119 WeakPolarHBondContact CB-O 3.33Å; S98-F119 PolarHBondContact O-N 2.83Å; Y101-F119 HydrophobicContact CD2-CD2 4.39Å; Y101-F119 HydrophobicContact CD2-CE2 4.37Å; Y101-F119 AromaticContact CE2-CD2 3.9Å; Y101-F119 HydrophobicContact CE2-CD2 3.9Å; Y101-F119 AromaticContact CE2-CE2 3.97Å; Y101-F119 HydrophobicContact CE2-CE2 3.97Å; F117-F119 HydrophobicContact CD1-CE2 4.4Å; F117-F119 AromaticContact CE1-CD1 3.76Å; F117-F119 HydrophobicContact CE1-CD1 3.76Å; F117-F119 HydrophobicContact CE1-CD2 4Å; F117-F119 AromaticContact CE1-CE1 3.64Å; F117-F119 HydrophobicContact CE1-CE1 3.64Å; F117-F119 AromaticContact CE1-CE2 3.86Å; F117-F119 HydrophobicContact CE1-CE2 3.86Å; F117-F119 AromaticContact CE1-CG 3.96Å; F117-F119 HydrophobicContact CE1-CG 3.96Å; F117-F119 AromaticContact CE1-CZ 3.68Å; F117-F119 HydrophobicContact CE1-CZ 3.68Å; F117-F119 HydrophobicContact CZ-CD1 4.25Å; F117-F119 HydrophobicContact CZ-CE1 4.02Å; F117-F119 HydrophobicContact CZ-CZ 4.37Å |
| 120 | T | 95.8 | Very high | 95.1 | Very high | 86 Ų | 86 | 69 Ų | 69 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.4 | 162.1 | -58.2 | 0 | 0 | 0 | 0 | 107.8 | K44 V45 V46 V122 | K44-T120 PolarHBondContact O-N 3.05Å; V45-T120 WeakPolarHBondContact CA-O 3.36Å; V46-T120 PolarHBondContact N-O 2.9Å; T120-V122 HydrophobicContact CG2-CG1 4.42Å |
| 121 | I | 94 | Very high | 95.5 | Very high | 42 Ų | 42 | 73.3 Ų | 73.3 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.8 | 176 | -66.7 | 172.9 | 0 | 0 | 0 | 109 | V46 K48 I92 A95 | V46-I121 HydrophobicContact CG2-CG1 3.95Å; V46-I121 CarbonylContact O-C 3.56Å; V46-I121 VanDerWaalsContact O-CA 3.29Å; V46-I121 WeakPolarHBondContact O-CA 3.22Å; K48-I121 HydrophobicContact CG-CG2 4.17Å; I92-I121 HydrophobicContact CG2-CD1 4Å; I92-I121 HydrophobicContact CG2-CG1 4.45Å; A95-I121 VanDerWaalsContact CA-CD1 3.48Å; A95-I121 HydrophobicContact CB-CD1 4.44Å |
| 122 | V | 93.9 | Very high | 95.4 | Very high | 41 Ų | 41 | 76.4 Ų | 76.4 | 25% | 0.248 | 41% | 0.412 | C | S | . | . | trans | -122.5 | 148 | 175 | -65.7 | 0 | 0 | 0 | 0 | 110.5 | V45 V46 M47 T120 S153 | V45-V122 HydrophobicContact CG1-CB 4.14Å; V45-V122 HydrophobicContact CG1-CG1 3.56Å; V45-V122 HydrophobicContact CG1-CG2 3.44Å; V45-V122 VanDerWaalsContact CG1-CG2 3.44Å; V46-V122 PolarHBondContact O-N 2.84Å; M47-V122 HydrophobicContact CG-CG2 4.16Å; T120-V122 HydrophobicContact CG2-CG1 4.42Å; V122-S153 WeakPolarHBondContact CA-OG 3.31Å; V122-S153 VanDerWaalsContact CB-OG 3.27Å; V122-S153 WeakPolarHBondContact CB-OG 3.26Å | ||
| 123 | D | 91.3 | Very high | 95.2 | Very high | 80 Ų | 80 | 77.1 Ų | 77.1 | 43% | 0.428 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 137.2 | 173.2 | -63 | -45.2 | 0 | 0 | 0 | 109.2 | G152 S153 | D123-G152 CarbonylContact O-C 3.45Å; D123-G152 WeakPolarHBondContact O-CA 3.27Å; D123-S153 PolarHBondContact N-OG 3.09Å; D123-S153 PolarHBondContact O-N 3.37Å |
| 124 | P | 91.1 | Very high | 94.6 | Very high | 77 Ų | 77 | 74.8 Ų | 74.8 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 142.9 | 175.6 | 26.8 | -33.3 | 0 | 0 | 0 | 110.8 | M47 T126 G152 | M47-P124 HydrophobicContact SD-CB 3.91Å; M47-P124 HydrophobicContact SD-CG 4.42Å; P124-T126 PolarHBondContact O-N 3.45Å; P124-G152 VanDerWaalsContact O-CA 3.25Å; P124-G152 WeakPolarHBondContact O-CA 3.29Å; P124-G152 PolarHBondContact O-N 2.91Å |
| 125 | V | 93.9 | Very high | 93.9 | Very high | 81 Ų | 81 | 78.7 Ų | 78.7 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 121.1 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | S149 N151 I156 | V125-S149 WeakPolarHBondContact CG1-OG 2.99Å; V125-N151 WeakPolarHBondContact CA-O 3.32Å; V125-I156 HydrophobicContact CG1-CD1 4.07Å; V125-I156 HydrophobicContact CG1-CG1 4.41Å; V125-I156 HydrophobicContact CG1-CG2 3.99Å; V125-I156 HydrophobicContact CG2-CD1 4.2Å; V125-I156 HydrophobicContact CG2-CG1 3.96Å; V125-I156 HydrophobicContact CG2-CG2 4.5Å |
| 126 | T | 94.8 | Very high | 93.1 | Very high | 49 Ų | 49 | 75.2 Ų | 75.2 | 30% | 0.301 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 156.4 | 173.8 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | P124 S149 V150 N151 | P124-T126 PolarHBondContact O-N 3.45Å; T126-S149 WeakPolarHBondContact O-CB 2.94Å; T126-S149 PolarHBondContact O-OG 2.83Å; T126-V150 PolarHBondContact OG1-N 3.15Å; T126-N151 HydrophobicContact CG2-CB 3.69Å; T126-N151 PolarHBondContact N-O 2.83Å; T126-N151 VanDerWaalsContact N-O 3.11Å; T126-N151 PolarHBondContact OG1-N 3.35Å; T126-N151 PolarHBondContact OG1-O 3.35Å |
| 127 | S | 95.6 | Very high | 91.9 | Very high | 109 Ų | 109 | 74.1 Ų | 74.1 | 76% | 0.762 | 42% | 0.424 | S | S | * | . | trans | -46 | 123.9 | 172.1 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 128 | P | 95.9 | Very high | 90.8 | Very high | 74 Ų | 74 | 83.1 Ų | 83.1 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | trans | -70.5 | 142.6 | -178.4 | 27.8 | -33.5 | 0 | 0 | 0 | 110.6 | C147 L148 Y158 | P128-C147 VanDerWaalsContact CB-SG 3.52Å; P128-L148 WeakPolarHBondContact CA-O 2.67Å; P128-Y158 HydrophobicContact CB-CD1 4.49Å; P128-Y158 HydrophobicContact CB-CE1 4.22Å | ||
| 129 | V | 95.6 | Very high | 89.8 | Confident | 80 Ų | 80 | 85.9 Ų | 85.9 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.3 | 169.4 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | C147 L148 | V129-C147 WeakPolarHBondContact O-CA 2.95Å; V129-L148 PolarHBondContact N-O 2.95Å; V129-L148 PolarHBondContact O-N 3.36Å |
| 130 | L | 94.8 | Very high | 88.6 | Confident | 76 Ų | 76 | 89.9 Ų | 89.9 | 40% | 0.398 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 115.1 | 177.2 | -177.8 | 66.8 | 0 | 0 | 0 | 109.6 | L145 H146 C147 F160 | L130-L145 HydrophobicContact CD1-CB 3.96Å; L130-H146 WeakPolarHBondContact CA-O 3.37Å; L130-C147 HydrophobicContact CD1-CB 4.45Å; L130-F160 HydrophobicContact CD2-CE2 4.02Å |
| 131 | N | 94.1 | Very high | 87.9 | Confident | 101 Ų | 101 | 92.2 Ų | 92.2 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.1 | 172.4 | -70.5 | -12.6 | 0 | 0 | 0 | 109.7 | L145 H146 | N131-L145 WeakPolarHBondContact O-CA 3.43Å; N131-H146 HydrophobicContact CB-CB 4.25Å; N131-H146 PolarHBondContact N-O 3.25Å; N131-H146 PolarHBondContact O-N 2.74Å |
| 132 | I | 92.2 | Very high | 87.4 | Confident | 113 Ų | 113 | 94.2 Ų | 94.2 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.2 | -176.6 | -51.6 | -176.6 | 0 | 0 | 0 | 108.5 | V134 I143 L145 | I132-V134 HydrophobicContact CG2-CG2 3.95Å; I132-I143 HydrophobicContact CG2-CG2 4Å; I132-L145 HydrophobicContact CB-CD2 4.12Å; I132-L145 HydrophobicContact CD1-CD2 4.29Å; I132-L145 HydrophobicContact CG1-CD2 3.71Å; I132-L145 HydrophobicContact CG2-CD2 3.84Å |
| 133 | M | 89.8 | Confident | 87.1 | Confident | 92 Ų | 92 | 93.8 Ų | 93.8 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 126.4 | 169.9 | -169.5 | -176.8 | -58.5 | 0 | 0 | 108.8 | I135 I143 T144 | M133-I135 HydrophobicContact CG-CG1 4.5Å; M133-I135 HydrophobicContact SD-CD1 4.38Å; M133-I143 WeakPolarHBondContact O-CA 3.42Å; M133-T144 PolarHBondContact N-O 2.94Å; M133-T144 PolarHBondContact O-N 3.08Å |
| 134 | V | 86.6 | Confident | 87.1 | Confident | 61 Ų | 61 | 91 Ų | 91 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.4 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | I132 R141 I143 | I132-V134 HydrophobicContact CG2-CG2 3.95Å; V134-R141 HydrophobicContact CG1-CG 3.94Å; V134-I143 HydrophobicContact CG2-CG1 4.42Å |
| 135 | I | 83.3 | Confident | 87.2 | Confident | 90 Ų | 90 | 87.5 Ų | 87.5 | 46% | 0.462 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 118.5 | 171.8 | -57.5 | 173.4 | 0 | 0 | 0 | 106.9 | M133 H142 | M133-I135 HydrophobicContact CG-CG1 4.5Å; M133-I135 HydrophobicContact SD-CD1 4.38Å; I135-H142 HydrophobicContact CB-CB 4.41Å; I135-H142 PolarHBondContact N-O 2.04Å; I135-H142 PolarHBondContact O-N 2.88Å |
| 136 | Q | 80.8 | Confident | 87.3 | Confident | 154 Ų | 154 | 85.6 Ų | 85.6 | 72% | 0.72 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.7 | 178.9 | -171.3 | 165.1 | -2.2 | 0 | 0 | 109.4 | ||
| 137 | T | 73.7 | Confident | 87.3 | Confident | 67 Ų | 67 | 84 Ų | 84 | 41% | 0.411 | 45% | 0.445 | S | S | . | . | trans | -108.3 | 172.8 | 169.5 | 67.7 | 0 | 0 | 0 | 0 | 109.3 | T139 D140 | T137-T139 PolarHBondContact O-N 2.92Å; T137-T139 VanDerWaalsContact O-N 3.13Å; T137-D140 PolarHBondContact N-O 2.8Å; T137-D140 PolarHBondContact OG1-N 2.72Å; T137-D140 PolarHBondContact OG1-O 3Å | ||
| 138 | E | 73.9 | Confident | 87.4 | Confident | 203 Ų | 203 | 81.2 Ų | 81.2 | 95% | 0.949 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -53.1 | -30.6 | 177.7 | -68.5 | -93.9 | 143.8 | 0 | 0 | 112.9 | ||
| 139 | T | 76.6 | Confident | 87.4 | Confident | 120 Ų | 120 | 77.8 Ų | 77.8 | 74% | 0.736 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -118.2 | -22.1 | -174.8 | 55.5 | 0 | 0 | 0 | 0 | 114.8 | T137 | T137-T139 PolarHBondContact O-N 2.92Å; T137-T139 VanDerWaalsContact O-N 3.13Å |
| 140 | D | 73.9 | Confident | 87.3 | Confident | 91 Ų | 91 | 78.8 Ų | 78.8 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | trans | -134.9 | 150 | -169.6 | -65.5 | -55.7 | 0 | 0 | 0 | 113.5 | T137 | T137-D140 PolarHBondContact N-O 2.8Å; T137-D140 PolarHBondContact OG1-N 2.72Å; T137-D140 PolarHBondContact OG1-O 3Å | ||
| 141 | R | 79.8 | Confident | 87.2 | Confident | 136 Ų | 136 | 79.4 Ų | 79.4 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 108.1 | 171.1 | -173.8 | 176.1 | 177.7 | 155 | 0.6 | 109.7 | V134 I143 | V134-R141 HydrophobicContact CG1-CG 3.94Å; R141-I143 HydrophobicContact CG-CG1 4.16Å |
| 142 | H | 84.6 | Confident | 87.2 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 39% | 0.389 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.2 | 175.5 | -65.5 | 82 | 0 | 0 | 0 | 108.9 | I135 | I135-H142 HydrophobicContact CB-CB 4.41Å; I135-H142 PolarHBondContact N-O 2.04Å; I135-H142 PolarHBondContact O-N 2.88Å |
| 143 | I | 87.8 | Confident | 87.3 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 16% | 0.164 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.2 | 177.7 | -55.9 | 176.1 | 0 | 0 | 0 | 107.8 | I132 M133 V134 R141 L145 L183 | I132-I143 HydrophobicContact CG2-CG2 4Å; M133-I143 WeakPolarHBondContact O-CA 3.42Å; V134-I143 HydrophobicContact CG2-CG1 4.42Å; R141-I143 HydrophobicContact CG-CG1 4.16Å; I143-L145 HydrophobicContact CG2-CD2 4Å; I143-L145 HydrophobicContact CG2-CG 4.44Å; I143-L183 HydrophobicContact CB-CB 4.32Å; I143-L183 PolarHBondContact N-O 3.08Å; I143-L183 PolarHBondContact O-N 3.38Å |
| 144 | T | 91.4 | Very high | 87.5 | Confident | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.3 | 173.9 | -56.6 | 0 | 0 | 0 | 0 | 108.8 | M133 H146 F181 N182 | M133-T144 PolarHBondContact N-O 2.94Å; M133-T144 PolarHBondContact O-N 3.08Å; T144-H146 WeakPolarHBondContact CG2-NE2 3.24Å; T144-F181 WeakPolarHBondContact CA-O 3.48Å; T144-N182 VanDerWaalsContact CG2-OD1 3.3Å; T144-N182 WeakPolarHBondContact CG2-OD1 3.18Å; T144-N182 PolarHBondContact OG1-OD1 3.21Å |
| 145 | L | 93 | Very high | 87.9 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.6 | -179.5 | -57.3 | 178.9 | 0 | 0 | 0 | 109.4 | L130 N131 I132 I143 F160 E180 F181 L183 | L130-L145 HydrophobicContact CD1-CB 3.96Å; N131-L145 WeakPolarHBondContact O-CA 3.43Å; I132-L145 HydrophobicContact CB-CD2 4.12Å; I132-L145 HydrophobicContact CD1-CD2 4.29Å; I132-L145 HydrophobicContact CG1-CD2 3.71Å; I132-L145 HydrophobicContact CG2-CD2 3.84Å; I143-L145 HydrophobicContact CG2-CD2 4Å; I143-L145 HydrophobicContact CG2-CG 4.44Å; L145-F160 HydrophobicContact CD1-CD1 3.78Å; L145-F160 HydrophobicContact CD1-CD2 3.71Å; L145-F160 HydrophobicContact CD1-CE1 3.45Å; L145-F160 VanDerWaalsContact CD1-CE1 3.45Å; L145-F160 HydrophobicContact CD1-CE2 3.38Å; L145-F160 HydrophobicContact CD1-CG 3.93Å; L145-F160 HydrophobicContact CD1-CZ 3.26Å; L145-E180 CarbonylContact O-C 3.55Å; L145-E180 WeakPolarHBondContact O-CA 3.27Å; L145-F181 HydrophobicContact CB-CB 4.18Å; L145-F181 HydrophobicContact CB-CD2 4.49Å; L145-F181 PolarHBondContact N-O 3.16Å; L145-F181 PolarHBondContact O-N 2.95Å; L145-L183 HydrophobicContact CD1-CD1 3.46Å; L145-L183 VanDerWaalsContact CD1-CD1 3.46Å; L145-L183 HydrophobicContact CD1-CG 4.07Å; L145-L183 HydrophobicContact CG-CD1 4.12Å; L145-L183 HydrophobicContact CG-CG 4.49Å |
| 146 | H | 95.3 | Very high | 88.6 | Confident | 41 Ų | 41 | 66.1 Ų | 66.1 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.2 | 176.9 | -68.5 | -166.2 | 0 | 0 | 0 | 108.5 | L130 N131 T144 P178 A179 E180 | L130-H146 WeakPolarHBondContact CA-O 3.37Å; N131-H146 HydrophobicContact CB-CB 4.25Å; N131-H146 PolarHBondContact N-O 3.25Å; N131-H146 PolarHBondContact O-N 2.74Å; T144-H146 WeakPolarHBondContact CG2-NE2 3.24Å; H146-P178 HydrophobicContact CB-CB 3.88Å; H146-A179 WeakPolarHBondContact CA-O 3.38Å; H146-E180 IonicContact CE1-OE1 3.68Å; H146-E180 IonicContact NE2-OE1 3.7Å |
| 147 | C | 95.6 | Very high | 89.3 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 10% | 0.101 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123 | -177.9 | -161.1 | 0 | 0 | 0 | 0 | 109.7 | P128 V129 L130 Y158 P178 A179 F181 | P128-C147 VanDerWaalsContact CB-SG 3.52Å; V129-C147 WeakPolarHBondContact O-CA 2.95Å; L130-C147 HydrophobicContact CD1-CB 4.45Å; C147-Y158 HydrophobicContact CB-CD1 3.97Å; C147-Y158 HydrophobicContact CB-CG 4.49Å; C147-Y158 VanDerWaalsContact SG-CD1 3.56Å; C147-P178 CarbonylContact O-C 3.59Å; C147-P178 WeakPolarHBondContact O-CA 3.06Å; C147-A179 PolarHBondContact N-O 2.9Å; C147-A179 PolarHBondContact O-N 2.97Å; C147-F181 HydrophobicContact CB-CD2 4.49Å; C147-F181 HydrophobicContact CB-CE2 3.9Å |
| 148 | L | 96.5 | Very high | 90.4 | Very high | 51 Ų | 51 | 60.9 Ų | 60.9 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 128.7 | -178.1 | 178.8 | 65.3 | 0 | 0 | 0 | 111.7 | P128 V129 R176 P178 | P128-L148 WeakPolarHBondContact CA-O 2.67Å; V129-L148 PolarHBondContact N-O 2.95Å; V129-L148 PolarHBondContact O-N 3.36Å; L148-R176 WeakPolarHBondContact CD1-O 3.26Å; L148-P178 HydrophobicContact CB-CB 4.34Å; L148-P178 HydrophobicContact CB-CG 4.36Å; L148-P178 HydrophobicContact CD2-CG 4.47Å |
| 149 | S | 96.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | trans | -97.6 | 122.5 | 166.5 | -69.6 | 0 | 0 | 0 | 0 | 110.2 | V125 T126 N151 Y158 | V125-S149 WeakPolarHBondContact CG1-OG 2.99Å; T126-S149 WeakPolarHBondContact O-CB 2.94Å; T126-S149 PolarHBondContact O-OG 2.83Å; S149-N151 PolarHBondContact O-N 2.9Å; S149-Y158 PolarHBondContact N-OH 2.76Å | ||
| 150 | V | 92.9 | Very high | 92.2 | Very high | 100 Ų | 100 | 49.7 Ų | 49.7 | 61% | 0.606 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -61.7 | -42.5 | -179.4 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | T126 | T126-V150 PolarHBondContact OG1-N 3.15Š|
| 151 | N | 92.9 | Very high | 93.1 | Very high | 89 Ų | 89 | 51 Ų | 51 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -118.5 | 161.4 | 178.2 | -60.1 | -46.1 | 0 | 0 | 0 | 111.8 | V125 T126 S149 | V125-N151 WeakPolarHBondContact CA-O 3.32Å; T126-N151 HydrophobicContact CG2-CB 3.69Å; T126-N151 PolarHBondContact N-O 2.83Å; T126-N151 VanDerWaalsContact N-O 3.11Å; T126-N151 PolarHBondContact OG1-N 3.35Å; T126-N151 PolarHBondContact OG1-O 3.35Å; S149-N151 PolarHBondContact O-N 2.9Å |
| 152 | G | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 132.4 | 138 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | D123 P124 L154 R176 | D123-G152 CarbonylContact O-C 3.45Å; D123-G152 WeakPolarHBondContact O-CA 3.27Å; P124-G152 VanDerWaalsContact O-CA 3.25Å; P124-G152 WeakPolarHBondContact O-CA 3.29Å; P124-G152 PolarHBondContact O-N 2.91Å; G152-L154 PolarHBondContact O-N 2.75Å; G152-R176 PolarHBondContact O-NH1 2.94Å; G152-R176 PolarHBondContact O-NH2 3.17Å |
| 153 | S | 94.3 | Very high | 94 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 136.4 | 177.8 | -69 | 0 | 0 | 0 | 0 | 112 | V122 D123 | V122-S153 WeakPolarHBondContact CA-OG 3.31Å; V122-S153 VanDerWaalsContact CB-OG 3.27Å; V122-S153 WeakPolarHBondContact CB-OG 3.26Å; D123-S153 PolarHBondContact N-OG 3.09Å; D123-S153 PolarHBondContact O-N 3.37Å |
| 154 | L | 94.4 | Very high | 94.2 | Very high | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.366 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -82 | 151.1 | 179.7 | -65.7 | 164.2 | 0 | 0 | 0 | 110.7 | G152 I156 K173 Y174 D175 | G152-L154 PolarHBondContact O-N 2.75Å; L154-I156 HydrophobicContact CD2-CD1 4.22Å; L154-I156 HydrophobicContact CD2-CG1 4.13Å; L154-K173 WeakPolarHBondContact CD2-O 3.49Å; L154-Y174 WeakPolarHBondContact CD1-O 3.39Å; L154-D175 VanDerWaalsContact CD2-O 3.3Å; L154-D175 WeakPolarHBondContact CD2-O 3.2Å |
| 155 | P | 96.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 63.3 Ų | 63.3 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | cis | -76.2 | 149 | -2.2 | 31 | -34.5 | 0 | 0 | 0 | 113.4 | K173 Y174 | P155-K173 CarbonylContact C-O 3.5Å; P155-K173 WeakPolarHBondContact CA-O 3.45Å; P155-K173 WeakPolarHBondContact CB-O 3.45Å; P155-Y174 HydrophobicContact CB-CD1 3.66Å; P155-Y174 HydrophobicContact CB-CD2 4.28Å; P155-Y174 HydrophobicContact CB-CE1 3.6Å; P155-Y174 HydrophobicContact CB-CE2 4.22Å; P155-Y174 HydrophobicContact CB-CG 4Å; P155-Y174 HydrophobicContact CG-CD1 4.06Å; P155-Y174 HydrophobicContact CG-CE1 3.6Å |
| 156 | I | 96.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.036 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.3 | 171.6 | -62.5 | 170.2 | 0 | 0 | 0 | 108.8 | V125 L154 Y158 S172 K173 R176 | V125-I156 HydrophobicContact CG1-CD1 4.07Å; V125-I156 HydrophobicContact CG1-CG1 4.41Å; V125-I156 HydrophobicContact CG1-CG2 3.99Å; V125-I156 HydrophobicContact CG2-CD1 4.2Å; V125-I156 HydrophobicContact CG2-CG1 3.96Å; V125-I156 HydrophobicContact CG2-CG2 4.5Å; L154-I156 HydrophobicContact CD2-CD1 4.22Å; L154-I156 HydrophobicContact CD2-CG1 4.13Å; I156-Y158 HydrophobicContact CB-CE2 3.87Å; I156-Y158 HydrophobicContact CG2-CD1 4.44Å; I156-Y158 HydrophobicContact CG2-CD2 4.11Å; I156-Y158 HydrophobicContact CG2-CE1 3.97Å; I156-Y158 HydrophobicContact CG2-CE2 3.6Å; I156-S172 WeakPolarHBondContact O-CA 3.18Å; I156-K173 PolarHBondContact N-O 2.81Å; I156-K173 PolarHBondContact O-N 3Å; I156-R176 VanDerWaalsContact CD1-NH1 3.31Å |
| 157 | N | 96.8 | Very high | 94.3 | Very high | 102 Ų | 102 | 67.3 Ų | 67.3 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.9 | 175.5 | -65.7 | -21 | 0 | 0 | 0 | 109.7 | I171 S172 | N157-I171 WeakPolarHBondContact CA-O 3.4Å; N157-S172 VanDerWaalsContact OD1-CB 3.29Å; N157-S172 WeakPolarHBondContact OD1-CB 3.46Å; N157-S172 PolarHBondContact OD1-OG 3.14Å |
| 158 | Y | 96.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 67.5 Ų | 67.5 | 4% | 0.035 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.3 | 176.6 | -61 | -89.1 | 0 | 0 | 0 | 109.7 | P128 C147 S149 I156 A170 I171 K173 A179 F181 | P128-Y158 HydrophobicContact CB-CD1 4.49Å; P128-Y158 HydrophobicContact CB-CE1 4.22Å; C147-Y158 HydrophobicContact CB-CD1 3.97Å; C147-Y158 HydrophobicContact CB-CG 4.49Å; C147-Y158 VanDerWaalsContact SG-CD1 3.56Å; S149-Y158 PolarHBondContact N-OH 2.76Å; I156-Y158 HydrophobicContact CB-CE2 3.87Å; I156-Y158 HydrophobicContact CG2-CD1 4.44Å; I156-Y158 HydrophobicContact CG2-CD2 4.11Å; I156-Y158 HydrophobicContact CG2-CE1 3.97Å; I156-Y158 HydrophobicContact CG2-CE2 3.6Å; Y158-A170 CarbonylContact O-C 3.58Å; Y158-A170 VanDerWaalsContact O-CA 3.28Å; Y158-A170 WeakPolarHBondContact O-CA 3.32Å; Y158-I171 PolarHBondContact N-O 3.29Å; Y158-I171 PolarHBondContact O-N 3.42Å; Y158-K173 HydrophobicContact CD2-CB 4.38Å; Y158-K173 HydrophobicContact CD2-CG 3.86Å; Y158-K173 HydrophobicContact CE2-CB 3.9Å; Y158-K173 HydrophobicContact CE2-CG 3.7Å; Y158-A179 HydrophobicContact CD2-CB 3.53Å; Y158-A179 HydrophobicContact CE2-CB 4.27Å; Y158-A179 HydrophobicContact CG-CB 3.65Å; Y158-F181 WeakPolarHBondContact O-CZ 3.16Å |
| 159 | T | 95.4 | Very high | 93.9 | Very high | 51 Ų | 51 | 70.2 Ų | 70.2 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | trans | -132.6 | 133.2 | 174.9 | -55.9 | 0 | 0 | 0 | 0 | 108.3 | F161 A166 A170 | T159-F161 HydrophobicContact CG2-CD2 4.14Å; T159-F161 HydrophobicContact CG2-CE2 3.58Å; T159-F161 HydrophobicContact CG2-CZ 3.85Å; T159-F161 WeakPolarHBondContact O-CD2 3.3Å; T159-A166 HydrophobicContact CG2-CB 3.98Å; T159-A170 WeakPolarHBondContact OG1-CB 3.28Å | ||
| 160 | F | 93 | Very high | 93.8 | Very high | 38 Ų | 38 | 73 Ų | 73 | 17% | 0.167 | 41% | 0.41 | C | S | . | . | trans | -90.6 | 128.7 | 177.7 | -170.1 | -116.8 | 0 | 0 | 0 | 110.8 | L130 L145 I167 S168 F181 L183 | L130-F160 HydrophobicContact CD2-CE2 4.02Å; L145-F160 HydrophobicContact CD1-CD1 3.78Å; L145-F160 HydrophobicContact CD1-CD2 3.71Å; L145-F160 HydrophobicContact CD1-CE1 3.45Å; L145-F160 VanDerWaalsContact CD1-CE1 3.45Å; L145-F160 HydrophobicContact CD1-CE2 3.38Å; L145-F160 HydrophobicContact CD1-CG 3.93Å; L145-F160 HydrophobicContact CD1-CZ 3.26Å; F160-I167 HydrophobicContact CD1-CD1 3.39Å; F160-I167 HydrophobicContact CD1-CG1 3.53Å; F160-I167 HydrophobicContact CE1-CD1 3.42Å; F160-I167 VanDerWaalsContact CE1-CD1 3.42Å; F160-I167 HydrophobicContact CE1-CG1 4.06Å; F160-I167 HydrophobicContact CG-CG1 4.48Å; F160-I167 PolarHBondContact O-N 3.39Å; F160-S168 WeakPolarHBondContact CB-OG 3.44Å; F160-S168 PolarHBondContact N-OG 3.47Å; F160-F181 HydrophobicContact CB-CD1 4.02Å; F160-F181 HydrophobicContact CB-CD2 4.35Å; F160-F181 HydrophobicContact CB-CE1 4.2Å; F160-F181 HydrophobicContact CB-CG 4.1Å; F160-F181 HydrophobicContact CB-CZ 4.43Å; F160-L183 HydrophobicContact CD1-CD1 4.23Å; F160-L183 HydrophobicContact CD1-CD2 4.31Å; F160-L183 HydrophobicContact CE1-CD1 3.67Å; F160-L183 HydrophobicContact CE1-CD2 4.49Å; F160-L183 HydrophobicContact CZ-CD1 4.39Å | ||
| 161 | F | 92.2 | Very high | 94 | Very high | 117 Ų | 117 | 70.7 Ų | 70.7 | 51% | 0.513 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 135.4 | -180 | -67.6 | -98.4 | 0 | 0 | 0 | 110.5 | T159 V165 A166 | T159-F161 HydrophobicContact CG2-CD2 4.14Å; T159-F161 HydrophobicContact CG2-CE2 3.58Å; T159-F161 HydrophobicContact CG2-CZ 3.85Å; T159-F161 WeakPolarHBondContact O-CD2 3.3Å; F161-V165 CarbonylContact C-O 3.49Å; F161-V165 VanDerWaalsContact CA-O 3.23Å; F161-V165 WeakPolarHBondContact CA-O 3.43Å; F161-A166 HydrophobicContact CD1-CB 3.93Å; F161-A166 HydrophobicContact CE1-CB 3.65Å; F161-A166 HydrophobicContact CZ-CB 4.17Å |
| 162 | E | 90.1 | Very high | 94.2 | Very high | 110 Ų | 110 | 69 Ų | 69 | 51% | 0.514 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.3 | 168 | -177.2 | 177.5 | -120 | 0 | 0 | 107.9 | H164 V165 I167 | E162-H164 PolarHBondContact O-N 2.89Å; E162-V165 PolarHBondContact N-O 2.95Å; E162-V165 WeakPolarHBondContact O-CB 3.15Å; E162-V165 PolarHBondContact O-N 2.93Å; E162-I167 HydrophobicContact CB-CD1 3.82Å; E162-I167 HydrophobicContact CB-CG1 4.3Å; E162-I167 HydrophobicContact CB-CG2 4.21Å |
| 163 | N | 92.7 | Very high | 94.4 | Very high | 143 Ų | 143 | 71 Ų | 71 | 77% | 0.765 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 42.8 | -177.2 | -58.6 | -34.9 | 0 | 0 | 0 | 113.7 | V165 | N163-V165 PolarHBondContact O-N 2.81Š|
| 164 | H | 92.6 | Very high | 94.5 | Very high | 187 Ų | 187 | 77.2 Ų | 77.2 | 87% | 0.866 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 8.5 | -175.8 | -50.9 | -73.9 | 0 | 0 | 0 | 115.9 | E162 | E162-H164 PolarHBondContact O-N 2.89Š|
| 165 | V | 94.8 | Very high | 94.6 | Very high | 92 Ų | 92 | 77.4 Ų | 77.4 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.3 | 173.9 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | F161 E162 N163 I167 | F161-V165 CarbonylContact C-O 3.49Å; F161-V165 VanDerWaalsContact CA-O 3.23Å; F161-V165 WeakPolarHBondContact CA-O 3.43Å; E162-V165 PolarHBondContact N-O 2.95Å; E162-V165 WeakPolarHBondContact O-CB 3.15Å; E162-V165 PolarHBondContact O-N 2.93Å; N163-V165 PolarHBondContact O-N 2.81Å; V165-I167 HydrophobicContact CG1-CG2 4.42Å; V165-I167 PolarHBondContact O-N 3.09Å |
| 166 | A | 93.7 | Very high | 94.5 | Very high | 55 Ų | 55 | 79.2 Ų | 79.2 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 115.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109 | T159 F161 | T159-A166 HydrophobicContact CG2-CB 3.98Å; F161-A166 HydrophobicContact CD1-CB 3.93Å; F161-A166 HydrophobicContact CE1-CB 3.65Å; F161-A166 HydrophobicContact CZ-CB 4.17Å |
| 167 | I | 92.4 | Very high | 94.4 | Very high | 75 Ų | 75 | 84.3 Ų | 84.3 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | trans | -106.8 | 1.6 | -179.8 | 59.5 | 163.1 | 0 | 0 | 0 | 112.5 | F160 E162 V165 L183 | F160-I167 HydrophobicContact CD1-CD1 3.39Å; F160-I167 HydrophobicContact CD1-CG1 3.53Å; F160-I167 HydrophobicContact CE1-CD1 3.42Å; F160-I167 VanDerWaalsContact CE1-CD1 3.42Å; F160-I167 HydrophobicContact CE1-CG1 4.06Å; F160-I167 HydrophobicContact CG-CG1 4.48Å; F160-I167 PolarHBondContact O-N 3.39Å; E162-I167 HydrophobicContact CB-CD1 3.82Å; E162-I167 HydrophobicContact CB-CG1 4.3Å; E162-I167 HydrophobicContact CB-CG2 4.21Å; V165-I167 HydrophobicContact CG1-CG2 4.42Å; V165-I167 PolarHBondContact O-N 3.09Å; I167-L183 HydrophobicContact CD1-CD2 4.18Å | ||
| 168 | S | 91.3 | Very high | 94.3 | Very high | 19 Ų | 19 | 81.1 Ų | 81.1 | 13% | 0.133 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -131.5 | 154.4 | 172.9 | 79.4 | 0 | 0 | 0 | 0 | 111.2 | F160 F181 | F160-S168 WeakPolarHBondContact CB-OG 3.44Å; F160-S168 PolarHBondContact N-OG 3.47Å; S168-F181 WeakPolarHBondContact OG-CD1 3.22Å; S168-F181 WeakPolarHBondContact OG-CE1 3.48Å |
| 169 | P | 92.7 | Very high | 94.4 | Very high | 108 Ų | 108 | 80.7 Ų | 80.7 | 70% | 0.701 | 42% | 0.423 | S | S | * | . | trans | -63.5 | 161.5 | 160.3 | 29.9 | -34.3 | 0 | 0 | 0 | 110.4 | ||||
| 170 | A | 95.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 83.5 Ų | 83.5 | 50% | 0.496 | 43% | 0.433 | S | S | . | . | trans | -72.4 | 134.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y158 T159 | Y158-A170 CarbonylContact O-C 3.58Å; Y158-A170 VanDerWaalsContact O-CA 3.28Å; Y158-A170 WeakPolarHBondContact O-CA 3.32Å; T159-A170 WeakPolarHBondContact OG1-CB 3.28Å | ||
| 171 | I | 96.5 | Very high | 94.4 | Very high | 51 Ų | 51 | 82.2 Ų | 82.2 | 26% | 0.262 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119 | 172 | -60.5 | 177.6 | 0 | 0 | 0 | 108.1 | N157 Y158 K173 A179 E180 F181 | N157-I171 WeakPolarHBondContact CA-O 3.4Å; Y158-I171 PolarHBondContact N-O 3.29Å; Y158-I171 PolarHBondContact O-N 3.42Å; I171-K173 HydrophobicContact CG2-CD 4.19Å; I171-K173 HydrophobicContact CG2-CG 4.49Å; I171-A179 HydrophobicContact CB-CB 4.11Å; I171-A179 HydrophobicContact CD1-CB 4.49Å; I171-A179 HydrophobicContact CG2-CB 3.95Å; I171-E180 WeakPolarHBondContact CD1-O 3.26Å; I171-F181 HydrophobicContact CB-CZ 4.49Å; I171-F181 HydrophobicContact CD1-CD1 3.76Å; I171-F181 HydrophobicContact CD1-CE1 3.56Å; I171-F181 HydrophobicContact CD1-CG 4.35Å; I171-F181 HydrophobicContact CD1-CZ 4Å; I171-F181 HydrophobicContact CG1-CD1 4.47Å; I171-F181 HydrophobicContact CG1-CE1 3.85Å; I171-F181 HydrophobicContact CG1-CZ 4.29Å |
| 172 | S | 97.3 | Very high | 94.3 | Very high | 54 Ų | 54 | 82 Ų | 82 | 38% | 0.378 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.4 | 174 | -57.8 | 0 | 0 | 0 | 0 | 110.6 | I156 N157 | I156-S172 WeakPolarHBondContact O-CA 3.18Å; N157-S172 VanDerWaalsContact OD1-CB 3.29Å; N157-S172 WeakPolarHBondContact OD1-CB 3.46Å; N157-S172 PolarHBondContact OD1-OG 3.14Å |
| 173 | K | 97.5 | Very high | 94 | Very high | 41 Ų | 41 | 79.3 Ų | 79.3 | 18% | 0.178 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.1 | 173.2 | -64 | -62.9 | -55.3 | -177.1 | 0 | 109.8 | L154 P155 I156 Y158 I171 D175 E177 A179 | L154-K173 WeakPolarHBondContact CD2-O 3.49Å; P155-K173 CarbonylContact C-O 3.5Å; P155-K173 WeakPolarHBondContact CA-O 3.45Å; P155-K173 WeakPolarHBondContact CB-O 3.45Å; I156-K173 PolarHBondContact N-O 2.81Å; I156-K173 PolarHBondContact O-N 3Å; Y158-K173 HydrophobicContact CD2-CB 4.38Å; Y158-K173 HydrophobicContact CD2-CG 3.86Å; Y158-K173 HydrophobicContact CE2-CB 3.9Å; Y158-K173 HydrophobicContact CE2-CG 3.7Å; I171-K173 HydrophobicContact CG2-CD 4.19Å; I171-K173 HydrophobicContact CG2-CG 4.49Å; K173-D175 WeakPolarHBondContact CE-OD1 3.01Å; K173-D175 IonicContact NZ-OD1 2.77Å; K173-D175 PolarHBondContact NZ-OD1 3.12Å; K173-D175 IonicContact NZ-OD2 3.21Å; K173-E177 VanDerWaalsContact CE-O 3.28Å; K173-E177 WeakPolarHBondContact CE-O 3.5Å; K173-A179 HydrophobicContact CD-CB 4.41Å; K173-A179 HydrophobicContact CG-CB 4.06Å |
| 174 | Y | 96.9 | Very high | 92.9 | Very high | 171 Ų | 171 | 77.5 Ų | 77.5 | 67% | 0.671 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -99.3 | 0 | 178 | -68 | -95.4 | 0 | 0 | 0 | 112.6 | L154 P155 | L154-Y174 WeakPolarHBondContact CD1-O 3.39Å; P155-Y174 HydrophobicContact CB-CD1 3.66Å; P155-Y174 HydrophobicContact CB-CD2 4.28Å; P155-Y174 HydrophobicContact CB-CE1 3.6Å; P155-Y174 HydrophobicContact CB-CE2 4.22Å; P155-Y174 HydrophobicContact CB-CG 4Å; P155-Y174 HydrophobicContact CG-CD1 4.06Å; P155-Y174 HydrophobicContact CG-CE1 3.6Å |
| 175 | D | 95.1 | Very high | 91.3 | Very high | 74 Ų | 74 | 76.9 Ų | 76.9 | 40% | 0.396 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -127.9 | -179.4 | 176.4 | 53.4 | 22 | 0 | 0 | 0 | 109.2 | L154 K173 E177 | L154-D175 VanDerWaalsContact CD2-O 3.3Å; L154-D175 WeakPolarHBondContact CD2-O 3.2Å; K173-D175 WeakPolarHBondContact CE-OD1 3.01Å; K173-D175 IonicContact NZ-OD1 2.77Å; K173-D175 PolarHBondContact NZ-OD1 3.12Å; K173-D175 IonicContact NZ-OD2 3.21Å; D175-E177 PolarHBondContact O-N 2.93Å; D175-E177 WeakPolarHBondContact OD1-CB 2.96Å; D175-E177 PolarHBondContact OD1-N 3.36Å |
| 176 | R | 94.1 | Very high | 89.2 | Confident | 100 Ų | 100 | 85.5 Ų | 85.5 | 38% | 0.377 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -92.4 | 29.1 | 178.2 | -66.2 | -63.6 | -171.8 | -159.6 | -7.4 | 112.7 | L148 G152 I156 | L148-R176 WeakPolarHBondContact CD1-O 3.26Å; G152-R176 PolarHBondContact O-NH1 2.94Å; G152-R176 PolarHBondContact O-NH2 3.17Å; I156-R176 VanDerWaalsContact CD1-NH1 3.31Å |
| 177 | E | 95.2 | Very high | 88.9 | Confident | 114 Ų | 114 | 87 Ų | 87 | 53% | 0.533 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -89.2 | 151.2 | 174.6 | -64.3 | -58 | 144.7 | 0 | 0 | 110.9 | K173 D175 | K173-E177 VanDerWaalsContact CE-O 3.28Å; K173-E177 WeakPolarHBondContact CE-O 3.5Å; D175-E177 PolarHBondContact O-N 2.93Å; D175-E177 WeakPolarHBondContact OD1-CB 2.96Å; D175-E177 PolarHBondContact OD1-N 3.36Å |
| 178 | P | 96.1 | Very high | 88.8 | Confident | 34 Ų | 34 | 87.6 Ų | 87.6 | 22% | 0.221 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -60 | 146.6 | 174.4 | -20.2 | 31.7 | 0 | 0 | 0 | 112.1 | H146 C147 L148 | H146-P178 HydrophobicContact CB-CB 3.88Å; C147-P178 CarbonylContact O-C 3.59Å; C147-P178 WeakPolarHBondContact O-CA 3.06Å; L148-P178 HydrophobicContact CB-CB 4.34Å; L148-P178 HydrophobicContact CB-CG 4.36Å; L148-P178 HydrophobicContact CD2-CG 4.47Å |
| 179 | A | 96.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 91.4 Ų | 91.4 | 1% | 0.008 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 128.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | H146 C147 Y158 I171 K173 F181 | H146-A179 WeakPolarHBondContact CA-O 3.38Å; C147-A179 PolarHBondContact N-O 2.9Å; C147-A179 PolarHBondContact O-N 2.97Å; Y158-A179 HydrophobicContact CD2-CB 3.53Å; Y158-A179 HydrophobicContact CE2-CB 4.27Å; Y158-A179 HydrophobicContact CG-CB 3.65Å; I171-A179 HydrophobicContact CB-CB 4.11Å; I171-A179 HydrophobicContact CD1-CB 4.49Å; I171-A179 HydrophobicContact CG2-CB 3.95Å; K173-A179 HydrophobicContact CD-CB 4.41Å; K173-A179 HydrophobicContact CG-CB 4.06Å; A179-F181 HydrophobicContact CB-CE2 3.99Å; A179-F181 HydrophobicContact CB-CZ 4.26Å |
| 180 | E | 95.6 | Very high | 88.4 | Confident | 110 Ų | 110 | 90.5 Ų | 90.5 | 51% | 0.514 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 120.5 | -178.1 | -60.5 | -174.3 | 174.7 | 0 | 0 | 110.7 | L145 H146 I171 | L145-E180 CarbonylContact O-C 3.55Å; L145-E180 WeakPolarHBondContact O-CA 3.27Å; H146-E180 IonicContact CE1-OE1 3.68Å; H146-E180 IonicContact NE2-OE1 3.7Å; I171-E180 WeakPolarHBondContact CD1-O 3.26Å |
| 181 | F | 93.8 | Very high | 87.9 | Confident | 11 Ų | 11 | 92.4 Ų | 92.4 | 5% | 0.048 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120 | 172.4 | -53.4 | -90.1 | 0 | 0 | 0 | 109.4 | T144 L145 C147 Y158 F160 S168 I171 A179 | T144-F181 WeakPolarHBondContact CA-O 3.48Å; L145-F181 HydrophobicContact CB-CB 4.18Å; L145-F181 HydrophobicContact CB-CD2 4.49Å; L145-F181 PolarHBondContact N-O 3.16Å; L145-F181 PolarHBondContact O-N 2.95Å; C147-F181 HydrophobicContact CB-CD2 4.49Å; C147-F181 HydrophobicContact CB-CE2 3.9Å; Y158-F181 WeakPolarHBondContact O-CZ 3.16Å; F160-F181 HydrophobicContact CB-CD1 4.02Å; F160-F181 HydrophobicContact CB-CD2 4.35Å; F160-F181 HydrophobicContact CB-CE1 4.2Å; F160-F181 HydrophobicContact CB-CG 4.1Å; F160-F181 HydrophobicContact CB-CZ 4.43Å; S168-F181 WeakPolarHBondContact OG-CD1 3.22Å; S168-F181 WeakPolarHBondContact OG-CE1 3.48Å; I171-F181 HydrophobicContact CB-CZ 4.49Å; I171-F181 HydrophobicContact CD1-CD1 3.76Å; I171-F181 HydrophobicContact CD1-CE1 3.56Å; I171-F181 HydrophobicContact CD1-CG 4.35Å; I171-F181 HydrophobicContact CD1-CZ 4Å; I171-F181 HydrophobicContact CG1-CD1 4.47Å; I171-F181 HydrophobicContact CG1-CE1 3.85Å; I171-F181 HydrophobicContact CG1-CZ 4.29Å; A179-F181 HydrophobicContact CB-CE2 3.99Å; A179-F181 HydrophobicContact CB-CZ 4.26Å |
| 182 | N | 90.4 | Very high | 87.4 | Confident | 113 Ų | 113 | 95.1 Ų | 95.1 | 60% | 0.604 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 113.9 | 175.5 | -67 | -51.3 | 0 | 0 | 0 | 109.5 | T144 | T144-N182 VanDerWaalsContact CG2-OD1 3.3Å; T144-N182 WeakPolarHBondContact CG2-OD1 3.18Å; T144-N182 PolarHBondContact OG1-OD1 3.21Å |
| 183 | L | 82.4 | Confident | 86.7 | Confident | 52 Ų | 52 | 98.1 Ų | 98.1 | 27% | 0.272 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 111.3 | 175.2 | -60.8 | -178.9 | 0 | 0 | 0 | 109.2 | I143 L145 F160 I167 | I143-L183 HydrophobicContact CB-CB 4.32Å; I143-L183 PolarHBondContact N-O 3.08Å; I143-L183 PolarHBondContact O-N 3.38Å; L145-L183 HydrophobicContact CD1-CD1 3.46Å; L145-L183 VanDerWaalsContact CD1-CD1 3.46Å; L145-L183 HydrophobicContact CD1-CG 4.07Å; L145-L183 HydrophobicContact CG-CD1 4.12Å; L145-L183 HydrophobicContact CG-CG 4.49Å; F160-L183 HydrophobicContact CD1-CD1 4.23Å; F160-L183 HydrophobicContact CD1-CD2 4.31Å; F160-L183 HydrophobicContact CE1-CD1 3.67Å; F160-L183 HydrophobicContact CE1-CD2 4.49Å; F160-L183 HydrophobicContact CZ-CD1 4.39Å; I167-L183 HydrophobicContact CD1-CD2 4.18Å |
| 184 | T | 69.6 | Low | 85.8 | Confident | 106 Ų | 106 | 102.5 Ų | 102.5 | 65% | 0.65 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 109.8 | 169.8 | -35.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 185 | K | 58.9 | Low | 84.9 | Confident | 174 Ų | 174 | 96.8 Ų | 96.8 | 76% | 0.757 | 46% | 0.464 | S | S | * | . | trans | -88 | 111.8 | 169.6 | -128 | 179.7 | -177.7 | 176.8 | 0 | 107.5 | ||||
| 186 | K | 51 | Low | 84 | Confident | 272 Ų | 272 | 98.8 Ų | 98.8 | 100% | 1.183 | 47% | 0.47 | S | S | * | . | trans | -76.5 | 0 | 164.2 | -76.7 | -171.5 | 177.8 | -176.6 | 0 | 110.1 |
Retrieved 186 of 186 residues in 165.8 ms
(Link to these results)