| 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 | 39.8 | Very low | 47.8 | Very low | 246 Ų | 246 | 125.8 Ų | 125.8 | 100% | 1.212 | 74% | 0.744 | S | S | * | * | 0 | 136.7 | 0 | -98.4 | 176.2 | 161.9 | 0 | 0 | 109.1 | |||||
| 2 | R | 38.5 | Very low | 48.8 | Very low | 249 Ų | 249 | 119.8 Ų | 119.8 | 94% | 0.94 | 72% | 0.719 | S | S | * | * | trans | 84.4 | 90.8 | 176.6 | -61.4 | -170.4 | 178 | -171.3 | -0.2 | 117.2 | ||||
| 3 | C | 36.5 | Very low | 49.6 | Very low | 129 Ų | 129 | 114.8 Ų | 114.8 | 87% | 0.872 | 70% | 0.698 | S | S | * | * | trans | -48 | 134.2 | 153.6 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 4 | G | 39.1 | Very low | 50.5 | Low | 78 Ų | 78 | 111.9 Ų | 111.9 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -101.4 | 107.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | S6 | G4-S6 PolarHBondContact O-N 3.26Š| ||
| 5 | C | 45 | Very low | 50.8 | Low | 122 Ų | 122 | 113.4 Ų | 113.4 | 82% | 0.824 | 68% | 0.675 | S | S | * | * | trans | -65.4 | 123.8 | 167.7 | -88 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | S | 47.6 | Very low | 50.8 | Low | 70 Ų | 70 | 117.3 Ų | 117.3 | 49% | 0.49 | 67% | 0.674 | S | S | . | * | trans | -61.3 | 139.8 | 177.5 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | G4 L8 A9 | G4-S6 PolarHBondContact O-N 3.26Å; S6-L8 PolarHBondContact O-N 3.01Å; S6-A9 PolarHBondContact O-N 3.29Å | ||
| 7 | P | 52.9 | Low | 51 | Low | 104 Ų | 104 | 115.2 Ų | 115.2 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -8.4 | -176.7 | 24.8 | -33.9 | 0 | 0 | 0 | 114.6 | ||
| 8 | L | 54.9 | Low | 51 | Low | 135 Ų | 135 | 115.1 Ų | 115.1 | 71% | 0.707 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.2 | -28.2 | 175.1 | -81.2 | 158.5 | 0 | 0 | 0 | 113.7 | S6 V10 A12 | S6-L8 PolarHBondContact O-N 3.01Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-A12 PolarHBondContact O-N 3.31Å |
| 9 | A | 55.9 | Low | 51 | Low | 65 Ų | 65 | 113.6 Ų | 113.6 | 54% | 0.537 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -72.8 | -28.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S6 A13 | S6-A9 PolarHBondContact O-N 3.29Å; A9-A13 PolarHBondContact O-N 3.37Å |
| 10 | V | 57.4 | Low | 50.9 | Low | 99 Ų | 99 | 115.6 Ų | 115.6 | 60% | 0.6 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.5 | -37.7 | -179.9 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | L8 A13 V14 | L8-V10 VanDerWaalsContact C-N 3.34Å; V10-A13 PolarHBondContact O-N 3.33Å; V10-V14 WeakPolarHBondContact O-CG2 3.42Å; V10-V14 PolarHBondContact O-N 3.34Å; V10-V14 VanDerWaalsContact O-N 3.15Å |
| 11 | V | 58.7 | Low | 50.8 | Low | 87 Ų | 87 | 117.1 Ų | 117.1 | 53% | 0.527 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68.3 | -37.8 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | V14 F15 | V11-V14 PolarHBondContact O-N 2.99Å; V11-F15 HydrophobicContact CG1-CD2 4.27Å; V11-F15 PolarHBondContact O-N 3.04Å; V11-F15 VanDerWaalsContact O-N 3.11Å |
| 12 | A | 59.2 | Low | 51.1 | Low | 53 Ų | 53 | 112.6 Ų | 112.6 | 44% | 0.438 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.4 | -37.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L8 W16 | L8-A12 PolarHBondContact O-N 3.31Å; A12-W16 WeakPolarHBondContact O-CB 3.47Å; A12-W16 PolarHBondContact O-N 3.1Å |
| 13 | A | 59.8 | Low | 51.1 | Low | 55 Ų | 55 | 108.2 Ų | 108.2 | 46% | 0.455 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.5 | -33.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A9 V10 T17 | A9-A13 PolarHBondContact O-N 3.37Å; V10-A13 PolarHBondContact O-N 3.33Å; A13-T17 WeakPolarHBondContact O-CB 3.48Å; A13-T17 WeakPolarHBondContact O-CG2 3.42Å; A13-T17 PolarHBondContact O-N 2.98Å; A13-T17 PolarHBondContact O-OG1 3.15Å |
| 14 | V | 61.7 | Low | 51.2 | Low | 74 Ų | 74 | 105.2 Ų | 105.2 | 45% | 0.448 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.9 | -38.3 | 176.8 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | V10 V11 T17 Q18 | V10-V14 WeakPolarHBondContact O-CG2 3.42Å; V10-V14 PolarHBondContact O-N 3.34Å; V10-V14 VanDerWaalsContact O-N 3.15Å; V11-V14 PolarHBondContact O-N 2.99Å; V14-T17 WeakPolarHBondContact CA-OG1 3.42Å; V14-T17 PolarHBondContact O-OG1 3.27Å; V14-T17 VanDerWaalsContact O-OG1 3.08Å; V14-Q18 PolarHBondContact O-N 3.34Å |
| 15 | F | 55.8 | Low | 51 | Low | 135 Ų | 135 | 108 Ų | 108 | 59% | 0.592 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.2 | -37.4 | 173.9 | -99.3 | -87.7 | 0 | 0 | 0 | 112.4 | V11 Q18 C19 | V11-F15 HydrophobicContact CG1-CD2 4.27Å; V11-F15 PolarHBondContact O-N 3.04Å; V11-F15 VanDerWaalsContact O-N 3.11Å; F15-Q18 PolarHBondContact O-N 2.9Å; F15-C19 PolarHBondContact O-N 3.14Å; F15-C19 PolarHBondContact O-SG 3.37Å; F15-C19 VanDerWaalsContact O-SG 3.38Å |
| 16 | W | 50.8 | Low | 50.2 | Low | 176 Ų | 176 | 109.7 Ų | 109.7 | 67% | 0.667 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.5 | -36.7 | 176.8 | -144.2 | -59.9 | 0 | 0 | 0 | 112 | A12 F20 | A12-W16 WeakPolarHBondContact O-CB 3.47Å; A12-W16 PolarHBondContact O-N 3.1Å; W16-F20 AromaticContact CD1-CD2 3.42Å; W16-F20 VanDerWaalsContact CD1-CD2 3.42Å; W16-F20 AromaticContact CD1-CE2 3.28Å; W16-F20 AromaticContact NE1-CD2 3.81Å; W16-F20 AromaticContact NE1-CE2 3.13Å; W16-F20 AromaticContact NE1-CZ 3.98Å; W16-F20 VanDerWaalsContact O-CD2 3.27Å; W16-F20 WeakPolarHBondContact O-CD2 3.28Å; W16-F20 PolarHBondContact O-N 3.17Å; W16-F20 VanDerWaalsContact O-N 3.15Å |
| 17 | T | 53.9 | Low | 49.5 | Very low | 82 Ų | 82 | 111.1 Ų | 111.1 | 50% | 0.503 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -75.2 | -30.6 | 177.1 | 44.8 | 0 | 0 | 0 | 0 | 113.2 | A13 V14 L21 | A13-T17 WeakPolarHBondContact O-CB 3.48Å; A13-T17 WeakPolarHBondContact O-CG2 3.42Å; A13-T17 PolarHBondContact O-N 2.98Å; A13-T17 PolarHBondContact O-OG1 3.15Å; V14-T17 WeakPolarHBondContact CA-OG1 3.42Å; V14-T17 PolarHBondContact O-OG1 3.27Å; V14-T17 VanDerWaalsContact O-OG1 3.08Å; T17-L21 WeakPolarHBondContact O-CG 3.01Å; T17-L21 PolarHBondContact O-N 3.4Å |
| 18 | Q | 50.9 | Low | 48.3 | Very low | 113 Ų | 113 | 116.8 Ų | 116.8 | 53% | 0.528 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -72.3 | -32.8 | 170.8 | -77.7 | -173.8 | -15.8 | 0 | 0 | 113.2 | V14 F15 | V14-Q18 PolarHBondContact O-N 3.34Å; F15-Q18 PolarHBondContact O-N 2.9Å |
| 19 | C | 50.9 | Low | 47.1 | Very low | 86 Ų | 86 | 119.9 Ų | 119.9 | 58% | 0.581 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.7 | -30.6 | 174.3 | -71.3 | 0 | 0 | 0 | 0 | 113.3 | F15 | F15-C19 PolarHBondContact O-N 3.14Å; F15-C19 PolarHBondContact O-SG 3.37Å; F15-C19 VanDerWaalsContact O-SG 3.38Å |
| 20 | F | 49.4 | Very low | 45.8 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -79 | -19.6 | 175.7 | -89.9 | -100.7 | 0 | 0 | 0 | 114 | W16 | W16-F20 AromaticContact CD1-CD2 3.42Å; W16-F20 VanDerWaalsContact CD1-CD2 3.42Å; W16-F20 AromaticContact CD1-CE2 3.28Å; W16-F20 AromaticContact NE1-CD2 3.81Å; W16-F20 AromaticContact NE1-CE2 3.13Å; W16-F20 AromaticContact NE1-CZ 3.98Å; W16-F20 VanDerWaalsContact O-CD2 3.27Å; W16-F20 WeakPolarHBondContact O-CD2 3.28Å; W16-F20 PolarHBondContact O-N 3.17Å; W16-F20 VanDerWaalsContact O-N 3.15Å |
| 21 | L | 48.5 | Very low | 44.4 | Very low | 147 Ų | 147 | 131 Ų | 131 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -89.5 | -5.8 | 177.8 | -73.5 | 170.9 | 0 | 0 | 0 | 114 | T17 | T17-L21 WeakPolarHBondContact O-CG 3.01Å; T17-L21 PolarHBondContact O-N 3.4Å |
| 22 | L | 45.5 | Very low | 42.9 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -110.8 | -4 | -178.2 | -84.4 | 162.2 | 0 | 0 | 0 | 115.1 | ||
| 23 | D | 38.4 | Very low | 41.5 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -107.9 | 19.3 | 178.2 | -142.2 | 12 | 0 | 0 | 0 | 113.3 | ||
| 24 | G | 39.7 | Very low | 40.2 | Very low | 66 Ų | 66 | 146.8 Ų | 146.8 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | trans | -102.5 | 74.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 25 | V | 33.5 | Very low | 38.5 | Very low | 136 Ų | 136 | 153.7 Ų | 153.7 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -133.6 | 98 | 159.6 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | A27 | V25-A27 PolarHBondContact O-N 2.9Š| ||
| 26 | E | 29.7 | Very low | 37 | Very low | 158 Ų | 158 | 155.7 Ų | 155.7 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -50.2 | 121.9 | 161.9 | -76.4 | 175.1 | 106.9 | 0 | 0 | 111.1 | R28 | E26-R28 IonicContact OE1-NE 3.83Š| ||
| 27 | A | 31.3 | Very low | 35.9 | Very low | 101 Ų | 101 | 152 Ų | 152 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -108.9 | 80.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | V25 K29 | V25-A27 PolarHBondContact O-N 2.9Å; A27-K29 PolarHBondContact O-N 3.28Å | ||
| 28 | R | 28.9 | Very low | 34.7 | Very low | 222 Ų | 222 | 152.6 Ų | 152.6 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -59.1 | 121.9 | 158.9 | -80.8 | -176.5 | 175.4 | -166.9 | -3.3 | 108.9 | E26 | E26-R28 IonicContact OE1-NE 3.83Š| ||
| 29 | K | 29 | Very low | 33.8 | Very low | 201 Ų | 201 | 152.6 Ų | 152.6 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -140.8 | 86.8 | 154.1 | -153.2 | 171.2 | -175.9 | 176.7 | 0 | 111.3 | A27 | A27-K29 PolarHBondContact O-N 3.28Š| ||
| 30 | E | 29.1 | Very low | 32.6 | Very low | 148 Ų | 148 | 158.3 Ų | 158.3 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | 37 | 107 | 137.4 | -139.1 | 179.1 | 152.7 | 0 | 0 | 119.1 | K32 | E30-K32 WeakPolarHBondContact OE1-CE 3.43Š| ||
| 31 | R | 26.8 | Very low | 31.4 | Very low | 249 Ų | 249 | 158.6 Ų | 158.6 | 94% | 0.94 | 81% | 0.81 | S | S | * | * | trans | -58.8 | 129.7 | 151.2 | -84.9 | 175.1 | 167.5 | 175.1 | -4.1 | 109.9 | ||||
| 32 | K | 27.9 | Very low | 30.3 | Very low | 177 Ų | 177 | 156.3 Ų | 156.3 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -125.4 | 112.6 | 152.3 | -77.6 | -173.4 | -179.5 | 177.7 | 0 | 110.5 | E30 | E30-K32 WeakPolarHBondContact OE1-CE 3.43Š| ||
| 33 | R | 29.8 | Very low | 29.4 | Very low | 242 Ų | 242 | 156.8 Ų | 156.8 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -149.9 | 155.7 | 149.8 | -87.1 | -164.3 | -173.4 | -154.8 | 2.5 | 105.3 | ||||
| 34 | P | 32 | Very low | 29 | Very low | 108 Ų | 108 | 153.7 Ų | 153.7 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | -134.4 | 168.8 | 18.8 | 36.3 | -17.2 | 0 | 0 | 0 | 114.5 | ||||
| 35 | K | 25.9 | Very low | 28.4 | Very low | 218 Ų | 218 | 160.2 Ų | 160.2 | 95% | 0.948 | 80% | 0.802 | S | S | * | * | trans | -132.9 | 117.6 | 143.2 | -154.6 | 173.8 | -175.4 | 179.8 | 0 | 107 | ||||
| 36 | E | 25 | Very low | 28 | Very low | 178 Ų | 178 | 161.3 Ų | 161.3 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -109.9 | 172.8 | -174.5 | -177.9 | 167.2 | -170 | 0 | 0 | 109.6 | ||||
| 37 | A | 26.9 | Very low | 28.1 | Very low | 97 Ų | 97 | 159.1 Ų | 159.1 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 90.6 | 123.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 38 | A | 29.6 | Very low | 27.9 | Very low | 95 Ų | 95 | 160.4 Ų | 160.4 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | cis | -166.3 | 166.7 | 0.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 39 | P | 31.2 | Very low | 28.1 | Very low | 114 Ų | 114 | 158.2 Ų | 158.2 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | trans | -100.5 | 161.5 | -153.7 | 38.2 | -31.4 | 0 | 0 | 0 | 113.1 | ||||
| 40 | Q | 27.4 | Very low | 28 | Very low | 206 Ų | 206 | 153.3 Ų | 153.3 | 96% | 0.963 | 79% | 0.793 | S | S | * | * | trans | -125.9 | 115.9 | 155.9 | -73.8 | -173.8 | -10.3 | 0 | 0 | 109.2 | ||||
| 41 | H | 23.7 | Very low | 27.9 | Very low | 160 Ų | 160 | 153.6 Ų | 153.6 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -102.3 | 144.8 | 179.7 | 162.5 | -103.2 | 0 | 0 | 0 | 107.9 | ||||
| 42 | T | 24.2 | Very low | 28.1 | Very low | 99 Ų | 99 | 146 Ų | 146 | 61% | 0.607 | 78% | 0.784 | S | S | * | * | trans | 58.3 | 143.6 | 170.1 | 26 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 43 | E | 27.6 | Very low | 28.3 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | cis | -162.5 | 157.3 | 45.5 | -136.9 | 160.8 | -147.2 | 0 | 0 | 111.4 | ||||
| 44 | A | 29.4 | Very low | 28.6 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -71.1 | 134.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 45 | Y | 26.5 | Very low | 28.7 | Very low | 204 Ų | 204 | 145.2 Ų | 145.2 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -114.9 | 98.6 | 167.2 | -101.4 | -91.3 | 0 | 0 | 0 | 110.3 | ||||
| 46 | N | 27 | Very low | 28.8 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -94 | 109.2 | 154.8 | -84.5 | -22.9 | 0 | 0 | 0 | 107.6 | ||||
| 47 | V | 31.6 | Very low | 28.9 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | trans | -155.9 | 100.5 | 157 | 180 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 48 | T | 26.1 | Very low | 29 | Very low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | 76.5 | 113.4 | 98 | -46.1 | 0 | 0 | 0 | 0 | 114.4 | S50 | T48-S50 PolarHBondContact O-N 3.05Š| |||
| 49 | L | 33.8 | Very low | 29.1 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | trans | -49.7 | 125.2 | 158.5 | -74.2 | 159.2 | 0 | 0 | 0 | 110.5 | ||||
| 50 | S | 26.8 | Very low | 29.4 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -166.4 | 112.3 | 148.5 | -169.1 | 0 | 0 | 0 | 0 | 109.4 | T48 | T48-S50 PolarHBondContact O-N 3.05Š| ||
| 51 | N | 25.7 | Very low | 29.5 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -140.5 | 78.9 | 150.7 | -150.8 | 27.4 | 0 | 0 | 0 | 107.7 | ||||
| 52 | S | 31.9 | Very low | 30.1 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | trans | -77.2 | 112.7 | 160.5 | 19.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 53 | E | 32.9 | Very low | 30.8 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -104.9 | 88.3 | 149.5 | -82 | -177.7 | 123.9 | 0 | 0 | 106.6 | ||||
| 54 | E | 35.2 | Very low | 32 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -90 | 117.6 | 157.6 | -74.6 | -169.2 | 165.9 | 0 | 0 | 107.8 | ||||
| 55 | V | 33.4 | Very low | 33.2 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -102.3 | 96.9 | 154.5 | 172.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 56 | G | 28.1 | Very low | 34.8 | Very low | 75 Ų | 75 | 142.8 Ų | 142.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 24 | 119.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 57 | G | 27.5 | Very low | 36.6 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 174.7 | 75.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 58 | G | 30.3 | Very low | 38.8 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -71.2 | 139.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 59 | I | 31.9 | Very low | 41.1 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -138.6 | 119.3 | 144.7 | -76.4 | 163.5 | 0 | 0 | 0 | 106.3 | T61 | I59-T61 HydrophobicContact CG2-CG2 4.34Å; I59-T61 PolarHBondContact O-N 3.47Å | ||
| 60 | K | 37.2 | Very low | 43.1 | Very low | 207 Ų | 207 | 135.5 Ų | 135.5 | 90% | 0.9 | 77% | 0.769 | S | S | * | * | trans | -67.5 | 123.3 | 165.5 | -72.8 | 179.5 | 175.2 | 178.9 | 0 | 108.4 | ||||
| 61 | T | 29.3 | Very low | 45.4 | Very low | 132 Ų | 132 | 132 Ų | 132 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -142.8 | 136.7 | 150.8 | 41.9 | 0 | 0 | 0 | 0 | 110.3 | I59 | I59-T61 HydrophobicContact CG2-CG2 4.34Å; I59-T61 PolarHBondContact O-N 3.47Å | ||
| 62 | S | 36 | Very low | 48 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | -81.1 | 168.9 | -176.5 | 48.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 63 | D | 39.4 | Very low | 50 | Low | 137 Ų | 137 | 130.7 Ų | 130.7 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 68.5 | 119.6 | 157.8 | -71.6 | -43 | 0 | 0 | 0 | 119.8 | Q65 | D63-Q65 PolarHBondContact O-N 2.93Š|
| 64 | H | 51.6 | Low | 52.3 | Low | 179 Ų | 179 | 126.1 Ų | 126.1 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | trans | 25.6 | 80 | 148.8 | -72.2 | -76.1 | 0 | 0 | 0 | 116.5 | R66 | H64-R66 VanDerWaalsContact C-N 3.34Å; H64-R66 PolarHBondContact O-N 3.11Å | ||
| 65 | Q | 56 | Low | 54.3 | Low | 190 Ų | 190 | 122.5 Ų | 122.5 | 89% | 0.888 | 69% | 0.694 | S | S | * | * | trans | -70.8 | 94.3 | 169.4 | -161 | 146.1 | 9.3 | 0 | 0 | 109.3 | D63 V67 | D63-Q65 PolarHBondContact O-N 2.93Å; Q65-V67 PolarHBondContact O-N 2.85Å; Q65-V67 VanDerWaalsContact O-N 3.15Å | ||
| 66 | R | 60.1 | Low | 56.2 | Low | 236 Ų | 236 | 121.2 Ų | 121.2 | 89% | 0.891 | 68% | 0.676 | S | S | * | * | trans | -54.3 | 117.8 | 164.1 | -77.1 | -173.1 | 176.5 | 106.7 | -2.2 | 107.2 | H64 D68 | H64-R66 VanDerWaalsContact C-N 3.34Å; H64-R66 PolarHBondContact O-N 3.11Å; R66-D68 PolarHBondContact O-N 2.89Å | ||
| 67 | V | 64.1 | Low | 58.6 | Low | 110 Ų | 110 | 121.7 Ų | 121.7 | 67% | 0.667 | 66% | 0.664 | S | S | * | * | trans | -64.4 | 117.2 | 174.4 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | Q65 P69 | Q65-V67 PolarHBondContact O-N 2.85Å; Q65-V67 VanDerWaalsContact O-N 3.15Å; V67-P69 WeakPolarHBondContact O-CD 3.36Å | ||
| 68 | D | 76.8 | Confident | 60.9 | Low | 96 Ų | 96 | 125.2 Ų | 125.2 | 51% | 0.513 | 66% | 0.656 | S | S | . | * | trans | -69.5 | 112.1 | 173.2 | 175.6 | 16 | 0 | 0 | 0 | 109 | R66 L70 G71 S72 | R66-D68 PolarHBondContact O-N 2.89Å; D68-L70 PolarHBondContact O-N 2.72Å; D68-L70 PolarHBondContact OD1-N 3.46Å; D68-L70 VanDerWaalsContact OD1-N 3.08Å; D68-G71 VanDerWaalsContact CG-N 3.32Å; D68-G71 PolarHBondContact O-N 3.31Å; D68-G71 WeakPolarHBondContact OD2-CA 3.36Å; D68-G71 PolarHBondContact OD2-N 2.99Å; D68-S72 PolarHBondContact O-N 2.85Å | ||
| 69 | P | 75.4 | Confident | 62.8 | Low | 107 Ų | 107 | 129.8 Ų | 129.8 | 70% | 0.695 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.4 | -33.2 | -178.2 | -16.5 | 29.7 | 0 | 0 | 0 | 111.8 | V67 W73 | V67-P69 WeakPolarHBondContact O-CD 3.36Å; P69-W73 WeakPolarHBondContact O-CB 3.43Å; P69-W73 PolarHBondContact O-N 2.6Å; P69-W73 VanDerWaalsContact O-N 3.13Å |
| 70 | L | 75.8 | Confident | 64.5 | Low | 110 Ų | 110 | 127.9 Ų | 127.9 | 58% | 0.576 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.6 | -41.7 | -178 | -172 | 65.5 | 0 | 0 | 0 | 110.8 | D68 W73 M74 | D68-L70 PolarHBondContact O-N 2.72Å; D68-L70 PolarHBondContact OD1-N 3.46Å; D68-L70 VanDerWaalsContact OD1-N 3.08Å; L70-W73 PolarHBondContact O-N 3.48Å; L70-M74 HydrophobicContact CD1-CE 4.28Å; L70-M74 WeakPolarHBondContact O-CG 3.4Å; L70-M74 PolarHBondContact O-N 2.87Å |
| 71 | G | 75.5 | Confident | 65.6 | Low | 23 Ų | 23 | 125.7 Ų | 125.7 | 24% | 0.237 | 65% | 0.65 | C | S | . | * | H | α-helix | trans | -58.5 | -48.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D68 W73 M74 D75 | D68-G71 VanDerWaalsContact CG-N 3.32Å; D68-G71 PolarHBondContact O-N 3.31Å; D68-G71 WeakPolarHBondContact OD2-CA 3.36Å; D68-G71 PolarHBondContact OD2-N 2.99Å; G71-W73 VanDerWaalsContact C-N 3.29Å; G71-W73 PolarHBondContact O-N 3.42Å; G71-M74 PolarHBondContact O-N 3.27Å; G71-D75 PolarHBondContact O-N 3.27Å |
| 72 | S | 79.4 | Confident | 66.9 | Low | 64 Ų | 64 | 121.8 Ų | 121.8 | 45% | 0.448 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.1 | -35.5 | 176.9 | -78.2 | 0 | 0 | 0 | 0 | 113.1 | D68 F76 | D68-S72 PolarHBondContact O-N 2.85Å; S72-F76 PolarHBondContact O-N 3.27Å; S72-F76 VanDerWaalsContact O-N 3.11Å |
| 73 | W | 73.3 | Confident | 67.8 | Low | 152 Ų | 152 | 124.9 Ų | 124.9 | 58% | 0.576 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.3 | -43.8 | 175.5 | -177.2 | -107.6 | 0 | 0 | 0 | 112 | P69 L70 G71 D75 F76 V77 | P69-W73 WeakPolarHBondContact O-CB 3.43Å; P69-W73 PolarHBondContact O-N 2.6Å; P69-W73 VanDerWaalsContact O-N 3.13Å; L70-W73 PolarHBondContact O-N 3.48Å; G71-W73 VanDerWaalsContact C-N 3.29Å; G71-W73 PolarHBondContact O-N 3.42Å; W73-D75 VanDerWaalsContact C-N 3.28Å; W73-D75 PolarHBondContact O-N 3.5Å; W73-F76 HydrophobicContact CE3-CD1 4.33Å; W73-F76 HydrophobicContact CH2-CD1 4.38Å; W73-F76 HydrophobicContact CH2-CE1 4.49Å; W73-F76 HydrophobicContact CZ3-CD1 4.04Å; W73-F76 HydrophobicContact CZ3-CE1 4.39Å; W73-F76 WeakPolarHBondContact O-CB 3.33Å; W73-F76 PolarHBondContact O-N 3.47Å; W73-F76 VanDerWaalsContact O-N 3.15Å; W73-V77 HydrophobicContact CD2-CG2 4.38Å; W73-V77 HydrophobicContact CZ2-CG2 4.24Å; W73-V77 WeakPolarHBondContact O-CG2 3.35Å; W73-V77 PolarHBondContact O-N 3.04Å |
| 74 | M | 81.4 | Confident | 68.6 | Low | 84 Ų | 84 | 126.2 Ų | 126.2 | 41% | 0.414 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -63.3 | -36.4 | 176.9 | -71.4 | -66.4 | 164.8 | 0 | 0 | 111.8 | L70 G71 F76 V77 K78 | L70-M74 HydrophobicContact CD1-CE 4.28Å; L70-M74 WeakPolarHBondContact O-CG 3.4Å; L70-M74 PolarHBondContact O-N 2.87Å; G71-M74 PolarHBondContact O-N 3.27Å; M74-F76 VanDerWaalsContact C-N 3.34Å; M74-V77 PolarHBondContact O-N 3.42Å; M74-K78 VanDerWaalsContact O-CB 3.27Å; M74-K78 WeakPolarHBondContact O-CB 3.31Å; M74-K78 WeakPolarHBondContact O-CG 3.42Å; M74-K78 PolarHBondContact O-N 2.89Å |
| 75 | D | 77.9 | Confident | 68.7 | Low | 105 Ų | 105 | 123.6 Ų | 123.6 | 56% | 0.561 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.7 | -33.9 | 174.5 | -72.3 | -17.8 | 0 | 0 | 0 | 112.5 | G71 W73 R79 | G71-D75 PolarHBondContact O-N 3.27Å; W73-D75 VanDerWaalsContact C-N 3.28Å; W73-D75 PolarHBondContact O-N 3.5Å; D75-R79 WeakPolarHBondContact O-CG 3.33Å; D75-R79 PolarHBondContact O-N 2.91Å |
| 76 | F | 73.4 | Confident | 68.4 | Low | 123 Ų | 123 | 126.4 Ų | 126.4 | 54% | 0.539 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68 | -47.5 | 173 | 175.1 | -102 | 0 | 0 | 0 | 111.7 | S72 W73 M74 K78 R79 | S72-F76 PolarHBondContact O-N 3.27Å; S72-F76 VanDerWaalsContact O-N 3.11Å; W73-F76 HydrophobicContact CE3-CD1 4.33Å; W73-F76 HydrophobicContact CH2-CD1 4.38Å; W73-F76 HydrophobicContact CH2-CE1 4.49Å; W73-F76 HydrophobicContact CZ3-CD1 4.04Å; W73-F76 HydrophobicContact CZ3-CE1 4.39Å; W73-F76 WeakPolarHBondContact O-CB 3.33Å; W73-F76 PolarHBondContact O-N 3.47Å; W73-F76 VanDerWaalsContact O-N 3.15Å; M74-F76 VanDerWaalsContact C-N 3.34Å; F76-K78 VanDerWaalsContact C-N 3.3Å; F76-K78 PolarHBondContact O-N 3.31Å; F76-R79 WeakPolarHBondContact O-CB 3.31Å; F76-R79 PolarHBondContact O-N 2.97Å |
| 77 | V | 78.6 | Confident | 68 | Low | 86 Ų | 86 | 125.1 Ų | 125.1 | 52% | 0.521 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.7 | -35.7 | -179.3 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | W73 M74 R79 | W73-V77 HydrophobicContact CD2-CG2 4.38Å; W73-V77 HydrophobicContact CZ2-CG2 4.24Å; W73-V77 WeakPolarHBondContact O-CG2 3.35Å; W73-V77 PolarHBondContact O-N 3.04Å; M74-V77 PolarHBondContact O-N 3.42Å; V77-R79 VanDerWaalsContact C-N 3.31Å; V77-R79 PolarHBondContact O-N 3.4Å |
| 78 | K | 76.1 | Confident | 67.1 | Low | 156 Ų | 156 | 126.1 Ų | 126.1 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -2.1 | -180 | -69 | 175 | -177 | 178.3 | 0 | 114 | M74 F76 P80 | M74-K78 VanDerWaalsContact O-CB 3.27Å; M74-K78 WeakPolarHBondContact O-CB 3.31Å; M74-K78 WeakPolarHBondContact O-CG 3.42Å; M74-K78 PolarHBondContact O-N 2.89Å; F76-K78 VanDerWaalsContact C-N 3.3Å; F76-K78 PolarHBondContact O-N 3.31Å; K78-P80 WeakPolarHBondContact O-CD 3.22Å |
| 79 | R | 69.5 | Low | 65.7 | Low | 174 Ų | 174 | 133.3 Ų | 133.3 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -63 | 124.5 | 174.8 | -84.7 | 167.3 | -160 | -148.3 | 6 | 109.2 | D75 F76 V77 V81 | D75-R79 WeakPolarHBondContact O-CG 3.33Å; D75-R79 PolarHBondContact O-N 2.91Å; F76-R79 WeakPolarHBondContact O-CB 3.31Å; F76-R79 PolarHBondContact O-N 2.97Å; V77-R79 VanDerWaalsContact C-N 3.31Å; V77-R79 PolarHBondContact O-N 3.4Å; R79-V81 PolarHBondContact O-N 2.91Å; R79-V81 VanDerWaalsContact O-N 3.13Å |
| 80 | P | 67.4 | Low | 64.4 | Low | 114 Ų | 114 | 138.5 Ų | 138.5 | 74% | 0.74 | 70% | 0.695 | S | S | * | * | trans | -63.1 | 119.4 | 172.6 | 23.7 | -29.9 | 0 | 0 | 0 | 109.1 | K78 G82 | K78-P80 WeakPolarHBondContact O-CD 3.22Å; P80-G82 PolarHBondContact O-N 3.17Å | ||
| 81 | V | 60.3 | Low | 63.2 | Low | 161 Ų | 161 | 144.6 Ų | 144.6 | 98% | 0.976 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -73.8 | 68.7 | 170.1 | -84.7 | 0 | 0 | 0 | 0 | 109.2 | R79 | R79-V81 PolarHBondContact O-N 2.91Å; R79-V81 VanDerWaalsContact O-N 3.13Å |
| 82 | G | 57.3 | Low | 61.9 | Low | 50 Ų | 50 | 155 Ų | 155 | 52% | 0.515 | 74% | 0.743 | S | S | . | * | S | Bend | trans | -169.3 | 106.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P80 | P80-G82 PolarHBondContact O-N 3.17Š|
| 83 | N | 55.3 | Low | 60.6 | Low | 165 Ų | 165 | 158.1 Ų | 158.1 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | 74.4 | 78.1 | 166.5 | -59.2 | -33.2 | 0 | 0 | 0 | 117.6 | ||||
| 84 | L | 55.3 | Low | 59.6 | Low | 166 Ų | 166 | 155.2 Ų | 155.2 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -77.7 | 133.8 | 151 | -68.7 | 169.1 | 0 | 0 | 0 | 109.5 | R86 | L84-R86 PolarHBondContact O-N 2.99Š| ||
| 85 | P | 53.7 | Low | 58.3 | Low | 123 Ų | 123 | 159.4 Ų | 159.4 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -66.5 | 117.6 | 177 | 25.1 | -31.1 | 0 | 0 | 0 | 110.6 | K87 | P85-K87 PolarHBondContact O-N 3.36Š| ||
| 86 | R | 48.8 | Very low | 57.2 | Low | 249 Ų | 249 | 160.4 Ų | 160.4 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | trans | -65.1 | 95.8 | 174.4 | -78.2 | -176.4 | 167.6 | -175.3 | -2.4 | 110.5 | L84 | L84-R86 PolarHBondContact O-N 2.99Š| ||
| 87 | K | 51.8 | Low | 56.4 | Low | 210 Ų | 210 | 157.3 Ų | 157.3 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | trans | -110 | 82 | 161.5 | -120.7 | 171.5 | -176.2 | 173.4 | 0 | 109.2 | P85 | P85-K87 PolarHBondContact O-N 3.36Š| ||
| 88 | C | 45.8 | Very low | 55.7 | Low | 130 Ų | 130 | 159.2 Ų | 159.2 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | trans | -109.3 | 127.9 | 165.2 | -86.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 89 | R | 47.8 | Very low | 55 | Low | 247 Ų | 247 | 157.9 Ų | 157.9 | 93% | 0.932 | 83% | 0.829 | S | S | * | * | trans | -58.3 | 138.5 | -177.5 | -80.9 | 174 | 164.4 | 173.8 | -5.5 | 111.8 | R91 | R89-R91 PolarHBondContact O-N 2.96Š| ||
| 90 | K | 49.1 | Very low | 54.5 | Low | 216 Ų | 216 | 152.5 Ų | 152.5 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -44.7 | 109.7 | 175.3 | -61.9 | 176.7 | 178.3 | -178.6 | 0 | 112.2 | ||||
| 91 | R | 50.6 | Low | 54.5 | Low | 239 Ų | 239 | 153 Ų | 153 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 141.2 | 153.9 | -73.7 | -173.2 | 176.1 | -176.5 | -0.3 | 107.9 | R89 | R89-R91 PolarHBondContact O-N 2.96Š|
| 92 | R | 46.5 | Very low | 54.9 | Low | 242 Ų | 242 | 151.4 Ų | 151.4 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 141.4 | -173.4 | -65.2 | -178.2 | -179.1 | -172.6 | -0.3 | 110.9 | A94 | R92-A94 PolarHBondContact O-N 2.92Š|
| 93 | P | 52.2 | Low | 54.9 | Low | 128 Ų | 128 | 152 Ų | 152 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 129.6 | -178.7 | -14.3 | 28.6 | 0 | 0 | 0 | 111.2 | ||
| 94 | A | 53.7 | Low | 55.5 | Low | 92 Ų | 92 | 150 Ų | 150 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 144 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | R92 | R92-A94 PolarHBondContact O-N 2.92Š|
| 95 | L | 53.6 | Low | 56.3 | Low | 172 Ų | 172 | 148.2 Ų | 148.2 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 133.9 | -178.3 | -68.2 | 161.9 | 0 | 0 | 0 | 111 | G97 | L95-G97 PolarHBondContact O-N 3.46Š|
| 96 | P | 53.8 | Low | 56.5 | Low | 125 Ų | 125 | 145.3 Ų | 145.3 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -74.6 | 113.3 | 177.2 | -9 | 25.1 | 0 | 0 | 0 | 110.2 | ||||
| 97 | G | 58 | Low | 57.4 | Low | 59 Ų | 59 | 139.8 Ų | 139.8 | 61% | 0.608 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 152.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L95 | L95-G97 PolarHBondContact O-N 3.46Š|
| 98 | P | 62.4 | Low | 58.2 | Low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 138.9 | 178.6 | 23.1 | -31.2 | 0 | 0 | 0 | 110.6 | G100 | P98-G100 PolarHBondContact O-N 3.17Š|
| 99 | P | 62.4 | Low | 58.7 | Low | 129 Ų | 129 | 135.4 Ų | 135.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 128.9 | 173.8 | -20.6 | 31.2 | 0 | 0 | 0 | 110 | ||
| 100 | G | 58.9 | Low | 59.7 | Low | 61 Ų | 61 | 129.3 Ų | 129.3 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 151.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P98 | P98-G100 PolarHBondContact O-N 3.17Š|
| 101 | P | 67.8 | Low | 60.6 | Low | 123 Ų | 123 | 125.1 Ų | 125.1 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 143.6 | -179.9 | 23.9 | -32.8 | 0 | 0 | 0 | 110.7 | G103 | P101-G103 PolarHBondContact O-N 2.92Š|
| 102 | P | 68.5 | Low | 60.9 | Low | 129 Ų | 129 | 117 Ų | 117 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 126.3 | 173.1 | -21.8 | 31.8 | 0 | 0 | 0 | 109.8 | ||
| 103 | G | 58 | Low | 61.4 | Low | 62 Ų | 62 | 114.9 Ų | 114.9 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 148.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P101 | P101-G103 PolarHBondContact O-N 2.92Š|
| 104 | P | 67.6 | Low | 61.8 | Low | 123 Ų | 123 | 114.7 Ų | 114.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -58 | 143 | 178.1 | 24.1 | -32.6 | 0 | 0 | 0 | 110.3 | G106 | P104-G106 PolarHBondContact O-N 3.05Š|
| 105 | P | 72.3 | Confident | 61.8 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 126.5 | 172.7 | -22.3 | 32.3 | 0 | 0 | 0 | 109.7 | ||
| 106 | G | 56.7 | Low | 62.2 | Low | 62 Ų | 62 | 109.3 Ų | 109.3 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 149.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P104 Q108 | P104-G106 PolarHBondContact O-N 3.05Å; G106-Q108 PolarHBondContact O-N 3.29Å |
| 107 | P | 68.1 | Low | 62.3 | Low | 132 Ų | 132 | 112.2 Ų | 112.2 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 137.5 | 176.3 | 24.1 | -32.6 | 0 | 0 | 0 | 110 | G109 | P107-G109 PolarHBondContact O-N 2.87Š|
| 108 | Q | 69 | Low | 62.4 | Low | 195 Ų | 195 | 113.1 Ų | 113.1 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 121.9 | 177.9 | -158.9 | 169 | 36.5 | 0 | 0 | 108.5 | G106 | G106-Q108 PolarHBondContact O-N 3.29Š|
| 109 | G | 56.3 | Low | 63.1 | Low | 54 Ų | 54 | 110.3 Ų | 110.3 | 56% | 0.557 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 150.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P107 | P107-G109 PolarHBondContact O-N 2.87Š|
| 110 | P | 68.9 | Low | 63.7 | Low | 119 Ų | 119 | 111 Ų | 111 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 147.9 | 178.4 | 23.2 | -32.5 | 0 | 0 | 0 | 110.6 | G112 | P110-G112 PolarHBondContact O-N 3.41Å; P110-G112 VanDerWaalsContact O-N 3.15Å |
| 111 | P | 68 | Low | 64.7 | Low | 128 Ų | 128 | 114 Ų | 114 | 83% | 0.831 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 123.5 | 175.6 | -22.2 | 31.4 | 0 | 0 | 0 | 109.8 | F113 | P111-F113 PolarHBondContact O-N 3.17Š|
| 112 | G | 55.6 | Low | 65.3 | Low | 69 Ų | 69 | 111.4 Ų | 111.4 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 138.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | P110 | P110-G112 PolarHBondContact O-N 3.41Å; P110-G112 VanDerWaalsContact O-N 3.15Å |
| 113 | F | 57.7 | Low | 66 | Low | 197 Ų | 197 | 110.3 Ų | 110.3 | 86% | 0.864 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -52 | 140 | 173.3 | -68.3 | -81.4 | 0 | 0 | 0 | 109.6 | P111 G115 | P111-F113 PolarHBondContact O-N 3.17Å; F113-G115 PolarHBondContact O-N 2.96Å |
| 114 | P | 59.7 | Low | 67.4 | Low | 124 Ų | 124 | 111.3 Ų | 111.3 | 81% | 0.805 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 122 | 176.7 | 20.1 | -28.9 | 0 | 0 | 0 | 108 | A116 | P114-A116 PolarHBondContact O-N 2.89Š|
| 115 | G | 54.3 | Low | 68.4 | Low | 64 Ų | 64 | 110.1 Ų | 110.1 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 126.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | F113 E117 | F113-G115 PolarHBondContact O-N 2.96Å; G115-E117 PolarHBondContact O-N 2.92Å |
| 116 | A | 61.2 | Low | 69.1 | Low | 86 Ų | 86 | 109.9 Ų | 109.9 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | trans | -53.7 | 114.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107 | P114 V118 | P114-A116 PolarHBondContact O-N 2.89Å; A116-V118 HydrophobicContact CB-CG2 4.13Å; A116-V118 PolarHBondContact O-N 2.68Å | ||
| 117 | E | 56.3 | Low | 70.6 | Confident | 187 Ų | 187 | 112 Ų | 112 | 87% | 0.874 | 65% | 0.647 | S | S | * | * | trans | -69.9 | 80.5 | 173.8 | -70.6 | 177.1 | 171 | 0 | 0 | 106.7 | G115 T119 | G115-E117 PolarHBondContact O-N 2.92Å; E117-T119 VanDerWaalsContact C-N 3.35Å; E117-T119 PolarHBondContact O-N 2.81Å | ||
| 118 | V | 61.6 | Low | 71.6 | Confident | 78 Ų | 78 | 111.9 Ų | 111.9 | 47% | 0.473 | 63% | 0.633 | S | S | . | * | trans | -74.3 | 96.6 | 175 | -178.1 | 0 | 0 | 0 | 0 | 105.8 | A116 V122 L123 | A116-V118 HydrophobicContact CB-CG2 4.13Å; A116-V118 PolarHBondContact O-N 2.68Å; V118-V122 HydrophobicContact CG1-CB 4.41Å; V118-V122 HydrophobicContact CG1-CG1 4.44Å; V118-L123 HydrophobicContact CG1-CB 4.27Å; V118-L123 HydrophobicContact CG1-CD1 3.7Å | ||
| 119 | T | 77 | Confident | 72.7 | Confident | 66 Ų | 66 | 106.4 Ų | 106.4 | 41% | 0.405 | 61% | 0.61 | S | S | . | * | trans | -66.5 | 152.5 | 175.3 | 78.8 | 0 | 0 | 0 | 0 | 109.2 | E117 E121 V122 L123 | E117-T119 VanDerWaalsContact C-N 3.35Å; E117-T119 PolarHBondContact O-N 2.81Å; T119-E121 WeakPolarHBondContact CB-OE2 3.45Å; T119-E121 PolarHBondContact O-N 3.44Å; T119-E121 VanDerWaalsContact O-N 3.1Å; T119-E121 PolarHBondContact OG1-OE2 3.27Å; T119-V122 PolarHBondContact O-N 2.98Å; T119-L123 PolarHBondContact O-N 3.1Å | ||
| 120 | Q | 73.4 | Confident | 74.3 | Confident | 143 Ų | 143 | 109 Ų | 109 | 67% | 0.668 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -58.1 | -29.4 | -175.8 | -177 | 177.4 | -8.7 | 0 | 0 | 111.9 | L123 L124 | Q120-L123 PolarHBondContact O-N 3.02Å; Q120-L124 HydrophobicContact CG-CD1 4.11Å; Q120-L124 HydrophobicContact CG-CG 4.49Å; Q120-L124 WeakPolarHBondContact O-CB 3.49Å; Q120-L124 VanDerWaalsContact O-CG 3.28Å; Q120-L124 WeakPolarHBondContact O-CG 3.31Å; Q120-L124 PolarHBondContact O-N 2.67Å |
| 121 | E | 81.3 | Confident | 75.3 | Confident | 125 Ų | 125 | 107.3 Ų | 107.3 | 58% | 0.584 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.7 | -40.1 | 179.1 | -54 | 72.3 | -152.2 | 0 | 0 | 111.4 | T119 L124 Q125 | T119-E121 WeakPolarHBondContact CB-OE2 3.45Å; T119-E121 PolarHBondContact O-N 3.44Å; T119-E121 VanDerWaalsContact O-N 3.1Å; T119-E121 PolarHBondContact OG1-OE2 3.27Å; E121-L124 PolarHBondContact O-N 2.94Å; E121-Q125 VanDerWaalsContact O-CB 3.31Å; E121-Q125 WeakPolarHBondContact O-CB 3.37Å; E121-Q125 PolarHBondContact O-N 2.76Å |
| 122 | V | 79.9 | Confident | 76.5 | Confident | 68 Ų | 68 | 106.9 Ų | 106.9 | 41% | 0.412 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -44.3 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | V118 T119 L124 Q125 E126 | V118-V122 HydrophobicContact CG1-CB 4.41Å; V118-V122 HydrophobicContact CG1-CG1 4.44Å; T119-V122 PolarHBondContact O-N 2.98Å; V122-L124 PolarHBondContact O-N 3.47Å; V122-Q125 PolarHBondContact O-N 3.05Å; V122-E126 WeakPolarHBondContact O-CG 3.29Å; V122-E126 PolarHBondContact O-N 3.18Å |
| 123 | L | 82.3 | Confident | 78.1 | Confident | 106 Ų | 106 | 107.9 Ų | 107.9 | 56% | 0.555 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.8 | -41 | 179.3 | -151.8 | 104.9 | 0 | 0 | 0 | 112.3 | V118 T119 Q120 Q125 F127 | V118-L123 HydrophobicContact CG1-CB 4.27Å; V118-L123 HydrophobicContact CG1-CD1 3.7Å; T119-L123 PolarHBondContact O-N 3.1Å; Q120-L123 PolarHBondContact O-N 3.02Å; L123-Q125 VanDerWaalsContact C-N 3.29Å; L123-F127 WeakPolarHBondContact O-CB 3.07Å; L123-F127 PolarHBondContact O-N 3.48Å |
| 124 | L | 87.4 | Confident | 79.2 | Confident | 83 Ų | 83 | 100.1 Ų | 100.1 | 44% | 0.435 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.4 | -32.5 | 175.6 | -75.2 | 172 | 0 | 0 | 0 | 111.9 | Q120 E121 V122 K128 | Q120-L124 HydrophobicContact CG-CD1 4.11Å; Q120-L124 HydrophobicContact CG-CG 4.49Å; Q120-L124 WeakPolarHBondContact O-CB 3.49Å; Q120-L124 VanDerWaalsContact O-CG 3.28Å; Q120-L124 WeakPolarHBondContact O-CG 3.31Å; Q120-L124 PolarHBondContact O-N 2.67Å; E121-L124 PolarHBondContact O-N 2.94Å; V122-L124 PolarHBondContact O-N 3.47Å; L124-K128 WeakPolarHBondContact O-CB 3.46Å; L124-K128 VanDerWaalsContact O-CG 3.22Å; L124-K128 WeakPolarHBondContact O-CG 3.25Å; L124-K128 PolarHBondContact O-N 2.76Å |
| 125 | Q | 89 | Confident | 80.2 | Confident | 97 Ų | 97 | 97.7 Ų | 97.7 | 45% | 0.453 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.3 | -46.9 | 176.5 | -169.2 | 58.2 | 38.4 | 0 | 0 | 111 | E121 V122 L123 F127 K128 D129 | E121-Q125 VanDerWaalsContact O-CB 3.31Å; E121-Q125 WeakPolarHBondContact O-CB 3.37Å; E121-Q125 PolarHBondContact O-N 2.76Å; V122-Q125 PolarHBondContact O-N 3.05Å; L123-Q125 VanDerWaalsContact C-N 3.29Å; Q125-F127 VanDerWaalsContact C-N 3.28Å; Q125-F127 PolarHBondContact O-N 3.06Å; Q125-K128 PolarHBondContact O-N 3.43Å; Q125-K128 VanDerWaalsContact O-N 3.17Å; Q125-D129 PolarHBondContact NE2-OD1 3.08Å; Q125-D129 PolarHBondContact O-N 2.77Å |
| 126 | E | 88.1 | Confident | 81.7 | Confident | 124 Ų | 124 | 99.7 Ų | 99.7 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.2 | -39 | 173.9 | -70.7 | -171.1 | 164.2 | 0 | 0 | 111.9 | V122 D129 M130 | V122-E126 WeakPolarHBondContact O-CG 3.29Å; V122-E126 PolarHBondContact O-N 3.18Å; E126-D129 PolarHBondContact O-N 3.27Å; E126-M130 WeakPolarHBondContact O-CB 3.42Å; E126-M130 PolarHBondContact O-N 2.81Å |
| 127 | F | 87.6 | Confident | 82.5 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 175.6 | -179.9 | -104.1 | 0 | 0 | 0 | 112.5 | L123 Q125 D129 M130 I131 | L123-F127 WeakPolarHBondContact O-CB 3.07Å; L123-F127 PolarHBondContact O-N 3.48Å; Q125-F127 VanDerWaalsContact C-N 3.28Å; Q125-F127 PolarHBondContact O-N 3.06Å; F127-D129 VanDerWaalsContact C-N 3.34Å; F127-M130 HydrophobicContact CD2-CE 3.74Å; F127-M130 HydrophobicContact CE2-CE 4.45Å; F127-M130 PolarHBondContact O-N 2.76Å; F127-I131 HydrophobicContact CD1-CD1 4.18Å; F127-I131 HydrophobicContact CE1-CD1 3.41Å; F127-I131 VanDerWaalsContact CE1-CD1 3.41Å; F127-I131 HydrophobicContact CE1-CG1 4.21Å; F127-I131 HydrophobicContact CE2-CD1 4.2Å; F127-I131 HydrophobicContact CE2-CG1 4.41Å; F127-I131 HydrophobicContact CZ-CD1 3.43Å; F127-I131 VanDerWaalsContact CZ-CD1 3.43Å; F127-I131 HydrophobicContact CZ-CG1 4.11Å; F127-I131 PolarHBondContact O-N 2.91Å |
| 128 | K | 90.2 | Very high | 83.4 | Confident | 129 Ų | 129 | 102.4 Ų | 102.4 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 175.8 | -77.4 | 170.9 | -178.9 | 178.1 | 0 | 111.5 | L124 Q125 I131 K132 | L124-K128 WeakPolarHBondContact O-CB 3.46Å; L124-K128 VanDerWaalsContact O-CG 3.22Å; L124-K128 WeakPolarHBondContact O-CG 3.25Å; L124-K128 PolarHBondContact O-N 2.76Å; Q125-K128 PolarHBondContact O-N 3.43Å; Q125-K128 VanDerWaalsContact O-N 3.17Å; K128-I131 PolarHBondContact O-N 2.7Å; K128-K132 WeakPolarHBondContact O-CB 3.39Å; K128-K132 PolarHBondContact O-N 2.94Å |
| 129 | D | 91.1 | Very high | 84.1 | Confident | 79 Ų | 79 | 101.2 Ų | 101.2 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 179 | -70 | -21.5 | 0 | 0 | 0 | 110.8 | Q125 E126 F127 I131 K132 E133 | Q125-D129 PolarHBondContact NE2-OD1 3.08Å; Q125-D129 PolarHBondContact O-N 2.77Å; E126-D129 PolarHBondContact O-N 3.27Å; F127-D129 VanDerWaalsContact C-N 3.34Å; D129-I131 PolarHBondContact O-N 2.69Å; D129-K132 PolarHBondContact O-N 3.07Å; D129-E133 WeakPolarHBondContact O-CB 3.27Å; D129-E133 PolarHBondContact O-N 2.64Å |
| 130 | M | 89.4 | Confident | 83.9 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 173 | 176.1 | 175.8 | 33.6 | 0 | 0 | 112.6 | E126 F127 A134 | E126-M130 WeakPolarHBondContact O-CB 3.42Å; E126-M130 PolarHBondContact O-N 2.81Å; F127-M130 HydrophobicContact CD2-CE 3.74Å; F127-M130 HydrophobicContact CE2-CE 4.45Å; F127-M130 PolarHBondContact O-N 2.76Å; M130-A134 VanDerWaalsContact O-CB 3.31Å; M130-A134 WeakPolarHBondContact O-CB 3.41Å; M130-A134 PolarHBondContact O-N 2.99Å |
| 131 | I | 91 | Very high | 83.5 | Confident | 84 Ų | 84 | 96.2 Ų | 96.2 | 43% | 0.431 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 175.5 | -73.9 | -168.8 | 0 | 0 | 0 | 110.6 | F127 K128 D129 E133 A134 T135 | F127-I131 HydrophobicContact CD1-CD1 4.18Å; F127-I131 HydrophobicContact CE1-CD1 3.41Å; F127-I131 VanDerWaalsContact CE1-CD1 3.41Å; F127-I131 HydrophobicContact CE1-CG1 4.21Å; F127-I131 HydrophobicContact CE2-CD1 4.2Å; F127-I131 HydrophobicContact CE2-CG1 4.41Å; F127-I131 HydrophobicContact CZ-CD1 3.43Å; F127-I131 VanDerWaalsContact CZ-CD1 3.43Å; F127-I131 HydrophobicContact CZ-CG1 4.11Å; F127-I131 PolarHBondContact O-N 2.91Å; K128-I131 PolarHBondContact O-N 2.7Å; D129-I131 PolarHBondContact O-N 2.69Å; I131-E133 PolarHBondContact O-N 3.06Å; I131-A134 PolarHBondContact O-N 2.81Å; I131-T135 HydrophobicContact CG2-CG2 4.37Å; I131-T135 WeakPolarHBondContact O-CG2 3.32Å; I131-T135 PolarHBondContact O-N 3.16Å; I131-T135 PolarHBondContact O-OG1 3.35Å; I131-T135 VanDerWaalsContact O-OG1 3.11Å |
| 132 | K | 92.2 | Very high | 82.7 | Confident | 119 Ų | 119 | 95.8 Ų | 95.8 | 52% | 0.517 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 179.3 | -177.4 | -178.1 | 172.6 | -171.1 | 0 | 111.7 | K128 D129 A134 T135 E136 | K128-K132 WeakPolarHBondContact O-CB 3.39Å; K128-K132 PolarHBondContact O-N 2.94Å; D129-K132 PolarHBondContact O-N 3.07Å; K132-A134 VanDerWaalsContact C-N 3.34Å; K132-A134 PolarHBondContact O-N 3.29Å; K132-T135 WeakPolarHBondContact CA-OG1 3.28Å; K132-T135 PolarHBondContact O-N 3.36Å; K132-T135 PolarHBondContact O-OG1 2.93Å; K132-E136 WeakPolarHBondContact CE-OE1 3.43Å; K132-E136 WeakPolarHBondContact CG-OE1 3.46Å; K132-E136 WeakPolarHBondContact O-CB 3.42Å; K132-E136 VanDerWaalsContact O-CG 3.28Å; K132-E136 WeakPolarHBondContact O-CG 3Å; K132-E136 PolarHBondContact O-N 3.05Å |
| 133 | E | 89.9 | Confident | 81.7 | Confident | 89 Ų | 89 | 98.8 Ų | 98.8 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 177.8 | -161 | -168 | 160.4 | 0 | 0 | 111.5 | D129 I131 R137 | D129-E133 WeakPolarHBondContact O-CB 3.27Å; D129-E133 PolarHBondContact O-N 2.64Å; I131-E133 PolarHBondContact O-N 3.06Å; E133-R137 VanDerWaalsContact CG-NH1 3.28Å; E133-R137 WeakPolarHBondContact O-CG 3.43Å; E133-R137 PolarHBondContact O-N 2.83Å; E133-R137 IonicContact OE1-CZ 3.03Å; E133-R137 IonicContact OE1-NH1 2.72Å; E133-R137 PolarHBondContact OE1-NH1 2.93Å; E133-R137 IonicContact OE1-NH2 2.6Å; E133-R137 PolarHBondContact OE1-NH2 3.47Å; E133-R137 IonicContact OE2-NH1 3.84Å |
| 134 | A | 79.4 | Confident | 80.5 | Confident | 34 Ų | 34 | 104.4 Ų | 104.4 | 28% | 0.281 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.6 | -33.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M130 I131 K132 R138 | M130-A134 VanDerWaalsContact O-CB 3.31Å; M130-A134 WeakPolarHBondContact O-CB 3.41Å; M130-A134 PolarHBondContact O-N 2.99Å; I131-A134 PolarHBondContact O-N 2.81Å; K132-A134 VanDerWaalsContact C-N 3.34Å; K132-A134 PolarHBondContact O-N 3.29Å; A134-R138 WeakPolarHBondContact O-CG 3.15Å; A134-R138 PolarHBondContact O-N 3.1Å |
| 135 | T | 82.5 | Confident | 78.9 | Confident | 74 Ų | 74 | 107.5 Ų | 107.5 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.1 | -40.8 | 175.2 | 50.2 | 0 | 0 | 0 | 0 | 111.5 | I131 K132 R137 R138 A139 | I131-T135 HydrophobicContact CG2-CG2 4.37Å; I131-T135 WeakPolarHBondContact O-CG2 3.32Å; I131-T135 PolarHBondContact O-N 3.16Å; I131-T135 PolarHBondContact O-OG1 3.35Å; I131-T135 VanDerWaalsContact O-OG1 3.11Å; K132-T135 WeakPolarHBondContact CA-OG1 3.28Å; K132-T135 PolarHBondContact O-N 3.36Å; K132-T135 PolarHBondContact O-OG1 2.93Å; T135-R137 PolarHBondContact O-N 2.86Å; T135-R138 PolarHBondContact O-N 2.64Å; T135-R138 VanDerWaalsContact O-N 3.17Å; T135-A139 PolarHBondContact O-N 2.82Å |
| 136 | E | 84.3 | Confident | 76.9 | Confident | 106 Ų | 106 | 107.9 Ų | 107.9 | 50% | 0.495 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 175.6 | -74 | 172.1 | -175.2 | 0 | 0 | 112 | K132 R138 A139 A140 | K132-E136 WeakPolarHBondContact CE-OE1 3.43Å; K132-E136 WeakPolarHBondContact CG-OE1 3.46Å; K132-E136 WeakPolarHBondContact O-CB 3.42Å; K132-E136 VanDerWaalsContact O-CG 3.28Å; K132-E136 WeakPolarHBondContact O-CG 3Å; K132-E136 PolarHBondContact O-N 3.05Å; E136-R138 VanDerWaalsContact C-N 3.32Å; E136-R138 PolarHBondContact O-N 2.87Å; E136-A139 PolarHBondContact O-N 3.19Å; E136-A140 WeakPolarHBondContact O-CB 3.38Å; E136-A140 PolarHBondContact O-N 3.15Å |
| 137 | R | 78.5 | Confident | 74.7 | Confident | 157 Ų | 157 | 107 Ų | 107 | 59% | 0.592 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.2 | -37.6 | 173.1 | -77.7 | -173.4 | 178.3 | 105.3 | 3.9 | 113.3 | E133 T135 A141 | E133-R137 VanDerWaalsContact CG-NH1 3.28Å; E133-R137 WeakPolarHBondContact O-CG 3.43Å; E133-R137 PolarHBondContact O-N 2.83Å; E133-R137 IonicContact OE1-CZ 3.03Å; E133-R137 IonicContact OE1-NH1 2.72Å; E133-R137 PolarHBondContact OE1-NH1 2.93Å; E133-R137 IonicContact OE1-NH2 2.6Å; E133-R137 PolarHBondContact OE1-NH2 3.47Å; E133-R137 IonicContact OE2-NH1 3.84Å; T135-R137 PolarHBondContact O-N 2.86Å; R137-A141 WeakPolarHBondContact O-CB 3.11Å; R137-A141 PolarHBondContact O-N 3.34Å; R137-A141 VanDerWaalsContact O-N 3.15Å |
| 138 | R | 75.3 | Confident | 72.7 | Confident | 172 Ų | 172 | 108 Ų | 108 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.2 | -39.3 | 176.1 | -72.1 | -178 | -178 | 113.7 | -4.9 | 111.7 | A134 T135 E136 A141 L142 | A134-R138 WeakPolarHBondContact O-CG 3.15Å; A134-R138 PolarHBondContact O-N 3.1Å; T135-R138 PolarHBondContact O-N 2.64Å; T135-R138 VanDerWaalsContact O-N 3.17Å; E136-R138 VanDerWaalsContact C-N 3.32Å; E136-R138 PolarHBondContact O-N 2.87Å; R138-A141 PolarHBondContact O-N 2.68Å; R138-L142 WeakPolarHBondContact O-CG 3.32Å; R138-L142 PolarHBondContact O-N 2.97Å |
| 139 | A | 75.6 | Confident | 70.4 | Confident | 53 Ų | 53 | 106.9 Ų | 106.9 | 44% | 0.438 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.5 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T135 E136 A141 L142 D143 | T135-A139 PolarHBondContact O-N 2.82Å; E136-A139 PolarHBondContact O-N 3.19Å; A139-A141 VanDerWaalsContact C-N 3.27Å; A139-A141 PolarHBondContact O-N 2.71Å; A139-L142 WeakPolarHBondContact O-CB 3.47Å; A139-L142 PolarHBondContact O-N 2.84Å; A139-L142 VanDerWaalsContact O-N 3.1Å; A139-D143 PolarHBondContact O-N 3.31Å |
| 140 | A | 73.1 | Confident | 68.2 | Low | 56 Ų | 56 | 111.8 Ų | 111.8 | 46% | 0.463 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64 | -30.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | E136 R144 | E136-A140 WeakPolarHBondContact O-CB 3.38Å; E136-A140 PolarHBondContact O-N 3.15Å; A140-R144 WeakPolarHBondContact O-CG 3.41Å; A140-R144 PolarHBondContact O-N 3.41Å |
| 141 | A | 66.1 | Low | 66 | Low | 49 Ų | 49 | 114.9 Ų | 114.9 | 41% | 0.405 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.7 | -31.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R137 R138 A139 | R137-A141 WeakPolarHBondContact O-CB 3.11Å; R137-A141 PolarHBondContact O-N 3.34Å; R137-A141 VanDerWaalsContact O-N 3.15Å; R138-A141 PolarHBondContact O-N 2.68Å; A139-A141 VanDerWaalsContact C-N 3.27Å; A139-A141 PolarHBondContact O-N 2.71Å |
| 142 | L | 63.3 | Low | 63.8 | Low | 115 Ų | 115 | 116.4 Ų | 116.4 | 60% | 0.602 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74 | -40.4 | 175.5 | -72.1 | 162.3 | 0 | 0 | 0 | 111.6 | R138 A139 R144 Q145 T146 | R138-L142 WeakPolarHBondContact O-CG 3.32Å; R138-L142 PolarHBondContact O-N 2.97Å; A139-L142 WeakPolarHBondContact O-CB 3.47Å; A139-L142 PolarHBondContact O-N 2.84Å; A139-L142 VanDerWaalsContact O-N 3.1Å; L142-R144 VanDerWaalsContact C-N 3.26Å; L142-R144 PolarHBondContact O-N 2.85Å; L142-Q145 PolarHBondContact O-N 2.88Å; L142-T146 PolarHBondContact O-OG1 3.36Å |
| 143 | D | 58.8 | Low | 61.8 | Low | 132 Ų | 132 | 115.1 Ų | 115.1 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.6 | -27.4 | 177.1 | -97.2 | -13.7 | 0 | 0 | 0 | 113.3 | A139 Q145 T146 | A139-D143 PolarHBondContact O-N 3.31Å; D143-Q145 PolarHBondContact O-N 2.78Å; D143-T146 PolarHBondContact O-OG1 3.47Å |
| 144 | R | 58.6 | Low | 59.9 | Low | 224 Ų | 224 | 115.2 Ų | 115.2 | 85% | 0.845 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -14.1 | 171.9 | -75.8 | -176.6 | 179.4 | -169.2 | 0.6 | 113.6 | A140 L142 | A140-R144 WeakPolarHBondContact O-CG 3.41Å; A140-R144 PolarHBondContact O-N 3.41Å; L142-R144 VanDerWaalsContact C-N 3.26Å; L142-R144 PolarHBondContact O-N 2.85Å |
| 145 | Q | 53.4 | Low | 58.3 | Low | 148 Ų | 148 | 120.9 Ų | 120.9 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -1.6 | -178.6 | -64.6 | -172 | 11.9 | 0 | 0 | 113.3 | L142 D143 S147 | L142-Q145 PolarHBondContact O-N 2.88Å; D143-Q145 PolarHBondContact O-N 2.78Å; Q145-S147 PolarHBondContact O-N 2.93Å |
| 146 | T | 46.2 | Very low | 56.8 | Low | 105 Ų | 105 | 122.8 Ų | 122.8 | 64% | 0.644 | 67% | 0.665 | S | S | * | * | trans | -85.3 | 49.5 | -177.3 | -18.7 | 0 | 0 | 0 | 0 | 113.1 | L142 D143 | L142-T146 PolarHBondContact O-OG1 3.36Å; D143-T146 PolarHBondContact O-OG1 3.47Å | ||
| 147 | S | 41.7 | Very low | 55 | Low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -96.2 | 124.5 | 157.3 | -65.7 | 0 | 0 | 0 | 0 | 107.9 | Q145 S149 | Q145-S147 PolarHBondContact O-N 2.93Å; S147-S149 PolarHBondContact O-N 3.23Å |
| 148 | P | 47.2 | Very low | 53.5 | Low | 131 Ų | 131 | 123.3 Ų | 123.3 | 85% | 0.851 | 69% | 0.687 | S | S | * | * | trans | -84.2 | 110.2 | -158.3 | 31.7 | -32.8 | 0 | 0 | 0 | 111.7 | ||||
| 149 | S | 41.5 | Very low | 52.1 | Low | 105 Ų | 105 | 121.8 Ų | 121.8 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | -162.1 | 110.5 | 147.5 | 35.1 | 0 | 0 | 0 | 0 | 112.5 | S147 | S147-S149 PolarHBondContact O-N 3.23Š| ||
| 150 | Q | 44.2 | Very low | 50.9 | Low | 181 Ų | 181 | 122.5 Ų | 122.5 | 85% | 0.846 | 70% | 0.7 | S | S | * | * | trans | 67.5 | 107 | 143 | -60.9 | 179.2 | -19.1 | 0 | 0 | 120 | ||||
| 151 | Q | 44.2 | Very low | 49.8 | Very low | 175 Ų | 175 | 127.8 Ų | 127.8 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 81.3 | 147.6 | 144.9 | -70 | -179.5 | -9.1 | 0 | 0 | 119.1 | T153 | Q151-T153 PolarHBondContact O-N 2.85Å; Q151-T153 VanDerWaalsContact O-N 3.14Å |
| 152 | P | 43.3 | Very low | 49.1 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | trans | -80.3 | 106 | -148.1 | 27.4 | -25.7 | 0 | 0 | 0 | 112.3 | A154 | P152-A154 PolarHBondContact O-N 2.74Š| ||
| 153 | T | 49.8 | Very low | 48.5 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 56% | 0.564 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 24.5 | 173.1 | -30.4 | 0 | 0 | 0 | 0 | 114.3 | Q151 L155 L156 T157 | Q151-T153 PolarHBondContact O-N 2.85Å; Q151-T153 VanDerWaalsContact O-N 3.14Å; T153-L155 VanDerWaalsContact C-N 3.29Å; T153-L156 HydrophobicContact CG2-CB 4.1Å; T153-L156 HydrophobicContact CG2-CD1 4.37Å; T153-T157 PolarHBondContact O-OG1 3.08Å |
| 154 | A | 51.4 | Low | 48.2 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -9.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | P152 | P152-A154 PolarHBondContact O-N 2.74Š|
| 155 | L | 46.1 | Very low | 48.4 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -96.6 | -8.6 | 174.4 | -114.4 | 176.4 | 0 | 0 | 0 | 114.2 | T153 | T153-L155 VanDerWaalsContact C-N 3.29Š|
| 156 | L | 50.5 | Low | 49.3 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 59% | 0.592 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -107.1 | -4.6 | -173.6 | -64.1 | 177.2 | 0 | 0 | 0 | 114.5 | T153 | T153-L156 HydrophobicContact CG2-CB 4.1Å; T153-L156 HydrophobicContact CG2-CD1 4.37Å |
| 157 | T | 46.7 | Very low | 51.1 | Low | 110 Ų | 110 | 131.2 Ų | 131.2 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -2.6 | 178.4 | 12 | 0 | 0 | 0 | 0 | 114.5 | T153 E159 | T153-T157 PolarHBondContact O-OG1 3.08Å; T157-E159 VanDerWaalsContact C-N 3.3Å |
| 158 | L | 46.2 | Very low | 53.1 | Low | 164 Ų | 164 | 130.9 Ų | 130.9 | 86% | 0.859 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 19 | 163.7 | -154.5 | 72.9 | 0 | 0 | 0 | 112.1 | ||
| 159 | E | 46.8 | Very low | 55.2 | Low | 141 Ų | 141 | 124.8 Ų | 124.8 | 66% | 0.659 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -105.5 | -10.9 | 174.4 | -150.6 | 153.3 | -166.9 | 0 | 0 | 111.7 | T157 | T157-E159 VanDerWaalsContact C-N 3.3Š|
| 160 | G | 49.5 | Very low | 57.7 | Low | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -99.3 | 1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 161 | M | 49.6 | Very low | 60 | Low | 167 Ų | 167 | 111.4 Ų | 111.4 | 82% | 0.823 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -116.9 | 81.2 | 178.4 | -62 | -168.1 | 81.3 | 0 | 0 | 109.7 | ||
| 162 | A | 51.4 | Low | 62.4 | Low | 84 Ų | 84 | 104.7 Ų | 104.7 | 69% | 0.694 | 57% | 0.57 | S | S | * | * | trans | 54.1 | 72.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H164 | A162-H164 VanDerWaalsContact C-N 3.26Å; A162-H164 PolarHBondContact O-N 2.03Å | ||
| 163 | S | 51.8 | Low | 64.8 | Low | 99 Ų | 99 | 99.2 Ų | 99.2 | 69% | 0.692 | 54% | 0.535 | S | S | * | . | trans | -52.2 | 104.5 | 145.4 | 58.2 | 0 | 0 | 0 | 0 | 105.9 | R165 | S163-R165 PolarHBondContact O-N 3.03Š| ||
| 164 | H | 51.8 | Low | 66.9 | Low | 174 Ų | 174 | 97.9 Ų | 97.9 | 81% | 0.806 | 52% | 0.521 | S | S | * | . | trans | -37 | 112.3 | 176.4 | -69 | -96.5 | 0 | 0 | 0 | 107.7 | A162 R166 | A162-H164 VanDerWaalsContact C-N 3.26Å; A162-H164 PolarHBondContact O-N 2.03Å; H164-R166 VanDerWaalsContact C-N 3.26Å; H164-R166 VanDerWaalsContact O-CA 3.24Å; H164-R166 WeakPolarHBondContact O-CA 3.18Å; H164-R166 WeakPolarHBondContact O-CB 3.39Å; H164-R166 PolarHBondContact O-N 2.92Å | ||
| 165 | R | 62.6 | Low | 69 | Low | 215 Ų | 215 | 93.7 Ų | 93.7 | 81% | 0.811 | 49% | 0.486 | S | S | * | . | trans | -54.2 | 95.2 | -169 | -146.3 | -177.1 | -169.6 | -160.9 | 2.7 | 107.1 | S163 I167 | S163-R165 PolarHBondContact O-N 3.03Å; R165-I167 PolarHBondContact O-N 2.88Å; R165-I167 VanDerWaalsContact O-N 3.1Å | ||
| 166 | R | 73.8 | Confident | 71.2 | Confident | 192 Ų | 192 | 93.1 Ų | 93.1 | 73% | 0.725 | 48% | 0.477 | S | S | * | . | trans | -80.3 | 109.7 | -158.2 | -148.3 | -161.7 | 152 | 149.8 | -3.7 | 104 | H164 Q168 R203 | H164-R166 VanDerWaalsContact C-N 3.26Å; H164-R166 VanDerWaalsContact O-CA 3.24Å; H164-R166 WeakPolarHBondContact O-CA 3.18Å; H164-R166 WeakPolarHBondContact O-CB 3.39Å; H164-R166 PolarHBondContact O-N 2.92Å; R166-Q168 PolarHBondContact O-N 2.9Å; R166-R203 VanDerWaalsContact CB-NH2 3.27Å; R166-R203 VanDerWaalsContact NE-NH2 3.2Å; R166-R203 PolarHBondContact O-NH2 2.85Å | ||
| 167 | I | 82.7 | Confident | 73.2 | Confident | 80 Ų | 80 | 89 Ų | 89 | 41% | 0.41 | 46% | 0.462 | S | S | . | . | trans | -35.9 | 111.3 | -177.1 | -62.8 | 163.8 | 0 | 0 | 0 | 110.4 | R165 A170 R203 I316 | R165-I167 PolarHBondContact O-N 2.88Å; R165-I167 VanDerWaalsContact O-N 3.1Å; I167-A170 HydrophobicContact CG2-CB 3.56Å; I167-R203 WeakPolarHBondContact O-CD 3.26Å; I167-R203 PolarHBondContact O-NE 2.68Å; I167-R203 PolarHBondContact O-NH1 2.87Å; I167-R203 PolarHBondContact O-NH2 3.4Å; I167-I316 HydrophobicContact CD1-CD1 3.71Å; I167-I316 HydrophobicContact CG1-CD1 4.08Å; I167-I316 HydrophobicContact CG2-CD1 3.71Å; I167-I316 HydrophobicContact CG2-CG1 3.69Å | ||
| 168 | Q | 85.2 | Confident | 75.5 | Confident | 97 Ų | 97 | 87.8 Ų | 87.8 | 45% | 0.453 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -72.8 | -48.7 | -167.8 | -59.6 | -169.5 | 54.9 | 0 | 0 | 111.1 | R166 I218 L317 E320 | R166-Q168 PolarHBondContact O-N 2.9Å; Q168-I218 HydrophobicContact CB-CD1 4.28Å; Q168-L317 HydrophobicContact CB-CD2 4.13Å; Q168-E320 PolarHBondContact NE2-OE1 3.39Å |
| 169 | E | 91.1 | Very high | 77.8 | Confident | 4 Ų | 4 | 81.5 Ų | 81.5 | 2% | 0.019 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -123.9 | 122.8 | 179.4 | -62.3 | -177.6 | -177.4 | 0 | 0 | 109.1 | F214 Q217 Y222 L317 | E169-F214 HydrophobicContact CB-CZ 4.44Å; E169-F214 WeakPolarHBondContact OE2-CZ 3.41Å; E169-Q217 WeakPolarHBondContact OE1-CA 3.46Å; E169-Q217 WeakPolarHBondContact OE1-CB 3.18Å; E169-Q217 VanDerWaalsContact OE1-CG 3.29Å; E169-Q217 WeakPolarHBondContact OE1-CG 3.41Å; E169-Q217 PolarHBondContact OE1-N 2.88Å; E169-Y222 HydrophobicContact CB-CE1 4.31Å; E169-Y222 WeakPolarHBondContact OE2-CE1 3.26Å; E169-Y222 PolarHBondContact OE2-OH 3.23Å; E169-L317 HydrophobicContact CB-CB 4.1Å; E169-L317 PolarHBondContact O-N 2.96Å |
| 170 | A | 92.9 | Very high | 80.1 | Confident | 3 Ų | 3 | 79 Ų | 79 | 3% | 0.025 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 144.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I167 F201 R203 G315 I316 | I167-A170 HydrophobicContact CG2-CB 3.56Å; A170-F201 HydrophobicContact CB-CD2 4.13Å; A170-F201 HydrophobicContact CB-CE2 3.54Å; A170-R203 PolarHBondContact N-O 3.35Å; A170-R203 VanDerWaalsContact N-O 3.08Å; A170-R203 WeakPolarHBondContact O-CA 3.49Å; A170-R203 VanDerWaalsContact O-CB 3.25Å; A170-R203 WeakPolarHBondContact O-CB 3.16Å; A170-R203 PolarHBondContact O-N 2.83Å; A170-R203 VanDerWaalsContact O-O 3.09Å; A170-G315 CarbonylContact C-O 3.48Å; A170-G315 WeakPolarHBondContact CA-O 3.5Å; A170-I316 HydrophobicContact CB-CB 4.07Å; A170-I316 HydrophobicContact CB-CD1 4.36Å; A170-I316 HydrophobicContact CB-CG1 3.97Å |
| 171 | F | 93.8 | Very high | 82.3 | Confident | 1 Ų | 1 | 75.7 Ų | 75.7 | 0% | 0.004 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 153 | 177.8 | 65.2 | -87.4 | 0 | 0 | 0 | 111.1 | F201 L202 M207 F214 F224 F313 M314 G315 | F171-F201 CarbonylContact C-O 3.56Å; F171-F201 WeakPolarHBondContact CA-O 3.35Å; F171-L202 HydrophobicContact CB-CD1 3.82Å; F171-M207 HydrophobicContact CB-CB 4.11Å; F171-M207 HydrophobicContact CB-CG 4.38Å; F171-M207 HydrophobicContact CD1-CB 4.16Å; F171-M207 HydrophobicContact CD2-CB 4.35Å; F171-M207 HydrophobicContact CD2-CG 3.96Å; F171-M207 HydrophobicContact CD2-SD 4.02Å; F171-M207 HydrophobicContact CE2-CG 4.41Å; F171-M207 HydrophobicContact CE2-SD 3.87Å; F171-M207 HydrophobicContact CG-CB 3.94Å; F171-M207 HydrophobicContact CG-CG 4.06Å; F171-M207 HydrophobicContact CG-SD 4.47Å; F171-M207 HydrophobicContact CZ-SD 4.17Å; F171-F214 AromaticContact CD1-CD2 3.48Å; F171-F214 HydrophobicContact CD1-CD2 3.48Å; F171-F214 VanDerWaalsContact CD1-CD2 3.48Å; F171-F214 AromaticContact CD1-CE2 3.68Å; F171-F214 HydrophobicContact CD1-CE2 3.68Å; F171-F214 HydrophobicContact CD1-CG 4.19Å; F171-F214 HydrophobicContact CE1-CB 3.89Å; F171-F214 HydrophobicContact CE1-CD1 4.08Å; F171-F214 AromaticContact CE1-CD2 3.19Å; F171-F214 HydrophobicContact CE1-CD2 3.19Å; F171-F214 HydrophobicContact CE1-CE1 4.44Å; F171-F214 AromaticContact CE1-CE2 3.64Å; F171-F214 HydrophobicContact CE1-CE2 3.64Å; F171-F214 AromaticContact CE1-CG 3.42Å; F171-F214 HydrophobicContact CE1-CG 3.42Å; F171-F214 VanDerWaalsContact CE1-CG 3.42Å; F171-F214 HydrophobicContact CE1-CZ 4.23Å; F171-F214 HydrophobicContact CZ-CB 3.97Å; F171-F214 HydrophobicContact CZ-CD2 4.1Å; F171-F214 HydrophobicContact CZ-CG 4.01Å; F171-F224 HydrophobicContact CE1-CE1 4.07Å; F171-F224 HydrophobicContact CZ-CD1 4.22Å; F171-F224 HydrophobicContact CZ-CE1 4Å; F171-F313 AromaticContact CE2-CD1 3.54Å; F171-F313 HydrophobicContact CE2-CD1 3.54Å; F171-F313 HydrophobicContact CE2-CD2 4.22Å; F171-F313 AromaticContact CE2-CE1 3.62Å; F171-F313 HydrophobicContact CE2-CE1 3.62Å; F171-F313 HydrophobicContact CE2-CE2 4.3Å; F171-F313 AromaticContact CE2-CG 3.85Å; F171-F313 HydrophobicContact CE2-CG 3.85Å; F171-F313 HydrophobicContact CE2-CZ 4.02Å; F171-F313 HydrophobicContact CZ-CD1 4.07Å; F171-F313 HydrophobicContact CZ-CD2 4.49Å; F171-F313 AromaticContact CZ-CE1 3.65Å; F171-F313 HydrophobicContact CZ-CE1 3.65Å; F171-F313 HydrophobicContact CZ-CE2 4.13Å; F171-F313 HydrophobicContact CZ-CG 4.47Å; F171-F313 AromaticContact CZ-CZ 3.69Å; F171-F313 HydrophobicContact CZ-CZ 3.69Å; F171-M314 VanDerWaalsContact O-CA 3.31Å; F171-M314 WeakPolarHBondContact O-CA 3.38Å; F171-G315 VanDerWaalsContact CE1-CA 3.49Å; F171-G315 PolarHBondContact N-O 3.45Å; F171-G315 PolarHBondContact O-N 3.07Å; F171-G315 VanDerWaalsContact O-N 3.1Å |
| 172 | H | 93.8 | Very high | 84.4 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 111.9 | 168.5 | 178.2 | 178.4 | 0 | 0 | 0 | 107.4 | F201 D312 M314 | H172-F201 HydrophobicContact CB-CD1 4.45Å; H172-F201 HydrophobicContact CB-CE1 4.23Å; H172-F201 HydrophobicContact CB-CE2 4.41Å; H172-F201 HydrophobicContact CB-CZ 4.21Å; H172-F201 PolarHBondContact N-O 3.44Å; H172-D312 IonicContact NE2-OD1 3.64Å; H172-M314 HydrophobicContact CB-CG 4.09Å |
| 173 | C | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 152.2 | 178.8 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | F192 Q193 F313 | C173-F192 HydrophobicContact CB-CB 3.96Å; C173-F192 HydrophobicContact CB-CD1 4.14Å; C173-F192 HydrophobicContact CB-CG 4.38Å; C173-Q193 WeakPolarHBondContact CA-O 3.29Å; C173-F313 PolarHBondContact N-O 2.8Å; C173-F313 PolarHBondContact O-N 2.95Å |
| 174 | K | 94.1 | Very high | 88.2 | Confident | 64 Ų | 64 | 78 Ų | 78 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 147.4 | 171.6 | -75.1 | -176.2 | -173.3 | -93.5 | 0 | 110.4 | K176 F192 Q193 P195 G310 S311 D312 | K174-K176 PolarHBondContact O-N 2.84Å; K174-F192 CarbonylContact O-C 3.54Å; K174-F192 WeakPolarHBondContact O-CA 3.4Å; K174-Q193 PolarHBondContact N-O 3.07Å; K174-Q193 PolarHBondContact O-N 3.22Å; K174-P195 HydrophobicContact CB-CG 3.82Å; K174-P195 HydrophobicContact CD-CB 4.3Å; K174-P195 HydrophobicContact CD-CG 3.49Å; K174-P195 VanDerWaalsContact CD-CG 3.49Å; K174-P195 HydrophobicContact CG-CG 3.48Å; K174-P195 VanDerWaalsContact CG-CG 3.48Å; K174-G310 PolarHBondContact NZ-O 3.41Å; K174-S311 CarbonylContact C-O 3.5Å; K174-S311 VanDerWaalsContact CA-O 3.28Å; K174-S311 WeakPolarHBondContact CA-O 3.41Å; K174-D312 WeakPolarHBondContact CE-OD1 3.24Å; K174-D312 WeakPolarHBondContact CG-OD1 3.4Å; K174-D312 IonicContact NZ-OD1 2.61Å; K174-D312 PolarHBondContact NZ-OD1 2.77Å; K174-D312 IonicContact NZ-OD2 3.76Å |
| 175 | L | 94.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 126.8 | 174.3 | -164.4 | 69.4 | 0 | 0 | 0 | 110.3 | G177 V179 Q190 F192 I307 G310 S311 | L175-G177 VanDerWaalsContact CD2-O 3.27Å; L175-G177 WeakPolarHBondContact CD2-O 3.47Å; L175-G177 WeakPolarHBondContact CG-O 3.19Å; L175-V179 HydrophobicContact CD1-CG2 4.34Å; L175-V179 HydrophobicContact CD2-CG2 3.98Å; L175-Q190 WeakPolarHBondContact CD1-O 3.04Å; L175-F192 HydrophobicContact CB-CE1 4.32Å; L175-F192 HydrophobicContact CD1-CD1 4.43Å; L175-F192 HydrophobicContact CD1-CE1 4.15Å; L175-F192 HydrophobicContact CD1-CE2 4.31Å; L175-F192 HydrophobicContact CD1-CZ 4.09Å; L175-I307 HydrophobicContact CD2-CB 4.48Å; L175-I307 HydrophobicContact CD2-CG2 3.72Å; L175-G310 PolarHBondContact O-N 3.03Å; L175-G310 VanDerWaalsContact O-N 3.07Å; L175-S311 PolarHBondContact N-O 3.41Å |
| 176 | K | 93.2 | Very high | 91.9 | Very high | 142 Ų | 142 | 66.2 Ų | 66.2 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -68.8 | -38 | -174.5 | 176.5 | 171.9 | -180 | -175.2 | 0 | 113.3 | K174 N191 Q193 | K174-K176 PolarHBondContact O-N 2.84Å; K176-N191 WeakPolarHBondContact CB-O 2.99Å; K176-N191 PolarHBondContact N-O 2.81Å; K176-Q193 HydrophobicContact CB-CG 4.19Å; K176-Q193 VanDerWaalsContact CG-OE1 3.28Å |
| 177 | G | 92.4 | Very high | 92.9 | Very high | 26 Ų | 26 | 59 Ų | 59 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -143.6 | 170.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L175 | L175-G177 VanDerWaalsContact CD2-O 3.27Å; L175-G177 WeakPolarHBondContact CD2-O 3.47Å; L175-G177 WeakPolarHBondContact CG-O 3.19Å |
| 178 | P | 94.4 | Very high | 93.6 | Very high | 85 Ų | 85 | 56.6 Ų | 56.6 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | trans | -69.1 | 143.3 | 175.8 | 29.5 | -33.8 | 0 | 0 | 0 | 111.3 | T306 I307 | P178-T306 HydrophobicContact CB-CG2 3.91Å; P178-I307 CarbonylContact C-O 3.57Å; P178-I307 WeakPolarHBondContact CA-O 3.38Å | ||
| 179 | V | 95.6 | Very high | 94.1 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 19% | 0.194 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.6 | 177.7 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | L175 V187 L189 I307 | L175-V179 HydrophobicContact CD1-CG2 4.34Å; L175-V179 HydrophobicContact CD2-CG2 3.98Å; V179-V187 HydrophobicContact CG1-CG1 4.33Å; V179-L189 HydrophobicContact CG1-CD2 4.49Å; V179-I307 HydrophobicContact CB-CB 4.45Å; V179-I307 PolarHBondContact N-O 3.46Å; V179-I307 PolarHBondContact O-N 2.89Å |
| 180 | V | 94.9 | Very high | 94.2 | Very high | 87 Ų | 87 | 55.9 Ų | 55.9 | 53% | 0.527 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.1 | 177.1 | -177.6 | 0 | 0 | 0 | 0 | 109 | T306 | V180-T306 HydrophobicContact CG2-CG2 4.36Å |
| 181 | V | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 113 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | V187 V297 N299 S304 I305 I307 | V181-V187 HydrophobicContact CB-CG2 4.47Å; V181-V187 HydrophobicContact CG1-CB 4.16Å; V181-V187 HydrophobicContact CG1-CG2 3.87Å; V181-V187 HydrophobicContact CG2-CB 4.15Å; V181-V187 HydrophobicContact CG2-CG1 4.48Å; V181-V187 HydrophobicContact CG2-CG2 4.41Å; V181-V297 HydrophobicContact CG2-CG1 4.48Å; V181-N299 HydrophobicContact CG1-CB 3.64Å; V181-N299 PolarHBondContact O-ND2 3.19Å; V181-S304 WeakPolarHBondContact O-CA 3.42Å; V181-I305 HydrophobicContact CB-CD1 4.41Å; V181-I305 HydrophobicContact CB-CG1 3.83Å; V181-I305 PolarHBondContact N-O 2.84Å; V181-I305 PolarHBondContact O-N 3.22Å; V181-I307 HydrophobicContact CG2-CD1 3.85Å; V181-I307 HydrophobicContact CG2-CG1 4.27Å |
| 182 | D | 94.1 | Very high | 94.3 | Very high | 100 Ų | 100 | 60.8 Ų | 60.8 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | trans | -66.5 | 161.5 | -177.6 | -77 | -42.3 | 0 | 0 | 0 | 112.4 | K184 T185 N299 | D182-K184 PolarHBondContact O-N 2.88Å; D182-T185 HydrophobicContact CB-CG2 3.72Å; D182-T185 PolarHBondContact N-OG1 2.9Å; D182-T185 PolarHBondContact O-N 2.77Å; D182-T185 PolarHBondContact O-OG1 2.86Å; D182-N299 PolarHBondContact O-ND2 2.94Å | ||
| 183 | K | 91.7 | Very high | 94.2 | Very high | 131 Ų | 131 | 62.8 Ų | 62.8 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 135.5 | 177.3 | 65.2 | -171.7 | 177.8 | -171.5 | 0 | 111.4 | T185 A301 G302 | K183-T185 VanDerWaalsContact C-N 3.25Å; K183-T185 WeakPolarHBondContact O-CG2 3.5Å; K183-T185 PolarHBondContact O-N 2.85Å; K183-A301 WeakPolarHBondContact CB-O 3.43Å; K183-G302 VanDerWaalsContact CD-O 3.26Å; K183-G302 WeakPolarHBondContact CD-O 3.1Å |
| 184 | K | 91.6 | Very high | 94.1 | Very high | 166 Ų | 166 | 64.7 Ų | 64.7 | 72% | 0.722 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 36.9 | 179.5 | -54 | -177.3 | 179.4 | -178.8 | 0 | 113.6 | D182 N299 A301 | D182-K184 PolarHBondContact O-N 2.88Å; K184-N299 CarbonylContact C-O 3.56Å; K184-N299 WeakPolarHBondContact CA-O 3.36Å; K184-N299 PolarHBondContact N-O 2.83Å; K184-A301 PolarHBondContact N-O 2.71Å |
| 185 | T | 95.3 | Very high | 93.6 | Very high | 45 Ų | 45 | 62.3 Ų | 62.3 | 28% | 0.276 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 150.1 | 178.8 | 67.4 | 0 | 0 | 0 | 0 | 111.9 | D182 K183 N299 | D182-T185 HydrophobicContact CB-CG2 3.72Å; D182-T185 PolarHBondContact N-OG1 2.9Å; D182-T185 PolarHBondContact O-N 2.77Å; D182-T185 PolarHBondContact O-OG1 2.86Å; K183-T185 VanDerWaalsContact C-N 3.25Å; K183-T185 WeakPolarHBondContact O-CG2 3.5Å; K183-T185 PolarHBondContact O-N 2.85Å; T185-N299 PolarHBondContact N-O 2.81Å; T185-N299 PolarHBondContact O-N 2.8Å |
| 186 | L | 95.3 | Very high | 92.6 | Very high | 98 Ų | 98 | 68.5 Ų | 68.5 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.9 | 169.8 | -178.8 | 74 | 0 | 0 | 0 | 107.9 | L251 Y296 V297 D298 | L186-L251 HydrophobicContact CD1-CD1 4.39Å; L186-Y296 HydrophobicContact CG-CD1 4.46Å; L186-V297 WeakPolarHBondContact CA-O 3.25Å; L186-D298 HydrophobicContact CD1-CB 3.67Å |
| 187 | V | 96 | Very high | 91.9 | Very high | 40 Ų | 40 | 64.9 Ų | 64.9 | 24% | 0.242 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.4 | -178.3 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | V179 V181 Y296 V297 | V179-V187 HydrophobicContact CG1-CG1 4.33Å; V181-V187 HydrophobicContact CB-CG2 4.47Å; V181-V187 HydrophobicContact CG1-CB 4.16Å; V181-V187 HydrophobicContact CG1-CG2 3.87Å; V181-V187 HydrophobicContact CG2-CB 4.15Å; V181-V187 HydrophobicContact CG2-CG1 4.48Å; V181-V187 HydrophobicContact CG2-CG2 4.41Å; V187-Y296 CarbonylContact O-C 3.53Å; V187-Y296 WeakPolarHBondContact O-CA 3.35Å; V187-V297 PolarHBondContact N-O 2.9Å; V187-V297 PolarHBondContact O-N 2.89Å |
| 188 | E | 96.1 | Very high | 90.6 | Very high | 30 Ų | 30 | 74.4 Ų | 74.4 | 14% | 0.14 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 131.9 | 169.1 | -171.4 | 174.3 | -146 | 0 | 0 | 109.6 | Q190 R213 S294 Y296 | E188-Q190 HydrophobicContact CG-CG 4.45Å; E188-R213 IonicContact OE1-CZ 3.51Å; E188-R213 IonicContact OE1-NE 3.12Å; E188-R213 PolarHBondContact OE1-NE 2.8Å; E188-R213 IonicContact OE1-NH2 3.31Å; E188-R213 PolarHBondContact OE1-NH2 2.94Å; E188-R213 IonicContact OE2-CZ 3.68Å; E188-R213 IonicContact OE2-NE 2.85Å; E188-R213 IonicContact OE2-NH2 2.84Å; E188-R213 PolarHBondContact OE2-NH2 3.4Å; E188-S294 WeakPolarHBondContact OE1-CB 3.25Å; E188-S294 PolarHBondContact OE1-OG 3.1Å; E188-Y296 HydrophobicContact CB-CD1 3.86Å; E188-Y296 HydrophobicContact CB-CE1 3.53Å; E188-Y296 HydrophobicContact CG-CD1 4.24Å; E188-Y296 HydrophobicContact CG-CE1 3.66Å; E188-Y296 PolarHBondContact OE1-OH 2.94Å |
| 189 | L | 95.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | trans | -79.8 | 130.6 | 176.1 | -54.9 | -169.8 | 0 | 0 | 0 | 110.2 | V179 F192 V228 I295 V297 I307 | V179-L189 HydrophobicContact CG1-CD2 4.49Å; L189-F192 HydrophobicContact CB-CE2 3.89Å; L189-F192 HydrophobicContact CB-CZ 3.85Å; L189-F192 WeakPolarHBondContact O-CE2 3.33Å; L189-V228 HydrophobicContact CD1-CG2 4.49Å; L189-I295 HydrophobicContact CB-CB 4.36Å; L189-I295 HydrophobicContact CD1-CB 4.15Å; L189-I295 HydrophobicContact CD1-CG2 3.65Å; L189-I295 HydrophobicContact CG-CB 4.26Å; L189-I295 HydrophobicContact CG-CG2 4.02Å; L189-I295 PolarHBondContact N-O 2.94Å; L189-V297 HydrophobicContact CD1-CG2 4.07Å; L189-V297 HydrophobicContact CD2-CG2 4.03Å; L189-V297 HydrophobicContact CG-CG2 4.15Å; L189-I307 HydrophobicContact CD1-CD1 4.08Å; L189-I307 HydrophobicContact CD2-CD1 3.34Å; L189-I307 HydrophobicContact CG-CD1 4.33Å | ||
| 190 | Q | 94.8 | Very high | 89.1 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 39% | 0.388 | 40% | 0.399 | S | S | . | . | trans | -134 | 174.8 | -175.9 | -55.8 | -176.8 | 1 | 0 | 0 | 110 | L175 E188 | L175-Q190 WeakPolarHBondContact CD1-O 3.04Å; E188-Q190 HydrophobicContact CG-CG 4.45Å | ||
| 191 | N | 93.4 | Very high | 88.8 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | trans | 60.9 | 55.5 | 178.6 | -54.4 | -60.8 | 0 | 0 | 0 | 113.2 | K176 S210 | K176-N191 WeakPolarHBondContact CB-O 2.99Å; K176-N191 PolarHBondContact N-O 2.81Å; N191-S210 PolarHBondContact N-O 3.13Å | ||
| 192 | F | 93.4 | Very high | 88.5 | Confident | 11 Ų | 11 | 77.1 Ų | 77.1 | 5% | 0.048 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 160.4 | 169.4 | -73 | -89.3 | 0 | 0 | 0 | 111.1 | C173 K174 L175 L189 M207 Q209 I295 F313 | C173-F192 HydrophobicContact CB-CB 3.96Å; C173-F192 HydrophobicContact CB-CD1 4.14Å; C173-F192 HydrophobicContact CB-CG 4.38Å; K174-F192 CarbonylContact O-C 3.54Å; K174-F192 WeakPolarHBondContact O-CA 3.4Å; L175-F192 HydrophobicContact CB-CE1 4.32Å; L175-F192 HydrophobicContact CD1-CD1 4.43Å; L175-F192 HydrophobicContact CD1-CE1 4.15Å; L175-F192 HydrophobicContact CD1-CE2 4.31Å; L175-F192 HydrophobicContact CD1-CZ 4.09Å; L189-F192 HydrophobicContact CB-CE2 3.89Å; L189-F192 HydrophobicContact CB-CZ 3.85Å; L189-F192 WeakPolarHBondContact O-CE2 3.33Å; F192-M207 HydrophobicContact CB-CE 4.34Å; F192-M207 HydrophobicContact CD2-CE 4.32Å; F192-M207 HydrophobicContact CG-CE 4.36Å; F192-Q209 PolarHBondContact N-O 2.87Å; F192-Q209 WeakPolarHBondContact O-CB 3.47Å; F192-I295 HydrophobicContact CZ-CD1 4.04Å; F192-F313 HydrophobicContact CD1-CB 4.31Å; F192-F313 HydrophobicContact CE1-CB 3.78Å; F192-F313 HydrophobicContact CZ-CB 4.24Å |
| 193 | Q | 92.7 | Very high | 88.3 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 146.1 | 171.2 | 63.1 | -179.4 | 32.4 | 0 | 0 | 109.3 | C173 K174 K176 P195 | C173-Q193 WeakPolarHBondContact CA-O 3.29Å; K174-Q193 PolarHBondContact N-O 3.07Å; K174-Q193 PolarHBondContact O-N 3.22Å; K176-Q193 HydrophobicContact CB-CG 4.19Å; K176-Q193 VanDerWaalsContact CG-OE1 3.28Å; Q193-P195 VanDerWaalsContact O-CD 3.26Å; Q193-P195 WeakPolarHBondContact O-CD 3.08Å |
| 194 | T | 90.1 | Very high | 88.1 | Confident | 39 Ų | 39 | 71.9 Ų | 71.9 | 24% | 0.239 | 40% | 0.395 | C | S | . | . | trans | -73.5 | 119.7 | 167.7 | -62.4 | 0 | 0 | 0 | 0 | 108.3 | A200 Q209 | T194-A200 HydrophobicContact CG2-CB 3.96Å; T194-Q209 PolarHBondContact OG1-NE2 2.85Å | ||
| 195 | P | 84.2 | Confident | 87.9 | Confident | 14 Ų | 14 | 72.9 Ų | 72.9 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | trans | -56 | 138.3 | 178.7 | -24.8 | 32.9 | 0 | 0 | 0 | 111.1 | K174 Q193 A197 A200 | K174-P195 HydrophobicContact CB-CG 3.82Å; K174-P195 HydrophobicContact CD-CB 4.3Å; K174-P195 HydrophobicContact CD-CG 3.49Å; K174-P195 VanDerWaalsContact CD-CG 3.49Å; K174-P195 HydrophobicContact CG-CG 3.48Å; K174-P195 VanDerWaalsContact CG-CG 3.48Å; Q193-P195 VanDerWaalsContact O-CD 3.26Å; Q193-P195 WeakPolarHBondContact O-CD 3.08Å; P195-A197 HydrophobicContact CB-CB 4.45Å; P195-A197 PolarHBondContact O-N 3.05Å; P195-A200 HydrophobicContact CB-CB 3.82Å; P195-A200 HydrophobicContact CG-CB 3.94Å; P195-A200 VanDerWaalsContact O-CB 3.25Å; P195-A200 WeakPolarHBondContact O-CB 3.4Å | ||
| 196 | P | 74.8 | Confident | 87.6 | Confident | 135 Ų | 135 | 71 Ų | 71 | 88% | 0.877 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -72.5 | 3 | 175.5 | 29.7 | -34.8 | 0 | 0 | 0 | 113.1 | ||
| 197 | A | 78 | Confident | 87.5 | Confident | 65 Ų | 65 | 67.1 Ų | 67.1 | 54% | 0.537 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -71.2 | 140.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P195 G199 A200 | P195-A197 HydrophobicContact CB-CB 4.45Å; P195-A197 PolarHBondContact O-N 3.05Å; A197-G199 PolarHBondContact O-N 3.38Å; A197-A200 PolarHBondContact O-N 2.82Å; A197-A200 VanDerWaalsContact O-N 3.13Å |
| 198 | K | 64.9 | Low | 87.4 | Confident | 226 Ų | 226 | 68.3 Ų | 68.3 | 98% | 0.983 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 96.3 | 173.9 | -66 | -178.9 | -179.6 | -179.6 | 0 | 109.2 | ||
| 199 | G | 76.2 | Confident | 87.1 | Confident | 60 Ų | 60 | 70 Ų | 70 | 62% | 0.619 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 140.6 | -19.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A197 F201 | A197-G199 PolarHBondContact O-N 3.38Å; G199-F201 WeakPolarHBondContact O-CD1 3.4Å |
| 200 | A | 82.8 | Confident | 87 | Confident | 24 Ų | 24 | 73.2 Ų | 73.2 | 20% | 0.198 | 40% | 0.404 | C | S | . | . | trans | -77.6 | 144.6 | 166 | 0 | 0 | 0 | 0 | 0 | 110.4 | T194 P195 A197 | T194-A200 HydrophobicContact CG2-CB 3.96Å; P195-A200 HydrophobicContact CB-CB 3.82Å; P195-A200 HydrophobicContact CG-CB 3.94Å; P195-A200 VanDerWaalsContact O-CB 3.25Å; P195-A200 WeakPolarHBondContact O-CB 3.4Å; A197-A200 PolarHBondContact O-N 2.82Å; A197-A200 VanDerWaalsContact O-N 3.13Å | ||
| 201 | F | 87.4 | Confident | 86.8 | Confident | 97 Ų | 97 | 71.5 Ų | 71.5 | 43% | 0.425 | 40% | 0.399 | S | S | . | . | trans | -143.3 | 149.6 | -177 | 54.7 | -94.3 | 0 | 0 | 0 | 110.5 | A170 F171 H172 G199 | A170-F201 HydrophobicContact CB-CD2 4.13Å; A170-F201 HydrophobicContact CB-CE2 3.54Å; F171-F201 CarbonylContact C-O 3.56Å; F171-F201 WeakPolarHBondContact CA-O 3.35Å; H172-F201 HydrophobicContact CB-CD1 4.45Å; H172-F201 HydrophobicContact CB-CE1 4.23Å; H172-F201 HydrophobicContact CB-CE2 4.41Å; H172-F201 HydrophobicContact CB-CZ 4.21Å; H172-F201 PolarHBondContact N-O 3.44Å; G199-F201 WeakPolarHBondContact O-CD1 3.4Å | ||
| 202 | L | 90 | Very high | 86.8 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 117.8 | 168.4 | -172.2 | 78.3 | 0 | 0 | 0 | 106.1 | F171 M207 | F171-L202 HydrophobicContact CB-CD1 3.82Å; L202-M207 HydrophobicContact CD1-CB 3.85Å; L202-M207 HydrophobicContact CD1-CG 4.18Å |
| 203 | R | 89.4 | Confident | 86.8 | Confident | 84 Ų | 84 | 70.1 Ų | 70.1 | 32% | 0.317 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 131 | -175.1 | -172.9 | 162.7 | -175.7 | -173.5 | -21 | 110.6 | R166 I167 A170 | R166-R203 VanDerWaalsContact CB-NH2 3.27Å; R166-R203 VanDerWaalsContact NE-NH2 3.2Å; R166-R203 PolarHBondContact O-NH2 2.85Å; I167-R203 WeakPolarHBondContact O-CD 3.26Å; I167-R203 PolarHBondContact O-NE 2.68Å; I167-R203 PolarHBondContact O-NH1 2.87Å; I167-R203 PolarHBondContact O-NH2 3.4Å; A170-R203 PolarHBondContact N-O 3.35Å; A170-R203 VanDerWaalsContact N-O 3.08Å; A170-R203 WeakPolarHBondContact O-CA 3.49Å; A170-R203 VanDerWaalsContact O-CB 3.25Å; A170-R203 WeakPolarHBondContact O-CB 3.16Å; A170-R203 PolarHBondContact O-N 2.83Å; A170-R203 VanDerWaalsContact O-O 3.09Å |
| 204 | G | 87.8 | Confident | 87 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 37% | 0.371 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 83.8 | -177.2 | -163.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 205 | K | 86.9 | Confident | 87.3 | Confident | 187 Ų | 187 | 67.6 Ų | 67.6 | 81% | 0.813 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -116.1 | 17.5 | 175.9 | -45.5 | 173.1 | 178.8 | 174.6 | 0 | 112.3 | Q217 | K205-Q217 VanDerWaalsContact CB-NE2 3.32Å; K205-Q217 PolarHBondContact O-NE2 2.92Å |
| 206 | G | 89.4 | Confident | 87.8 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 6% | 0.062 | 37% | 0.372 | C | S | . | . | trans | -74.3 | -34.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F214 T215 | G206-F214 CarbonylContact O-C 3.56Å; G206-F214 WeakPolarHBondContact O-CA 3.17Å; G206-T215 WeakPolarHBondContact CA-O 3.31Å; G206-T215 PolarHBondContact O-N 3.32Å | ||
| 207 | M | 92.8 | Very high | 88.6 | Confident | 16 Ų | 16 | 64.9 Ų | 64.9 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 116.2 | -177 | -177.1 | 65.2 | -170.3 | 0 | 0 | 111.8 | F171 F192 L202 F214 F313 | F171-M207 HydrophobicContact CB-CB 4.11Å; F171-M207 HydrophobicContact CB-CG 4.38Å; F171-M207 HydrophobicContact CD1-CB 4.16Å; F171-M207 HydrophobicContact CD2-CB 4.35Å; F171-M207 HydrophobicContact CD2-CG 3.96Å; F171-M207 HydrophobicContact CD2-SD 4.02Å; F171-M207 HydrophobicContact CE2-CG 4.41Å; F171-M207 HydrophobicContact CE2-SD 3.87Å; F171-M207 HydrophobicContact CG-CB 3.94Å; F171-M207 HydrophobicContact CG-CG 4.06Å; F171-M207 HydrophobicContact CG-SD 4.47Å; F171-M207 HydrophobicContact CZ-SD 4.17Å; F192-M207 HydrophobicContact CB-CE 4.34Å; F192-M207 HydrophobicContact CD2-CE 4.32Å; F192-M207 HydrophobicContact CG-CE 4.36Å; L202-M207 HydrophobicContact CD1-CB 3.85Å; L202-M207 HydrophobicContact CD1-CG 4.18Å; M207-F214 HydrophobicContact CB-CD2 3.99Å; M207-F214 HydrophobicContact SD-CB 3.87Å; M207-F313 HydrophobicContact CE-CD1 3.89Å; M207-F313 HydrophobicContact CE-CE1 4.17Å; M207-F313 HydrophobicContact SD-CD1 4.34Å; M207-F313 HydrophobicContact SD-CE1 4.16Å |
| 208 | D | 93.8 | Very high | 89.3 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 35% | 0.353 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 112.6 | 167.1 | 177.6 | 6.2 | 0 | 0 | 0 | 110.1 | S210 T211 G212 R213 | D208-S210 VanDerWaalsContact C-N 3.32Å; D208-S210 PolarHBondContact O-N 2.89Å; D208-S210 PolarHBondContact OD1-N 3.47Å; D208-S210 PolarHBondContact OD1-OG 2.77Å; D208-S210 PolarHBondContact OD2-OG 3.5Å; D208-T211 WeakPolarHBondContact CB-OG1 3.35Å; D208-T211 WeakPolarHBondContact OD2-CB 3.31Å; D208-T211 WeakPolarHBondContact OD2-CG2 3.42Å; D208-T211 PolarHBondContact OD2-OG1 3.01Å; D208-G212 WeakPolarHBondContact O-CA 3.47Å; D208-G212 PolarHBondContact O-N 3.11Å; D208-R213 PolarHBondContact N-O 2.83Å; D208-R213 PolarHBondContact O-N 3.42Å |
| 209 | Q | 91.4 | Very high | 90.7 | Very high | 66 Ų | 66 | 55.9 Ų | 55.9 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -31.7 | -177 | -68.2 | 178.6 | -3.5 | 0 | 0 | 112.9 | F192 T194 | F192-Q209 PolarHBondContact N-O 2.87Å; F192-Q209 WeakPolarHBondContact O-CB 3.47Å; T194-Q209 PolarHBondContact OG1-NE2 2.85Å |
| 210 | S | 91.9 | Very high | 91.6 | Very high | 69 Ų | 69 | 53.1 Ų | 53.1 | 48% | 0.483 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -50.9 | -176.6 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | N191 D208 | N191-S210 PolarHBondContact N-O 3.13Å; D208-S210 VanDerWaalsContact C-N 3.32Å; D208-S210 PolarHBondContact O-N 2.89Å; D208-S210 PolarHBondContact OD1-N 3.47Å; D208-S210 PolarHBondContact OD1-OG 2.77Å; D208-S210 PolarHBondContact OD2-OG 3.5Å |
| 211 | T | 92 | Very high | 92.2 | Very high | 46 Ų | 46 | 56 Ų | 56 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -18.8 | 179.2 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | D208 R213 | D208-T211 WeakPolarHBondContact CB-OG1 3.35Å; D208-T211 WeakPolarHBondContact OD2-CB 3.31Å; D208-T211 WeakPolarHBondContact OD2-CG2 3.42Å; D208-T211 PolarHBondContact OD2-OG1 3.01Å; T211-R213 PolarHBondContact O-N 2.88Å |
| 212 | G | 92.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 21.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D208 S294 | D208-G212 WeakPolarHBondContact O-CA 3.47Å; D208-G212 PolarHBondContact O-N 3.11Å; G212-S294 PolarHBondContact O-OG 3.31Å |
| 213 | R | 95.4 | Very high | 92.9 | Very high | 80 Ų | 80 | 51.3 Ų | 51.3 | 30% | 0.302 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.9 | -178.3 | -63.9 | -177.9 | 177.8 | 171.2 | 4.7 | 110.5 | E188 D208 T211 Y292 T293 | E188-R213 IonicContact OE1-CZ 3.51Å; E188-R213 IonicContact OE1-NE 3.12Å; E188-R213 PolarHBondContact OE1-NE 2.8Å; E188-R213 IonicContact OE1-NH2 3.31Å; E188-R213 PolarHBondContact OE1-NH2 2.94Å; E188-R213 IonicContact OE2-CZ 3.68Å; E188-R213 IonicContact OE2-NE 2.85Å; E188-R213 IonicContact OE2-NH2 2.84Å; E188-R213 PolarHBondContact OE2-NH2 3.4Å; D208-R213 PolarHBondContact N-O 2.83Å; D208-R213 PolarHBondContact O-N 3.42Å; T211-R213 PolarHBondContact O-N 2.88Å; R213-Y292 HydrophobicContact CB-CD2 4.31Å; R213-Y292 HydrophobicContact CG-CD2 4.08Å; R213-T293 WeakPolarHBondContact CA-O 3.43Å |
| 214 | F | 95.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 114.4 | 171.8 | 173.6 | -101.1 | 0 | 0 | 0 | 109.9 | E169 F171 G206 M207 A216 Y222 F224 L287 Y292 T293 | E169-F214 HydrophobicContact CB-CZ 4.44Å; E169-F214 WeakPolarHBondContact OE2-CZ 3.41Å; F171-F214 AromaticContact CD1-CD2 3.48Å; F171-F214 HydrophobicContact CD1-CD2 3.48Å; F171-F214 VanDerWaalsContact CD1-CD2 3.48Å; F171-F214 AromaticContact CD1-CE2 3.68Å; F171-F214 HydrophobicContact CD1-CE2 3.68Å; F171-F214 HydrophobicContact CD1-CG 4.19Å; F171-F214 HydrophobicContact CE1-CB 3.89Å; F171-F214 HydrophobicContact CE1-CD1 4.08Å; F171-F214 AromaticContact CE1-CD2 3.19Å; F171-F214 HydrophobicContact CE1-CD2 3.19Å; F171-F214 HydrophobicContact CE1-CE1 4.44Å; F171-F214 AromaticContact CE1-CE2 3.64Å; F171-F214 HydrophobicContact CE1-CE2 3.64Å; F171-F214 AromaticContact CE1-CG 3.42Å; F171-F214 HydrophobicContact CE1-CG 3.42Å; F171-F214 VanDerWaalsContact CE1-CG 3.42Å; F171-F214 HydrophobicContact CE1-CZ 4.23Å; F171-F214 HydrophobicContact CZ-CB 3.97Å; F171-F214 HydrophobicContact CZ-CD2 4.1Å; F171-F214 HydrophobicContact CZ-CG 4.01Å; G206-F214 CarbonylContact O-C 3.56Å; G206-F214 WeakPolarHBondContact O-CA 3.17Å; M207-F214 HydrophobicContact CB-CD2 3.99Å; M207-F214 HydrophobicContact SD-CB 3.87Å; F214-A216 HydrophobicContact CE1-CB 4.45Å; F214-Y222 AromaticContact CE1-CD1 3.81Å; F214-Y222 HydrophobicContact CE1-CD1 3.81Å; F214-Y222 AromaticContact CE1-CE1 3.67Å; F214-Y222 HydrophobicContact CE1-CE1 3.67Å; F214-Y222 HydrophobicContact CZ-CD1 4.04Å; F214-Y222 AromaticContact CZ-CE1 3.62Å; F214-Y222 HydrophobicContact CZ-CE1 3.62Å; F214-F224 AromaticContact CD1-CE1 3.73Å; F214-F224 HydrophobicContact CD1-CE1 3.73Å; F214-F224 AromaticContact CD1-CZ 3.67Å; F214-F224 HydrophobicContact CD1-CZ 3.67Å; F214-F224 HydrophobicContact CE1-CE1 4.2Å; F214-F224 AromaticContact CE1-CZ 3.91Å; F214-F224 HydrophobicContact CE1-CZ 3.91Å; F214-F224 HydrophobicContact CG-CE1 4.31Å; F214-L287 HydrophobicContact CD1-CD1 4.27Å; F214-L287 HydrophobicContact CE1-CD1 4.11Å; F214-Y292 CarbonylContact O-C 3.56Å; F214-Y292 WeakPolarHBondContact O-CA 3.48Å; F214-T293 PolarHBondContact N-O 3.33Å; F214-T293 PolarHBondContact O-N 3.41Å |
| 215 | T | 96 | Very high | 93.6 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.9 | 175.1 | -51 | 0 | 0 | 0 | 0 | 110 | G206 Q217 Q291 | G206-T215 WeakPolarHBondContact CA-O 3.31Å; G206-T215 PolarHBondContact O-N 3.32Å; T215-Q217 PolarHBondContact O-N 2.95Å; T215-Q291 WeakPolarHBondContact CA-O 3.45Å |
| 216 | A | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -68.6 | 123.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F214 Y222 L287 G290 Q291 | F214-A216 HydrophobicContact CE1-CB 4.45Å; A216-Y222 HydrophobicContact CB-CE2 3.93Å; A216-L287 HydrophobicContact CB-CB 3.68Å; A216-L287 HydrophobicContact CB-CD1 3.95Å; A216-L287 HydrophobicContact CB-CG 4.46Å; A216-G290 PolarHBondContact O-N 2.92Å; A216-Q291 PolarHBondContact N-O 2.97Å | ||
| 217 | Q | 92.9 | Very high | 94.4 | Very high | 93 Ų | 93 | 39.3 Ų | 39.3 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -88.8 | -17.9 | 174.8 | -39.4 | -170.1 | -18.9 | 0 | 0 | 111.7 | E169 K205 T215 V289 | E169-Q217 WeakPolarHBondContact OE1-CA 3.46Å; E169-Q217 WeakPolarHBondContact OE1-CB 3.18Å; E169-Q217 VanDerWaalsContact OE1-CG 3.29Å; E169-Q217 WeakPolarHBondContact OE1-CG 3.41Å; E169-Q217 PolarHBondContact OE1-N 2.88Å; K205-Q217 VanDerWaalsContact CB-NE2 3.32Å; K205-Q217 PolarHBondContact O-NE2 2.92Å; T215-Q217 PolarHBondContact O-N 2.95Å; Q217-V289 VanDerWaalsContact O-CG2 3.31Å; Q217-V289 WeakPolarHBondContact O-CG2 3.27Å |
| 218 | I | 92.3 | Very high | 94.6 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -126.7 | 145 | -177.8 | -52.2 | 174.6 | 0 | 0 | 0 | 108 | Q168 Y222 L317 E320 | Q168-I218 HydrophobicContact CB-CD1 4.28Å; I218-Y222 PolarHBondContact O-OH 3.44Å; I218-L317 HydrophobicContact CD1-CD2 4.26Å; I218-E320 HydrophobicContact CG2-CG 3.63Å; I218-E320 WeakPolarHBondContact CG2-OE1 3.21Å |
| 219 | T | 94.9 | Very high | 94.7 | Very high | 60 Ų | 60 | 37.9 Ų | 37.9 | 37% | 0.368 | 20% | 0.199 | S | C | . | . | trans | -80.5 | 132.3 | 173.6 | -59.4 | 0 | 0 | 0 | 0 | 109.1 | L287 Q288 V289 | T219-L287 CarbonylContact C-O 3.57Å; T219-L287 VanDerWaalsContact CA-O 3.25Å; T219-L287 WeakPolarHBondContact CA-O 3.21Å; T219-Q288 HydrophobicContact CG2-CG 4.39Å; T219-V289 PolarHBondContact OG1-N 3.15Å | ||
| 220 | G | 94.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.2 | -169.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y222 E286 L287 G319 | G220-Y222 WeakPolarHBondContact O-CD2 3.41Å; G220-E286 WeakPolarHBondContact O-CA 3.47Å; G220-L287 PolarHBondContact N-O 3.04Å; G220-L287 PolarHBondContact O-N 3.37Å; G220-G319 CarbonylContact C-O 3.5Å; G220-G319 VanDerWaalsContact CA-O 3.27Å; G220-G319 WeakPolarHBondContact CA-O 3.27Å |
| 221 | I | 95.3 | Very high | 94.9 | Very high | 83 Ų | 83 | 32.3 Ų | 32.3 | 43% | 0.426 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119 | -179.9 | -56.4 | 174.5 | 0 | 0 | 0 | 109.4 | L284 L318 G319 | I221-L284 HydrophobicContact CG2-CB 4.22Å; I221-L284 HydrophobicContact CG2-CD1 4.5Å; I221-L284 HydrophobicContact CG2-CD2 4.37Å; I221-L318 PolarHBondContact O-N 3.45Å; I221-G319 PolarHBondContact N-O 3.37Å |
| 222 | Y | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.6 | 178.4 | -69.7 | -96.3 | 0 | 0 | 0 | 110.5 | E169 F214 A216 I218 G220 F224 L284 L285 L287 I316 L317 | E169-Y222 HydrophobicContact CB-CE1 4.31Å; E169-Y222 WeakPolarHBondContact OE2-CE1 3.26Å; E169-Y222 PolarHBondContact OE2-OH 3.23Å; F214-Y222 AromaticContact CE1-CD1 3.81Å; F214-Y222 HydrophobicContact CE1-CD1 3.81Å; F214-Y222 AromaticContact CE1-CE1 3.67Å; F214-Y222 HydrophobicContact CE1-CE1 3.67Å; F214-Y222 HydrophobicContact CZ-CD1 4.04Å; F214-Y222 AromaticContact CZ-CE1 3.62Å; F214-Y222 HydrophobicContact CZ-CE1 3.62Å; A216-Y222 HydrophobicContact CB-CE2 3.93Å; I218-Y222 PolarHBondContact O-OH 3.44Å; G220-Y222 WeakPolarHBondContact O-CD2 3.41Å; Y222-F224 HydrophobicContact CD1-CZ 4.44Å; Y222-F224 HydrophobicContact CG-CE2 4.3Å; Y222-F224 HydrophobicContact CG-CZ 4.27Å; Y222-L284 CarbonylContact O-C 3.48Å; Y222-L284 VanDerWaalsContact O-CA 3.31Å; Y222-L284 WeakPolarHBondContact O-CA 3.44Å; Y222-L285 PolarHBondContact N-O 3.26Å; Y222-L285 PolarHBondContact O-N 3.21Å; Y222-L287 HydrophobicContact CD2-CB 3.73Å; Y222-L287 HydrophobicContact CD2-CD1 3.76Å; Y222-L287 HydrophobicContact CD2-CG 3.86Å; Y222-L287 HydrophobicContact CE2-CB 3.81Å; Y222-L287 HydrophobicContact CE2-CD1 4.19Å; Y222-L287 HydrophobicContact CE2-CG 4.37Å; Y222-L287 HydrophobicContact CG-CD1 3.97Å; Y222-L287 HydrophobicContact CG-CG 4.44Å; Y222-I316 CarbonylContact C-O 3.49Å; Y222-I316 WeakPolarHBondContact CA-O 3.31Å; Y222-L317 HydrophobicContact CD1-CB 4.01Å; Y222-L317 HydrophobicContact CD1-CD1 4.23Å; Y222-L317 HydrophobicContact CD2-CD1 4.15Å; Y222-L317 HydrophobicContact CE1-CB 3.7Å; Y222-L317 HydrophobicContact CE1-CD1 3.86Å; Y222-L317 HydrophobicContact CE1-CG 4.3Å; Y222-L317 HydrophobicContact CE2-CD1 3.77Å; Y222-L317 HydrophobicContact CG-CD1 4.38Å |
| 223 | Q | 96.2 | Very high | 94.3 | Very high | 81 Ų | 81 | 32.4 Ų | 32.4 | 38% | 0.379 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124.2 | 168 | -178.1 | 178.4 | 2.3 | 0 | 0 | 109.3 | G283 L284 G315 I316 L318 | Q223-G283 WeakPolarHBondContact CA-O 3.34Å; Q223-L284 HydrophobicContact CB-CD2 3.64Å; Q223-L284 HydrophobicContact CG-CD2 3.98Å; Q223-G315 CarbonylContact O-C 3.49Å; Q223-G315 VanDerWaalsContact O-CA 3.26Å; Q223-G315 WeakPolarHBondContact O-CA 3.43Å; Q223-I316 HydrophobicContact CB-CG2 3.81Å; Q223-I316 PolarHBondContact N-O 3.04Å; Q223-I316 PolarHBondContact O-N 3.15Å; Q223-L318 HydrophobicContact CB-CD1 3.87Å; Q223-L318 HydrophobicContact CB-CD2 4.3Å; Q223-L318 HydrophobicContact CB-CG 3.99Å |
| 224 | F | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 146 | 175 | -66.7 | -77.7 | 0 | 0 | 0 | 110.9 | F171 F214 Y222 I252 L264 Q282 G283 L285 L287 T293 F313 M314 | F171-F224 HydrophobicContact CE1-CE1 4.07Å; F171-F224 HydrophobicContact CZ-CD1 4.22Å; F171-F224 HydrophobicContact CZ-CE1 4Å; F214-F224 AromaticContact CD1-CE1 3.73Å; F214-F224 HydrophobicContact CD1-CE1 3.73Å; F214-F224 AromaticContact CD1-CZ 3.67Å; F214-F224 HydrophobicContact CD1-CZ 3.67Å; F214-F224 HydrophobicContact CE1-CE1 4.2Å; F214-F224 AromaticContact CE1-CZ 3.91Å; F214-F224 HydrophobicContact CE1-CZ 3.91Å; F214-F224 HydrophobicContact CG-CE1 4.31Å; Y222-F224 HydrophobicContact CD1-CZ 4.44Å; Y222-F224 HydrophobicContact CG-CE2 4.3Å; Y222-F224 HydrophobicContact CG-CZ 4.27Å; F224-I252 HydrophobicContact CB-CD1 3.9Å; F224-I252 HydrophobicContact CB-CG2 4.39Å; F224-I252 HydrophobicContact CG-CG2 4.38Å; F224-L264 HydrophobicContact CB-CD1 4.2Å; F224-Q282 WeakPolarHBondContact O-CA 3.49Å; F224-G283 PolarHBondContact N-O 3.27Å; F224-G283 PolarHBondContact O-N 2.84Å; F224-L285 HydrophobicContact CD2-CB 4.08Å; F224-L285 HydrophobicContact CD2-CD1 3.9Å; F224-L285 HydrophobicContact CD2-CG 4.26Å; F224-L285 HydrophobicContact CE2-CB 4.08Å; F224-L285 HydrophobicContact CE2-CD1 4.22Å; F224-L287 HydrophobicContact CE2-CD1 3.76Å; F224-L287 HydrophobicContact CE2-CG 4.47Å; F224-L287 HydrophobicContact CZ-CD1 3.6Å; F224-T293 WeakPolarHBondContact CE1-OG1 3.44Å; F224-T293 HydrophobicContact CE2-CG2 4.27Å; F224-T293 HydrophobicContact CZ-CG2 4.2Å; F224-T293 WeakPolarHBondContact CZ-OG1 3.35Å; F224-F313 AromaticContact CD1-CE2 3.88Å; F224-F313 HydrophobicContact CD1-CE2 3.88Å; F224-F313 HydrophobicContact CD1-CZ 4.03Å; F224-F313 HydrophobicContact CE1-CZ 4.34Å; F224-M314 WeakPolarHBondContact CA-O 3.41Å |
| 225 | S | 96.4 | Very high | 92.6 | Very high | 19 Ų | 19 | 32.9 Ų | 32.9 | 13% | 0.133 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 135 | 171.6 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | V281 M314 | S225-V281 CarbonylContact C-O 3.6Å; S225-V281 VanDerWaalsContact CA-O 3.26Å; S225-V281 WeakPolarHBondContact CA-O 3.33Å; S225-M314 PolarHBondContact N-O 3.06Å; S225-M314 PolarHBondContact O-N 3.08Å |
| 226 | A | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 126.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V228 I252 N280 V281 I295 D312 F313 | A226-V228 HydrophobicContact CB-CG2 4.45Å; A226-I252 HydrophobicContact CB-CD1 3.98Å; A226-N280 WeakPolarHBondContact O-CA 3.48Å; A226-N280 PolarHBondContact O-OD1 2.78Å; A226-V281 PolarHBondContact N-O 3.35Å; A226-V281 PolarHBondContact O-N 3.08Å; A226-I295 HydrophobicContact CB-CD1 3.72Å; A226-I295 HydrophobicContact CB-CG1 4.22Å; A226-D312 CarbonylContact C-O 3.54Å; A226-D312 VanDerWaalsContact CA-O 3.25Å; A226-D312 WeakPolarHBondContact CA-O 3.34Å; A226-F313 HydrophobicContact CB-CD2 4.34Å |
| 227 | N | 96.1 | Very high | 90.6 | Very high | 41 Ų | 41 | 43.2 Ų | 43.2 | 22% | 0.219 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 100.6 | 172.8 | -66.9 | -46.1 | 0 | 0 | 0 | 108.6 | T278 N280 S311 D312 | N227-T278 HydrophobicContact CB-CG2 4.26Å; N227-N280 PolarHBondContact OD1-OD1 2.97Å; N227-S311 CarbonylContact O-C 3.59Å; N227-S311 WeakPolarHBondContact O-CA 3.48Å; N227-S311 WeakPolarHBondContact O-CB 3.28Å; N227-D312 HydrophobicContact CB-CB 4.13Å; N227-D312 PolarHBondContact N-O 3.35Å; N227-D312 PolarHBondContact O-N 2.92Å |
| 228 | V | 96.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.9 | -176 | -175 | 0 | 0 | 0 | 0 | 109.5 | L189 A226 I230 V250 T278 V279 I307 | L189-V228 HydrophobicContact CD1-CG2 4.49Å; A226-V228 HydrophobicContact CB-CG2 4.45Å; V228-I230 HydrophobicContact CG1-CD1 4.41Å; V228-I230 HydrophobicContact CG1-CG1 3.95Å; V228-V250 HydrophobicContact CB-CG1 4.41Å; V228-V250 HydrophobicContact CB-CG2 4.35Å; V228-V250 HydrophobicContact CG2-CG1 3.68Å; V228-V250 HydrophobicContact CG2-CG2 4.48Å; V228-T278 CarbonylContact O-C 3.6Å; V228-T278 WeakPolarHBondContact O-CA 3.2Å; V228-V279 PolarHBondContact N-O 3.07Å; V228-V279 PolarHBondContact O-N 3.37Å; V228-I307 HydrophobicContact CG1-CD1 4.15Å; V228-I307 HydrophobicContact CG1-CG1 4.18Å; V228-I307 HydrophobicContact CG1-CG2 3.68Å |
| 229 | H | 95.3 | Very high | 88.4 | Confident | 51 Ų | 51 | 44.2 Ų | 44.2 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 116.4 | 176.8 | -60.2 | -52.1 | 0 | 0 | 0 | 109.7 | I276 T278 I307 Q308 S311 | H229-I276 HydrophobicContact CB-CG2 4.23Å; H229-T278 PolarHBondContact CE1-OG1 3.22Å; H229-T278 WeakPolarHBondContact ND1-CG2 3.46Å; H229-T278 PolarHBondContact ND1-OG1 2.87Å; H229-I307 CarbonylContact O-C 3.43Å; H229-I307 WeakPolarHBondContact O-CA 3.33Å; H229-Q308 HydrophobicContact CB-CB 3.96Å; H229-Q308 PolarHBondContact O-N 3.37Å; H229-S311 PolarHBondContact N-OG 3.44Å |
| 230 | I | 94.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.2 | -174.3 | -54.3 | -179.7 | 0 | 0 | 0 | 109.2 | V228 V248 V250 I276 F277 V279 I305 | V228-I230 HydrophobicContact CG1-CD1 4.41Å; V228-I230 HydrophobicContact CG1-CG1 3.95Å; I230-V248 HydrophobicContact CD1-CG1 3.92Å; I230-V250 HydrophobicContact CD1-CG2 4.36Å; I230-I276 VanDerWaalsContact O-CA 3.28Å; I230-I276 WeakPolarHBondContact O-CA 3.15Å; I230-F277 HydrophobicContact CB-CD1 4.4Å; I230-F277 HydrophobicContact CB-CE1 3.88Å; I230-F277 HydrophobicContact CB-CE2 4.17Å; I230-F277 HydrophobicContact CB-CZ 3.75Å; I230-F277 HydrophobicContact CD1-CE2 4.04Å; I230-F277 HydrophobicContact CD1-CZ 4.01Å; I230-F277 HydrophobicContact CG1-CZ 4.41Å; I230-F277 HydrophobicContact CG2-CE1 3.86Å; I230-F277 HydrophobicContact CG2-CZ 3.82Å; I230-F277 PolarHBondContact N-O 3.28Å; I230-F277 PolarHBondContact O-N 3Å; I230-V279 HydrophobicContact CD1-CG2 3.67Å; I230-V279 HydrophobicContact CG1-CG2 4.45Å; I230-I305 HydrophobicContact CG2-CB 4.01Å; I230-I305 HydrophobicContact CG2-CD1 4.02Å; I230-I305 HydrophobicContact CG2-CG1 4.41Å; I230-I305 HydrophobicContact CG2-CG2 4.49Å |
| 231 | D | 92.7 | Very high | 85.5 | Confident | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.102 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 116.1 | 168 | -170.5 | -22.4 | 0 | 0 | 0 | 109.1 | N233 K275 I276 T306 Q308 | D231-N233 WeakPolarHBondContact OD1-CB 2.96Å; D231-N233 PolarHBondContact OD1-N 2.87Å; D231-K275 WeakPolarHBondContact OD2-CE 3.45Å; D231-I276 HydrophobicContact CB-CG1 4.04Å; D231-T306 PolarHBondContact N-O 3.25Å; D231-T306 PolarHBondContact O-N 2.98Å; D231-Q308 HydrophobicContact CB-CG 4.12Å; D231-Q308 PolarHBondContact OD2-NE2 3.11Å |
| 232 | H | 89 | Confident | 84.3 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | trans | -113.8 | 30.2 | 179.1 | 70 | -67.2 | 0 | 0 | 0 | 111.7 | E234 V235 K236 L270 S272 S274 K275 F277 I305 | H232-E234 VanDerWaalsContact C-N 3.26Å; H232-E234 PolarHBondContact O-N 2.85Å; H232-V235 HydrophobicContact CB-CB 4.05Å; H232-V235 HydrophobicContact CB-CG2 4.2Å; H232-V235 WeakPolarHBondContact O-CB 3.37Å; H232-V235 PolarHBondContact O-N 2.61Å; H232-V235 VanDerWaalsContact O-N 3.15Å; H232-K236 PolarHBondContact O-N 2.91Å; H232-L270 HydrophobicContact CB-CD2 4.06Å; H232-S272 PolarHBondContact NE2-O 3.34Å; H232-S274 PolarHBondContact CE1-O 2.81Å; H232-K275 PolarHBondContact N-O 3.01Å; H232-K275 PolarHBondContact ND1-O 3.48Å; H232-F277 HydrophobicContact CB-CE1 4.16Å; H232-F277 AromaticContact CE1-CD1 3.62Å; H232-F277 AromaticContact CE1-CE1 3.98Å; H232-F277 AromaticContact CG-CE1 3.86Å; H232-F277 AromaticContact ND1-CD1 3.35Å; H232-F277 WeakPolarHBondContact ND1-CD1 3.26Å; H232-F277 AromaticContact ND1-CE1 3.44Å; H232-F277 WeakPolarHBondContact ND1-CE1 3.48Å; H232-I305 HydrophobicContact CB-CG2 4.49Å | ||
| 233 | N | 84.1 | Confident | 83.3 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 24% | 0.241 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.8 | -36.7 | 179.3 | -180 | 51.6 | 0 | 0 | 0 | 113.3 | D231 K236 R237 K275 | D231-N233 WeakPolarHBondContact OD1-CB 2.96Å; D231-N233 PolarHBondContact OD1-N 2.87Å; N233-K236 PolarHBondContact O-N 3.48Å; N233-R237 PolarHBondContact ND2-NH2 3.07Å; N233-R237 WeakPolarHBondContact O-CG 3.28Å; N233-R237 PolarHBondContact O-N 3.43Å; N233-K275 HydrophobicContact CB-CG 4.3Å |
| 234 | E | 77.9 | Confident | 82.2 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 176.2 | -63.1 | -165.2 | 152.8 | 0 | 0 | 111.8 | H232 K236 R237 S238 S304 | H232-E234 VanDerWaalsContact C-N 3.26Å; H232-E234 PolarHBondContact O-N 2.85Å; E234-K236 VanDerWaalsContact C-N 3.27Å; E234-K236 PolarHBondContact O-N 3.04Å; E234-R237 WeakPolarHBondContact O-CB 3.25Å; E234-R237 PolarHBondContact O-N 2.86Å; E234-R237 VanDerWaalsContact O-N 3.08Å; E234-S238 PolarHBondContact O-N 2.85Å; E234-S238 PolarHBondContact O-OG 2.86Å; E234-S304 WeakPolarHBondContact OE2-CB 3.25Å; E234-S304 PolarHBondContact OE2-OG 3.41Å |
| 235 | V | 75.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.3 | -39.9 | 174.5 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | H232 S238 K239 L242 L270 A303 I305 | H232-V235 HydrophobicContact CB-CB 4.05Å; H232-V235 HydrophobicContact CB-CG2 4.2Å; H232-V235 WeakPolarHBondContact O-CB 3.37Å; H232-V235 PolarHBondContact O-N 2.61Å; H232-V235 VanDerWaalsContact O-N 3.15Å; V235-S238 WeakPolarHBondContact CA-OG 3.43Å; V235-S238 CarbonylContact O-C 3.25Å; V235-S238 VanDerWaalsContact O-C 3.25Å; V235-S238 PolarHBondContact O-N 3.12Å; V235-S238 PolarHBondContact O-OG 2.87Å; V235-S238 VanDerWaalsContact O-OG 3.12Å; V235-K239 PolarHBondContact O-N 3.35Å; V235-L242 HydrophobicContact CG1-CD1 3.74Å; V235-L242 HydrophobicContact CG1-CD2 3.15Å; V235-L242 HydrophobicContact CG1-CG 3.63Å; V235-L270 HydrophobicContact CG1-CB 4.17Å; V235-L270 HydrophobicContact CG1-CD1 4.03Å; V235-L270 HydrophobicContact CG2-CD1 4.1Å; V235-A303 HydrophobicContact CG2-CB 3.8Å; V235-I305 HydrophobicContact CG2-CG2 3.93Å |
| 236 | K | 74.4 | Confident | 80.9 | Confident | 82 Ų | 82 | 71.2 Ų | 71.2 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.3 | -36.4 | 175.6 | -174.9 | 175.6 | -179.9 | 170.7 | 0 | 112.7 | H232 N233 E234 K239 N273 | H232-K236 PolarHBondContact O-N 2.91Å; N233-K236 PolarHBondContact O-N 3.48Å; E234-K236 VanDerWaalsContact C-N 3.27Å; E234-K236 PolarHBondContact O-N 3.04Å; K236-K239 WeakPolarHBondContact O-CB 3.42Å; K236-K239 WeakPolarHBondContact O-CG 3.25Å; K236-K239 PolarHBondContact O-N 2.83Å; K236-N273 PolarHBondContact NZ-O 2.87Å |
| 237 | R | 75.9 | Confident | 80.7 | Confident | 192 Ų | 192 | 73.1 Ų | 73.1 | 73% | 0.725 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68 | -38.5 | 174 | -71.1 | 177 | -176.4 | 163.1 | -1.1 | 111 | N233 E234 K239 | N233-R237 PolarHBondContact ND2-NH2 3.07Å; N233-R237 WeakPolarHBondContact O-CG 3.28Å; N233-R237 PolarHBondContact O-N 3.43Å; E234-R237 WeakPolarHBondContact O-CB 3.25Å; E234-R237 PolarHBondContact O-N 2.86Å; E234-R237 VanDerWaalsContact O-N 3.08Å; R237-K239 PolarHBondContact O-N 3.2Å |
| 238 | S | 70.5 | Confident | 80.6 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 35.7 | 174.2 | 66.4 | 0 | 0 | 0 | 0 | 112.7 | E234 V235 S240 Q241 L242 | E234-S238 PolarHBondContact O-N 2.85Å; E234-S238 PolarHBondContact O-OG 2.86Å; V235-S238 WeakPolarHBondContact CA-OG 3.43Å; V235-S238 CarbonylContact O-C 3.25Å; V235-S238 VanDerWaalsContact O-C 3.25Å; V235-S238 PolarHBondContact O-N 3.12Å; V235-S238 PolarHBondContact O-OG 2.87Å; V235-S238 VanDerWaalsContact O-OG 3.12Å; S238-S240 PolarHBondContact O-N 3.02Å; S238-Q241 WeakPolarHBondContact O-CA 3.34Å; S238-Q241 WeakPolarHBondContact O-CB 3.49Å; S238-Q241 PolarHBondContact O-N 3.34Å; S238-L242 PolarHBondContact O-N 3.42Å |
| 239 | K | 67.5 | Low | 80.5 | Confident | 128 Ų | 128 | 75.2 Ų | 75.2 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -28.4 | -178.8 | -109.4 | -176.3 | -178.6 | -166.1 | 0 | 113.8 | V235 K236 R237 Q241 L242 | V235-K239 PolarHBondContact O-N 3.35Å; K236-K239 WeakPolarHBondContact O-CB 3.42Å; K236-K239 WeakPolarHBondContact O-CG 3.25Å; K236-K239 PolarHBondContact O-N 2.83Å; R237-K239 PolarHBondContact O-N 3.2Å; K239-Q241 VanDerWaalsContact C-N 3.28Å; K239-Q241 PolarHBondContact O-N 3.08Å; K239-L242 HydrophobicContact CG-CD1 4.3Å |
| 240 | S | 64.6 | Low | 80.6 | Confident | 122 Ų | 122 | 72.8 Ų | 72.8 | 85% | 0.853 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -16.2 | 176.4 | 112.2 | 0 | 0 | 0 | 0 | 114.1 | S238 | S238-S240 PolarHBondContact O-N 3.02Š|
| 241 | Q | 64.8 | Low | 80.7 | Confident | 125 Ų | 125 | 73.3 Ų | 73.3 | 58% | 0.584 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -9.7 | 179.5 | -62.9 | -173.1 | -6.2 | 0 | 0 | 112.9 | S238 K239 K243 | S238-Q241 WeakPolarHBondContact O-CA 3.34Å; S238-Q241 WeakPolarHBondContact O-CB 3.49Å; S238-Q241 PolarHBondContact O-N 3.34Å; K239-Q241 VanDerWaalsContact C-N 3.28Å; K239-Q241 PolarHBondContact O-N 3.08Å; Q241-K243 PolarHBondContact O-N 3.13Å |
| 242 | L | 69.7 | Low | 80.9 | Confident | 51 Ų | 51 | 72.4 Ų | 72.4 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | trans | -67.4 | 118.6 | 177 | -86 | 175.9 | 0 | 0 | 0 | 110.5 | V235 S238 K239 D246 L270 | V235-L242 HydrophobicContact CG1-CD1 3.74Å; V235-L242 HydrophobicContact CG1-CD2 3.15Å; V235-L242 HydrophobicContact CG1-CG 3.63Å; S238-L242 PolarHBondContact O-N 3.42Å; K239-L242 HydrophobicContact CG-CD1 4.3Å; L242-D246 WeakPolarHBondContact CA-OD2 3.36Å; L242-D246 HydrophobicContact CD2-CB 4Å; L242-D246 WeakPolarHBondContact CD2-OD2 3.12Å; L242-L270 HydrophobicContact CD2-CB 4.26Å | ||
| 243 | K | 75.1 | Confident | 81.2 | Confident | 152 Ų | 152 | 72.3 Ų | 72.3 | 66% | 0.661 | 35% | 0.353 | S | S | * | . | trans | -90.5 | 151 | 172.7 | -61.5 | -178.5 | -179.3 | -178.7 | 0 | 109.3 | Q241 R245 D246 | Q241-K243 PolarHBondContact O-N 3.13Å; K243-R245 PolarHBondContact O-N 3.03Å; K243-D246 PolarHBondContact N-OD2 2.93Å; K243-D246 WeakPolarHBondContact O-CB 3.32Å; K243-D246 PolarHBondContact O-N 2.95Å | ||
| 244 | A | 71.7 | Confident | 81.8 | Confident | 118 Ų | 118 | 70.8 Ų | 70.8 | 98% | 0.975 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -6.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 245 | R | 78.1 | Confident | 82.5 | Confident | 224 Ų | 224 | 70.4 Ų | 70.4 | 85% | 0.845 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 3.6 | 176.6 | -63.6 | -170.3 | 176.8 | -178.7 | -0.8 | 113.4 | K243 N247 | K243-R245 PolarHBondContact O-N 3.03Å; R245-N247 PolarHBondContact O-N 3.4Å; R245-N247 VanDerWaalsContact O-N 3.12Å; R245-N247 PolarHBondContact O-OD1 2.96Å |
| 246 | D | 88.3 | Confident | 83.3 | Confident | 21 Ų | 21 | 72.7 Ų | 72.7 | 11% | 0.112 | 36% | 0.359 | C | S | . | . | trans | -71.4 | 110.1 | 178.2 | -72.1 | -5.6 | 0 | 0 | 0 | 109 | L242 K243 L270 A301 | L242-D246 WeakPolarHBondContact CA-OD2 3.36Å; L242-D246 HydrophobicContact CD2-CB 4Å; L242-D246 WeakPolarHBondContact CD2-OD2 3.12Å; K243-D246 PolarHBondContact N-OD2 2.93Å; K243-D246 WeakPolarHBondContact O-CB 3.32Å; K243-D246 PolarHBondContact O-N 2.95Å; D246-L270 PolarHBondContact O-N 3.21Å; D246-A301 HydrophobicContact CB-CB 3.96Å | ||
| 247 | N | 91.9 | Very high | 84.2 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 21% | 0.214 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 157.8 | 179.3 | 60.8 | -10.4 | 0 | 0 | 0 | 110.7 | R245 I267 V268 A300 | R245-N247 PolarHBondContact O-N 3.4Å; R245-N247 VanDerWaalsContact O-N 3.12Å; R245-N247 PolarHBondContact O-OD1 2.96Å; N247-I267 HydrophobicContact CB-CG2 3.93Å; N247-I267 VanDerWaalsContact ND2-CG2 3.34Å; N247-I267 WeakPolarHBondContact ND2-CG2 3.26Å; N247-V268 CarbonylContact C-O 3.55Å; N247-V268 VanDerWaalsContact CA-O 3.27Å; N247-V268 WeakPolarHBondContact CA-O 3.32Å; N247-V268 WeakPolarHBondContact CB-O 3.27Å; N247-A300 WeakPolarHBondContact O-CB 3.37Å; N247-A300 PolarHBondContact O-N 3.05Å; N247-A300 VanDerWaalsContact O-N 3.11Å; N247-A300 VanDerWaalsContact OD1-CB 3.25Å; N247-A300 WeakPolarHBondContact OD1-CB 3.44Å |
| 248 | V | 94 | Very high | 84.9 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.4 | 169.7 | 179.9 | 0 | 0 | 0 | 0 | 107.1 | I230 V268 L270 V297 D298 I305 | I230-V248 HydrophobicContact CD1-CG1 3.92Å; V248-V268 PolarHBondContact N-O 2.86Å; V248-V268 PolarHBondContact O-N 2.98Å; V248-L270 HydrophobicContact CG2-CD1 3.85Å; V248-L270 HydrophobicContact CG2-CD2 3.66Å; V248-L270 HydrophobicContact CG2-CG 3.84Å; V248-V297 HydrophobicContact CG1-CG1 3.75Å; V248-D298 WeakPolarHBondContact CA-O 3.35Å; V248-I305 HydrophobicContact CB-CD1 4.34Å; V248-I305 HydrophobicContact CG1-CD1 3.67Å; V248-I305 HydrophobicContact CG2-CD1 3.67Å |
| 249 | R | 95 | Very high | 85.6 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 32% | 0.321 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.3 | 175.9 | -49.2 | -177.4 | -99.7 | -152.7 | -6.9 | 108.8 | L251 M266 I267 V297 D298 | R249-L251 HydrophobicContact CB-CD1 3.93Å; R249-L251 HydrophobicContact CB-CG 4.42Å; R249-M266 WeakPolarHBondContact CA-O 3.41Å; R249-I267 HydrophobicContact CG-CB 4.33Å; R249-I267 HydrophobicContact CG-CD1 4.4Å; R249-I267 HydrophobicContact CG-CG1 3.87Å; R249-I267 HydrophobicContact CG-CG2 4.11Å; R249-V297 WeakPolarHBondContact O-CA 3.37Å; R249-D298 HydrophobicContact CB-CB 4.09Å; R249-D298 IonicContact CZ-OD2 2.71Å; R249-D298 PolarHBondContact N-O 2.76Å; R249-D298 IonicContact NE-OD2 3.52Å; R249-D298 PolarHBondContact NE-OD2 2.84Å; R249-D298 IonicContact NH2-OD2 2.77Å; R249-D298 PolarHBondContact NH2-OD2 3.25Å; R249-D298 PolarHBondContact O-N 2.92Å |
| 250 | V | 96.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.7 | 170.7 | -177 | 0 | 0 | 0 | 0 | 106.5 | V228 I230 M266 V279 V281 I295 V297 | V228-V250 HydrophobicContact CB-CG1 4.41Å; V228-V250 HydrophobicContact CB-CG2 4.35Å; V228-V250 HydrophobicContact CG2-CG1 3.68Å; V228-V250 HydrophobicContact CG2-CG2 4.48Å; I230-V250 HydrophobicContact CD1-CG2 4.36Å; V250-M266 PolarHBondContact N-O 2.81Å; V250-M266 PolarHBondContact O-N 3.4Å; V250-V279 HydrophobicContact CB-CG1 4.08Å; V250-V279 HydrophobicContact CG2-CB 3.95Å; V250-V279 HydrophobicContact CG2-CG1 3.76Å; V250-V279 HydrophobicContact CG2-CG2 4.34Å; V250-V281 HydrophobicContact CB-CG2 3.7Å; V250-V281 HydrophobicContact CG1-CG2 3.64Å; V250-V281 WeakPolarHBondContact O-CG2 3.39Å; V250-I295 HydrophobicContact CG1-CG2 4Å; V250-V297 HydrophobicContact CG1-CG2 4.43Å; V250-V297 HydrophobicContact CG2-CG2 4.3Å |
| 251 | L | 96.4 | Very high | 87.1 | Confident | 11 Ų | 11 | 79.7 Ų | 79.7 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145 | -174.2 | -49.8 | 103.7 | 0 | 0 | 0 | 110.5 | L186 R249 C253 C258 L264 E265 I295 Y296 D298 | L186-L251 HydrophobicContact CD1-CD1 4.39Å; R249-L251 HydrophobicContact CB-CD1 3.93Å; R249-L251 HydrophobicContact CB-CG 4.42Å; L251-C253 VanDerWaalsContact CB-SG 3.57Å; L251-C258 HydrophobicContact CD2-CB 4.12Å; L251-L264 CarbonylContact C-O 3.55Å; L251-L264 WeakPolarHBondContact CA-O 3.41Å; L251-E265 HydrophobicContact CD2-CB 3.95Å; L251-E265 HydrophobicContact CG-CB 4.34Å; L251-I295 CarbonylContact O-C 3.58Å; L251-I295 VanDerWaalsContact O-CA 3.31Å; L251-I295 WeakPolarHBondContact O-CA 3.49Å; L251-Y296 PolarHBondContact N-O 3.48Å; L251-Y296 PolarHBondContact O-N 3.15Å; L251-D298 HydrophobicContact CD1-CB 4.13Å |
| 252 | I | 96.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 113.7 | 167.6 | -56.1 | 176.6 | 0 | 0 | 0 | 105.9 | F224 A226 S263 L264 V281 L285 S294 I295 F313 | F224-I252 HydrophobicContact CB-CD1 3.9Å; F224-I252 HydrophobicContact CB-CG2 4.39Å; F224-I252 HydrophobicContact CG-CG2 4.38Å; A226-I252 HydrophobicContact CB-CD1 3.98Å; I252-S263 CarbonylContact O-C 3.41Å; I252-S263 WeakPolarHBondContact O-CA 3.2Å; I252-S263 VanDerWaalsContact O-CB 3.29Å; I252-S263 WeakPolarHBondContact O-CB 3.06Å; I252-L264 HydrophobicContact CB-CB 4.25Å; I252-L264 HydrophobicContact CD1-CD1 4.31Å; I252-L264 PolarHBondContact N-O 3.15Å; I252-L264 PolarHBondContact O-N 3.33Å; I252-V281 HydrophobicContact CD1-CB 4.29Å; I252-V281 HydrophobicContact CD1-CG1 3.96Å; I252-V281 HydrophobicContact CG1-CG1 4.11Å; I252-L285 HydrophobicContact CG2-CD1 4.2Å; I252-S294 WeakPolarHBondContact CA-O 3.28Å; I252-I295 HydrophobicContact CG1-CG1 4.26Å; I252-F313 HydrophobicContact CD1-CE2 4.33Å; I252-F313 HydrophobicContact CG2-CE2 4.49Å |
| 253 | C | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143 | -168.2 | -46.4 | 0 | 0 | 0 | 0 | 111.8 | L251 C258 T293 S294 Y296 | L251-C253 VanDerWaalsContact CB-SG 3.57Å; C253-C258 HydrophobicContact CB-CB 4.02Å; C253-C258 WeakPolarHBondContact CB-SG 3.43Å; C253-C258 WeakPolarHBondContact SG-CA 3.27Å; C253-C258 WeakPolarHBondContact SG-CB 3.21Å; C253-C258 CovalentContact SG-SG 2.03Å; C253-C258 PolarHBondContact SG-SG 2.97Å; C253-T293 VanDerWaalsContact O-CA 3.25Å; C253-T293 WeakPolarHBondContact O-CA 3.42Å; C253-S294 PolarHBondContact N-O 3.29Å; C253-S294 PolarHBondContact O-N 3.12Å; C253-Y296 HydrophobicContact CB-CD2 3.84Å; C253-Y296 HydrophobicContact CB-CE2 3.91Å |
| 254 | I | 96 | Very high | 90.5 | Very high | 13 Ų | 13 | 68.4 Ų | 68.4 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 128.5 | 171.9 | -54.3 | 174.9 | 0 | 0 | 0 | 108.4 | S256 L257 T262 L285 L287 Q291 Y292 T293 | I254-S256 PolarHBondContact O-N 2.94Å; I254-S256 VanDerWaalsContact O-N 3.07Å; I254-L257 WeakPolarHBondContact O-CA 3.38Å; I254-L257 WeakPolarHBondContact O-CB 3.39Å; I254-L257 PolarHBondContact O-N 3.48Å; I254-T262 WeakPolarHBondContact CG1-O 3.16Å; I254-T262 PolarHBondContact N-O 3.11Å; I254-L285 HydrophobicContact CD1-CD2 4.42Å; I254-L285 HydrophobicContact CG1-CD1 4.3Å; I254-L287 HydrophobicContact CB-CD2 4.45Å; I254-L287 HydrophobicContact CD1-CD2 3.64Å; I254-L287 HydrophobicContact CG1-CD2 3.61Å; I254-L287 HydrophobicContact CG2-CD2 4.09Å; I254-Q291 HydrophobicContact CG2-CB 4.14Å; I254-Y292 CarbonylContact C-O 3.56Å; I254-Y292 WeakPolarHBondContact CA-O 3.34Å; I254-T293 HydrophobicContact CG1-CG2 3.97Å |
| 255 | E | 94.3 | Very high | 91.6 | Very high | 85 Ų | 85 | 68.6 Ų | 68.6 | 40% | 0.397 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 34 | 175.9 | -66.4 | -179 | 165.1 | 0 | 0 | 114.3 | L257 Y292 | E255-L257 PolarHBondContact O-N 3.41Å; E255-L257 VanDerWaalsContact O-N 3.08Å; E255-Y292 HydrophobicContact CB-CE1 4.28Å; E255-Y292 HydrophobicContact CG-CD1 4.24Å; E255-Y292 HydrophobicContact CG-CE1 4.16Å; E255-Y292 PolarHBondContact N-O 3.24Å |
| 256 | S | 92.6 | Very high | 92.4 | Very high | 49 Ų | 49 | 62 Ų | 62 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 8.9 | -173.6 | -48.7 | 0 | 0 | 0 | 0 | 114.8 | I254 C258 Y292 Y296 | I254-S256 PolarHBondContact O-N 2.94Å; I254-S256 VanDerWaalsContact O-N 3.07Å; S256-C258 PolarHBondContact O-N 3.44Å; S256-Y292 PolarHBondContact OG-OH 3.23Å; S256-Y296 WeakPolarHBondContact CB-OH 3.17Å; S256-Y296 PolarHBondContact OG-OH 3.13Å |
| 257 | L | 92.4 | Very high | 92.7 | Very high | 91 Ų | 91 | 64.7 Ų | 64.7 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -87.8 | 88 | 176.7 | -60.8 | 174 | 0 | 0 | 0 | 110.2 | I254 E255 H259 T262 | I254-L257 WeakPolarHBondContact O-CA 3.38Å; I254-L257 WeakPolarHBondContact O-CB 3.39Å; I254-L257 PolarHBondContact O-N 3.48Å; E255-L257 PolarHBondContact O-N 3.41Å; E255-L257 VanDerWaalsContact O-N 3.08Å; L257-H259 PolarHBondContact O-N 3.32Å; L257-T262 PolarHBondContact O-OG1 2.56Å |
| 258 | C | 90.3 | Very high | 92.7 | Very high | 26 Ų | 26 | 64.4 Ų | 64.4 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | trans | -84.4 | 49.2 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 113.7 | L251 C253 S256 | L251-C258 HydrophobicContact CD2-CB 4.12Å; C253-C258 HydrophobicContact CB-CB 4.02Å; C253-C258 WeakPolarHBondContact CB-SG 3.43Å; C253-C258 WeakPolarHBondContact SG-CA 3.27Å; C253-C258 WeakPolarHBondContact SG-CB 3.21Å; C253-C258 CovalentContact SG-SG 2.03Å; C253-C258 PolarHBondContact SG-SG 2.97Å; S256-C258 PolarHBondContact O-N 3.44Å | ||
| 259 | H | 84.9 | Confident | 92.5 | Very high | 140 Ų | 140 | 65.9 Ų | 65.9 | 65% | 0.648 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -123.3 | 170.1 | -176.3 | -60.9 | 65.2 | 0 | 0 | 0 | 110.3 | L257 Y261 T262 S263 | L257-H259 PolarHBondContact O-N 3.32Å; H259-Y261 PolarHBondContact O-N 3.23Å; H259-T262 PolarHBondContact O-N 2.78Å; H259-T262 PolarHBondContact O-OG1 3.48Å; H259-S263 PolarHBondContact O-OG 3.3Å |
| 260 | R | 79.8 | Confident | 92 | Very high | 223 Ų | 223 | 62.1 Ų | 62.1 | 84% | 0.842 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43 | 131.9 | -171.4 | -63.3 | -177.6 | -165.7 | 171.6 | 5 | 112.9 | T262 | R260-T262 PolarHBondContact O-N 3.43Å; R260-T262 VanDerWaalsContact O-N 3.16Å |
| 261 | Y | 84 | Confident | 91.2 | Very high | 219 Ų | 219 | 70.3 Ų | 70.3 | 86% | 0.859 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | -10.1 | 179.5 | -47.2 | -73.9 | 0 | 0 | 0 | 116.8 | H259 | H259-Y261 PolarHBondContact O-N 3.23Š|
| 262 | T | 91.2 | Very high | 90.2 | Very high | 46 Ų | 46 | 71.9 Ų | 71.9 | 28% | 0.282 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -106.7 | 10.2 | 175.9 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | I254 L257 H259 R260 | I254-T262 WeakPolarHBondContact CG1-O 3.16Å; I254-T262 PolarHBondContact N-O 3.11Å; L257-T262 PolarHBondContact O-OG1 2.56Å; H259-T262 PolarHBondContact O-N 2.78Å; H259-T262 PolarHBondContact O-OG1 3.48Å; R260-T262 PolarHBondContact O-N 3.43Å; R260-T262 VanDerWaalsContact O-N 3.16Å |
| 263 | S | 94.6 | Very high | 89.1 | Confident | 19 Ų | 19 | 77.9 Ų | 77.9 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 151.6 | 177.5 | 61 | 0 | 0 | 0 | 0 | 113.8 | I252 H259 | I252-S263 CarbonylContact O-C 3.41Å; I252-S263 WeakPolarHBondContact O-CA 3.2Å; I252-S263 VanDerWaalsContact O-CB 3.29Å; I252-S263 WeakPolarHBondContact O-CB 3.06Å; H259-S263 PolarHBondContact O-OG 3.3Å |
| 264 | L | 95.3 | Very high | 88.5 | Confident | 27 Ų | 27 | 80.1 Ų | 80.1 | 14% | 0.141 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 137.5 | 162.4 | -56.9 | 172.9 | 0 | 0 | 0 | 108.4 | F224 L251 I252 V281 L285 | F224-L264 HydrophobicContact CB-CD1 4.2Å; L251-L264 CarbonylContact C-O 3.55Å; L251-L264 WeakPolarHBondContact CA-O 3.41Å; I252-L264 HydrophobicContact CB-CB 4.25Å; I252-L264 HydrophobicContact CD1-CD1 4.31Å; I252-L264 PolarHBondContact N-O 3.15Å; I252-L264 PolarHBondContact O-N 3.33Å; L264-V281 HydrophobicContact CB-CG1 3.71Å; L264-L285 HydrophobicContact CD1-CD1 4.19Å; L264-L285 HydrophobicContact CD1-CG 4.09Å; L264-L285 HydrophobicContact CD2-CD2 4.09Å; L264-L285 HydrophobicContact CD2-CG 4.28Å; L264-L285 HydrophobicContact CG-CD1 4.03Å; L264-L285 HydrophobicContact CG-CD2 4Å; L264-L285 HydrophobicContact CG-CG 3.87Å |
| 265 | E | 94.9 | Very high | 88 | Confident | 122 Ų | 122 | 85.1 Ų | 85.1 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 143.3 | -179.2 | 64.9 | 178.2 | -177.8 | 0 | 0 | 111.8 | L251 | L251-E265 HydrophobicContact CD2-CB 3.95Å; L251-E265 HydrophobicContact CG-CB 4.34Å |
| 266 | M | 95.1 | Very high | 87.8 | Confident | 84 Ų | 84 | 84.6 Ų | 84.6 | 41% | 0.414 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.3 | 165 | -176.9 | 61 | -166.1 | 0 | 0 | 109.1 | R249 V250 V268 V279 V281 | R249-M266 WeakPolarHBondContact CA-O 3.41Å; V250-M266 PolarHBondContact N-O 2.81Å; V250-M266 PolarHBondContact O-N 3.4Å; M266-V268 HydrophobicContact CE-CG2 4.01Å; M266-V268 HydrophobicContact CG-CG2 4.02Å; M266-V279 HydrophobicContact CB-CG1 3.99Å; M266-V279 HydrophobicContact CG-CG1 3.68Å; M266-V281 HydrophobicContact CB-CG2 3.58Å |
| 267 | I | 93.9 | Very high | 87.7 | Confident | 79 Ų | 79 | 83.2 Ų | 83.2 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.3 | -179.5 | -51.7 | -174.7 | 0 | 0 | 0 | 108.6 | N247 R249 | N247-I267 HydrophobicContact CB-CG2 3.93Å; N247-I267 VanDerWaalsContact ND2-CG2 3.34Å; N247-I267 WeakPolarHBondContact ND2-CG2 3.26Å; R249-I267 HydrophobicContact CG-CB 4.33Å; R249-I267 HydrophobicContact CG-CD1 4.4Å; R249-I267 HydrophobicContact CG-CG1 3.87Å; R249-I267 HydrophobicContact CG-CG2 4.11Å |
| 268 | V | 92.4 | Very high | 87.8 | Confident | 33 Ų | 33 | 82.6 Ų | 82.6 | 20% | 0.2 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136.6 | -179.2 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | N247 V248 M266 F277 V279 | N247-V268 CarbonylContact C-O 3.55Å; N247-V268 VanDerWaalsContact CA-O 3.27Å; N247-V268 WeakPolarHBondContact CA-O 3.32Å; N247-V268 WeakPolarHBondContact CB-O 3.27Å; V248-V268 PolarHBondContact N-O 2.86Å; V248-V268 PolarHBondContact O-N 2.98Å; M266-V268 HydrophobicContact CE-CG2 4.01Å; M266-V268 HydrophobicContact CG-CG2 4.02Å; V268-F277 HydrophobicContact CB-CE2 4.33Å; V268-F277 HydrophobicContact CG1-CD2 4.16Å; V268-F277 HydrophobicContact CG1-CE2 3.72Å; V268-V279 HydrophobicContact CB-CG2 4.13Å; V268-V279 HydrophobicContact CG1-CG2 4.44Å; V268-V279 HydrophobicContact CG2-CB 4.26Å; V268-V279 HydrophobicContact CG2-CG1 3.64Å; V268-V279 HydrophobicContact CG2-CG2 3.7Å |
| 269 | G | 90 | Very high | 88.1 | Confident | 32 Ų | 32 | 81.5 Ų | 81.5 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 148.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E271 | G269-E271 PolarHBondContact O-N 2.94Å |
| 270 | L | 84.8 | Confident | 88.6 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -86.2 | 19.5 | -179.4 | -70.3 | 178.2 | 0 | 0 | 0 | 114.8 | H232 V235 L242 D246 V248 S272 F277 A301 I305 | H232-L270 HydrophobicContact CB-CD2 4.06Å; V235-L270 HydrophobicContact CG1-CB 4.17Å; V235-L270 HydrophobicContact CG1-CD1 4.03Å; V235-L270 HydrophobicContact CG2-CD1 4.1Å; L242-L270 HydrophobicContact CD2-CB 4.26Å; D246-L270 PolarHBondContact O-N 3.21Å; V248-L270 HydrophobicContact CG2-CD1 3.85Å; V248-L270 HydrophobicContact CG2-CD2 3.66Å; V248-L270 HydrophobicContact CG2-CG 3.84Å; L270-S272 PolarHBondContact O-N 3.4Å; L270-F277 HydrophobicContact CD2-CE1 3.75Å; L270-F277 HydrophobicContact CD2-CZ 3.6Å; L270-A301 HydrophobicContact CD1-CB 3.26Å; L270-I305 HydrophobicContact CD1-CG2 4.28Å |
| 271 | E | 78.8 | Confident | 89.4 | Confident | 172 Ų | 172 | 67.4 Ų | 67.4 | 80% | 0.804 | 35% | 0.348 | S | S | * | . | trans | -81.7 | 2.9 | -178.1 | 60.1 | -173.1 | 170.6 | 0 | 0 | 114.3 | G269 N273 | G269-E271 PolarHBondContact O-N 2.94Å; E271-N273 PolarHBondContact O-N 3.29Å | ||
| 272 | S | 75.9 | Confident | 90 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | trans | -60.9 | 137.1 | 179.3 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | H232 L270 S274 | H232-S272 PolarHBondContact NE2-O 3.34Å; L270-S272 PolarHBondContact O-N 3.4Å; S272-S274 VanDerWaalsContact C-N 3.35Å; S272-S274 PolarHBondContact OG-N 3.15Å; S272-S274 PolarHBondContact OG-OG 3.37Å | ||
| 273 | N | 74.9 | Confident | 90.2 | Very high | 126 Ų | 126 | 62.1 Ų | 62.1 | 67% | 0.674 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -78.9 | -19.4 | 174.7 | -74.1 | -59.1 | 0 | 0 | 0 | 113.3 | K236 E271 | K236-N273 PolarHBondContact NZ-O 2.87Å; E271-N273 PolarHBondContact O-N 3.29Å |
| 274 | S | 82.6 | Confident | 90.2 | Very high | 47 Ų | 47 | 66 Ų | 66 | 33% | 0.329 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -65.5 | 158.5 | 176.9 | 68 | 0 | 0 | 0 | 0 | 110.6 | H232 S272 I276 | H232-S274 PolarHBondContact CE1-O 2.81Å; S272-S274 VanDerWaalsContact C-N 3.35Å; S272-S274 PolarHBondContact OG-N 3.15Å; S272-S274 PolarHBondContact OG-OG 3.37Å; S274-I276 VanDerWaalsContact CB-O 3.28Å; S274-I276 WeakPolarHBondContact CB-O 3.38Å; S274-I276 PolarHBondContact OG-O 2.87Å |
| 275 | K | 84.4 | Confident | 90.2 | Very high | 119 Ų | 119 | 65.2 Ų | 65.2 | 52% | 0.517 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -75.1 | -39.8 | 171.9 | -175 | -172.8 | 172.3 | -169.2 | 0 | 110.9 | D231 H232 N233 | D231-K275 WeakPolarHBondContact OD2-CE 3.45Å; H232-K275 PolarHBondContact N-O 3.01Å; H232-K275 PolarHBondContact ND1-O 3.48Å; N233-K275 HydrophobicContact CB-CG 4.3Å |
| 276 | I | 90.3 | Very high | 90.2 | Very high | 73 Ų | 73 | 66 Ų | 66 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.9 | 179.4 | -58.2 | 168.8 | 0 | 0 | 0 | 106.9 | H229 I230 D231 S274 Q308 | H229-I276 HydrophobicContact CB-CG2 4.23Å; I230-I276 VanDerWaalsContact O-CA 3.28Å; I230-I276 WeakPolarHBondContact O-CA 3.15Å; D231-I276 HydrophobicContact CB-CG1 4.04Å; S274-I276 VanDerWaalsContact CB-O 3.28Å; S274-I276 WeakPolarHBondContact CB-O 3.38Å; S274-I276 PolarHBondContact OG-O 2.87Å; I276-Q308 HydrophobicContact CD1-CG 4.19Å |
| 277 | F | 92.3 | Very high | 90.2 | Very high | 21 Ų | 21 | 62 Ų | 62 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 160.3 | 170.1 | 67.1 | -82.9 | 0 | 0 | 0 | 109.8 | I230 H232 V268 L270 V279 | I230-F277 HydrophobicContact CB-CD1 4.4Å; I230-F277 HydrophobicContact CB-CE1 3.88Å; I230-F277 HydrophobicContact CB-CE2 4.17Å; I230-F277 HydrophobicContact CB-CZ 3.75Å; I230-F277 HydrophobicContact CD1-CE2 4.04Å; I230-F277 HydrophobicContact CD1-CZ 4.01Å; I230-F277 HydrophobicContact CG1-CZ 4.41Å; I230-F277 HydrophobicContact CG2-CE1 3.86Å; I230-F277 HydrophobicContact CG2-CZ 3.82Å; I230-F277 PolarHBondContact N-O 3.28Å; I230-F277 PolarHBondContact O-N 3Å; H232-F277 HydrophobicContact CB-CE1 4.16Å; H232-F277 AromaticContact CE1-CD1 3.62Å; H232-F277 AromaticContact CE1-CE1 3.98Å; H232-F277 AromaticContact CG-CE1 3.86Å; H232-F277 AromaticContact ND1-CD1 3.35Å; H232-F277 WeakPolarHBondContact ND1-CD1 3.26Å; H232-F277 AromaticContact ND1-CE1 3.44Å; H232-F277 WeakPolarHBondContact ND1-CE1 3.48Å; V268-F277 HydrophobicContact CB-CE2 4.33Å; V268-F277 HydrophobicContact CG1-CD2 4.16Å; V268-F277 HydrophobicContact CG1-CE2 3.72Å; L270-F277 HydrophobicContact CD2-CE1 3.75Å; L270-F277 HydrophobicContact CD2-CZ 3.6Å; F277-V279 HydrophobicContact CD2-CG2 3.93Å; F277-V279 HydrophobicContact CE2-CG2 3.52Å |
| 278 | T | 94.3 | Very high | 90.3 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.6 | -178.1 | -52.6 | 0 | 0 | 0 | 0 | 109.6 | N227 V228 H229 | N227-T278 HydrophobicContact CB-CG2 4.26Å; V228-T278 CarbonylContact O-C 3.6Å; V228-T278 WeakPolarHBondContact O-CA 3.2Å; H229-T278 PolarHBondContact CE1-OG1 3.22Å; H229-T278 WeakPolarHBondContact ND1-CG2 3.46Å; H229-T278 PolarHBondContact ND1-OG1 2.87Å |
| 279 | V | 95.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 124 | 170.5 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | V228 I230 V250 M266 V268 F277 | V228-V279 PolarHBondContact N-O 3.07Å; V228-V279 PolarHBondContact O-N 3.37Å; I230-V279 HydrophobicContact CD1-CG2 3.67Å; I230-V279 HydrophobicContact CG1-CG2 4.45Å; V250-V279 HydrophobicContact CB-CG1 4.08Å; V250-V279 HydrophobicContact CG2-CB 3.95Å; V250-V279 HydrophobicContact CG2-CG1 3.76Å; V250-V279 HydrophobicContact CG2-CG2 4.34Å; M266-V279 HydrophobicContact CB-CG1 3.99Å; M266-V279 HydrophobicContact CG-CG1 3.68Å; V268-V279 HydrophobicContact CB-CG2 4.13Å; V268-V279 HydrophobicContact CG1-CG2 4.44Å; V268-V279 HydrophobicContact CG2-CB 4.26Å; V268-V279 HydrophobicContact CG2-CG1 3.64Å; V268-V279 HydrophobicContact CG2-CG2 3.7Å; F277-V279 HydrophobicContact CD2-CG2 3.93Å; F277-V279 HydrophobicContact CE2-CG2 3.52Å |
| 280 | N | 96.1 | Very high | 90.6 | Very high | 64 Ų | 64 | 67.7 Ų | 67.7 | 34% | 0.342 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124.7 | 173.9 | 178.2 | 33.9 | 0 | 0 | 0 | 109.3 | A226 N227 | A226-N280 WeakPolarHBondContact O-CA 3.48Å; A226-N280 PolarHBondContact O-OD1 2.78Å; N227-N280 PolarHBondContact OD1-OD1 2.97Å |
| 281 | V | 96.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.6 | 168.8 | -176.7 | 0 | 0 | 0 | 0 | 106.9 | S225 A226 V250 I252 L264 M266 | S225-V281 CarbonylContact C-O 3.6Å; S225-V281 VanDerWaalsContact CA-O 3.26Å; S225-V281 WeakPolarHBondContact CA-O 3.33Å; A226-V281 PolarHBondContact N-O 3.35Å; A226-V281 PolarHBondContact O-N 3.08Å; V250-V281 HydrophobicContact CB-CG2 3.7Å; V250-V281 HydrophobicContact CG1-CG2 3.64Å; V250-V281 WeakPolarHBondContact O-CG2 3.39Å; I252-V281 HydrophobicContact CD1-CB 4.29Å; I252-V281 HydrophobicContact CD1-CG1 3.96Å; I252-V281 HydrophobicContact CG1-CG1 4.11Å; L264-V281 HydrophobicContact CB-CG1 3.71Å; M266-V281 HydrophobicContact CB-CG2 3.58Å |
| 282 | Q | 96.1 | Very high | 91.9 | Very high | 133 Ų | 133 | 63.4 Ų | 63.4 | 62% | 0.621 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 145.4 | 176.4 | 66.4 | -179 | 9.6 | 0 | 0 | 110.4 | F224 | F224-Q282 WeakPolarHBondContact O-CA 3.49Å |
| 283 | G | 95.5 | Very high | 92.9 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | -175.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q223 F224 | Q223-G283 WeakPolarHBondContact CA-O 3.34Å; F224-G283 PolarHBondContact N-O 3.27Å; F224-G283 PolarHBondContact O-N 2.84Å |
| 284 | L | 95.3 | Very high | 93.9 | Very high | 101 Ų | 101 | 55.3 Ų | 55.3 | 53% | 0.529 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.1 | 178.5 | -59 | 176.8 | 0 | 0 | 0 | 109.1 | I221 Y222 Q223 L318 | I221-L284 HydrophobicContact CG2-CB 4.22Å; I221-L284 HydrophobicContact CG2-CD1 4.5Å; I221-L284 HydrophobicContact CG2-CD2 4.37Å; Y222-L284 CarbonylContact O-C 3.48Å; Y222-L284 VanDerWaalsContact O-CA 3.31Å; Y222-L284 WeakPolarHBondContact O-CA 3.44Å; Q223-L284 HydrophobicContact CB-CD2 3.64Å; Q223-L284 HydrophobicContact CG-CD2 3.98Å; L284-L318 HydrophobicContact CD2-CD1 3.55Å |
| 285 | L | 95 | Very high | 94.6 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.9 | 171.5 | -69.1 | 175 | 0 | 0 | 0 | 108.6 | Y222 F224 I252 I254 L264 T293 | Y222-L285 PolarHBondContact N-O 3.26Å; Y222-L285 PolarHBondContact O-N 3.21Å; F224-L285 HydrophobicContact CD2-CB 4.08Å; F224-L285 HydrophobicContact CD2-CD1 3.9Å; F224-L285 HydrophobicContact CD2-CG 4.26Å; F224-L285 HydrophobicContact CE2-CB 4.08Å; F224-L285 HydrophobicContact CE2-CD1 4.22Å; I252-L285 HydrophobicContact CG2-CD1 4.2Å; I254-L285 HydrophobicContact CD1-CD2 4.42Å; I254-L285 HydrophobicContact CG1-CD1 4.3Å; L264-L285 HydrophobicContact CD1-CD1 4.19Å; L264-L285 HydrophobicContact CD1-CG 4.09Å; L264-L285 HydrophobicContact CD2-CD2 4.09Å; L264-L285 HydrophobicContact CD2-CG 4.28Å; L264-L285 HydrophobicContact CG-CD1 4.03Å; L264-L285 HydrophobicContact CG-CD2 4Å; L264-L285 HydrophobicContact CG-CG 3.87Å; L285-T293 HydrophobicContact CD1-CG2 4.49Å |
| 286 | E | 94.7 | Very high | 95.1 | Very high | 139 Ų | 139 | 48.2 Ų | 48.2 | 65% | 0.65 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 126.9 | 167.8 | -173.1 | -179.6 | 177.8 | 0 | 0 | 108.2 | G220 | G220-E286 WeakPolarHBondContact O-CA 3.47Å |
| 287 | L | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.6 | 178.3 | -61.6 | 177.7 | 0 | 0 | 0 | 109.8 | F214 A216 T219 G220 Y222 F224 I254 T293 | F214-L287 HydrophobicContact CD1-CD1 4.27Å; F214-L287 HydrophobicContact CE1-CD1 4.11Å; A216-L287 HydrophobicContact CB-CB 3.68Å; A216-L287 HydrophobicContact CB-CD1 3.95Å; A216-L287 HydrophobicContact CB-CG 4.46Å; T219-L287 CarbonylContact C-O 3.57Å; T219-L287 VanDerWaalsContact CA-O 3.25Å; T219-L287 WeakPolarHBondContact CA-O 3.21Å; G220-L287 PolarHBondContact N-O 3.04Å; G220-L287 PolarHBondContact O-N 3.37Å; Y222-L287 HydrophobicContact CD2-CB 3.73Å; Y222-L287 HydrophobicContact CD2-CD1 3.76Å; Y222-L287 HydrophobicContact CD2-CG 3.86Å; Y222-L287 HydrophobicContact CE2-CB 3.81Å; Y222-L287 HydrophobicContact CE2-CD1 4.19Å; Y222-L287 HydrophobicContact CE2-CG 4.37Å; Y222-L287 HydrophobicContact CG-CD1 3.97Å; Y222-L287 HydrophobicContact CG-CG 4.44Å; F224-L287 HydrophobicContact CE2-CD1 3.76Å; F224-L287 HydrophobicContact CE2-CG 4.47Å; F224-L287 HydrophobicContact CZ-CD1 3.6Å; I254-L287 HydrophobicContact CB-CD2 4.45Å; I254-L287 HydrophobicContact CD1-CD2 3.64Å; I254-L287 HydrophobicContact CG1-CD2 3.61Å; I254-L287 HydrophobicContact CG2-CD2 4.09Å; L287-T293 HydrophobicContact CD1-CG2 3.75Å; L287-T293 HydrophobicContact CD2-CG2 3.49Å; L287-T293 VanDerWaalsContact CD2-CG2 3.49Å; L287-T293 HydrophobicContact CG-CG2 4.27Å |
| 288 | Q | 95.5 | Very high | 95.6 | Very high | 119 Ų | 119 | 45 Ų | 45 | 56% | 0.556 | 24% | 0.244 | S | C | * | . | trans | -90 | 157.4 | 168 | -59.2 | 179.9 | 9.6 | 0 | 0 | 110.5 | T219 G290 Q291 | T219-Q288 HydrophobicContact CG2-CG 4.39Å; Q288-G290 PolarHBondContact O-N 2.78Å; Q288-Q291 HydrophobicContact CB-CG 4.02Å; Q288-Q291 WeakPolarHBondContact O-CB 3.49Å; Q288-Q291 PolarHBondContact O-N 3.46Å | ||
| 289 | V | 95.1 | Very high | 95.6 | Very high | 96 Ų | 96 | 41.3 Ų | 41.3 | 58% | 0.582 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | 129 | 175.9 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | Q217 T219 Q291 | Q217-V289 VanDerWaalsContact O-CG2 3.31Å; Q217-V289 WeakPolarHBondContact O-CG2 3.27Å; T219-V289 PolarHBondContact OG1-N 3.15Å; V289-Q291 VanDerWaalsContact C-N 3.31Å; V289-Q291 PolarHBondContact O-N 3.34Å |
| 290 | G | 94.4 | Very high | 95.4 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 50% | 0.495 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -10.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | A216 Q288 | A216-G290 PolarHBondContact O-N 2.92Å; Q288-G290 PolarHBondContact O-N 2.78Å |
| 291 | Q | 95.7 | Very high | 95.1 | Very high | 34 Ų | 34 | 39.7 Ų | 39.7 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | trans | -72 | 140.6 | 172.3 | -64.8 | -168.5 | -52.6 | 0 | 0 | 110.4 | T215 A216 I254 Q288 V289 | T215-Q291 WeakPolarHBondContact CA-O 3.45Å; A216-Q291 PolarHBondContact N-O 2.97Å; I254-Q291 HydrophobicContact CG2-CB 4.14Å; Q288-Q291 HydrophobicContact CB-CG 4.02Å; Q288-Q291 WeakPolarHBondContact O-CB 3.49Å; Q288-Q291 PolarHBondContact O-N 3.46Å; V289-Q291 VanDerWaalsContact C-N 3.31Å; V289-Q291 PolarHBondContact O-N 3.34Å | ||
| 292 | Y | 95.3 | Very high | 94.6 | Very high | 54 Ų | 54 | 40.8 Ų | 40.8 | 21% | 0.212 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 148.4 | 175.8 | 73.6 | -91.9 | 0 | 0 | 0 | 112.3 | R213 F214 I254 E255 S256 | R213-Y292 HydrophobicContact CB-CD2 4.31Å; R213-Y292 HydrophobicContact CG-CD2 4.08Å; F214-Y292 CarbonylContact O-C 3.56Å; F214-Y292 WeakPolarHBondContact O-CA 3.48Å; I254-Y292 CarbonylContact C-O 3.56Å; I254-Y292 WeakPolarHBondContact CA-O 3.34Å; E255-Y292 HydrophobicContact CB-CE1 4.28Å; E255-Y292 HydrophobicContact CG-CD1 4.24Å; E255-Y292 HydrophobicContact CG-CE1 4.16Å; E255-Y292 PolarHBondContact N-O 3.24Å; S256-Y292 PolarHBondContact OG-OH 3.23Å |
| 293 | T | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 146.5 | 169.2 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | R213 F214 F224 C253 I254 L285 L287 | R213-T293 WeakPolarHBondContact CA-O 3.43Å; F214-T293 PolarHBondContact N-O 3.33Å; F214-T293 PolarHBondContact O-N 3.41Å; F224-T293 WeakPolarHBondContact CE1-OG1 3.44Å; F224-T293 HydrophobicContact CE2-CG2 4.27Å; F224-T293 HydrophobicContact CZ-CG2 4.2Å; F224-T293 WeakPolarHBondContact CZ-OG1 3.35Å; C253-T293 VanDerWaalsContact O-CA 3.25Å; C253-T293 WeakPolarHBondContact O-CA 3.42Å; I254-T293 HydrophobicContact CG1-CG2 3.97Å; L285-T293 HydrophobicContact CD1-CG2 4.49Å; L287-T293 HydrophobicContact CD1-CG2 3.75Å; L287-T293 HydrophobicContact CD2-CG2 3.49Å; L287-T293 VanDerWaalsContact CD2-CG2 3.49Å; L287-T293 HydrophobicContact CG-CG2 4.27Å |
| 294 | S | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 164.8 | 172.5 | -164.7 | 0 | 0 | 0 | 0 | 111.3 | E188 G212 I252 C253 Y296 | E188-S294 WeakPolarHBondContact OE1-CB 3.25Å; E188-S294 PolarHBondContact OE1-OG 3.1Å; G212-S294 PolarHBondContact O-OG 3.31Å; I252-S294 WeakPolarHBondContact CA-O 3.28Å; C253-S294 PolarHBondContact N-O 3.29Å; C253-S294 PolarHBondContact O-N 3.12Å; S294-Y296 WeakPolarHBondContact O-CD2 3.36Å |
| 295 | I | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.4 | 175.9 | -59 | 164.3 | 0 | 0 | 0 | 109 | L189 F192 A226 V250 L251 I252 V297 F313 | L189-I295 HydrophobicContact CB-CB 4.36Å; L189-I295 HydrophobicContact CD1-CB 4.15Å; L189-I295 HydrophobicContact CD1-CG2 3.65Å; L189-I295 HydrophobicContact CG-CB 4.26Å; L189-I295 HydrophobicContact CG-CG2 4.02Å; L189-I295 PolarHBondContact N-O 2.94Å; F192-I295 HydrophobicContact CZ-CD1 4.04Å; A226-I295 HydrophobicContact CB-CD1 3.72Å; A226-I295 HydrophobicContact CB-CG1 4.22Å; V250-I295 HydrophobicContact CG1-CG2 4Å; L251-I295 CarbonylContact O-C 3.58Å; L251-I295 VanDerWaalsContact O-CA 3.31Å; L251-I295 WeakPolarHBondContact O-CA 3.49Å; I252-I295 HydrophobicContact CG1-CG1 4.26Å; I295-V297 HydrophobicContact CG2-CG2 4.48Å; I295-F313 HydrophobicContact CD1-CB 3.5Å; I295-F313 VanDerWaalsContact CD1-CB 3.5Å; I295-F313 HydrophobicContact CD1-CD1 3.95Å; I295-F313 HydrophobicContact CD1-CD2 3.43Å; I295-F313 VanDerWaalsContact CD1-CD2 3.43Å; I295-F313 HydrophobicContact CD1-CE2 4.1Å; I295-F313 HydrophobicContact CD1-CG 3.34Å; I295-F313 HydrophobicContact CG1-CD1 4.35Å; I295-F313 HydrophobicContact CG1-CD2 3.83Å; I295-F313 HydrophobicContact CG1-CE1 4.49Å; I295-F313 HydrophobicContact CG1-CE2 3.97Å; I295-F313 HydrophobicContact CG1-CG 4.04Å; I295-F313 HydrophobicContact CG1-CZ 4.3Å |
| 296 | Y | 96 | Very high | 93.9 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143 | 172.3 | -62.6 | -92.3 | 0 | 0 | 0 | 110 | L186 V187 E188 L251 C253 S256 S294 | L186-Y296 HydrophobicContact CG-CD1 4.46Å; V187-Y296 CarbonylContact O-C 3.53Å; V187-Y296 WeakPolarHBondContact O-CA 3.35Å; E188-Y296 HydrophobicContact CB-CD1 3.86Å; E188-Y296 HydrophobicContact CB-CE1 3.53Å; E188-Y296 HydrophobicContact CG-CD1 4.24Å; E188-Y296 HydrophobicContact CG-CE1 3.66Å; E188-Y296 PolarHBondContact OE1-OH 2.94Å; L251-Y296 PolarHBondContact N-O 3.48Å; L251-Y296 PolarHBondContact O-N 3.15Å; C253-Y296 HydrophobicContact CB-CD2 3.84Å; C253-Y296 HydrophobicContact CB-CE2 3.91Å; S256-Y296 WeakPolarHBondContact CB-OH 3.17Å; S256-Y296 PolarHBondContact OG-OH 3.13Å; S294-Y296 WeakPolarHBondContact O-CD2 3.36Å |
| 297 | V | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 116.2 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 109 | V181 L186 V187 L189 V248 R249 V250 I295 I305 I307 | V181-V297 HydrophobicContact CG2-CG1 4.48Å; L186-V297 WeakPolarHBondContact CA-O 3.25Å; V187-V297 PolarHBondContact N-O 2.9Å; V187-V297 PolarHBondContact O-N 2.89Å; L189-V297 HydrophobicContact CD1-CG2 4.07Å; L189-V297 HydrophobicContact CD2-CG2 4.03Å; L189-V297 HydrophobicContact CG-CG2 4.15Å; V248-V297 HydrophobicContact CG1-CG1 3.75Å; R249-V297 WeakPolarHBondContact O-CA 3.37Å; V250-V297 HydrophobicContact CG1-CG2 4.43Å; V250-V297 HydrophobicContact CG2-CG2 4.3Å; I295-V297 HydrophobicContact CG2-CG2 4.48Å; V297-I305 HydrophobicContact CG1-CD1 4.2Å; V297-I307 HydrophobicContact CB-CD1 3.96Å; V297-I307 HydrophobicContact CG1-CD1 4.09Å; V297-I307 HydrophobicContact CG2-CD1 3.56Å |
| 298 | D | 95.5 | Very high | 94 | Very high | 27 Ų | 27 | 27.5 Ų | 27.5 | 14% | 0.144 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 109.5 | 174.7 | -178.8 | 21.1 | 0 | 0 | 0 | 109.2 | L186 V248 R249 L251 | L186-D298 HydrophobicContact CD1-CB 3.67Å; V248-D298 WeakPolarHBondContact CA-O 3.35Å; R249-D298 HydrophobicContact CB-CB 4.09Å; R249-D298 IonicContact CZ-OD2 2.71Å; R249-D298 PolarHBondContact N-O 2.76Å; R249-D298 IonicContact NE-OD2 3.52Å; R249-D298 PolarHBondContact NE-OD2 2.84Å; R249-D298 IonicContact NH2-OD2 2.77Å; R249-D298 PolarHBondContact NH2-OD2 3.25Å; R249-D298 PolarHBondContact O-N 2.92Å; L251-D298 HydrophobicContact CD1-CB 4.13Å |
| 299 | N | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 95.6 | 173.9 | 178.8 | 14.6 | 0 | 0 | 0 | 109.6 | V181 D182 K184 T185 A301 A303 I305 | V181-N299 HydrophobicContact CG1-CB 3.64Å; V181-N299 PolarHBondContact O-ND2 3.19Å; D182-N299 PolarHBondContact O-ND2 2.94Å; K184-N299 CarbonylContact C-O 3.56Å; K184-N299 WeakPolarHBondContact CA-O 3.36Å; K184-N299 PolarHBondContact N-O 2.83Å; T185-N299 PolarHBondContact N-O 2.81Å; T185-N299 PolarHBondContact O-N 2.8Å; N299-A301 PolarHBondContact O-N 3.21Å; N299-A301 WeakPolarHBondContact OD1-CB 3.45Å; N299-A301 PolarHBondContact OD1-N 3.18Å; N299-A303 PolarHBondContact ND2-O 3.47Å; N299-I305 HydrophobicContact CB-CD1 4.02Å; N299-I305 HydrophobicContact CB-CG1 4.31Å |
| 300 | A | 92.1 | Very high | 93.6 | Very high | 31 Ų | 31 | 21.1 Ų | 21.1 | 26% | 0.256 | 14% | 0.143 | S | C | . | . | trans | -83.3 | -0 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N247 | N247-A300 WeakPolarHBondContact O-CB 3.37Å; N247-A300 PolarHBondContact O-N 3.05Å; N247-A300 VanDerWaalsContact O-N 3.11Å; N247-A300 VanDerWaalsContact OD1-CB 3.25Å; N247-A300 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 301 | A | 88.7 | Confident | 93.7 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -76 | 164.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K183 K184 D246 L270 N299 A303 | K183-A301 WeakPolarHBondContact CB-O 3.43Å; K184-A301 PolarHBondContact N-O 2.71Å; D246-A301 HydrophobicContact CB-CB 3.96Å; L270-A301 HydrophobicContact CD1-CB 3.26Å; N299-A301 PolarHBondContact O-N 3.21Å; N299-A301 WeakPolarHBondContact OD1-CB 3.45Å; N299-A301 PolarHBondContact OD1-N 3.18Å; A301-A303 VanDerWaalsContact C-N 3.26Å; A301-A303 PolarHBondContact O-N 2.95Å |
| 302 | G | 85.9 | Confident | 93.6 | Very high | 27 Ų | 27 | 18.2 Ų | 18.2 | 28% | 0.278 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -73.7 | -8.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K183 | K183-G302 VanDerWaalsContact CD-O 3.26Å; K183-G302 WeakPolarHBondContact CD-O 3.1Å |
| 303 | A | 88.2 | Confident | 93.6 | Very high | 15 Ų | 15 | 15.6 Ų | 15.6 | 12% | 0.124 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -134.3 | 160.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V235 N299 A301 | V235-A303 HydrophobicContact CG2-CB 3.8Å; N299-A303 PolarHBondContact ND2-O 3.47Å; A301-A303 VanDerWaalsContact C-N 3.26Å; A301-A303 PolarHBondContact O-N 2.95Å |
| 304 | S | 91.9 | Very high | 93.5 | Very high | 28 Ų | 28 | 18 Ų | 18 | 20% | 0.196 | 12% | 0.119 | C | C | . | . | trans | -66.4 | 146.4 | 176.2 | 25.8 | 0 | 0 | 0 | 0 | 111.6 | V181 E234 | V181-S304 WeakPolarHBondContact O-CA 3.42Å; E234-S304 WeakPolarHBondContact OE2-CB 3.25Å; E234-S304 PolarHBondContact OE2-OG 3.41Å | ||
| 305 | I | 93.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 152.6 | 171.9 | 64.3 | 178.8 | 0 | 0 | 0 | 108.8 | V181 I230 H232 V235 V248 L270 V297 N299 | V181-I305 HydrophobicContact CB-CD1 4.41Å; V181-I305 HydrophobicContact CB-CG1 3.83Å; V181-I305 PolarHBondContact N-O 2.84Å; V181-I305 PolarHBondContact O-N 3.22Å; I230-I305 HydrophobicContact CG2-CB 4.01Å; I230-I305 HydrophobicContact CG2-CD1 4.02Å; I230-I305 HydrophobicContact CG2-CG1 4.41Å; I230-I305 HydrophobicContact CG2-CG2 4.49Å; H232-I305 HydrophobicContact CB-CG2 4.49Å; V235-I305 HydrophobicContact CG2-CG2 3.93Å; V248-I305 HydrophobicContact CB-CD1 4.34Å; V248-I305 HydrophobicContact CG1-CD1 3.67Å; V248-I305 HydrophobicContact CG2-CD1 3.67Å; L270-I305 HydrophobicContact CD1-CG2 4.28Å; V297-I305 HydrophobicContact CG1-CD1 4.2Å; N299-I305 HydrophobicContact CB-CD1 4.02Å; N299-I305 HydrophobicContact CB-CG1 4.31Å |
| 306 | T | 94.9 | Very high | 93.4 | Very high | 32 Ų | 32 | 20.3 Ų | 20.3 | 20% | 0.196 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.3 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | P178 V180 D231 | P178-T306 HydrophobicContact CB-CG2 3.91Å; V180-T306 HydrophobicContact CG2-CG2 4.36Å; D231-T306 PolarHBondContact N-O 3.25Å; D231-T306 PolarHBondContact O-N 2.98Å |
| 307 | I | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126.8 | 171.2 | -59.9 | 173.6 | 0 | 0 | 0 | 107.8 | L175 P178 V179 V181 L189 V228 H229 V297 | L175-I307 HydrophobicContact CD2-CB 4.48Å; L175-I307 HydrophobicContact CD2-CG2 3.72Å; P178-I307 CarbonylContact C-O 3.57Å; P178-I307 WeakPolarHBondContact CA-O 3.38Å; V179-I307 HydrophobicContact CB-CB 4.45Å; V179-I307 PolarHBondContact N-O 3.46Å; V179-I307 PolarHBondContact O-N 2.89Å; V181-I307 HydrophobicContact CG2-CD1 3.85Å; V181-I307 HydrophobicContact CG2-CG1 4.27Å; L189-I307 HydrophobicContact CD1-CD1 4.08Å; L189-I307 HydrophobicContact CD2-CD1 3.34Å; L189-I307 HydrophobicContact CG-CD1 4.33Å; V228-I307 HydrophobicContact CG1-CD1 4.15Å; V228-I307 HydrophobicContact CG1-CG1 4.18Å; V228-I307 HydrophobicContact CG1-CG2 3.68Å; H229-I307 CarbonylContact O-C 3.43Å; H229-I307 WeakPolarHBondContact O-CA 3.33Å; V297-I307 HydrophobicContact CB-CD1 3.96Å; V297-I307 HydrophobicContact CG1-CD1 4.09Å; V297-I307 HydrophobicContact CG2-CD1 3.56Å |
| 308 | Q | 95 | Very high | 93.1 | Very high | 50 Ų | 50 | 24.4 Ų | 24.4 | 23% | 0.234 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -81 | 149.7 | -175.6 | -70.9 | -70.5 | -15.9 | 0 | 0 | 111.7 | H229 D231 I276 S311 | H229-Q308 HydrophobicContact CB-CB 3.96Å; H229-Q308 PolarHBondContact O-N 3.37Å; D231-Q308 HydrophobicContact CB-CG 4.12Å; D231-Q308 PolarHBondContact OD2-NE2 3.11Å; I276-Q308 HydrophobicContact CD1-CG 4.19Å; Q308-S311 PolarHBondContact O-N 2.99Å; Q308-S311 PolarHBondContact O-OG 3.15Å |
| 309 | S | 93.2 | Very high | 92.7 | Very high | 59 Ų | 59 | 24.2 Ų | 24.2 | 41% | 0.413 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 145 | 168.5 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 310 | G | 89.9 | Confident | 92.2 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 23% | 0.227 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -2.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | K174 L175 D312 | K174-G310 PolarHBondContact NZ-O 3.41Å; L175-G310 PolarHBondContact O-N 3.03Å; L175-G310 VanDerWaalsContact O-N 3.07Å; G310-D312 PolarHBondContact O-N 3.38Å |
| 311 | S | 95.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | trans | -56.7 | 131.5 | 165.8 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | K174 L175 N227 H229 Q308 | K174-S311 CarbonylContact C-O 3.5Å; K174-S311 VanDerWaalsContact CA-O 3.28Å; K174-S311 WeakPolarHBondContact CA-O 3.41Å; L175-S311 PolarHBondContact N-O 3.41Å; N227-S311 CarbonylContact O-C 3.59Å; N227-S311 WeakPolarHBondContact O-CA 3.48Å; N227-S311 WeakPolarHBondContact O-CB 3.28Å; H229-S311 PolarHBondContact N-OG 3.44Å; Q308-S311 PolarHBondContact O-N 2.99Å; Q308-S311 PolarHBondContact O-OG 3.15Å | ||
| 312 | D | 94.1 | Very high | 92.4 | Very high | 18 Ų | 18 | 32.9 Ų | 32.9 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 141.8 | -171.3 | -53.1 | -67.4 | 0 | 0 | 0 | 111.6 | H172 K174 A226 N227 G310 M314 | H172-D312 IonicContact NE2-OD1 3.64Å; K174-D312 WeakPolarHBondContact CE-OD1 3.24Å; K174-D312 WeakPolarHBondContact CG-OD1 3.4Å; K174-D312 IonicContact NZ-OD1 2.61Å; K174-D312 PolarHBondContact NZ-OD1 2.77Å; K174-D312 IonicContact NZ-OD2 3.76Å; A226-D312 CarbonylContact C-O 3.54Å; A226-D312 VanDerWaalsContact CA-O 3.25Å; A226-D312 WeakPolarHBondContact CA-O 3.34Å; N227-D312 HydrophobicContact CB-CB 4.13Å; N227-D312 PolarHBondContact N-O 3.35Å; N227-D312 PolarHBondContact O-N 2.92Å; G310-D312 PolarHBondContact O-N 3.38Å; D312-M314 HydrophobicContact CB-CE 4.34Å |
| 313 | F | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124.6 | 164.7 | -175.7 | -147.8 | 0 | 0 | 0 | 109.6 | F171 C173 F192 M207 F224 A226 I252 I295 | F171-F313 AromaticContact CE2-CD1 3.54Å; F171-F313 HydrophobicContact CE2-CD1 3.54Å; F171-F313 HydrophobicContact CE2-CD2 4.22Å; F171-F313 AromaticContact CE2-CE1 3.62Å; F171-F313 HydrophobicContact CE2-CE1 3.62Å; F171-F313 HydrophobicContact CE2-CE2 4.3Å; F171-F313 AromaticContact CE2-CG 3.85Å; F171-F313 HydrophobicContact CE2-CG 3.85Å; F171-F313 HydrophobicContact CE2-CZ 4.02Å; F171-F313 HydrophobicContact CZ-CD1 4.07Å; F171-F313 HydrophobicContact CZ-CD2 4.49Å; F171-F313 AromaticContact CZ-CE1 3.65Å; F171-F313 HydrophobicContact CZ-CE1 3.65Å; F171-F313 HydrophobicContact CZ-CE2 4.13Å; F171-F313 HydrophobicContact CZ-CG 4.47Å; F171-F313 AromaticContact CZ-CZ 3.69Å; F171-F313 HydrophobicContact CZ-CZ 3.69Å; C173-F313 PolarHBondContact N-O 2.8Å; C173-F313 PolarHBondContact O-N 2.95Å; F192-F313 HydrophobicContact CD1-CB 4.31Å; F192-F313 HydrophobicContact CE1-CB 3.78Å; F192-F313 HydrophobicContact CZ-CB 4.24Å; M207-F313 HydrophobicContact CE-CD1 3.89Å; M207-F313 HydrophobicContact CE-CE1 4.17Å; M207-F313 HydrophobicContact SD-CD1 4.34Å; M207-F313 HydrophobicContact SD-CE1 4.16Å; F224-F313 AromaticContact CD1-CE2 3.88Å; F224-F313 HydrophobicContact CD1-CE2 3.88Å; F224-F313 HydrophobicContact CD1-CZ 4.03Å; F224-F313 HydrophobicContact CE1-CZ 4.34Å; A226-F313 HydrophobicContact CB-CD2 4.34Å; I252-F313 HydrophobicContact CD1-CE2 4.33Å; I252-F313 HydrophobicContact CG2-CE2 4.49Å; I295-F313 HydrophobicContact CD1-CB 3.5Å; I295-F313 VanDerWaalsContact CD1-CB 3.5Å; I295-F313 HydrophobicContact CD1-CD1 3.95Å; I295-F313 HydrophobicContact CD1-CD2 3.43Å; I295-F313 VanDerWaalsContact CD1-CD2 3.43Å; I295-F313 HydrophobicContact CD1-CE2 4.1Å; I295-F313 HydrophobicContact CD1-CG 3.34Å; I295-F313 HydrophobicContact CG1-CD1 4.35Å; I295-F313 HydrophobicContact CG1-CD2 3.83Å; I295-F313 HydrophobicContact CG1-CE1 4.49Å; I295-F313 HydrophobicContact CG1-CE2 3.97Å; I295-F313 HydrophobicContact CG1-CG 4.04Å; I295-F313 HydrophobicContact CG1-CZ 4.3Å |
| 314 | M | 94.6 | Very high | 93 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 25% | 0.246 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.4 | -175.8 | -64.3 | 174.7 | -76.2 | 0 | 0 | 109.9 | F171 H172 F224 S225 D312 | F171-M314 VanDerWaalsContact O-CA 3.31Å; F171-M314 WeakPolarHBondContact O-CA 3.38Å; H172-M314 HydrophobicContact CB-CG 4.09Å; F224-M314 WeakPolarHBondContact CA-O 3.41Å; S225-M314 PolarHBondContact N-O 3.06Å; S225-M314 PolarHBondContact O-N 3.08Å; D312-M314 HydrophobicContact CB-CE 4.34Å |
| 315 | G | 95.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 145.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A170 F171 Q223 | A170-G315 CarbonylContact C-O 3.48Å; A170-G315 WeakPolarHBondContact CA-O 3.5Å; F171-G315 VanDerWaalsContact CE1-CA 3.49Å; F171-G315 PolarHBondContact N-O 3.45Å; F171-G315 PolarHBondContact O-N 3.07Å; F171-G315 VanDerWaalsContact O-N 3.1Å; Q223-G315 CarbonylContact O-C 3.49Å; Q223-G315 VanDerWaalsContact O-CA 3.26Å; Q223-G315 WeakPolarHBondContact O-CA 3.43Å |
| 316 | I | 94.6 | Very high | 93.1 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 24% | 0.236 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 134.5 | 176.7 | -178.6 | 165.2 | 0 | 0 | 0 | 110.5 | I167 A170 Y222 Q223 L318 | I167-I316 HydrophobicContact CD1-CD1 3.71Å; I167-I316 HydrophobicContact CG1-CD1 4.08Å; I167-I316 HydrophobicContact CG2-CD1 3.71Å; I167-I316 HydrophobicContact CG2-CG1 3.69Å; A170-I316 HydrophobicContact CB-CB 4.07Å; A170-I316 HydrophobicContact CB-CD1 4.36Å; A170-I316 HydrophobicContact CB-CG1 3.97Å; Y222-I316 CarbonylContact C-O 3.49Å; Y222-I316 WeakPolarHBondContact CA-O 3.31Å; Q223-I316 HydrophobicContact CB-CG2 3.81Å; Q223-I316 PolarHBondContact N-O 3.04Å; Q223-I316 PolarHBondContact O-N 3.15Å; I316-L318 HydrophobicContact CG2-CD2 4.05Å; I316-L318 PolarHBondContact O-N 3.3Å |
| 317 | L | 94.3 | Very high | 92.9 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 120.7 | 168.1 | 177.2 | 65.6 | 0 | 0 | 0 | 109.2 | Q168 E169 I218 Y222 G319 E320 | Q168-L317 HydrophobicContact CB-CD2 4.13Å; E169-L317 HydrophobicContact CB-CB 4.1Å; E169-L317 PolarHBondContact O-N 2.96Å; I218-L317 HydrophobicContact CD1-CD2 4.26Å; Y222-L317 HydrophobicContact CD1-CB 4.01Å; Y222-L317 HydrophobicContact CD1-CD1 4.23Å; Y222-L317 HydrophobicContact CD2-CD1 4.15Å; Y222-L317 HydrophobicContact CE1-CB 3.7Å; Y222-L317 HydrophobicContact CE1-CD1 3.86Å; Y222-L317 HydrophobicContact CE1-CG 4.3Å; Y222-L317 HydrophobicContact CE2-CD1 3.77Å; Y222-L317 HydrophobicContact CG-CD1 4.38Å; L317-G319 WeakPolarHBondContact CD1-O 3.34Å; L317-E320 HydrophobicContact CD2-CG 4.36Å |
| 318 | L | 92.4 | Very high | 92.7 | Very high | 87 Ų | 87 | 40.3 Ų | 40.3 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -39.1 | 177.5 | -64 | -174.1 | 0 | 0 | 0 | 112.1 | I221 Q223 L284 I316 | I221-L318 PolarHBondContact O-N 3.45Å; Q223-L318 HydrophobicContact CB-CD1 3.87Å; Q223-L318 HydrophobicContact CB-CD2 4.3Å; Q223-L318 HydrophobicContact CB-CG 3.99Å; L284-L318 HydrophobicContact CD2-CD1 3.55Å; I316-L318 HydrophobicContact CG2-CD2 4.05Å; I316-L318 PolarHBondContact O-N 3.3Å |
| 319 | G | 87.5 | Confident | 92.5 | Very high | 23 Ų | 23 | 39.5 Ų | 39.5 | 24% | 0.237 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 151.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | G220 I221 L317 | G220-G319 CarbonylContact C-O 3.5Å; G220-G319 VanDerWaalsContact CA-O 3.27Å; G220-G319 WeakPolarHBondContact CA-O 3.27Å; I221-G319 PolarHBondContact N-O 3.37Å; L317-G319 WeakPolarHBondContact CD1-O 3.34Å |
| 320 | E | 84 | Confident | 92.5 | Very high | 150 Ų | 150 | 37.7 Ų | 37.7 | 70% | 0.701 | 21% | 0.211 | S | C | * | . | trans | -93.2 | 0 | 169.9 | -58 | 175.1 | 178.9 | 0 | 0 | 109.6 | Q168 I218 L317 | Q168-E320 PolarHBondContact NE2-OE1 3.39Å; I218-E320 HydrophobicContact CG2-CG 3.63Å; I218-E320 WeakPolarHBondContact CG2-OE1 3.21Å; L317-E320 HydrophobicContact CD2-CG 4.36Å |
Retrieved 320 of 320 residues in 108 ms
(Link to these results)