| 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 | 43.3 | Very low | 44.7 | Very low | 244 Ų | 244 | 161.1 Ų | 161.1 | 100% | 1.202 | 82% | 0.823 | S | S | * | * | 0 | 127.2 | 0 | -81.9 | 171.3 | 175.2 | 0 | 0 | 107.7 | |||||
| 2 | N | 35.7 | Very low | 45.4 | Very low | 140 Ų | 140 | 156 Ų | 156 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | -15.3 | 140.1 | 171.5 | -58 | -31 | 0 | 0 | 0 | 117.5 | ||||
| 3 | F | 42.4 | Very low | 45.3 | Very low | 195 Ų | 195 | 157 Ų | 157 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | -178.4 | 121.5 | 97.3 | -101.9 | -80.2 | 0 | 0 | 0 | 111.1 | |||||
| 4 | S | 40.9 | Very low | 46 | Very low | 96 Ų | 96 | 157 Ų | 157 | 67% | 0.671 | 82% | 0.816 | S | S | * | * | trans | -63.5 | 160.6 | 165.7 | -57 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 5 | N | 46.6 | Very low | 46 | Very low | 139 Ų | 139 | 153.1 Ų | 153.1 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | 179.4 | 107.6 | 123.5 | -83.9 | -17.8 | 0 | 0 | 0 | 111.5 | |||||
| 6 | D | 46.8 | Very low | 46.1 | Very low | 136 Ų | 136 | 154.8 Ų | 154.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | 33 | 126.3 | 127.1 | -48.7 | -28.9 | 0 | 0 | 0 | 120.1 | |||||
| 7 | K | 48.3 | Very low | 46.5 | Very low | 209 Ų | 209 | 152.4 Ų | 152.4 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | -172.6 | 122.6 | 103.6 | -94.6 | 160.8 | -169 | -175.5 | 0 | 112.8 | |||||
| 8 | E | 41.2 | Very low | 46.4 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -66 | 138.2 | 174.6 | -168.9 | 164.3 | 122.1 | 0 | 0 | 112.2 | ||||
| 9 | L | 47.9 | Very low | 46.8 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -133.8 | 110.8 | 155.7 | -116.5 | 106.3 | 0 | 0 | 0 | 110.5 | ||||
| 10 | T | 43.8 | Very low | 46.7 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | -44 | 127.8 | 174.6 | -51.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 11 | I | 54.8 | Low | 46.8 | Very low | 158 Ų | 158 | 151.6 Ų | 151.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 116.8 | 165.3 | -55.4 | 172.7 | 0 | 0 | 0 | 107.7 | ||
| 12 | P | 53.1 | Low | 47 | Very low | 100 Ų | 100 | 151.2 Ų | 151.2 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 134.3 | 172.7 | 31.1 | -29.4 | 0 | 0 | 0 | 110.9 | L14 | P12-L14 PolarHBondContact O-N 3.29Š|
| 13 | N | 44.4 | Very low | 47.5 | Very low | 169 Ų | 169 | 148 Ų | 148 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 128.6 | 168.6 | -88.3 | -79.8 | 0 | 0 | 0 | 111.3 | ||
| 14 | L | 54.9 | Low | 47.5 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -126.8 | 145.6 | 165.7 | -88.3 | 160 | 0 | 0 | 0 | 109.7 | P12 | P12-L14 PolarHBondContact O-N 3.29Š| ||
| 15 | P | 46.6 | Very low | 47.7 | Very low | 99 Ų | 99 | 153.3 Ų | 153.3 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -83.1 | 153.3 | -148.6 | 32.6 | -36.3 | 0 | 0 | 0 | 113.8 | V17 | P15-V17 HydrophobicContact CB-CG2 4.32Å; P15-V17 HydrophobicContact CG-CG2 4.29Å; P15-V17 PolarHBondContact O-N 2.87Å | ||
| 16 | I | 47 | Very low | 47.5 | Very low | 179 Ų | 179 | 152.6 Ų | 152.6 | 92% | 0.918 | 78% | 0.778 | S | S | * | * | trans | -60.9 | 91 | 169.2 | -60.3 | 171.1 | 0 | 0 | 0 | 108.7 | ||||
| 17 | V | 52 | Low | 47 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | -148.8 | 129.8 | 167.2 | -154.5 | 0 | 0 | 0 | 0 | 109.2 | P15 | P15-V17 HydrophobicContact CB-CG2 4.32Å; P15-V17 HydrophobicContact CG-CG2 4.29Å; P15-V17 PolarHBondContact O-N 2.87Å | ||
| 18 | D | 44.7 | Very low | 46.6 | Very low | 86 Ų | 86 | 153.8 Ų | 153.8 | 46% | 0.46 | 78% | 0.776 | S | S | . | * | trans | 76.6 | 54.5 | 164.6 | -95.1 | -4.4 | 0 | 0 | 0 | 119.3 | N20 R21 | D18-N20 PolarHBondContact O-N 3.37Å; D18-R21 IonicContact OD2-CZ 3.5Å; D18-R21 IonicContact OD2-NE 3.37Å; D18-R21 PolarHBondContact OD2-NE 3.36Å; D18-R21 IonicContact OD2-NH2 2.87Å; D18-R21 PolarHBondContact OD2-NH2 3.33Å | ||
| 19 | L | 53.9 | Low | 46.7 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -70.4 | -7.6 | 156.6 | -129.6 | 81.3 | 0 | 0 | 0 | 113.2 | R21 | L19-R21 PolarHBondContact O-N 3.28Š|
| 20 | N | 45.1 | Very low | 46.5 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -87.2 | 6.9 | -179.6 | -90.3 | -12.4 | 0 | 0 | 0 | 115.1 | D18 | D18-N20 PolarHBondContact O-N 3.37Š|
| 21 | R | 48.9 | Very low | 46.4 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -106.2 | -0.7 | 179.3 | -140.6 | -178.4 | -74.3 | -160.6 | 0.7 | 115.2 | D18 L19 | D18-R21 IonicContact OD2-CZ 3.5Å; D18-R21 IonicContact OD2-NE 3.37Å; D18-R21 PolarHBondContact OD2-NE 3.36Å; D18-R21 IonicContact OD2-NH2 2.87Å; D18-R21 PolarHBondContact OD2-NH2 3.33Å; L19-R21 PolarHBondContact O-N 3.28Å |
| 22 | R | 48.3 | Very low | 45.9 | Very low | 237 Ų | 237 | 143.6 Ų | 143.6 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -105.4 | 3 | 178.9 | -90 | 163.6 | 172.4 | 122.8 | -4.1 | 115.3 | ||
| 23 | A | 46.3 | Very low | 45.8 | Very low | 72 Ų | 72 | 144.5 Ų | 144.5 | 60% | 0.595 | 76% | 0.757 | S | S | * | * | trans | -98.8 | 17.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 24 | R | 41.9 | Very low | 45.9 | Very low | 234 Ų | 234 | 141.1 Ų | 141.1 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -101.4 | 45.1 | 172.9 | -78.8 | -162.9 | -169.7 | -123.9 | 5.2 | 113.3 | ||||
| 25 | L | 45.4 | Very low | 45.5 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 89% | 0.885 | 74% | 0.743 | S | S | * | * | trans | -125.5 | 43.8 | 162.9 | -77.1 | 167.4 | 0 | 0 | 0 | 109.6 | ||||
| 26 | T | 42.5 | Very low | 45.6 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | -139.6 | 58.3 | 174.7 | 56.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 27 | D | 35.2 | Very low | 45.9 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -164.8 | 73.1 | 158.4 | -160.8 | -2.6 | 0 | 0 | 0 | 108.1 | T29 | D27-T29 PolarHBondContact O-N 3.12Å; D27-T29 PolarHBondContact OD1-N 3.19Å; D27-T29 VanDerWaalsContact OD1-N 3.11Å; D27-T29 PolarHBondContact OD1-OG1 3.02Å | ||
| 28 | R | 39.7 | Very low | 46.5 | Very low | 237 Ų | 237 | 137.1 Ų | 137.1 | 89% | 0.894 | 74% | 0.737 | S | S | * | * | trans | -89.4 | 79.8 | 151.2 | -83.3 | -160.5 | 173.9 | -165.1 | -0.2 | 106.1 | S30 | R28-S30 PolarHBondContact O-N 3.24Š| ||
| 29 | T | 43.7 | Very low | 48.3 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | trans | -21.4 | 122 | 145.4 | -34.7 | 0 | 0 | 0 | 0 | 108.7 | D27 A31 | D27-T29 PolarHBondContact O-N 3.12Å; D27-T29 PolarHBondContact OD1-N 3.19Å; D27-T29 VanDerWaalsContact OD1-N 3.11Å; D27-T29 PolarHBondContact OD1-OG1 3.02Å; T29-A31 VanDerWaalsContact C-N 3.3Å; T29-A31 PolarHBondContact O-N 2.94Å | ||
| 30 | S | 43.6 | Very low | 50 | Low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 72% | 0.722 | S | S | * | * | trans | -28.7 | 89.6 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | R28 | R28-S30 PolarHBondContact O-N 3.24Š| ||
| 31 | A | 43 | Very low | 52.2 | Low | 65 Ų | 65 | 127.3 Ų | 127.3 | 54% | 0.537 | 69% | 0.69 | S | S | . | * | trans | -63 | 131.2 | 171 | 0 | 0 | 0 | 0 | 0 | 104.6 | T29 V33 | T29-A31 VanDerWaalsContact C-N 3.3Å; T29-A31 PolarHBondContact O-N 2.94Å; A31-V33 PolarHBondContact O-N 3.36Å | ||
| 32 | P | 43.8 | Very low | 54.2 | Low | 120 Ų | 120 | 121.5 Ų | 121.5 | 78% | 0.779 | 68% | 0.676 | S | S | * | * | trans | -53.7 | 113.2 | 173.2 | -16.6 | 27.4 | 0 | 0 | 0 | 105.8 | P34 | P32-P34 WeakPolarHBondContact O-CD 3.31Š| ||
| 33 | V | 51.2 | Low | 56.4 | Low | 120 Ų | 120 | 110.4 Ų | 110.4 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | trans | -53.4 | 116.4 | 167.8 | -170.8 | 0 | 0 | 0 | 0 | 102.9 | A31 | A31-V33 PolarHBondContact O-N 3.36Š| ||
| 34 | P | 46.3 | Very low | 58.7 | Low | 98 Ų | 98 | 109 Ų | 109 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | trans | -51.4 | 137.5 | 174.5 | 23.6 | -32.2 | 0 | 0 | 0 | 105.1 | P32 S36 | P32-P34 WeakPolarHBondContact O-CD 3.31Å; P34-S36 PolarHBondContact O-N 3.17Å | ||
| 35 | P | 46.1 | Very low | 61.2 | Low | 121 Ų | 121 | 97.9 Ų | 97.9 | 79% | 0.786 | 57% | 0.572 | S | S | * | * | trans | -54.4 | 98.3 | -178.2 | 22.1 | -32 | 0 | 0 | 0 | 106.4 | L37 | P35-L37 PolarHBondContact O-N 2.83Š| ||
| 36 | S | 48 | Very low | 63.4 | Low | 96 Ų | 96 | 90 Ų | 90 | 67% | 0.671 | 53% | 0.53 | S | S | * | . | trans | -59.4 | 111.6 | 179.9 | 51.7 | 0 | 0 | 0 | 0 | 101.5 | P34 S38 | P34-S36 PolarHBondContact O-N 3.17Å; S36-S38 WeakPolarHBondContact O-CA 3.41Å; S36-S38 PolarHBondContact O-N 3.11Å | ||
| 37 | L | 53.3 | Low | 65.8 | Low | 156 Ų | 156 | 84.3 Ų | 84.3 | 82% | 0.817 | 50% | 0.495 | S | S | * | . | trans | -2.8 | 97.8 | 178.4 | -89.8 | 141.6 | 0 | 0 | 0 | 108.9 | P35 V39 | P35-L37 PolarHBondContact O-N 2.83Å; L37-V39 HydrophobicContact CB-CG2 4.14Å; L37-V39 WeakPolarHBondContact O-CG2 3.4Å; L37-V39 PolarHBondContact O-N 3.44Å | ||
| 38 | S | 65 | Low | 68.4 | Low | 92 Ų | 92 | 81.9 Ų | 81.9 | 64% | 0.643 | 48% | 0.479 | S | S | * | . | trans | -70.9 | 69 | -170.7 | 58.5 | 0 | 0 | 0 | 0 | 108.5 | S36 V40 | S36-S38 WeakPolarHBondContact O-CA 3.41Å; S36-S38 PolarHBondContact O-N 3.11Å; S38-V40 PolarHBondContact O-N 3.36Å | ||
| 39 | V | 83.9 | Confident | 70.8 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 47% | 0.467 | 45% | 0.452 | S | S | . | . | trans | -69.3 | 110.5 | 178.2 | -174.8 | 0 | 0 | 0 | 0 | 104.3 | L37 Q41 L191 | L37-V39 HydrophobicContact CB-CG2 4.14Å; L37-V39 WeakPolarHBondContact O-CG2 3.4Å; L37-V39 PolarHBondContact O-N 3.44Å; V39-Q41 PolarHBondContact O-N 3.4Å; V39-L191 HydrophobicContact CB-CD2 4.13Å; V39-L191 HydrophobicContact CG1-CD2 3.42Å; V39-L191 VanDerWaalsContact CG1-CD2 3.42Å | ||
| 40 | V | 88.4 | Confident | 72.9 | Confident | 93 Ų | 93 | 74.7 Ų | 74.7 | 56% | 0.564 | 46% | 0.455 | S | S | * | . | trans | -76 | 115.6 | 177 | 177.6 | 0 | 0 | 0 | 0 | 106.8 | S38 T89 | S38-V40 PolarHBondContact O-N 3.36Å; V40-T89 HydrophobicContact CG1-CG2 3.32Å | ||
| 41 | Q | 90.9 | Very high | 75.2 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 14% | 0.14 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 146.3 | 171.9 | -174.5 | 56.3 | 54 | 0 | 0 | 108.9 | V39 I43 T89 G90 I95 L191 | V39-Q41 PolarHBondContact O-N 3.4Å; Q41-I43 HydrophobicContact CG-CD1 4.01Å; Q41-I43 HydrophobicContact CG-CG1 4.21Å; Q41-T89 VanDerWaalsContact O-CA 3.32Å; Q41-T89 WeakPolarHBondContact O-CA 3.45Å; Q41-G90 PolarHBondContact N-O 3.34Å; Q41-G90 PolarHBondContact O-N 3.03Å; Q41-I95 HydrophobicContact CB-CD1 3.86Å; Q41-I95 HydrophobicContact CG-CD1 4.35Å; Q41-L191 HydrophobicContact CB-CD2 4.12Å; Q41-L191 HydrophobicContact CB-CG 4.43Å; Q41-L191 HydrophobicContact CG-CD2 4.44Å; Q41-L191 HydrophobicContact CG-CG 4.43Å |
| 42 | T | 92.6 | Very high | 77.5 | Confident | 64 Ų | 64 | 68.1 Ų | 68.1 | 39% | 0.393 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.3 | 168.4 | -64 | 0 | 0 | 0 | 0 | 109.3 | R44 T87 T89 | T42-R44 HydrophobicContact CG2-CG 4.39Å; T42-T87 HydrophobicContact CG2-CG2 3.51Å; T42-T89 WeakPolarHBondContact CG2-OG1 3.5Å; T42-T89 VanDerWaalsContact OG1-CG2 3.31Å; T42-T89 WeakPolarHBondContact OG1-CG2 3.49Å; T42-T89 PolarHBondContact OG1-OG1 3.39Å |
| 43 | I | 93.8 | Very high | 79.8 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133 | 178.8 | -65 | -60.9 | 0 | 0 | 0 | 108.2 | Q41 L45 T87 I88 I95 F99 L126 L190 | Q41-I43 HydrophobicContact CG-CD1 4.01Å; Q41-I43 HydrophobicContact CG-CG1 4.21Å; I43-L45 HydrophobicContact CG2-CD2 4.39Å; I43-L45 HydrophobicContact CG2-CG 4.49Å; I43-T87 CarbonylContact O-C 3.53Å; I43-T87 WeakPolarHBondContact O-CA 3.46Å; I43-I88 PolarHBondContact N-O 3.37Å; I43-I88 PolarHBondContact O-N 2.96Å; I43-I95 HydrophobicContact CG1-CD1 4.13Å; I43-I95 HydrophobicContact CG1-CG2 4.28Å; I43-F99 HydrophobicContact CG2-CE2 4.11Å; I43-F99 HydrophobicContact CG2-CZ 3.97Å; I43-L126 HydrophobicContact CG2-CD1 3.5Å; I43-L126 VanDerWaalsContact CG2-CD1 3.5Å; I43-L190 HydrophobicContact CD1-CD1 3.86Å |
| 44 | R | 94.2 | Very high | 81.7 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 119 | -177.4 | -63.8 | 176.3 | 69.9 | -147.5 | -4.2 | 109.5 | T42 I85 T87 L126 I127 E167 P201 Y202 | T42-R44 HydrophobicContact CG2-CG 4.39Å; R44-I85 HydrophobicContact CB-CG2 4.26Å; R44-T87 HydrophobicContact CG-CG2 4.08Å; R44-L126 WeakPolarHBondContact O-CD1 3.28Å; R44-I127 HydrophobicContact CB-CB 4.16Å; R44-I127 PolarHBondContact O-N 3.39Å; R44-E167 IonicContact CZ-OE2 3.71Å; R44-E167 IonicContact NH1-OE1 3.87Å; R44-E167 PolarHBondContact NH1-OE1 3.2Å; R44-E167 IonicContact NH1-OE2 2.74Å; R44-E167 PolarHBondContact NH1-OE2 3.4Å; R44-P201 VanDerWaalsContact NH1-CB 3.31Å; R44-Y202 PolarHBondContact NH2-O 3.24Å |
| 45 | L | 94.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.6 | 178.9 | -60.3 | 172.9 | 0 | 0 | 0 | 109.6 | I43 M47 I85 V86 I88 F99 F124 R125 L126 M183 | I43-L45 HydrophobicContact CG2-CD2 4.39Å; I43-L45 HydrophobicContact CG2-CG 4.49Å; L45-M47 HydrophobicContact CB-CE 4.26Å; L45-M47 HydrophobicContact CB-CG 4.46Å; L45-M47 HydrophobicContact CD1-CE 3.76Å; L45-I85 CarbonylContact O-C 3.52Å; L45-I85 VanDerWaalsContact O-CA 3.24Å; L45-I85 WeakPolarHBondContact O-CA 3.36Å; L45-V86 HydrophobicContact CB-CB 4.31Å; L45-V86 PolarHBondContact N-O 3.06Å; L45-V86 PolarHBondContact O-N 3.18Å; L45-I88 HydrophobicContact CD1-CD1 4.07Å; L45-F99 HydrophobicContact CD1-CE1 3.48Å; L45-F99 VanDerWaalsContact CD1-CE1 3.48Å; L45-F99 HydrophobicContact CD1-CZ 3.61Å; L45-F99 HydrophobicContact CD2-CE1 4.01Å; L45-F99 HydrophobicContact CD2-CZ 3.86Å; L45-F99 HydrophobicContact CG-CE1 4.28Å; L45-F99 HydrophobicContact CG-CZ 4.08Å; L45-F124 HydrophobicContact CD1-CD1 4.49Å; L45-R125 CarbonylContact C-O 3.59Å; L45-R125 WeakPolarHBondContact CA-O 3.42Å; L45-L126 HydrophobicContact CD2-CB 4.41Å; L45-L126 HydrophobicContact CD2-CD1 3.98Å; L45-M183 HydrophobicContact CD2-CE 4.35Å |
| 46 | L | 92.7 | Very high | 86.2 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.9 | 169 | -170.7 | 63.6 | 0 | 0 | 0 | 108.4 | E83 I85 R125 I127 Y202 | L46-E83 HydrophobicContact CD1-CB 3.96Å; L46-I85 HydrophobicContact CD1-CG1 4.02Å; L46-R125 HydrophobicContact CB-CB 4.14Å; L46-R125 PolarHBondContact N-O 2.68Å; L46-R125 WeakPolarHBondContact O-CB 3.31Å; L46-I127 HydrophobicContact CB-CD1 4Å; L46-I127 HydrophobicContact CB-CG1 3.96Å; L46-I127 HydrophobicContact CD1-CD1 4.45Å; L46-Y202 HydrophobicContact CD1-CE1 4.05Å; L46-Y202 HydrophobicContact CD2-CE1 4.45Å |
| 47 | M | 92.2 | Very high | 88.3 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 156.5 | -176.3 | -71.1 | 176.2 | 164.7 | 0 | 0 | 110.9 | L45 V52 I55 E83 R84 V86 F106 F124 | L45-M47 HydrophobicContact CB-CE 4.26Å; L45-M47 HydrophobicContact CB-CG 4.46Å; L45-M47 HydrophobicContact CD1-CE 3.76Å; M47-V52 HydrophobicContact CB-CG2 3.43Å; M47-V52 VanDerWaalsContact CB-CG2 3.43Å; M47-V52 HydrophobicContact CG-CG2 4.39Å; M47-V52 HydrophobicContact SD-CG2 4.11Å; M47-I55 HydrophobicContact CE-CD1 3.73Å; M47-I55 HydrophobicContact SD-CD1 3.37Å; M47-I55 WeakPolarHBondContact SD-CD1 3.35Å; M47-E83 CarbonylContact O-C 3.51Å; M47-E83 WeakPolarHBondContact O-CA 3.5Å; M47-R84 PolarHBondContact N-O 3.12Å; M47-R84 PolarHBondContact O-N 3.17Å; M47-V86 HydrophobicContact SD-CB 4.42Å; M47-V86 HydrophobicContact SD-CG2 3.79Å; M47-F106 HydrophobicContact CE-CE2 4.3Å; M47-F106 HydrophobicContact CE-CZ 4.31Å; M47-F124 HydrophobicContact CE-CD1 3.39Å; M47-F124 HydrophobicContact CE-CE1 3.35Å |
| 48 | Q | 90.9 | Very high | 90.1 | Very high | 83 Ų | 83 | 50 Ų | 50 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 153.8 | 173.8 | -60.9 | -173.7 | -2.5 | 0 | 0 | 111 | K50 E51 V52 | Q48-K50 HydrophobicContact CB-CG 4.29Å; Q48-K50 PolarHBondContact O-N 3.11Å; Q48-K50 VanDerWaalsContact O-N 3.15Å; Q48-E51 HydrophobicContact CB-CG 4.3Å; Q48-E51 PolarHBondContact N-OE2 3.27Å; Q48-E51 WeakPolarHBondContact O-CB 3.49Å; Q48-E51 PolarHBondContact O-N 3.43Å; Q48-V52 WeakPolarHBondContact O-CG2 3.23Å; Q48-V52 PolarHBondContact O-N 3.47Å |
| 49 | G | 88.7 | Confident | 91.4 | Very high | 31 Ų | 31 | 55.7 Ų | 55.7 | 32% | 0.32 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55 | -34.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | G53 P82 | G49-G53 PolarHBondContact O-N 3.05Å; G49-P82 PolarHBondContact N-O 3.27Å |
| 50 | K | 88.5 | Confident | 91.9 | Very high | 156 Ų | 156 | 53 Ų | 53 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65 | -40.8 | 177.1 | 72 | -166.8 | -171.4 | -156.7 | 0 | 112.7 | Q48 S54 | Q48-K50 HydrophobicContact CB-CG 4.29Å; Q48-K50 PolarHBondContact O-N 3.11Å; Q48-K50 VanDerWaalsContact O-N 3.15Å; K50-S54 PolarHBondContact O-N 3.01Å |
| 51 | E | 90.6 | Very high | 92.2 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.2 | -45.7 | -178.9 | -61.2 | 171.1 | 152.4 | 0 | 0 | 110 | Q48 G53 S54 I55 F106 | Q48-E51 HydrophobicContact CB-CG 4.3Å; Q48-E51 PolarHBondContact N-OE2 3.27Å; Q48-E51 WeakPolarHBondContact O-CB 3.49Å; Q48-E51 PolarHBondContact O-N 3.43Å; E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 3.03Å; E51-S54 PolarHBondContact O-N 3.22Å; E51-I55 WeakPolarHBondContact O-CG1 3.18Å; E51-I55 PolarHBondContact O-N 3.07Å; E51-F106 HydrophobicContact CB-CE1 3.76Å; E51-F106 HydrophobicContact CB-CZ 3.8Å; E51-F106 HydrophobicContact CG-CE1 3.92Å; E51-F106 HydrophobicContact CG-CZ 4.41Å |
| 52 | V | 92.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -36.2 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | M47 Q48 S54 I55 I56 I76 R84 V86 | M47-V52 HydrophobicContact CB-CG2 3.43Å; M47-V52 VanDerWaalsContact CB-CG2 3.43Å; M47-V52 HydrophobicContact CG-CG2 4.39Å; M47-V52 HydrophobicContact SD-CG2 4.11Å; Q48-V52 WeakPolarHBondContact O-CG2 3.23Å; Q48-V52 PolarHBondContact O-N 3.47Å; V52-S54 VanDerWaalsContact C-N 3.3Å; V52-S54 PolarHBondContact O-N 3.37Å; V52-I55 PolarHBondContact O-N 2.96Å; V52-I56 HydrophobicContact CG1-CD1 3.74Å; V52-I56 HydrophobicContact CG1-CG1 4.18Å; V52-I56 VanDerWaalsContact O-CG1 3.27Å; V52-I56 WeakPolarHBondContact O-CG1 3.4Å; V52-I56 PolarHBondContact O-N 3.17Å; V52-I76 HydrophobicContact CG1-CD1 4.33Å; V52-I76 HydrophobicContact CG1-CG2 3.77Å; V52-R84 HydrophobicContact CG2-CB 4.18Å; V52-V86 HydrophobicContact CG2-CG2 4.04Å |
| 53 | G | 91.4 | Very high | 92.5 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.5 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | G49 E51 G57 | G49-G53 PolarHBondContact O-N 3.05Å; E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 3.03Å; G53-G57 PolarHBondContact O-N 3.48Å |
| 54 | S | 91.3 | Very high | 92.6 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 175.2 | 175.9 | 0 | 0 | 0 | 0 | 112.9 | K50 E51 V52 I56 G57 D109 | K50-S54 PolarHBondContact O-N 3.01Å; E51-S54 PolarHBondContact O-N 3.22Å; V52-S54 VanDerWaalsContact C-N 3.3Å; V52-S54 PolarHBondContact O-N 3.37Å; S54-I56 VanDerWaalsContact C-N 3.28Å; S54-I56 PolarHBondContact O-N 3.17Å; S54-G57 WeakPolarHBondContact O-CA 3.08Å; S54-G57 PolarHBondContact O-N 3.08Å; S54-D109 WeakPolarHBondContact CB-OD2 3.32Å; S54-D109 VanDerWaalsContact OG-CG 3.23Å; S54-D109 PolarHBondContact OG-OD1 3.22Å; S54-D109 PolarHBondContact OG-OD2 3.28Å |
| 55 | I | 93.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 177.9 | -60.1 | 168.3 | 0 | 0 | 0 | 110.7 | M47 E51 V52 G57 H62 I63 I66 I102 F106 | M47-I55 HydrophobicContact CE-CD1 3.73Å; M47-I55 HydrophobicContact SD-CD1 3.37Å; M47-I55 WeakPolarHBondContact SD-CD1 3.35Å; E51-I55 WeakPolarHBondContact O-CG1 3.18Å; E51-I55 PolarHBondContact O-N 3.07Å; V52-I55 PolarHBondContact O-N 2.96Å; I55-G57 VanDerWaalsContact C-N 3.33Å; I55-H62 PolarHBondContact O-ND1 2.74Å; I55-H62 VanDerWaalsContact O-ND1 3.08Å; I55-I63 HydrophobicContact CG2-CD1 4.25Å; I55-I66 HydrophobicContact CG2-CD1 4.28Å; I55-I102 HydrophobicContact CD1-CG2 3.98Å; I55-I102 HydrophobicContact CG1-CG2 4.17Å; I55-I102 HydrophobicContact CG2-CG1 4.22Å; I55-F106 HydrophobicContact CD1-CE2 3.56Å; I55-F106 HydrophobicContact CD1-CZ 3.84Å; I55-F106 HydrophobicContact CG1-CE2 3.72Å; I55-F106 HydrophobicContact CG1-CZ 4.18Å |
| 56 | I | 93.5 | Very high | 92.7 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62 | -44.2 | 174.6 | -67.2 | 169.9 | 0 | 0 | 0 | 110.5 | V52 S54 G60 H62 I63 I76 | V52-I56 HydrophobicContact CG1-CD1 3.74Å; V52-I56 HydrophobicContact CG1-CG1 4.18Å; V52-I56 VanDerWaalsContact O-CG1 3.27Å; V52-I56 WeakPolarHBondContact O-CG1 3.4Å; V52-I56 PolarHBondContact O-N 3.17Å; S54-I56 VanDerWaalsContact C-N 3.28Å; S54-I56 PolarHBondContact O-N 3.17Å; I56-G60 CarbonylContact O-C 3.56Å; I56-G60 VanDerWaalsContact O-CA 3.31Å; I56-G60 WeakPolarHBondContact O-CA 3.39Å; I56-H62 PolarHBondContact O-N 3.1Å; I56-I63 HydrophobicContact CB-CG2 4.44Å; I56-I63 HydrophobicContact CG2-CG2 4.14Å; I56-I63 PolarHBondContact O-N 3.4Å; I56-I76 HydrophobicContact CD1-CD1 3.86Å; I56-I76 HydrophobicContact CG1-CD1 3.53Å |
| 57 | G | 91.5 | Very high | 92.9 | Very high | 23 Ų | 23 | 63 Ų | 63 | 24% | 0.237 | 32% | 0.317 | C | S | . | . | trans | 74.8 | 171.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | G53 S54 I55 K59 G60 | G53-G57 PolarHBondContact O-N 3.48Å; S54-G57 WeakPolarHBondContact O-CA 3.08Å; S54-G57 PolarHBondContact O-N 3.08Å; I55-G57 VanDerWaalsContact C-N 3.33Å; G57-K59 PolarHBondContact O-N 2.58Å; G57-G60 PolarHBondContact O-N 2.95Å | ||
| 58 | K | 92.1 | Very high | 93.1 | Very high | 192 Ų | 192 | 67.2 Ų | 67.2 | 84% | 0.835 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -60.4 | 130.3 | 176.6 | -62.3 | 176.6 | -176.6 | 175.3 | 0 | 108.7 | G60 E61 | K58-G60 PolarHBondContact O-N 3.28Å; K58-G60 VanDerWaalsContact O-N 3.12Å; K58-E61 PolarHBondContact O-N 2.98Å |
| 59 | K | 92.7 | Very high | 93.3 | Very high | 212 Ų | 212 | 68 Ų | 68 | 92% | 0.922 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | 61.1 | 11.4 | -177.4 | -54.5 | 178.1 | 178 | 176.9 | 0 | 116.1 | G57 E61 | G57-K59 PolarHBondContact O-N 2.58Å; K59-E61 PolarHBondContact O-N 2.68Å |
| 60 | G | 92.7 | Very high | 93.6 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | 69.3 | 12.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I56 G57 K58 H62 I63 K64 | I56-G60 CarbonylContact O-C 3.56Å; I56-G60 VanDerWaalsContact O-CA 3.31Å; I56-G60 WeakPolarHBondContact O-CA 3.39Å; G57-G60 PolarHBondContact O-N 2.95Å; K58-G60 PolarHBondContact O-N 3.28Å; K58-G60 VanDerWaalsContact O-N 3.12Å; G60-H62 VanDerWaalsContact C-N 3.33Å; G60-I63 VanDerWaalsContact O-CG2 3.23Å; G60-I63 WeakPolarHBondContact O-CG2 3.45Å; G60-K64 PolarHBondContact O-N 3.36Å |
| 61 | E | 94.7 | Very high | 93.9 | Very high | 127 Ų | 127 | 67 Ų | 67 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.4 | -41.5 | -179.1 | -179.6 | 173.2 | -170.8 | 0 | 0 | 111.1 | K58 K59 K64 I65 | K58-E61 PolarHBondContact O-N 2.98Å; K59-E61 PolarHBondContact O-N 2.68Å; E61-K64 VanDerWaalsContact O-CB 3.31Å; E61-K64 WeakPolarHBondContact O-CB 3.5Å; E61-K64 PolarHBondContact O-N 3.14Å; E61-I65 HydrophobicContact CG-CD1 4.25Å; E61-I65 WeakPolarHBondContact O-CG1 3.34Å; E61-I65 PolarHBondContact O-N 3.2Å |
| 62 | H | 94.8 | Very high | 94 | Very high | 26 Ų | 26 | 65.4 Ų | 65.4 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.1 | -44.8 | -174.9 | -178 | -129.9 | 0 | 0 | 0 | 112.4 | I55 I56 G60 K64 I65 I66 K105 | I55-H62 PolarHBondContact O-ND1 2.74Å; I55-H62 VanDerWaalsContact O-ND1 3.08Å; I56-H62 PolarHBondContact O-N 3.1Å; G60-H62 VanDerWaalsContact C-N 3.33Å; H62-K64 PolarHBondContact O-N 3Å; H62-I65 WeakPolarHBondContact O-CB 3.4Å; H62-I65 PolarHBondContact O-N 2.96Å; H62-I66 VanDerWaalsContact CE1-CD1 3.45Å; H62-I66 WeakPolarHBondContact CE1-CD1 3.42Å; H62-I66 WeakPolarHBondContact O-CG1 3.2Å; H62-I66 PolarHBondContact O-N 3.37Å; H62-K105 WeakPolarHBondContact CD2-CE 3.38Å; H62-K105 WeakPolarHBondContact CE1-CD 3.32Å; H62-K105 VanDerWaalsContact CE1-CE 3.42Å; H62-K105 WeakPolarHBondContact CE1-CE 3.33Å; H62-K105 WeakPolarHBondContact CE1-CG 3.27Å; H62-K105 WeakPolarHBondContact NE2-CD 3.13Å; H62-K105 WeakPolarHBondContact NE2-CE 3.4Å; H62-K105 VanDerWaalsContact NE2-CG 3.34Å; H62-K105 WeakPolarHBondContact NE2-CG 3.45Å |
| 63 | I | 95.2 | Very high | 94.1 | Very high | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.2 | -27.7 | 173.4 | -172.3 | 62.2 | 0 | 0 | 0 | 112.5 | I55 I56 G60 I66 R67 I74 I76 | I55-I63 HydrophobicContact CG2-CD1 4.25Å; I56-I63 HydrophobicContact CB-CG2 4.44Å; I56-I63 HydrophobicContact CG2-CG2 4.14Å; I56-I63 PolarHBondContact O-N 3.4Å; G60-I63 VanDerWaalsContact O-CG2 3.23Å; G60-I63 WeakPolarHBondContact O-CG2 3.45Å; I63-I66 HydrophobicContact CD1-CB 4.45Å; I63-I66 HydrophobicContact CD1-CD1 4.5Å; I63-R67 VanDerWaalsContact CG1-CZ 3.42Å; I63-R67 VanDerWaalsContact O-CG 3.32Å; I63-R67 WeakPolarHBondContact O-CG 3.05Å; I63-R67 PolarHBondContact O-N 2.85Å; I63-R67 VanDerWaalsContact O-N 3.07Å; I63-I74 HydrophobicContact CD1-CB 4.38Å; I63-I74 HydrophobicContact CD1-CD1 4.18Å; I63-I74 HydrophobicContact CD1-CG2 3.92Å; I63-I76 HydrophobicContact CG1-CD1 4.34Å |
| 64 | K | 95.6 | Very high | 94.3 | Very high | 130 Ų | 130 | 71.3 Ų | 71.3 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.7 | -49.4 | 172.5 | -173.2 | -174.7 | 174.5 | -170.4 | 0 | 110.5 | G60 E61 H62 I66 R67 D68 | G60-K64 PolarHBondContact O-N 3.36Å; E61-K64 VanDerWaalsContact O-CB 3.31Å; E61-K64 WeakPolarHBondContact O-CB 3.5Å; E61-K64 PolarHBondContact O-N 3.14Å; H62-K64 PolarHBondContact O-N 3Å; K64-I66 VanDerWaalsContact C-N 3.31Å; K64-I66 PolarHBondContact O-N 3.34Å; K64-R67 PolarHBondContact O-N 3.45Å; K64-R67 VanDerWaalsContact O-N 3.11Å; K64-D68 VanDerWaalsContact O-CG 3.28Å; K64-D68 PolarHBondContact O-N 3.23Å |
| 65 | I | 96.1 | Very high | 94.5 | Very high | 67 Ų | 67 | 75 Ų | 75 | 34% | 0.344 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56 | -45.7 | 175 | -64.5 | 164.3 | 0 | 0 | 0 | 110.9 | E61 H62 R67 D68 E69 | E61-I65 HydrophobicContact CG-CD1 4.25Å; E61-I65 WeakPolarHBondContact O-CG1 3.34Å; E61-I65 PolarHBondContact O-N 3.2Å; H62-I65 WeakPolarHBondContact O-CB 3.4Å; H62-I65 PolarHBondContact O-N 2.96Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 3.48Å; I65-D68 PolarHBondContact O-N 2.83Å; I65-E69 HydrophobicContact CG2-CG 4.13Å; I65-E69 WeakPolarHBondContact CG2-OE1 3.21Å; I65-E69 WeakPolarHBondContact O-CB 3.46Å; I65-E69 PolarHBondContact O-N 2.96Å |
| 66 | I | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 178.5 | -64.8 | 174.1 | 0 | 0 | 0 | 110.9 | I55 H62 I63 K64 S70 I74 A98 M101 I102 | I55-I66 HydrophobicContact CG2-CD1 4.28Å; H62-I66 VanDerWaalsContact CE1-CD1 3.45Å; H62-I66 WeakPolarHBondContact CE1-CD1 3.42Å; H62-I66 WeakPolarHBondContact O-CG1 3.2Å; H62-I66 PolarHBondContact O-N 3.37Å; I63-I66 HydrophobicContact CD1-CB 4.45Å; I63-I66 HydrophobicContact CD1-CD1 4.5Å; K64-I66 VanDerWaalsContact C-N 3.31Å; K64-I66 PolarHBondContact O-N 3.34Å; I66-S70 WeakPolarHBondContact O-CB 3.37Å; I66-S70 PolarHBondContact O-N 2.92Å; I66-S70 PolarHBondContact O-OG 3.26Å; I66-I74 HydrophobicContact CB-CD1 4.35Å; I66-I74 HydrophobicContact CG2-CD1 3.35Å; I66-A98 HydrophobicContact CG2-CB 4.29Å; I66-M101 HydrophobicContact CB-CE 4.12Å; I66-M101 HydrophobicContact CB-SD 4.45Å; I66-M101 HydrophobicContact CD1-CB 4.4Å; I66-M101 HydrophobicContact CG1-CB 3.96Å; I66-M101 HydrophobicContact CG1-CE 4.4Å; I66-M101 HydrophobicContact CG1-SD 4.19Å; I66-M101 HydrophobicContact CG2-CE 3.8Å; I66-M101 WeakPolarHBondContact O-CE 3.41Å; I66-I102 HydrophobicContact CD1-CG1 4.06Å |
| 67 | R | 95.5 | Very high | 94.3 | Very high | 91 Ų | 91 | 75.7 Ų | 75.7 | 34% | 0.343 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 178.3 | -71.8 | 178.2 | -169.9 | 117.5 | -2.6 | 111.7 | I63 K64 I65 M71 I74 | I63-R67 VanDerWaalsContact CG1-CZ 3.42Å; I63-R67 VanDerWaalsContact O-CG 3.32Å; I63-R67 WeakPolarHBondContact O-CG 3.05Å; I63-R67 PolarHBondContact O-N 2.85Å; I63-R67 VanDerWaalsContact O-N 3.07Å; K64-R67 PolarHBondContact O-N 3.45Å; K64-R67 VanDerWaalsContact O-N 3.11Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 3.48Å; R67-M71 WeakPolarHBondContact O-CA 3.41Å; R67-M71 PolarHBondContact O-N 3.22Å; R67-M71 VanDerWaalsContact O-N 3.1Å; R67-I74 HydrophobicContact CG-CB 4.06Å; R67-I74 HydrophobicContact CG-CD1 4.11Å; R67-I74 HydrophobicContact CG-CG1 4.25Å; R67-I74 PolarHBondContact NE-O 3.39Å; R67-I74 PolarHBondContact NH2-O 3.46Å |
| 68 | D | 96.1 | Very high | 93.9 | Very high | 92 Ų | 92 | 81.3 Ų | 81.3 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.5 | -43.7 | -177.9 | -65.2 | -14.9 | 0 | 0 | 0 | 111.2 | K64 I65 M71 | K64-D68 VanDerWaalsContact O-CG 3.28Å; K64-D68 PolarHBondContact O-N 3.23Å; I65-D68 PolarHBondContact O-N 2.83Å; D68-M71 VanDerWaalsContact O-CE 3.28Å; D68-M71 WeakPolarHBondContact O-CE 2.93Å |
| 69 | E | 96.2 | Very high | 93.1 | Very high | 99 Ų | 99 | 74 Ų | 74 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -77.4 | -40.3 | -178.9 | -74.8 | -168.5 | -162.7 | 0 | 0 | 113.6 | I65 M71 K97 M101 | I65-E69 HydrophobicContact CG2-CG 4.13Å; I65-E69 WeakPolarHBondContact CG2-OE1 3.21Å; I65-E69 WeakPolarHBondContact O-CB 3.46Å; I65-E69 PolarHBondContact O-N 2.96Å; E69-M71 VanDerWaalsContact C-N 3.31Å; E69-K97 WeakPolarHBondContact O-CD 3.43Å; E69-K97 WeakPolarHBondContact O-CE 3.48Å; E69-K97 PolarHBondContact O-NZ 3.33Å; E69-M101 HydrophobicContact CB-CE 3.87Å; E69-M101 HydrophobicContact CB-SD 3.78Å; E69-M101 HydrophobicContact CG-SD 4.44Å; E69-M101 VanDerWaalsContact OE2-SD 3.33Å |
| 70 | S | 95 | Very high | 92.3 | Very high | 4 Ų | 4 | 68.2 Ų | 68.2 | 3% | 0.028 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -77.2 | -20.9 | -179.1 | 65.6 | 0 | 0 | 0 | 0 | 112.8 | I66 A72 A94 | I66-S70 WeakPolarHBondContact O-CB 3.37Å; I66-S70 PolarHBondContact O-N 2.92Å; I66-S70 PolarHBondContact O-OG 3.26Å; S70-A72 PolarHBondContact O-N 2.48Å; S70-A72 VanDerWaalsContact O-N 3.14Å; S70-A72 WeakPolarHBondContact OG-CB 3.27Å; S70-A72 PolarHBondContact OG-N 3.3Å; S70-A94 WeakPolarHBondContact O-CA 3.47Å; S70-A94 WeakPolarHBondContact O-CB 3.33Å |
| 71 | M | 93.8 | Very high | 91.4 | Very high | 162 Ų | 162 | 67.8 Ų | 67.8 | 80% | 0.798 | 35% | 0.35 | S | S | * | . | trans | 55.1 | 21.8 | -168.7 | -57.4 | -70.4 | 178.2 | 0 | 0 | 112.6 | R67 D68 E69 | R67-M71 WeakPolarHBondContact O-CA 3.41Å; R67-M71 PolarHBondContact O-N 3.22Å; R67-M71 VanDerWaalsContact O-N 3.1Å; D68-M71 VanDerWaalsContact O-CE 3.28Å; D68-M71 WeakPolarHBondContact O-CE 2.93Å; E69-M71 VanDerWaalsContact C-N 3.31Å | ||
| 72 | A | 94 | Very high | 91 | Very high | 6 Ų | 6 | 66.4 Ų | 66.4 | 5% | 0.05 | 35% | 0.352 | C | S | . | . | trans | -96.5 | 142.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S70 I74 I88 A94 A98 | S70-A72 PolarHBondContact O-N 2.48Å; S70-A72 VanDerWaalsContact O-N 3.14Å; S70-A72 WeakPolarHBondContact OG-CB 3.27Å; S70-A72 PolarHBondContact OG-N 3.3Å; A72-I74 HydrophobicContact CB-CG1 4.44Å; A72-I74 PolarHBondContact O-N 3.36Å; A72-I88 HydrophobicContact CB-CG2 4.04Å; A72-A94 HydrophobicContact CB-CB 4.11Å; A72-A98 HydrophobicContact CB-CB 4.47Å | ||
| 73 | K | 95.2 | Very high | 90.6 | Very high | 157 Ų | 157 | 67.5 Ų | 67.5 | 68% | 0.683 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 108.1 | 173.1 | -176.8 | 175.6 | -176.4 | 175.5 | 0 | 109.1 | T89 | K73-T89 PolarHBondContact N-O 3.06Å; K73-T89 PolarHBondContact O-N 3.45Å |
| 74 | I | 95.6 | Very high | 90.5 | Very high | 8 Ų | 8 | 70.7 Ų | 70.7 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 114.2 | -179.4 | -52.4 | 170.3 | 0 | 0 | 0 | 110.5 | I63 I66 R67 A72 V86 T87 I88 A98 | I63-I74 HydrophobicContact CD1-CB 4.38Å; I63-I74 HydrophobicContact CD1-CD1 4.18Å; I63-I74 HydrophobicContact CD1-CG2 3.92Å; I66-I74 HydrophobicContact CB-CD1 4.35Å; I66-I74 HydrophobicContact CG2-CD1 3.35Å; R67-I74 HydrophobicContact CG-CB 4.06Å; R67-I74 HydrophobicContact CG-CD1 4.11Å; R67-I74 HydrophobicContact CG-CG1 4.25Å; R67-I74 PolarHBondContact NE-O 3.39Å; R67-I74 PolarHBondContact NH2-O 3.46Å; A72-I74 HydrophobicContact CB-CG1 4.44Å; A72-I74 PolarHBondContact O-N 3.36Å; I74-V86 HydrophobicContact CG2-CG1 3.89Å; I74-T87 CarbonylContact C-O 3.56Å; I74-T87 WeakPolarHBondContact CA-O 3.38Å; I74-I88 HydrophobicContact CG1-CG1 4.32Å; I74-I88 HydrophobicContact CG1-CG2 4.21Å; I74-I88 HydrophobicContact CG2-CG1 4.29Å; I74-A98 HydrophobicContact CD1-CB 4.31Å |
| 75 | N | 94.8 | Very high | 90.3 | Very high | 101 Ų | 101 | 64.9 Ų | 64.9 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 140.2 | 176.2 | -167 | -5.7 | 0 | 0 | 0 | 110.3 | V86 T87 | N75-V86 CarbonylContact O-C 3.49Å; N75-V86 WeakPolarHBondContact O-CA 3.27Å; N75-T87 PolarHBondContact N-O 3.47Å; N75-T87 PolarHBondContact O-N 3.35Å |
| 76 | I | 93.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 61.8 Ų | 61.8 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.3 | 179.8 | -57.3 | 175.7 | 0 | 0 | 0 | 106.9 | V52 I56 I63 V86 | V52-I76 HydrophobicContact CG1-CD1 4.33Å; V52-I76 HydrophobicContact CG1-CG2 3.77Å; I56-I76 HydrophobicContact CD1-CD1 3.86Å; I56-I76 HydrophobicContact CG1-CD1 3.53Å; I63-I76 HydrophobicContact CG1-CD1 4.34Å; I76-V86 HydrophobicContact CG1-CG1 4.45Å; I76-V86 HydrophobicContact CG1-CG2 4.39Å |
| 77 | S | 89.2 | Confident | 90.2 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | trans | -63.8 | 158.7 | 178.5 | 74.4 | 0 | 0 | 0 | 0 | 112.2 | I85 | S77-I85 PolarHBondContact N-O 3.38Å; S77-I85 PolarHBondContact OG-N 3.24Å | ||
| 78 | D | 83.2 | Confident | 90.2 | Very high | 141 Ų | 141 | 59 Ų | 59 | 75% | 0.754 | 32% | 0.321 | S | S | * | . | trans | -56.4 | 150.6 | 179.8 | -60.9 | -47.6 | 0 | 0 | 0 | 113.1 | S80 | D78-S80 VanDerWaalsContact C-N 3.3Å; D78-S80 PolarHBondContact O-N 3.34Å | ||
| 79 | G | 74.8 | Confident | 90.1 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 38% | 0.381 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 12 | -170 | 0 | 0 | 0 | 0 | 0 | 117.4 | C81 | G79-C81 PolarHBondContact O-N 3.38Š|
| 80 | S | 76.4 | Confident | 90 | Very high | 91 Ų | 91 | 51.9 Ų | 51.9 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.6 | -176.9 | -168.9 | 0 | 0 | 0 | 0 | 113 | D78 | D78-S80 VanDerWaalsContact C-N 3.3Å; D78-S80 PolarHBondContact O-N 3.34Å |
| 81 | C | 74.7 | Confident | 89.9 | Confident | 13 Ų | 13 | 54 Ų | 54 | 9% | 0.088 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -109.7 | 145.5 | -178.3 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | G79 E83 P204 P206 | G79-C81 PolarHBondContact O-N 3.38Å; C81-E83 VanDerWaalsContact CB-O 3.28Å; C81-E83 WeakPolarHBondContact CB-O 3.32Å; C81-E83 PolarHBondContact O-N 2.85Å; C81-P204 HydrophobicContact CB-CB 3.96Å; C81-P204 HydrophobicContact CB-CG 4.18Å; C81-P204 PolarHBondContact SG-O 2.82Å; C81-P204 VanDerWaalsContact SG-O 3.38Å; C81-P206 VanDerWaalsContact SG-CA 3.5Å |
| 82 | P | 84.8 | Confident | 89.8 | Confident | 98 Ų | 98 | 48.8 Ų | 48.8 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -62.5 | -26.9 | 175.2 | 26.3 | -34.3 | 0 | 0 | 0 | 111.9 | G49 | G49-P82 PolarHBondContact N-O 3.27Š|
| 83 | E | 88.1 | Confident | 89.8 | Confident | 50 Ų | 50 | 54 Ų | 54 | 23% | 0.234 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.1 | 169.3 | -60.4 | -171.1 | 143.8 | 0 | 0 | 110.3 | L46 M47 C81 R125 | L46-E83 HydrophobicContact CD1-CB 3.96Å; M47-E83 CarbonylContact O-C 3.51Å; M47-E83 WeakPolarHBondContact O-CA 3.5Å; C81-E83 VanDerWaalsContact CB-O 3.28Å; C81-E83 WeakPolarHBondContact CB-O 3.32Å; C81-E83 PolarHBondContact O-N 2.85Å; E83-R125 IonicContact OE1-CZ 2.69Å; E83-R125 IonicContact OE1-NH1 3.13Å; E83-R125 PolarHBondContact OE1-NH1 2.97Å |
| 84 | R | 91.5 | Very high | 89.8 | Confident | 73 Ų | 73 | 46.9 Ų | 46.9 | 28% | 0.275 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 149.4 | 177.8 | -62.8 | 178.5 | -173.4 | -132.1 | 7.6 | 110 | M47 V52 | M47-R84 PolarHBondContact N-O 3.12Å; M47-R84 PolarHBondContact O-N 3.17Å; V52-R84 HydrophobicContact CG2-CB 4.18Å |
| 85 | I | 92.5 | Very high | 89.7 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.5 | 178 | -57.1 | -179 | 0 | 0 | 0 | 108.9 | R44 L45 L46 S77 I127 Y202 | R44-I85 HydrophobicContact CB-CG2 4.26Å; L45-I85 CarbonylContact O-C 3.52Å; L45-I85 VanDerWaalsContact O-CA 3.24Å; L45-I85 WeakPolarHBondContact O-CA 3.36Å; L46-I85 HydrophobicContact CD1-CG1 4.02Å; S77-I85 PolarHBondContact N-O 3.38Å; S77-I85 PolarHBondContact OG-N 3.24Å; I85-I127 HydrophobicContact CD1-CD1 3.95Å; I85-I127 HydrophobicContact CG1-CD1 4.12Å; I85-I127 HydrophobicContact CG2-CD1 4.21Å; I85-Y202 HydrophobicContact CD1-CD1 3.94Å; I85-Y202 VanDerWaalsContact CD1-O 3.31Å; I85-Y202 WeakPolarHBondContact CD1-O 3.49Å |
| 86 | V | 94.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 115 | 171.2 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | L45 M47 V52 I74 N75 I76 I88 | L45-V86 HydrophobicContact CB-CB 4.31Å; L45-V86 PolarHBondContact N-O 3.06Å; L45-V86 PolarHBondContact O-N 3.18Å; M47-V86 HydrophobicContact SD-CB 4.42Å; M47-V86 HydrophobicContact SD-CG2 3.79Å; V52-V86 HydrophobicContact CG2-CG2 4.04Å; I74-V86 HydrophobicContact CG2-CG1 3.89Å; N75-V86 CarbonylContact O-C 3.49Å; N75-V86 WeakPolarHBondContact O-CA 3.27Å; I76-V86 HydrophobicContact CG1-CG1 4.45Å; I76-V86 HydrophobicContact CG1-CG2 4.39Å; V86-I88 HydrophobicContact CG1-CG1 4.22Å |
| 87 | T | 94.8 | Very high | 89.8 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 20% | 0.202 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 119 | 179.3 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | T42 I43 R44 I74 N75 | T42-T87 HydrophobicContact CG2-CG2 3.51Å; I43-T87 CarbonylContact O-C 3.53Å; I43-T87 WeakPolarHBondContact O-CA 3.46Å; R44-T87 HydrophobicContact CG-CG2 4.08Å; I74-T87 CarbonylContact C-O 3.56Å; I74-T87 WeakPolarHBondContact CA-O 3.38Å; N75-T87 PolarHBondContact N-O 3.47Å; N75-T87 PolarHBondContact O-N 3.35Å |
| 88 | I | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.1 | 179.2 | -52.4 | 176.7 | 0 | 0 | 0 | 107.8 | I43 L45 A72 I74 V86 I95 A98 F99 I102 | I43-I88 PolarHBondContact N-O 3.37Å; I43-I88 PolarHBondContact O-N 2.96Å; L45-I88 HydrophobicContact CD1-CD1 4.07Å; A72-I88 HydrophobicContact CB-CG2 4.04Å; I74-I88 HydrophobicContact CG1-CG1 4.32Å; I74-I88 HydrophobicContact CG1-CG2 4.21Å; I74-I88 HydrophobicContact CG2-CG1 4.29Å; V86-I88 HydrophobicContact CG1-CG1 4.22Å; I88-I95 HydrophobicContact CG2-CG1 4.05Å; I88-A98 HydrophobicContact CG2-CB 4.35Å; I88-F99 HydrophobicContact CD1-CE2 4.22Å; I88-F99 HydrophobicContact CD1-CZ 4.3Å; I88-I102 HydrophobicContact CD1-CD1 3.88Å |
| 89 | T | 94.2 | Very high | 90.6 | Very high | 31 Ų | 31 | 37.1 Ų | 37.1 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.5 | -179.6 | -58.9 | 0 | 0 | 0 | 0 | 110.1 | V40 Q41 T42 K73 | V40-T89 HydrophobicContact CG1-CG2 3.32Å; Q41-T89 VanDerWaalsContact O-CA 3.32Å; Q41-T89 WeakPolarHBondContact O-CA 3.45Å; T42-T89 WeakPolarHBondContact CG2-OG1 3.5Å; T42-T89 VanDerWaalsContact OG1-CG2 3.31Å; T42-T89 WeakPolarHBondContact OG1-CG2 3.49Å; T42-T89 PolarHBondContact OG1-OG1 3.39Å; K73-T89 PolarHBondContact N-O 3.06Å; K73-T89 PolarHBondContact O-N 3.45Å |
| 90 | G | 93.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 40 Ų | 40 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | -169.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q41 I95 | Q41-G90 PolarHBondContact N-O 3.34Å; Q41-G90 PolarHBondContact O-N 3.03Å; G90-I95 WeakPolarHBondContact O-CD1 3.47Å |
| 91 | S | 93.5 | Very high | 92.4 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 34% | 0.336 | 19% | 0.19 | S | C | . | . | trans | -70.7 | 163.1 | 169.3 | 68.6 | 0 | 0 | 0 | 0 | 110.8 | H93 A94 I95 | S91-H93 PolarHBondContact O-N 2.99Å; S91-A94 PolarHBondContact O-N 3.19Å; S91-A94 VanDerWaalsContact O-N 3.14Å; S91-A94 WeakPolarHBondContact OG-CB 3.4Å; S91-A94 PolarHBondContact OG-N 3.36Å; S91-A94 VanDerWaalsContact OG-N 3.16Å; S91-I95 WeakPolarHBondContact O-CG1 3.41Å; S91-I95 PolarHBondContact O-N 3.13Å | ||
| 92 | I | 91.6 | Very high | 93.3 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 27% | 0.272 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -53.8 | -41 | 175.1 | -55.8 | 170.1 | 0 | 0 | 0 | 110.8 | N96 L188 L191 | I92-N96 WeakPolarHBondContact O-CB 3.29Å; I92-N96 PolarHBondContact O-N 3.46Å; I92-L188 HydrophobicContact CD1-CD2 3.77Å; I92-L191 HydrophobicContact CD1-CD1 3.37Å; I92-L191 HydrophobicContact CG1-CD1 3.43Å; I92-L191 VanDerWaalsContact CG1-CD1 3.43Å |
| 93 | H | 93.1 | Very high | 93.7 | Very high | 117 Ų | 117 | 31.7 Ų | 31.7 | 54% | 0.542 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.9 | -45.1 | 179.4 | -171.5 | 76.8 | 0 | 0 | 0 | 111.9 | S91 N96 K97 | S91-H93 PolarHBondContact O-N 2.99Å; H93-N96 PolarHBondContact O-N 2.93Å; H93-K97 WeakPolarHBondContact O-CB 3.37Å; H93-K97 PolarHBondContact O-N 3.4Å |
| 94 | A | 94.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S70 A72 S91 K97 A98 | S70-A94 WeakPolarHBondContact O-CA 3.47Å; S70-A94 WeakPolarHBondContact O-CB 3.33Å; A72-A94 HydrophobicContact CB-CB 4.11Å; S91-A94 PolarHBondContact O-N 3.19Å; S91-A94 VanDerWaalsContact O-N 3.14Å; S91-A94 WeakPolarHBondContact OG-CB 3.4Å; S91-A94 PolarHBondContact OG-N 3.36Å; S91-A94 VanDerWaalsContact OG-N 3.16Å; A94-K97 PolarHBondContact O-N 3.24Å; A94-A98 WeakPolarHBondContact O-CB 3.31Å; A94-A98 PolarHBondContact O-N 3.34Å |
| 95 | I | 94.5 | Very high | 94 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 177.2 | -67.3 | 168.3 | 0 | 0 | 0 | 110.5 | Q41 I43 I88 G90 S91 K97 A98 F99 | Q41-I95 HydrophobicContact CB-CD1 3.86Å; Q41-I95 HydrophobicContact CG-CD1 4.35Å; I43-I95 HydrophobicContact CG1-CD1 4.13Å; I43-I95 HydrophobicContact CG1-CG2 4.28Å; I88-I95 HydrophobicContact CG2-CG1 4.05Å; G90-I95 WeakPolarHBondContact O-CD1 3.47Å; S91-I95 WeakPolarHBondContact O-CG1 3.41Å; S91-I95 PolarHBondContact O-N 3.13Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.2Å; I95-A98 WeakPolarHBondContact O-CB 3.47Å; I95-A98 PolarHBondContact O-N 3.02Å; I95-F99 HydrophobicContact CG2-CD2 3.59Å; I95-F99 HydrophobicContact CG2-CE2 3.53Å; I95-F99 VanDerWaalsContact O-CD2 3.29Å; I95-F99 WeakPolarHBondContact O-CD2 3.5Å; I95-F99 PolarHBondContact O-N 3.44Å |
| 96 | N | 94.1 | Very high | 93.9 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 179.6 | -166.7 | 44.5 | 0 | 0 | 0 | 112.2 | I92 H93 F99 R100 I180 | I92-N96 WeakPolarHBondContact O-CB 3.29Å; I92-N96 PolarHBondContact O-N 3.46Å; H93-N96 PolarHBondContact O-N 2.93Å; N96-F99 PolarHBondContact O-N 2.9Å; N96-R100 PolarHBondContact O-N 3.46Å; N96-I180 WeakPolarHBondContact OD1-CG2 3.22Å |
| 97 | K | 95.2 | Very high | 93.6 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 36% | 0.361 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 174.2 | -170.1 | 173.1 | 177.9 | -169.4 | 0 | 111.6 | E69 H93 A94 I95 R100 M101 | E69-K97 WeakPolarHBondContact O-CD 3.43Å; E69-K97 WeakPolarHBondContact O-CE 3.48Å; E69-K97 PolarHBondContact O-NZ 3.33Å; H93-K97 WeakPolarHBondContact O-CB 3.37Å; H93-K97 PolarHBondContact O-N 3.4Å; A94-K97 PolarHBondContact O-N 3.24Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.2Å; K97-R100 PolarHBondContact O-N 2.82Å; K97-M101 HydrophobicContact CG-CE 4.34Å; K97-M101 PolarHBondContact O-N 3.16Å |
| 98 | A | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I66 A72 I74 I88 A94 I95 R100 M101 I102 | I66-A98 HydrophobicContact CG2-CB 4.29Å; A72-A98 HydrophobicContact CB-CB 4.47Å; I74-A98 HydrophobicContact CD1-CB 4.31Å; I88-A98 HydrophobicContact CG2-CB 4.35Å; A94-A98 WeakPolarHBondContact O-CB 3.31Å; A94-A98 PolarHBondContact O-N 3.34Å; I95-A98 WeakPolarHBondContact O-CB 3.47Å; I95-A98 PolarHBondContact O-N 3.02Å; A98-R100 VanDerWaalsContact C-N 3.32Å; A98-R100 PolarHBondContact O-N 3.07Å; A98-M101 PolarHBondContact O-N 3.14Å; A98-I102 VanDerWaalsContact O-CG1 3.27Å; A98-I102 WeakPolarHBondContact O-CG1 3.4Å; A98-I102 PolarHBondContact O-N 2.89Å |
| 99 | F | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | 177 | -89.3 | -74.8 | 0 | 0 | 0 | 112.7 | I43 L45 I88 I95 N96 M101 I102 C103 M183 | I43-F99 HydrophobicContact CG2-CE2 4.11Å; I43-F99 HydrophobicContact CG2-CZ 3.97Å; L45-F99 HydrophobicContact CD1-CE1 3.48Å; L45-F99 VanDerWaalsContact CD1-CE1 3.48Å; L45-F99 HydrophobicContact CD1-CZ 3.61Å; L45-F99 HydrophobicContact CD2-CE1 4.01Å; L45-F99 HydrophobicContact CD2-CZ 3.86Å; L45-F99 HydrophobicContact CG-CE1 4.28Å; L45-F99 HydrophobicContact CG-CZ 4.08Å; I88-F99 HydrophobicContact CD1-CE2 4.22Å; I88-F99 HydrophobicContact CD1-CZ 4.3Å; I95-F99 HydrophobicContact CG2-CD2 3.59Å; I95-F99 HydrophobicContact CG2-CE2 3.53Å; I95-F99 VanDerWaalsContact O-CD2 3.29Å; I95-F99 WeakPolarHBondContact O-CD2 3.5Å; I95-F99 PolarHBondContact O-N 3.44Å; N96-F99 PolarHBondContact O-N 2.9Å; F99-M101 PolarHBondContact O-N 3.22Å; F99-I102 PolarHBondContact O-N 2.93Å; F99-C103 WeakPolarHBondContact O-CB 3.48Å; F99-C103 PolarHBondContact O-N 2.95Å; F99-C103 PolarHBondContact O-SG 3.04Å; F99-M183 HydrophobicContact CD1-CG 4.12Å; F99-M183 HydrophobicContact CD2-CB 4.48Å; F99-M183 HydrophobicContact CD2-CG 4.5Å; F99-M183 HydrophobicContact CE1-CE 3.78Å; F99-M183 HydrophobicContact CE1-CG 4.07Å; F99-M183 HydrophobicContact CE1-SD 4.07Å; F99-M183 HydrophobicContact CE2-CG 4.47Å; F99-M183 HydrophobicContact CE2-SD 4.44Å; F99-M183 HydrophobicContact CG-CG 4.34Å; F99-M183 HydrophobicContact CZ-CE 4.11Å; F99-M183 HydrophobicContact CZ-CG 4.25Å; F99-M183 HydrophobicContact CZ-SD 3.92Å |
| 100 | R | 94.8 | Very high | 92.4 | Very high | 99 Ų | 99 | 43 Ų | 43 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 176.4 | -178.9 | 178.1 | -72.9 | 174.7 | -10.9 | 112.1 | N96 K97 A98 C103 K104 I180 | N96-R100 PolarHBondContact O-N 3.46Å; K97-R100 PolarHBondContact O-N 2.82Å; A98-R100 VanDerWaalsContact C-N 3.32Å; A98-R100 PolarHBondContact O-N 3.07Å; R100-C103 PolarHBondContact O-N 2.88Å; R100-K104 WeakPolarHBondContact O-CB 3.31Å; R100-K104 PolarHBondContact O-N 3.18Å; R100-I180 HydrophobicContact CB-CD1 4.04Å; R100-I180 HydrophobicContact CG-CD1 4.02Å |
| 101 | M | 94.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 176.8 | -69 | -174 | -78.4 | 0 | 0 | 112.1 | I66 E69 K97 A98 F99 K105 | I66-M101 HydrophobicContact CB-CE 4.12Å; I66-M101 HydrophobicContact CB-SD 4.45Å; I66-M101 HydrophobicContact CD1-CB 4.4Å; I66-M101 HydrophobicContact CG1-CB 3.96Å; I66-M101 HydrophobicContact CG1-CE 4.4Å; I66-M101 HydrophobicContact CG1-SD 4.19Å; I66-M101 HydrophobicContact CG2-CE 3.8Å; I66-M101 WeakPolarHBondContact O-CE 3.41Å; E69-M101 HydrophobicContact CB-CE 3.87Å; E69-M101 HydrophobicContact CB-SD 3.78Å; E69-M101 HydrophobicContact CG-SD 4.44Å; E69-M101 VanDerWaalsContact OE2-SD 3.33Å; K97-M101 HydrophobicContact CG-CE 4.34Å; K97-M101 PolarHBondContact O-N 3.16Å; A98-M101 PolarHBondContact O-N 3.14Å; F99-M101 PolarHBondContact O-N 3.22Å; M101-K105 PolarHBondContact O-N 3.39Å |
| 102 | I | 94.4 | Very high | 91 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.5 | -51.9 | 175.6 | -67.7 | 166.7 | 0 | 0 | 0 | 110.1 | I55 I66 I88 A98 F99 K104 K105 F106 F124 | I55-I102 HydrophobicContact CD1-CG2 3.98Å; I55-I102 HydrophobicContact CG1-CG2 4.17Å; I55-I102 HydrophobicContact CG2-CG1 4.22Å; I66-I102 HydrophobicContact CD1-CG1 4.06Å; I88-I102 HydrophobicContact CD1-CD1 3.88Å; A98-I102 VanDerWaalsContact O-CG1 3.27Å; A98-I102 WeakPolarHBondContact O-CG1 3.4Å; A98-I102 PolarHBondContact O-N 2.89Å; F99-I102 PolarHBondContact O-N 2.93Å; I102-K104 VanDerWaalsContact C-N 3.33Å; I102-K104 PolarHBondContact O-N 3.38Å; I102-K105 PolarHBondContact O-N 3.42Å; I102-F106 HydrophobicContact CG2-CD2 3.79Å; I102-F106 HydrophobicContact CG2-CE2 3.56Å; I102-F106 WeakPolarHBondContact O-CD2 3.37Å; I102-F106 PolarHBondContact O-N 3.12Å; I102-F106 VanDerWaalsContact O-N 3.12Å; I102-F124 HydrophobicContact CG2-CE1 3.84Å; I102-F124 HydrophobicContact CG2-CZ 3.98Å |
| 103 | C | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 179.7 | -70.8 | 0 | 0 | 0 | 0 | 112.4 | F99 R100 K105 F106 E107 A176 I180 | F99-C103 WeakPolarHBondContact O-CB 3.48Å; F99-C103 PolarHBondContact O-N 2.95Å; F99-C103 PolarHBondContact O-SG 3.04Å; R100-C103 PolarHBondContact O-N 2.88Å; C103-K105 PolarHBondContact O-N 3.16Å; C103-F106 PolarHBondContact O-N 2.71Å; C103-E107 PolarHBondContact O-N 2.58Å; C103-A176 HydrophobicContact CB-CB 3.86Å; C103-I180 HydrophobicContact CB-CD1 4.4Å |
| 104 | K | 92.4 | Very high | 89.4 | Confident | 126 Ų | 126 | 53.1 Ų | 53.1 | 55% | 0.548 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -54.4 | -37.5 | 176.7 | -176.5 | 179.1 | 176.6 | -178.3 | 0 | 111.9 | R100 I102 E107 E108 | R100-K104 WeakPolarHBondContact O-CB 3.31Å; R100-K104 PolarHBondContact O-N 3.18Å; I102-K104 VanDerWaalsContact C-N 3.33Å; I102-K104 PolarHBondContact O-N 3.38Å; K104-E107 WeakPolarHBondContact O-CB 3.4Å; K104-E107 PolarHBondContact O-N 3.45Å; K104-E108 WeakPolarHBondContact CE-OE1 3.08Å; K104-E108 WeakPolarHBondContact O-CG 3.45Å; K104-E108 PolarHBondContact O-N 3.32Å |
| 105 | K | 91.7 | Very high | 88.4 | Confident | 57 Ų | 57 | 61 Ų | 61 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -79.1 | -33.4 | -178 | -73.7 | -100.3 | -179 | -137.4 | 0 | 113.6 | H62 M101 I102 C103 E107 E108 D109 | H62-K105 WeakPolarHBondContact CD2-CE 3.38Å; H62-K105 WeakPolarHBondContact CE1-CD 3.32Å; H62-K105 VanDerWaalsContact CE1-CE 3.42Å; H62-K105 WeakPolarHBondContact CE1-CE 3.33Å; H62-K105 WeakPolarHBondContact CE1-CG 3.27Å; H62-K105 WeakPolarHBondContact NE2-CD 3.13Å; H62-K105 WeakPolarHBondContact NE2-CE 3.4Å; H62-K105 VanDerWaalsContact NE2-CG 3.34Å; H62-K105 WeakPolarHBondContact NE2-CG 3.45Å; M101-K105 PolarHBondContact O-N 3.39Å; I102-K105 PolarHBondContact O-N 3.42Å; C103-K105 PolarHBondContact O-N 3.16Å; K105-E107 VanDerWaalsContact C-N 3.3Å; K105-E108 WeakPolarHBondContact CD-OE2 3.48Å; K105-E108 WeakPolarHBondContact CE-OE2 3.29Å; K105-E108 IonicContact NZ-OE1 3.73Å; K105-E108 IonicContact NZ-OE2 2.68Å; K105-E108 PolarHBondContact NZ-OE2 3.25Å; K105-E108 PolarHBondContact O-N 3.29Å; K105-D109 PolarHBondContact O-N 3.03Å |
| 106 | F | 91 | Very high | 87.4 | Confident | 14 Ų | 14 | 68.8 Ų | 68.8 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 165.8 | -82.2 | -87.1 | 0 | 0 | 0 | 111.6 | M47 E51 I55 I102 C103 D109 Q110 I122 F124 | M47-F106 HydrophobicContact CE-CE2 4.3Å; M47-F106 HydrophobicContact CE-CZ 4.31Å; E51-F106 HydrophobicContact CB-CE1 3.76Å; E51-F106 HydrophobicContact CB-CZ 3.8Å; E51-F106 HydrophobicContact CG-CE1 3.92Å; E51-F106 HydrophobicContact CG-CZ 4.41Å; I55-F106 HydrophobicContact CD1-CE2 3.56Å; I55-F106 HydrophobicContact CD1-CZ 3.84Å; I55-F106 HydrophobicContact CG1-CE2 3.72Å; I55-F106 HydrophobicContact CG1-CZ 4.18Å; I102-F106 HydrophobicContact CG2-CD2 3.79Å; I102-F106 HydrophobicContact CG2-CE2 3.56Å; I102-F106 WeakPolarHBondContact O-CD2 3.37Å; I102-F106 PolarHBondContact O-N 3.12Å; I102-F106 VanDerWaalsContact O-N 3.12Å; C103-F106 PolarHBondContact O-N 2.71Å; F106-D109 PolarHBondContact O-N 3.06Å; F106-Q110 VanDerWaalsContact O-CG 3.27Å; F106-Q110 WeakPolarHBondContact O-CG 3.22Å; F106-Q110 PolarHBondContact O-N 2.78Å; F106-I122 HydrophobicContact CB-CD1 3.84Å; F106-I122 HydrophobicContact CB-CG1 4.16Å; F106-I122 HydrophobicContact CB-CG2 4.08Å; F106-I122 HydrophobicContact CD1-CG2 4.42Å; F106-I122 HydrophobicContact CG-CG2 4.21Å; F106-F124 HydrophobicContact CD2-CE1 4.31Å; F106-F124 AromaticContact CD2-CZ 3.96Å; F106-F124 HydrophobicContact CD2-CZ 3.96Å; F106-F124 AromaticContact CE2-CE1 3.84Å; F106-F124 HydrophobicContact CE2-CE1 3.84Å; F106-F124 AromaticContact CE2-CZ 3.98Å; F106-F124 HydrophobicContact CE2-CZ 3.98Å; F106-F124 HydrophobicContact CZ-CE1 4.38Å |
| 107 | E | 89.1 | Confident | 86.6 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.1 | -70.5 | -176.4 | 140.2 | 0 | 0 | 112.4 | C103 K104 K105 D109 Q110 Q111 I122 A176 | C103-E107 PolarHBondContact O-N 2.58Å; K104-E107 WeakPolarHBondContact O-CB 3.4Å; K104-E107 PolarHBondContact O-N 3.45Å; K105-E107 VanDerWaalsContact C-N 3.3Å; E107-D109 VanDerWaalsContact C-N 3.33Å; E107-D109 PolarHBondContact O-N 3.15Å; E107-Q110 PolarHBondContact O-N 2.8Å; E107-Q111 WeakPolarHBondContact O-CG 3.38Å; E107-Q111 PolarHBondContact O-N 3.26Å; E107-Q111 VanDerWaalsContact O-N 3.13Å; E107-I122 HydrophobicContact CG-CD1 3.54Å; E107-A176 HydrophobicContact CG-CB 4.13Å; E107-A176 WeakPolarHBondContact OE1-CB 3.36Å |
| 108 | E | 89.2 | Confident | 85.6 | Confident | 62 Ų | 62 | 73 Ų | 73 | 29% | 0.29 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 174.8 | -72.4 | 170.7 | -162.3 | 0 | 0 | 112.2 | K104 K105 Q111 | K104-E108 WeakPolarHBondContact CE-OE1 3.08Å; K104-E108 WeakPolarHBondContact O-CG 3.45Å; K104-E108 PolarHBondContact O-N 3.32Å; K105-E108 WeakPolarHBondContact CD-OE2 3.48Å; K105-E108 WeakPolarHBondContact CE-OE2 3.29Å; K105-E108 IonicContact NZ-OE1 3.73Å; K105-E108 IonicContact NZ-OE2 2.68Å; K105-E108 PolarHBondContact NZ-OE2 3.25Å; K105-E108 PolarHBondContact O-N 3.29Å; E108-Q111 PolarHBondContact O-N 2.85Å |
| 109 | D | 85.8 | Confident | 84.7 | Confident | 52 Ų | 52 | 78.8 Ų | 78.8 | 28% | 0.278 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.6 | -37 | 176.4 | -70.2 | -18 | 0 | 0 | 0 | 112.8 | S54 K105 F106 E107 Q111 Q112 | S54-D109 WeakPolarHBondContact CB-OD2 3.32Å; S54-D109 VanDerWaalsContact OG-CG 3.23Å; S54-D109 PolarHBondContact OG-OD1 3.22Å; S54-D109 PolarHBondContact OG-OD2 3.28Å; K105-D109 PolarHBondContact O-N 3.03Å; F106-D109 PolarHBondContact O-N 3.06Å; E107-D109 VanDerWaalsContact C-N 3.33Å; E107-D109 PolarHBondContact O-N 3.15Å; D109-Q111 PolarHBondContact O-N 2.76Å; D109-Q112 PolarHBondContact O-N 3.05Å |
| 110 | Q | 83.3 | Confident | 84 | Confident | 45 Ų | 45 | 82 Ų | 82 | 21% | 0.21 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.6 | -27 | 176.3 | -68 | -61.1 | -24.7 | 0 | 0 | 112.1 | F106 E107 Q112 V113 P120 | F106-Q110 VanDerWaalsContact O-CG 3.27Å; F106-Q110 WeakPolarHBondContact O-CG 3.22Å; F106-Q110 PolarHBondContact O-N 2.78Å; E107-Q110 PolarHBondContact O-N 2.8Å; Q110-Q112 VanDerWaalsContact C-N 3.33Å; Q110-V113 PolarHBondContact O-N 3.18Å; Q110-P120 VanDerWaalsContact OE1-CD 3.24Å; Q110-P120 VanDerWaalsContact OE1-CG 3.28Å |
| 111 | Q | 79.9 | Confident | 83.5 | Confident | 139 Ų | 139 | 81.2 Ų | 81.2 | 65% | 0.65 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -74.2 | -21.5 | 176.4 | -71.4 | 171.9 | 8 | 0 | 0 | 113.3 | E107 E108 D109 V113 | E107-Q111 WeakPolarHBondContact O-CG 3.38Å; E107-Q111 PolarHBondContact O-N 3.26Å; E107-Q111 VanDerWaalsContact O-N 3.13Å; E108-Q111 PolarHBondContact O-N 2.85Å; D109-Q111 PolarHBondContact O-N 2.76Å; Q111-V113 PolarHBondContact O-N 2.9Å |
| 112 | Q | 79.4 | Confident | 83.3 | Confident | 158 Ų | 158 | 80.6 Ų | 80.6 | 74% | 0.738 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -11.9 | 176.4 | -66.7 | 175.4 | 29.6 | 0 | 0 | 112.8 | D109 Q110 | D109-Q112 PolarHBondContact O-N 3.05Å; Q110-Q112 VanDerWaalsContact C-N 3.33Å |
| 113 | V | 74.5 | Confident | 83.2 | Confident | 54 Ų | 54 | 83.2 Ų | 83.2 | 33% | 0.327 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -79.3 | 128.9 | 175.1 | -175 | 0 | 0 | 0 | 0 | 109 | Q110 Q111 V117 | Q110-V113 PolarHBondContact O-N 3.18Å; Q111-V113 PolarHBondContact O-N 2.9Å; V113-V117 HydrophobicContact CG1-CB 4.28Å |
| 114 | P | 76.1 | Confident | 83.3 | Confident | 89 Ų | 89 | 83.3 Ų | 83.3 | 58% | 0.578 | 44% | 0.435 | S | S | * | . | trans | -58.7 | 140.7 | -179.1 | 23.4 | -33.7 | 0 | 0 | 0 | 111.7 | N116 V117 | P114-N116 PolarHBondContact O-N 2.94Å; P114-V117 PolarHBondContact O-N 2.82Å | ||
| 115 | E | 73.6 | Confident | 83.4 | Confident | 174 Ų | 174 | 80.9 Ų | 80.9 | 81% | 0.813 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -13.4 | -172.2 | -61.8 | -169.1 | 150.4 | 0 | 0 | 115.3 | V117 | E115-V117 PolarHBondContact O-N 2.81Š|
| 116 | N | 73.2 | Confident | 83.6 | Confident | 164 Ų | 164 | 78.3 Ų | 78.3 | 88% | 0.877 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -5.3 | 177.4 | -75.9 | -25.8 | 0 | 0 | 0 | 114.1 | P114 | P114-N116 PolarHBondContact O-N 2.94Š|
| 117 | V | 76.6 | Confident | 83.7 | Confident | 77 Ų | 77 | 78 Ų | 78 | 47% | 0.467 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -116.4 | 132.7 | 178.6 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | V113 P114 E115 K119 | V113-V117 HydrophobicContact CG1-CB 4.28Å; P114-V117 PolarHBondContact O-N 2.82Å; E115-V117 PolarHBondContact O-N 2.81Å; V117-K119 PolarHBondContact O-N 3.41Å; V117-K119 VanDerWaalsContact O-N 3.16Å |
| 118 | P | 74.9 | Confident | 83.9 | Confident | 117 Ų | 117 | 74.3 Ų | 74.3 | 76% | 0.76 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 121.6 | 173.3 | -24.1 | 32.8 | 0 | 0 | 0 | 111 | P120 | P118-P120 WeakPolarHBondContact O-CD 3.37Š|
| 119 | K | 76.4 | Confident | 84 | Confident | 123 Ų | 123 | 72.1 Ų | 72.1 | 54% | 0.535 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 117.3 | 179.5 | -66.7 | 174.9 | -176.9 | 170.3 | 0 | 109.5 | V117 | V117-K119 PolarHBondContact O-N 3.41Å; V117-K119 VanDerWaalsContact O-N 3.16Å |
| 120 | P | 79.8 | Confident | 84.3 | Confident | 68 Ų | 68 | 71 Ų | 71 | 44% | 0.442 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -67 | 143 | 177.2 | 27.2 | -33.8 | 0 | 0 | 0 | 110.5 | Q110 P118 | Q110-P120 VanDerWaalsContact OE1-CD 3.24Å; Q110-P120 VanDerWaalsContact OE1-CG 3.28Å; P118-P120 WeakPolarHBondContact O-CD 3.37Å |
| 121 | P | 84.8 | Confident | 84.6 | Confident | 82 Ų | 82 | 72 Ų | 72 | 53% | 0.532 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 149.4 | 175.3 | 28.4 | -34.4 | 0 | 0 | 0 | 110.4 | T123 | P121-T123 PolarHBondContact O-N 2.88Š|
| 122 | I | 90.3 | Very high | 85.2 | Confident | 12 Ų | 12 | 66 Ų | 66 | 6% | 0.062 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.9 | 175 | -59.2 | 172.1 | 0 | 0 | 0 | 108 | F106 E107 F124 S173 G174 I179 | F106-I122 HydrophobicContact CB-CD1 3.84Å; F106-I122 HydrophobicContact CB-CG1 4.16Å; F106-I122 HydrophobicContact CB-CG2 4.08Å; F106-I122 HydrophobicContact CD1-CG2 4.42Å; F106-I122 HydrophobicContact CG-CG2 4.21Å; E107-I122 HydrophobicContact CG-CD1 3.54Å; I122-F124 HydrophobicContact CG2-CD2 4.07Å; I122-F124 HydrophobicContact CG2-CE2 3.45Å; I122-F124 VanDerWaalsContact CG2-CE2 3.45Å; I122-F124 HydrophobicContact CG2-CZ 4.02Å; I122-S173 WeakPolarHBondContact O-CA 3.17Å; I122-G174 PolarHBondContact O-N 3.29Å; I122-I179 HydrophobicContact CB-CD1 3.86Å; I122-I179 HydrophobicContact CG2-CD1 3.91Å |
| 123 | T | 92.9 | Very high | 85.8 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.3 | 180 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | P121 I172 | P121-T123 PolarHBondContact O-N 2.88Å; T123-I172 CarbonylContact C-O 3.46Å; T123-I172 VanDerWaalsContact CA-O 3.31Å; T123-I172 WeakPolarHBondContact CA-O 3.42Å |
| 124 | F | 94.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.1 | 172.4 | -70.4 | -82.5 | 0 | 0 | 0 | 110.3 | L45 M47 I102 F106 I122 T171 I172 I179 M183 | L45-F124 HydrophobicContact CD1-CD1 4.49Å; M47-F124 HydrophobicContact CE-CD1 3.39Å; M47-F124 HydrophobicContact CE-CE1 3.35Å; I102-F124 HydrophobicContact CG2-CE1 3.84Å; I102-F124 HydrophobicContact CG2-CZ 3.98Å; F106-F124 HydrophobicContact CD2-CE1 4.31Å; F106-F124 AromaticContact CD2-CZ 3.96Å; F106-F124 HydrophobicContact CD2-CZ 3.96Å; F106-F124 AromaticContact CE2-CE1 3.84Å; F106-F124 HydrophobicContact CE2-CE1 3.84Å; F106-F124 AromaticContact CE2-CZ 3.98Å; F106-F124 HydrophobicContact CE2-CZ 3.98Å; F106-F124 HydrophobicContact CZ-CE1 4.38Å; I122-F124 HydrophobicContact CG2-CD2 4.07Å; I122-F124 HydrophobicContact CG2-CE2 3.45Å; I122-F124 VanDerWaalsContact CG2-CE2 3.45Å; I122-F124 HydrophobicContact CG2-CZ 4.02Å; F124-T171 CarbonylContact O-C 3.45Å; F124-T171 WeakPolarHBondContact O-CA 3.47Å; F124-I172 PolarHBondContact N-O 3.35Å; F124-I172 PolarHBondContact O-N 2.6Å; F124-I179 HydrophobicContact CD2-CD1 3.94Å; F124-I179 HydrophobicContact CD2-CG1 4.5Å; F124-I179 HydrophobicContact CD2-CG2 3.52Å; F124-I179 HydrophobicContact CE2-CD1 3.97Å; F124-I179 HydrophobicContact CE2-CG2 3.71Å; F124-M183 HydrophobicContact CB-CE 3.92Å; F124-M183 HydrophobicContact CG-CE 4.35Å |
| 125 | R | 94.6 | Very high | 87.4 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 108.4 | 171.6 | -62.6 | 171.5 | 68.5 | -157.4 | 2.4 | 109 | L45 L46 E83 V170 T171 | L45-R125 CarbonylContact C-O 3.59Å; L45-R125 WeakPolarHBondContact CA-O 3.42Å; L46-R125 HydrophobicContact CB-CB 4.14Å; L46-R125 PolarHBondContact N-O 2.68Å; L46-R125 WeakPolarHBondContact O-CB 3.31Å; E83-R125 IonicContact OE1-CZ 2.69Å; E83-R125 IonicContact OE1-NH1 3.13Å; E83-R125 PolarHBondContact OE1-NH1 2.97Å; R125-V170 CarbonylContact C-O 3.57Å; R125-T171 HydrophobicContact CG-CG2 4.2Å |
| 126 | L | 95 | Very high | 88.4 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 135.1 | 176.3 | 178.1 | 69.1 | 0 | 0 | 0 | 109.9 | I43 R44 L45 V128 A169 V170 I186 | I43-L126 HydrophobicContact CG2-CD1 3.5Å; I43-L126 VanDerWaalsContact CG2-CD1 3.5Å; R44-L126 WeakPolarHBondContact O-CD1 3.28Å; L45-L126 HydrophobicContact CD2-CB 4.41Å; L45-L126 HydrophobicContact CD2-CD1 3.98Å; L126-V128 HydrophobicContact CD2-CG2 3.53Å; L126-V128 HydrophobicContact CG-CG2 3.61Å; L126-A169 CarbonylContact O-C 3.58Å; L126-A169 WeakPolarHBondContact O-CA 3.28Å; L126-V170 HydrophobicContact CB-CB 4.35Å; L126-V170 PolarHBondContact N-O 2.93Å; L126-V170 PolarHBondContact O-N 3.39Å; L126-I186 HydrophobicContact CD2-CG2 3.74Å |
| 127 | I | 93.8 | Very high | 89.4 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.4 | 172.8 | -55.3 | 175.4 | 0 | 0 | 0 | 108.1 | R44 L46 I85 L162 E167 Y202 | R44-I127 HydrophobicContact CB-CB 4.16Å; R44-I127 PolarHBondContact O-N 3.39Å; L46-I127 HydrophobicContact CB-CD1 4Å; L46-I127 HydrophobicContact CB-CG1 3.96Å; L46-I127 HydrophobicContact CD1-CD1 4.45Å; I85-I127 HydrophobicContact CD1-CD1 3.95Å; I85-I127 HydrophobicContact CG1-CD1 4.12Å; I85-I127 HydrophobicContact CG2-CD1 4.21Å; I127-L162 HydrophobicContact CG1-CD1 4.29Å; I127-L162 HydrophobicContact CG2-CD1 4.06Å; I127-E167 HydrophobicContact CG2-CB 3.56Å; I127-E167 VanDerWaalsContact CG2-CD 3.48Å; I127-E167 HydrophobicContact CG2-CG 4.07Å; I127-E167 WeakPolarHBondContact CG2-OE2 3.45Å; I127-Y202 HydrophobicContact CD1-CD1 4.27Å |
| 128 | V | 93.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.7 | -179.1 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | L126 A130 Q132 E167 R168 V170 L190 | L126-V128 HydrophobicContact CD2-CG2 3.53Å; L126-V128 HydrophobicContact CG-CG2 3.61Å; V128-A130 PolarHBondContact O-N 2.94Å; V128-Q132 HydrophobicContact CG1-CB 3.83Å; V128-E167 CarbonylContact O-C 3.22Å; V128-E167 WeakPolarHBondContact O-CA 3.3Å; V128-R168 PolarHBondContact N-O 3.43Å; V128-R168 PolarHBondContact O-N 2.77Å; V128-V170 HydrophobicContact CB-CG2 4.47Å; V128-V170 HydrophobicContact CG2-CG2 4.04Å; V128-L190 HydrophobicContact CG1-CD2 3.83Å |
| 129 | P | 92.5 | Very high | 91.1 | Very high | 15 Ų | 15 | 44 Ų | 44 | 10% | 0.097 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 138.1 | 171.8 | -24.8 | 34.3 | 0 | 0 | 0 | 112.2 | T131 Q132 C133 T199 | P129-T131 PolarHBondContact O-N 3.11Å; P129-Q132 PolarHBondContact O-N 3.33Å; P129-C133 PolarHBondContact O-N 3.27Å; P129-C133 VanDerWaalsContact O-N 3.1Å; P129-C133 PolarHBondContact O-SG 2.92Å; P129-C133 VanDerWaalsContact O-SG 3.34Å; P129-T199 HydrophobicContact CB-CG2 3.8Å; P129-T199 HydrophobicContact CG-CG2 4.18Å |
| 130 | A | 90.4 | Very high | 91.9 | Very high | 28 Ų | 28 | 42.7 Ų | 42.7 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.4 | -31.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V128 C133 M161 T166 | V128-A130 PolarHBondContact O-N 2.94Å; A130-C133 WeakPolarHBondContact O-CB 3.31Å; A130-C133 PolarHBondContact O-N 2.84Å; A130-M161 HydrophobicContact CB-CE 3.93Å; A130-T166 VanDerWaalsContact CB-O 3.27Å; A130-T166 WeakPolarHBondContact CB-O 3.42Å; A130-T166 PolarHBondContact N-O 2.74Å |
| 131 | T | 89.8 | Confident | 92.6 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.6 | -31.5 | 178.6 | 62.3 | 0 | 0 | 0 | 0 | 113.4 | P129 K196 | P129-T131 PolarHBondContact O-N 3.11Å; T131-K196 WeakPolarHBondContact CG2-O 3.08Å; T131-K196 PolarHBondContact OG1-N 3.1Å |
| 132 | Q | 92.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -83.9 | -28.8 | 175.2 | -68 | -168.2 | -55.7 | 0 | 0 | 111.8 | V128 P129 G134 S135 L136 L190 S193 P195 | V128-Q132 HydrophobicContact CG1-CB 3.83Å; P129-Q132 PolarHBondContact O-N 3.33Å; Q132-G134 PolarHBondContact O-N 2.82Å; Q132-S135 PolarHBondContact O-N 3.38Å; Q132-S135 VanDerWaalsContact O-N 3.08Å; Q132-L136 PolarHBondContact O-N 3.16Å; Q132-L136 VanDerWaalsContact O-N 3.08Å; Q132-L190 HydrophobicContact CB-CD2 3.85Å; Q132-L190 HydrophobicContact CG-CD2 4.45Å; Q132-L190 PolarHBondContact NE2-O 3.43Å; Q132-L190 VanDerWaalsContact NE2-O 3.12Å; Q132-S193 PolarHBondContact NE2-O 3.38Å; Q132-P195 HydrophobicContact CG-CB 4.04Å |
| 133 | C | 91.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.3 | -36 | 176 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | P129 A130 S135 L136 I137 | P129-C133 PolarHBondContact O-N 3.27Å; P129-C133 VanDerWaalsContact O-N 3.1Å; P129-C133 PolarHBondContact O-SG 2.92Å; P129-C133 VanDerWaalsContact O-SG 3.34Å; A130-C133 WeakPolarHBondContact O-CB 3.31Å; A130-C133 PolarHBondContact O-N 2.84Å; C133-S135 PolarHBondContact O-N 2.77Å; C133-L136 PolarHBondContact O-N 3.23Å; C133-I137 VanDerWaalsContact O-CG1 3.27Å; C133-I137 WeakPolarHBondContact O-CG1 3.36Å; C133-I137 PolarHBondContact O-N 2.83Å |
| 134 | G | 92.2 | Very high | 93.5 | Very high | 46 Ų | 46 | 40.1 Ų | 40.1 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | Q132 G138 | Q132-G134 PolarHBondContact O-N 2.82Å; G134-G138 PolarHBondContact O-N 2.86Å |
| 135 | S | 92.2 | Very high | 93.5 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 33% | 0.329 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.6 | -34.7 | 175.9 | -57.3 | 0 | 0 | 0 | 0 | 112.6 | Q132 C133 K143 S193 | Q132-S135 PolarHBondContact O-N 3.38Å; Q132-S135 VanDerWaalsContact O-N 3.08Å; C133-S135 PolarHBondContact O-N 2.77Å; S135-K143 WeakPolarHBondContact O-CD 3.24Å; S135-S193 WeakPolarHBondContact CB-OG 3.39Å; S135-S193 WeakPolarHBondContact OG-CB 3.46Å; S135-S193 PolarHBondContact OG-OG 3.34Å |
| 136 | L | 94.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 176.4 | -172.3 | 152 | 0 | 0 | 0 | 111.9 | Q132 C133 I144 I186 | Q132-L136 PolarHBondContact O-N 3.16Å; Q132-L136 VanDerWaalsContact O-N 3.08Å; C133-L136 PolarHBondContact O-N 3.23Å; L136-I144 HydrophobicContact CD2-CD1 4.06Å; L136-I144 HydrophobicContact CD2-CG1 4.42Å; L136-I144 PolarHBondContact O-N 2.83Å; L136-I186 HydrophobicContact CD1-CG1 4.32Å; L136-I186 HydrophobicContact CD1-CG2 3.88Å |
| 137 | I | 94.4 | Very high | 93.6 | Very high | 50 Ų | 50 | 48.4 Ų | 48.4 | 26% | 0.256 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.1 | -43.9 | 176.5 | -64.6 | 165.8 | 0 | 0 | 0 | 110.5 | C133 G141 K143 I144 V157 | C133-I137 VanDerWaalsContact O-CG1 3.27Å; C133-I137 WeakPolarHBondContact O-CG1 3.36Å; C133-I137 PolarHBondContact O-N 2.83Å; I137-G141 CarbonylContact O-C 3.57Å; I137-G141 VanDerWaalsContact O-CA 3.22Å; I137-G141 WeakPolarHBondContact O-CA 3.47Å; I137-K143 PolarHBondContact O-N 2.81Å; I137-I144 HydrophobicContact CB-CG2 4.44Å; I137-I144 HydrophobicContact CG2-CG2 4.14Å; I137-I144 PolarHBondContact O-N 3.45Å; I137-V157 HydrophobicContact CD1-CG1 4.36Å; I137-V157 HydrophobicContact CG1-CG2 4.47Å |
| 138 | G | 93.2 | Very high | 93.7 | Very high | 19 Ų | 19 | 52.9 Ų | 52.9 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | trans | 76.3 | 171.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G134 G140 G141 | G134-G138 PolarHBondContact O-N 2.86Å; G138-G140 PolarHBondContact O-N 3.22Å; G138-G141 PolarHBondContact O-N 3.02Å; G138-G141 VanDerWaalsContact O-N 3.12Å | ||
| 139 | K | 94.3 | Very high | 93.8 | Very high | 207 Ų | 207 | 60 Ų | 60 | 90% | 0.9 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -62 | 121.3 | 178.6 | -62.4 | 177.5 | -176.5 | 176.5 | 0 | 109.2 | G141 S142 | K139-G141 PolarHBondContact O-N 3.27Å; K139-S142 PolarHBondContact O-N 3.34Å |
| 140 | G | 94.2 | Very high | 94 | Very high | 94 Ų | 94 | 62.8 Ų | 62.8 | 97% | 0.969 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | 65.8 | 15.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G138 S142 | G138-G140 PolarHBondContact O-N 3.22Å; G140-S142 VanDerWaalsContact C-N 3.33Å |
| 141 | G | 94 | Very high | 94.2 | Very high | 20 Ų | 20 | 62.2 Ų | 62.2 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | 77.5 | 13.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I137 G138 K139 I144 R145 | I137-G141 CarbonylContact O-C 3.57Å; I137-G141 VanDerWaalsContact O-CA 3.22Å; I137-G141 WeakPolarHBondContact O-CA 3.47Å; G138-G141 PolarHBondContact O-N 3.02Å; G138-G141 VanDerWaalsContact O-N 3.12Å; K139-G141 PolarHBondContact O-N 3.27Å; G141-I144 VanDerWaalsContact O-CG2 3.28Å; G141-I144 WeakPolarHBondContact O-CG2 3.43Å; G141-R145 VanDerWaalsContact O-CB 3.28Å; G141-R145 WeakPolarHBondContact O-CB 3.48Å; G141-R145 PolarHBondContact O-N 2.9Å |
| 142 | S | 95.8 | Very high | 94.3 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 43% | 0.434 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.2 | -54.3 | -179.1 | -166.3 | 0 | 0 | 0 | 0 | 111.8 | K139 G140 I144 R145 D146 | K139-S142 PolarHBondContact O-N 3.34Å; G140-S142 VanDerWaalsContact C-N 3.33Å; S142-I144 PolarHBondContact O-N 3.07Å; S142-R145 WeakPolarHBondContact O-CB 3.31Å; S142-R145 PolarHBondContact O-N 3.45Å; S142-D146 PolarHBondContact O-N 3.44Å; S142-D146 VanDerWaalsContact O-OD2 3.09Å; S142-D146 PolarHBondContact OG-OD2 3.47Å |
| 143 | K | 95.1 | Very high | 94.5 | Very high | 75 Ų | 75 | 61.7 Ų | 61.7 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.4 | -46.8 | -176.1 | -82.4 | -163.1 | 170.9 | -168.1 | 0 | 112 | S135 I137 R145 D146 I147 E192 | S135-K143 WeakPolarHBondContact O-CD 3.24Å; I137-K143 PolarHBondContact O-N 2.81Å; K143-R145 VanDerWaalsContact C-N 3.32Å; K143-R145 PolarHBondContact O-N 3.49Å; K143-D146 PolarHBondContact O-N 3.34Å; K143-I147 WeakPolarHBondContact O-CD1 3.47Å; K143-I147 WeakPolarHBondContact O-CG1 3.32Å; K143-I147 PolarHBondContact O-N 2.83Å; K143-E192 IonicContact NZ-OE1 2.77Å; K143-E192 IonicContact NZ-OE2 3.99Å; K143-E192 PolarHBondContact NZ-OE2 3.45Å; K143-E192 VanDerWaalsContact NZ-OE2 3.13Å |
| 144 | I | 95.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.046 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67 | -34.3 | 178.7 | -172.1 | 168.7 | 0 | 0 | 0 | 112.4 | L136 I137 G141 S142 R148 I155 V157 | L136-I144 HydrophobicContact CD2-CD1 4.06Å; L136-I144 HydrophobicContact CD2-CG1 4.42Å; L136-I144 PolarHBondContact O-N 2.83Å; I137-I144 HydrophobicContact CB-CG2 4.44Å; I137-I144 HydrophobicContact CG2-CG2 4.14Å; I137-I144 PolarHBondContact O-N 3.45Å; G141-I144 VanDerWaalsContact O-CG2 3.28Å; G141-I144 WeakPolarHBondContact O-CG2 3.43Å; S142-I144 PolarHBondContact O-N 3.07Å; I144-R148 VanDerWaalsContact O-CG 3.28Å; I144-R148 WeakPolarHBondContact O-CG 3.34Å; I144-R148 PolarHBondContact O-N 3.12Å; I144-I155 HydrophobicContact CD1-CG2 3.95Å; I144-I155 HydrophobicContact CG1-CG2 4.35Å; I144-V157 HydrophobicContact CD1-CG2 3.48Å; I144-V157 VanDerWaalsContact CD1-CG2 3.48Å |
| 145 | R | 95.7 | Very high | 94.8 | Very high | 170 Ų | 170 | 62.3 Ų | 62.3 | 64% | 0.642 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.4 | -46 | 174.8 | -178.4 | -179.2 | 175.5 | 179.8 | -1.1 | 110.8 | G141 S142 K143 I147 R148 E149 | G141-R145 VanDerWaalsContact O-CB 3.28Å; G141-R145 WeakPolarHBondContact O-CB 3.48Å; G141-R145 PolarHBondContact O-N 2.9Å; S142-R145 WeakPolarHBondContact O-CB 3.31Å; S142-R145 PolarHBondContact O-N 3.45Å; K143-R145 VanDerWaalsContact C-N 3.32Å; K143-R145 PolarHBondContact O-N 3.49Å; R145-I147 VanDerWaalsContact C-N 3.31Å; R145-I147 PolarHBondContact O-N 2.94Å; R145-R148 WeakPolarHBondContact O-CB 3.28Å; R145-R148 PolarHBondContact O-N 3.24Å; R145-R148 VanDerWaalsContact O-N 3.16Å; R145-E149 PolarHBondContact O-N 2.93Å |
| 146 | D | 95.7 | Very high | 94.9 | Very high | 79 Ų | 79 | 65.7 Ų | 65.7 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 179.1 | -56.2 | -24.2 | 0 | 0 | 0 | 110.9 | S142 K143 E149 A150 | S142-D146 PolarHBondContact O-N 3.44Å; S142-D146 VanDerWaalsContact O-OD2 3.09Å; S142-D146 PolarHBondContact OG-OD2 3.47Å; K143-D146 PolarHBondContact O-N 3.34Å; D146-E149 PolarHBondContact O-N 3.38Å; D146-A150 WeakPolarHBondContact O-CB 3.34Å; D146-A150 PolarHBondContact O-N 2.95Å |
| 147 | I | 95.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 176.1 | -60 | 160.3 | 0 | 0 | 0 | 111.1 | K143 R145 E149 A150 T151 I155 Q185 I189 | K143-I147 WeakPolarHBondContact O-CD1 3.47Å; K143-I147 WeakPolarHBondContact O-CG1 3.32Å; K143-I147 PolarHBondContact O-N 2.83Å; R145-I147 VanDerWaalsContact C-N 3.31Å; R145-I147 PolarHBondContact O-N 2.94Å; I147-E149 VanDerWaalsContact C-N 3.33Å; I147-E149 PolarHBondContact O-N 3.14Å; I147-A150 PolarHBondContact O-N 3.29Å; I147-T151 HydrophobicContact CG2-CG2 4.14Å; I147-T151 WeakPolarHBondContact O-CB 3.31Å; I147-T151 WeakPolarHBondContact O-CG2 3.45Å; I147-T151 PolarHBondContact O-N 3.41Å; I147-T151 PolarHBondContact O-OG1 3.5Å; I147-I155 HydrophobicContact CB-CD1 4.23Å; I147-I155 HydrophobicContact CG2-CD1 3.66Å; I147-Q185 HydrophobicContact CG1-CB 4.49Å; I147-Q185 HydrophobicContact CG2-CB 4.26Å; I147-I189 HydrophobicContact CD1-CD1 3.36Å; I147-I189 HydrophobicContact CG1-CD1 4.22Å |
| 148 | R | 95.7 | Very high | 94.9 | Very high | 102 Ų | 102 | 66.5 Ų | 66.5 | 39% | 0.385 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 177.1 | -72.9 | 172.7 | -177.4 | 159.2 | 2.3 | 111.1 | I144 R145 G152 I155 | I144-R148 VanDerWaalsContact O-CG 3.28Å; I144-R148 WeakPolarHBondContact O-CG 3.34Å; I144-R148 PolarHBondContact O-N 3.12Å; R145-R148 WeakPolarHBondContact O-CB 3.28Å; R145-R148 PolarHBondContact O-N 3.24Å; R145-R148 VanDerWaalsContact O-N 3.16Å; R148-G152 WeakPolarHBondContact O-CA 3.43Å; R148-G152 PolarHBondContact O-N 3.23Å; R148-I155 HydrophobicContact CG-CB 3.94Å; R148-I155 HydrophobicContact CG-CD1 3.8Å; R148-I155 HydrophobicContact CG-CG1 3.88Å; R148-I155 PolarHBondContact NE-O 3.12Å; R148-I155 PolarHBondContact NH2-O 2.69Å |
| 149 | E | 95.6 | Very high | 94.7 | Very high | 149 Ų | 149 | 70.8 Ų | 70.8 | 70% | 0.696 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.1 | -44.6 | 179.1 | -172.4 | 168.2 | 175.6 | 0 | 0 | 111.9 | R145 D146 I147 T151 | R145-E149 PolarHBondContact O-N 2.93Å; D146-E149 PolarHBondContact O-N 3.38Å; I147-E149 VanDerWaalsContact C-N 3.33Å; I147-E149 PolarHBondContact O-N 3.14Å; E149-T151 VanDerWaalsContact C-N 3.31Å; E149-T151 PolarHBondContact O-N 3.36Å |
| 150 | A | 95.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 68.5 Ų | 68.5 | 62% | 0.62 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.2 | -27.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D146 I147 | D146-A150 WeakPolarHBondContact O-CB 3.34Å; D146-A150 PolarHBondContact O-N 2.95Å; I147-A150 PolarHBondContact O-N 3.29Å |
| 151 | T | 94.9 | Very high | 94.2 | Very high | 16 Ų | 16 | 68.1 Ų | 68.1 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -103.2 | -23 | -176.4 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | I147 E149 A153 A178 C181 C182 | I147-T151 HydrophobicContact CG2-CG2 4.14Å; I147-T151 WeakPolarHBondContact O-CB 3.31Å; I147-T151 WeakPolarHBondContact O-CG2 3.45Å; I147-T151 PolarHBondContact O-N 3.41Å; I147-T151 PolarHBondContact O-OG1 3.5Å; E149-T151 VanDerWaalsContact C-N 3.31Å; E149-T151 PolarHBondContact O-N 3.36Å; T151-A153 PolarHBondContact O-N 3.2Å; T151-A153 PolarHBondContact OG1-N 3.29Å; T151-A178 VanDerWaalsContact O-CB 3.3Å; T151-A178 WeakPolarHBondContact O-CB 3.29Å; T151-C181 HydrophobicContact CG2-CB 4.16Å; T151-C182 HydrophobicContact CG2-CB 3.83Å |
| 152 | G | 93.3 | Very high | 93.8 | Very high | 65 Ų | 65 | 68.1 Ų | 68.1 | 67% | 0.67 | 38% | 0.375 | S | S | * | . | trans | 68.8 | 6.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R148 | R148-G152 WeakPolarHBondContact O-CA 3.43Å; R148-G152 PolarHBondContact O-N 3.23Å | ||
| 153 | A | 94.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.033 | 38% | 0.38 | C | S | . | . | trans | -85 | 143.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T151 I155 I172 A178 C182 | T151-A153 PolarHBondContact O-N 3.2Å; T151-A153 PolarHBondContact OG1-N 3.29Å; A153-I155 PolarHBondContact O-N 3.42Å; A153-I172 HydrophobicContact CB-CG2 4.29Å; A153-A178 HydrophobicContact CB-CB 4.07Å; A153-C182 HydrophobicContact CB-CB 4.22Å | ||
| 154 | S | 95.1 | Very high | 92.8 | Very high | 57 Ų | 57 | 70.1 Ų | 70.1 | 40% | 0.399 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 107 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | S173 | S154-S173 WeakPolarHBondContact CB-OG 3.39Å; S154-S173 PolarHBondContact N-O 3.12Å; S154-S173 PolarHBondContact O-N 2.8Å; S154-S173 PolarHBondContact O-OG 3.06Å; S154-S173 VanDerWaalsContact O-OG 3.06Å |
| 155 | I | 95.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.015 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131.3 | -179.8 | -50.8 | 171.5 | 0 | 0 | 0 | 108.5 | I144 I147 R148 A153 V170 T171 I172 C182 | I144-I155 HydrophobicContact CD1-CG2 3.95Å; I144-I155 HydrophobicContact CG1-CG2 4.35Å; I147-I155 HydrophobicContact CB-CD1 4.23Å; I147-I155 HydrophobicContact CG2-CD1 3.66Å; R148-I155 HydrophobicContact CG-CB 3.94Å; R148-I155 HydrophobicContact CG-CD1 3.8Å; R148-I155 HydrophobicContact CG-CG1 3.88Å; R148-I155 PolarHBondContact NE-O 3.12Å; R148-I155 PolarHBondContact NH2-O 2.69Å; A153-I155 PolarHBondContact O-N 3.42Å; I155-V170 HydrophobicContact CG2-CG1 3.68Å; I155-T171 CarbonylContact C-O 3.48Å; I155-T171 WeakPolarHBondContact CA-O 3.17Å; I155-I172 HydrophobicContact CG1-CG1 4.42Å; I155-I172 HydrophobicContact CG1-CG2 4.5Å; I155-I172 HydrophobicContact CG2-CG1 4.21Å; I155-C182 WeakPolarHBondContact CD1-SG 3.45Å |
| 156 | Q | 94.8 | Very high | 92 | Very high | 117 Ų | 117 | 64.3 Ų | 64.3 | 55% | 0.547 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.6 | 176.7 | -61.7 | -179.7 | 14.2 | 0 | 0 | 109.3 | V170 T171 | Q156-V170 CarbonylContact O-C 3.57Å; Q156-V170 WeakPolarHBondContact O-CA 3.46Å; Q156-T171 PolarHBondContact N-O 2.77Å; Q156-T171 PolarHBondContact O-N 2.77Å |
| 157 | V | 94.3 | Very high | 91.9 | Very high | 37 Ų | 37 | 61 Ų | 61 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.6 | 178 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | I137 I144 S159 V170 | I137-V157 HydrophobicContact CD1-CG1 4.36Å; I137-V157 HydrophobicContact CG1-CG2 4.47Å; I144-V157 HydrophobicContact CD1-CG2 3.48Å; I144-V157 VanDerWaalsContact CD1-CG2 3.48Å; V157-S159 PolarHBondContact O-N 3.19Å; V157-V170 HydrophobicContact CG1-CG2 4.29Å; V157-V170 HydrophobicContact CG2-CG1 4.18Å; V157-V170 HydrophobicContact CG2-CG2 4.18Å |
| 158 | A | 93.3 | Very high | 91.8 | Very high | 32 Ų | 32 | 64.2 Ų | 64.2 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | trans | -64.8 | 133.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E160 A169 | A158-E160 VanDerWaalsContact C-N 3.34Å; A158-A169 HydrophobicContact CB-CB 4.46Å; A158-A169 VanDerWaalsContact CB-O 3.29Å; A158-A169 WeakPolarHBondContact CB-O 3.43Å; A158-A169 PolarHBondContact N-O 2.76Å | ||
| 159 | S | 88.8 | Confident | 91.7 | Very high | 110 Ų | 110 | 59.6 Ų | 59.6 | 77% | 0.769 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -69.4 | -36.7 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | V157 R168 | V157-S159 PolarHBondContact O-N 3.19Å; S159-R168 PolarHBondContact O-NE 2.69Å; S159-R168 PolarHBondContact O-NH2 2.92Å |
| 160 | E | 90.5 | Very high | 91.7 | Very high | 159 Ų | 159 | 52.6 Ų | 52.6 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -86 | 152.9 | 178.8 | 64.1 | -170 | -179.7 | 0 | 0 | 112.3 | A158 | A158-E160 VanDerWaalsContact C-N 3.34Š|
| 161 | M | 88.4 | Confident | 91.7 | Very high | 86 Ų | 86 | 50.9 Ų | 50.9 | 42% | 0.424 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -84 | 149.8 | 172.3 | -57.1 | 168.8 | 82.8 | 0 | 0 | 108.1 | A130 T166 E167 R168 | A130-M161 HydrophobicContact CB-CE 3.93Å; M161-T166 HydrophobicContact CE-CG2 4.34Å; M161-T166 WeakPolarHBondContact CE-O 3.47Å; M161-E167 WeakPolarHBondContact CA-O 3.43Å; M161-R168 HydrophobicContact CG-CG 4.17Å |
| 162 | L | 86.7 | Confident | 91.7 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 142.3 | 175.3 | -70.8 | 169.6 | 0 | 0 | 0 | 109.6 | I127 S164 S165 E167 A169 Y202 | I127-L162 HydrophobicContact CG1-CD1 4.29Å; I127-L162 HydrophobicContact CG2-CD1 4.06Å; L162-S164 PolarHBondContact O-N 3.15Å; L162-S165 PolarHBondContact O-N 3.32Å; L162-E167 PolarHBondContact N-O 2.75Å; L162-A169 HydrophobicContact CD2-CB 4.32Å; L162-Y202 HydrophobicContact CB-CD2 3.61Å; L162-Y202 HydrophobicContact CB-CE2 4.04Å; L162-Y202 HydrophobicContact CB-CG 3.93Å; L162-Y202 HydrophobicContact CD1-CD1 3.84Å; L162-Y202 HydrophobicContact CD1-CD2 4.27Å; L162-Y202 HydrophobicContact CD1-CE1 4.43Å; L162-Y202 HydrophobicContact CD1-CG 3.73Å; L162-Y202 HydrophobicContact CG-CD2 4.44Å; L162-Y202 HydrophobicContact CG-CG 4.38Å |
| 163 | P | 84.1 | Confident | 91.8 | Very high | 82 Ų | 82 | 48 Ų | 48 | 53% | 0.532 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 135.9 | -174.7 | 23.1 | -31.3 | 0 | 0 | 0 | 110.3 | S165 Y202 | P163-S165 PolarHBondContact O-N 2.86Å; P163-Y202 HydrophobicContact CG-CE2 4.02Å; P163-Y202 WeakPolarHBondContact O-CD2 3.45Å |
| 164 | S | 83.9 | Confident | 91.7 | Very high | 98 Ų | 98 | 48.8 Ų | 48.8 | 69% | 0.685 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 23.6 | -176.2 | -47.6 | 0 | 0 | 0 | 0 | 115.1 | L162 | L162-S164 PolarHBondContact O-N 3.15Š|
| 165 | S | 87.3 | Confident | 91.6 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -140.1 | 156.3 | -178.8 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | L162 P163 E167 V200 Y202 | L162-S165 PolarHBondContact O-N 3.32Å; P163-S165 PolarHBondContact O-N 2.86Å; S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 WeakPolarHBondContact OG-CB 3.27Å; S165-E167 WeakPolarHBondContact OG-CG 3.41Å; S165-E167 PolarHBondContact OG-N 3.08Å; S165-V200 PolarHBondContact OG-O 2.86Å; S165-Y202 WeakPolarHBondContact OG-CA 3.28Å; S165-Y202 PolarHBondContact OG-N 3.23Å; S165-Y202 VanDerWaalsContact OG-N 3.08Å |
| 166 | T | 88.8 | Confident | 91.4 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -90.9 | 11 | 169.6 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | A130 M161 T199 V200 | A130-T166 VanDerWaalsContact CB-O 3.27Å; A130-T166 WeakPolarHBondContact CB-O 3.42Å; A130-T166 PolarHBondContact N-O 2.74Å; M161-T166 HydrophobicContact CE-CG2 4.34Å; M161-T166 WeakPolarHBondContact CE-O 3.47Å; T166-T199 WeakPolarHBondContact OG1-CA 3.17Å; T166-V200 HydrophobicContact CG2-CB 4.14Å; T166-V200 HydrophobicContact CG2-CG2 4.17Å; T166-V200 PolarHBondContact N-O 2.65Å; T166-V200 VanDerWaalsContact N-O 3.15Å; T166-V200 PolarHBondContact OG1-N 2.74Å |
| 167 | E | 93.1 | Very high | 91.3 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 150.6 | -175.4 | -58.5 | 177 | 138.6 | 0 | 0 | 111.3 | R44 I127 V128 M161 L162 S165 P201 Y202 | R44-E167 IonicContact CZ-OE2 3.71Å; R44-E167 IonicContact NH1-OE1 3.87Å; R44-E167 PolarHBondContact NH1-OE1 3.2Å; R44-E167 IonicContact NH1-OE2 2.74Å; R44-E167 PolarHBondContact NH1-OE2 3.4Å; I127-E167 HydrophobicContact CG2-CB 3.56Å; I127-E167 VanDerWaalsContact CG2-CD 3.48Å; I127-E167 HydrophobicContact CG2-CG 4.07Å; I127-E167 WeakPolarHBondContact CG2-OE2 3.45Å; V128-E167 CarbonylContact O-C 3.22Å; V128-E167 WeakPolarHBondContact O-CA 3.3Å; M161-E167 WeakPolarHBondContact CA-O 3.43Å; L162-E167 PolarHBondContact N-O 2.75Å; S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 WeakPolarHBondContact OG-CB 3.27Å; S165-E167 WeakPolarHBondContact OG-CG 3.41Å; S165-E167 PolarHBondContact OG-N 3.08Å; E167-P201 WeakPolarHBondContact OE2-CA 3.41Å; E167-Y202 WeakPolarHBondContact OE2-CB 3.48Å; E167-Y202 PolarHBondContact OE2-N 3.08Å |
| 168 | R | 93.4 | Very high | 91.3 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 147.6 | 174.8 | -71.2 | -176.6 | 160.1 | 161.4 | -4.6 | 109.9 | V128 S159 M161 | V128-R168 PolarHBondContact N-O 3.43Å; V128-R168 PolarHBondContact O-N 2.77Å; S159-R168 PolarHBondContact O-NE 2.69Å; S159-R168 PolarHBondContact O-NH2 2.92Å; M161-R168 HydrophobicContact CG-CG 4.17Å |
| 169 | A | 93.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 131.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L126 A158 L162 | L126-A169 CarbonylContact O-C 3.58Å; L126-A169 WeakPolarHBondContact O-CA 3.28Å; A158-A169 HydrophobicContact CB-CB 4.46Å; A158-A169 VanDerWaalsContact CB-O 3.29Å; A158-A169 WeakPolarHBondContact CB-O 3.43Å; A158-A169 PolarHBondContact N-O 2.76Å; L162-A169 HydrophobicContact CD2-CB 4.32Å |
| 170 | V | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 110.8 | 172.1 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | R125 L126 V128 I155 Q156 V157 I172 | R125-V170 CarbonylContact C-O 3.57Å; L126-V170 HydrophobicContact CB-CB 4.35Å; L126-V170 PolarHBondContact N-O 2.93Å; L126-V170 PolarHBondContact O-N 3.39Å; V128-V170 HydrophobicContact CB-CG2 4.47Å; V128-V170 HydrophobicContact CG2-CG2 4.04Å; I155-V170 HydrophobicContact CG2-CG1 3.68Å; Q156-V170 CarbonylContact O-C 3.57Å; Q156-V170 WeakPolarHBondContact O-CA 3.46Å; V157-V170 HydrophobicContact CG1-CG2 4.29Å; V157-V170 HydrophobicContact CG2-CG1 4.18Å; V157-V170 HydrophobicContact CG2-CG2 4.18Å; V170-I172 HydrophobicContact CG1-CG1 4.37Å |
| 171 | T | 95.3 | Very high | 91.8 | Very high | 40 Ų | 40 | 37.5 Ų | 37.5 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 128.2 | 178.3 | -52.5 | 0 | 0 | 0 | 0 | 109.5 | F124 R125 I155 Q156 | F124-T171 CarbonylContact O-C 3.45Å; F124-T171 WeakPolarHBondContact O-CA 3.47Å; R125-T171 HydrophobicContact CG-CG2 4.2Å; I155-T171 CarbonylContact C-O 3.48Å; I155-T171 WeakPolarHBondContact CA-O 3.17Å; Q156-T171 PolarHBondContact N-O 2.77Å; Q156-T171 PolarHBondContact O-N 2.77Å |
| 172 | I | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.3 | 177.9 | -58.3 | 161.6 | 0 | 0 | 0 | 107.1 | T123 F124 A153 I155 V170 I179 C182 M183 I186 | T123-I172 CarbonylContact C-O 3.46Å; T123-I172 VanDerWaalsContact CA-O 3.31Å; T123-I172 WeakPolarHBondContact CA-O 3.42Å; F124-I172 PolarHBondContact N-O 3.35Å; F124-I172 PolarHBondContact O-N 2.6Å; A153-I172 HydrophobicContact CB-CG2 4.29Å; I155-I172 HydrophobicContact CG1-CG1 4.42Å; I155-I172 HydrophobicContact CG1-CG2 4.5Å; I155-I172 HydrophobicContact CG2-CG1 4.21Å; V170-I172 HydrophobicContact CG1-CG1 4.37Å; I172-I179 HydrophobicContact CG2-CG1 4.24Å; I172-C182 HydrophobicContact CG2-CB 4.44Å; I172-M183 HydrophobicContact CD1-CE 3.49Å; I172-M183 VanDerWaalsContact CD1-CE 3.49Å; I172-M183 HydrophobicContact CD1-SD 3.91Å; I172-I186 HydrophobicContact CD1-CD1 3.49Å; I172-I186 VanDerWaalsContact CD1-CD1 3.49Å; I172-I186 HydrophobicContact CG1-CD1 4.42Å |
| 173 | S | 94.1 | Very high | 92.5 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140.5 | -177.4 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | I122 S154 | I122-S173 WeakPolarHBondContact O-CA 3.17Å; S154-S173 WeakPolarHBondContact CB-OG 3.39Å; S154-S173 PolarHBondContact N-O 3.12Å; S154-S173 PolarHBondContact O-N 2.8Å; S154-S173 PolarHBondContact O-OG 3.06Å; S154-S173 VanDerWaalsContact O-OG 3.06Å |
| 174 | G | 93.2 | Very high | 92.9 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 22% | 0.216 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.5 | -161.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I122 | I122-G174 PolarHBondContact O-N 3.29Å |
| 175 | T | 92.8 | Very high | 93.4 | Very high | 93 Ų | 93 | 30.9 Ų | 30.9 | 57% | 0.571 | 17% | 0.17 | S | C | * | . | trans | -74.6 | 160.5 | 169.9 | 60.5 | 0 | 0 | 0 | 0 | 110.7 | D177 A178 I179 | T175-D177 VanDerWaalsContact C-N 3.3Å; T175-D177 PolarHBondContact O-N 2.83Å; T175-A178 PolarHBondContact O-N 2.82Å; T175-A178 VanDerWaalsContact OG1-CB 3.27Å; T175-A178 WeakPolarHBondContact OG1-CB 3.38Å; T175-A178 PolarHBondContact OG1-N 3.09Å; T175-I179 WeakPolarHBondContact O-CD1 3.46Å; T175-I179 VanDerWaalsContact O-CG1 3.28Å; T175-I179 WeakPolarHBondContact O-CG1 3.48Å; T175-I179 PolarHBondContact O-N 3.33Å | ||
| 176 | A | 92.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.1 | -44.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C103 E107 I179 I180 | C103-A176 HydrophobicContact CB-CB 3.86Å; E107-A176 HydrophobicContact CG-CB 4.13Å; E107-A176 WeakPolarHBondContact OE1-CB 3.36Å; A176-I179 PolarHBondContact O-N 3.5Å; A176-I180 WeakPolarHBondContact O-CD1 3.34Å; A176-I180 WeakPolarHBondContact O-CG1 3.22Å; A176-I180 PolarHBondContact O-N 2.94Å |
| 177 | D | 92.9 | Very high | 93.9 | Very high | 116 Ų | 116 | 28.4 Ų | 28.4 | 62% | 0.62 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -64.3 | -43.1 | 179.3 | -65.5 | -45.8 | 0 | 0 | 0 | 112.6 | T175 I179 I180 C181 | T175-D177 VanDerWaalsContact C-N 3.3Å; T175-D177 PolarHBondContact O-N 2.83Å; D177-I179 VanDerWaalsContact C-N 3.31Å; D177-I179 PolarHBondContact O-N 3.39Å; D177-I180 PolarHBondContact O-N 3.17Å; D177-C181 WeakPolarHBondContact O-CB 3.32Å; D177-C181 PolarHBondContact O-N 2.67Å; D177-C181 PolarHBondContact O-SG 2.86Å |
| 178 | A | 94.7 | Very high | 93.9 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T151 A153 T175 C182 | T151-A178 VanDerWaalsContact O-CB 3.3Å; T151-A178 WeakPolarHBondContact O-CB 3.29Å; A153-A178 HydrophobicContact CB-CB 4.07Å; T175-A178 PolarHBondContact O-N 2.82Å; T175-A178 VanDerWaalsContact OG1-CB 3.27Å; T175-A178 WeakPolarHBondContact OG1-CB 3.38Å; T175-A178 PolarHBondContact OG1-N 3.09Å; A178-C182 WeakPolarHBondContact O-CB 3.35Å; A178-C182 PolarHBondContact O-N 3.4Å |
| 179 | I | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.5 | -44.8 | 177.3 | -66.4 | 163.2 | 0 | 0 | 0 | 110.9 | I122 F124 I172 T175 A176 D177 C182 M183 | I122-I179 HydrophobicContact CB-CD1 3.86Å; I122-I179 HydrophobicContact CG2-CD1 3.91Å; F124-I179 HydrophobicContact CD2-CD1 3.94Å; F124-I179 HydrophobicContact CD2-CG1 4.5Å; F124-I179 HydrophobicContact CD2-CG2 3.52Å; F124-I179 HydrophobicContact CE2-CD1 3.97Å; F124-I179 HydrophobicContact CE2-CG2 3.71Å; I172-I179 HydrophobicContact CG2-CG1 4.24Å; T175-I179 WeakPolarHBondContact O-CD1 3.46Å; T175-I179 VanDerWaalsContact O-CG1 3.28Å; T175-I179 WeakPolarHBondContact O-CG1 3.48Å; T175-I179 PolarHBondContact O-N 3.33Å; A176-I179 PolarHBondContact O-N 3.5Å; D177-I179 VanDerWaalsContact C-N 3.31Å; D177-I179 PolarHBondContact O-N 3.39Å; I179-C182 PolarHBondContact O-N 2.96Å; I179-M183 HydrophobicContact CG2-CE 4.46Å; I179-M183 HydrophobicContact CG2-CG 4.24Å; I179-M183 WeakPolarHBondContact O-CB 3.45Å; I179-M183 VanDerWaalsContact O-CG 3.32Å; I179-M183 WeakPolarHBondContact O-CG 3.46Å; I179-M183 PolarHBondContact O-N 2.91Å |
| 180 | I | 93.9 | Very high | 93.7 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 6% | 0.062 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -48 | 179 | -69 | 161.7 | 0 | 0 | 0 | 110.3 | N96 R100 C103 A176 D177 C182 M183 R184 | N96-I180 WeakPolarHBondContact OD1-CG2 3.22Å; R100-I180 HydrophobicContact CB-CD1 4.04Å; R100-I180 HydrophobicContact CG-CD1 4.02Å; C103-I180 HydrophobicContact CB-CD1 4.4Å; A176-I180 WeakPolarHBondContact O-CD1 3.34Å; A176-I180 WeakPolarHBondContact O-CG1 3.22Å; A176-I180 PolarHBondContact O-N 2.94Å; D177-I180 PolarHBondContact O-N 3.17Å; I180-C182 VanDerWaalsContact C-N 3.32Å; I180-C182 PolarHBondContact O-N 3.32Å; I180-M183 PolarHBondContact O-N 3.19Å; I180-R184 PolarHBondContact O-N 3.29Å; I180-R184 VanDerWaalsContact O-N 3.11Å |
| 181 | C | 93.7 | Very high | 93.5 | Very high | 43 Ų | 43 | 31.4 Ų | 31.4 | 29% | 0.291 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 176.4 | -76.2 | 0 | 0 | 0 | 0 | 112.2 | T151 D177 Q185 | T151-C181 HydrophobicContact CG2-CB 4.16Å; D177-C181 WeakPolarHBondContact O-CB 3.32Å; D177-C181 PolarHBondContact O-N 2.67Å; D177-C181 PolarHBondContact O-SG 2.86Å; C181-Q185 PolarHBondContact O-N 2.84Å |
| 182 | C | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.8 | -47.2 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | T151 A153 I155 I172 A178 I179 I180 R184 Q185 I186 | T151-C182 HydrophobicContact CG2-CB 3.83Å; A153-C182 HydrophobicContact CB-CB 4.22Å; I155-C182 WeakPolarHBondContact CD1-SG 3.45Å; I172-C182 HydrophobicContact CG2-CB 4.44Å; A178-C182 WeakPolarHBondContact O-CB 3.35Å; A178-C182 PolarHBondContact O-N 3.4Å; I179-C182 PolarHBondContact O-N 2.96Å; I180-C182 VanDerWaalsContact C-N 3.32Å; I180-C182 PolarHBondContact O-N 3.32Å; C182-R184 VanDerWaalsContact C-N 3.3Å; C182-R184 PolarHBondContact O-N 3.49Å; C182-Q185 PolarHBondContact O-N 3.13Å; C182-Q185 VanDerWaalsContact O-N 3.14Å; C182-I186 WeakPolarHBondContact O-CG1 3.32Å; C182-I186 PolarHBondContact O-N 3.14Å |
| 183 | M | 94.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 178.1 | -74.1 | -62 | -178.9 | 0 | 0 | 111.8 | L45 F99 F124 I172 I179 I180 Q185 I186 C187 | L45-M183 HydrophobicContact CD2-CE 4.35Å; F99-M183 HydrophobicContact CD1-CG 4.12Å; F99-M183 HydrophobicContact CD2-CB 4.48Å; F99-M183 HydrophobicContact CD2-CG 4.5Å; F99-M183 HydrophobicContact CE1-CE 3.78Å; F99-M183 HydrophobicContact CE1-CG 4.07Å; F99-M183 HydrophobicContact CE1-SD 4.07Å; F99-M183 HydrophobicContact CE2-CG 4.47Å; F99-M183 HydrophobicContact CE2-SD 4.44Å; F99-M183 HydrophobicContact CG-CG 4.34Å; F99-M183 HydrophobicContact CZ-CE 4.11Å; F99-M183 HydrophobicContact CZ-CG 4.25Å; F99-M183 HydrophobicContact CZ-SD 3.92Å; F124-M183 HydrophobicContact CB-CE 3.92Å; F124-M183 HydrophobicContact CG-CE 4.35Å; I172-M183 HydrophobicContact CD1-CE 3.49Å; I172-M183 VanDerWaalsContact CD1-CE 3.49Å; I172-M183 HydrophobicContact CD1-SD 3.91Å; I179-M183 HydrophobicContact CG2-CE 4.46Å; I179-M183 HydrophobicContact CG2-CG 4.24Å; I179-M183 WeakPolarHBondContact O-CB 3.45Å; I179-M183 VanDerWaalsContact O-CG 3.32Å; I179-M183 WeakPolarHBondContact O-CG 3.46Å; I179-M183 PolarHBondContact O-N 2.91Å; I180-M183 PolarHBondContact O-N 3.19Å; M183-Q185 PolarHBondContact O-N 3.37Å; M183-I186 PolarHBondContact O-N 3.02Å; M183-C187 WeakPolarHBondContact O-CB 3.48Å; M183-C187 PolarHBondContact O-N 3.05Å; M183-C187 PolarHBondContact O-SG 3.15Å |
| 184 | R | 93.7 | Very high | 92.4 | Very high | 97 Ų | 97 | 40 Ų | 40 | 37% | 0.366 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.8 | -46.5 | 175.2 | -175.1 | -174.4 | 63.5 | 78.7 | -0.5 | 111.9 | I180 C182 C187 L188 | I180-R184 PolarHBondContact O-N 3.29Å; I180-R184 VanDerWaalsContact O-N 3.11Å; C182-R184 VanDerWaalsContact C-N 3.3Å; C182-R184 PolarHBondContact O-N 3.49Å; R184-C187 PolarHBondContact O-N 3.29Å; R184-L188 WeakPolarHBondContact O-CG 3.27Å; R184-L188 PolarHBondContact O-N 2.73Å |
| 185 | Q | 93.9 | Very high | 92 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 21% | 0.21 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | 178.8 | -71.1 | -169.2 | 64.4 | 0 | 0 | 112.2 | I147 C181 C182 M183 C187 L188 I189 | I147-Q185 HydrophobicContact CG1-CB 4.49Å; I147-Q185 HydrophobicContact CG2-CB 4.26Å; C181-Q185 PolarHBondContact O-N 2.84Å; C182-Q185 PolarHBondContact O-N 3.13Å; C182-Q185 VanDerWaalsContact O-N 3.14Å; M183-Q185 PolarHBondContact O-N 3.37Å; Q185-C187 VanDerWaalsContact C-N 3.34Å; Q185-C187 PolarHBondContact O-N 3.03Å; Q185-L188 PolarHBondContact O-N 2.82Å; Q185-I189 WeakPolarHBondContact O-CG1 3.42Å; Q185-I189 PolarHBondContact O-N 3.05Å; Q185-I189 VanDerWaalsContact O-N 3.14Å |
| 186 | I | 94.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 176.6 | -69.2 | 171.3 | 0 | 0 | 0 | 110.6 | L126 L136 I172 C182 M183 L188 I189 L190 | L126-I186 HydrophobicContact CD2-CG2 3.74Å; L136-I186 HydrophobicContact CD1-CG1 4.32Å; L136-I186 HydrophobicContact CD1-CG2 3.88Å; I172-I186 HydrophobicContact CD1-CD1 3.49Å; I172-I186 VanDerWaalsContact CD1-CD1 3.49Å; I172-I186 HydrophobicContact CG1-CD1 4.42Å; C182-I186 WeakPolarHBondContact O-CG1 3.32Å; C182-I186 PolarHBondContact O-N 3.14Å; M183-I186 PolarHBondContact O-N 3.02Å; I186-L188 VanDerWaalsContact C-N 3.28Å; I186-L188 PolarHBondContact O-N 3.48Å; I186-I189 PolarHBondContact O-N 3.28Å; I186-L190 HydrophobicContact CG2-CD1 3.76Å; I186-L190 HydrophobicContact CG2-CG 4.08Å; I186-L190 VanDerWaalsContact O-CG 3.29Å; I186-L190 WeakPolarHBondContact O-CG 3.29Å; I186-L190 PolarHBondContact O-N 3.49Å |
| 187 | C | 92.8 | Very high | 91 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.1 | -40.5 | 177.4 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | M183 R184 Q185 L190 L191 | M183-C187 WeakPolarHBondContact O-CB 3.48Å; M183-C187 PolarHBondContact O-N 3.05Å; M183-C187 PolarHBondContact O-SG 3.15Å; R184-C187 PolarHBondContact O-N 3.29Å; Q185-C187 VanDerWaalsContact C-N 3.34Å; Q185-C187 PolarHBondContact O-N 3.03Å; C187-L190 PolarHBondContact O-N 3.36Å; C187-L191 WeakPolarHBondContact O-CB 3.39Å; C187-L191 VanDerWaalsContact O-CG 3.31Å; C187-L191 WeakPolarHBondContact O-CG 3.35Å; C187-L191 PolarHBondContact O-N 2.87Å |
| 188 | L | 92.3 | Very high | 90.4 | Very high | 78 Ų | 78 | 47.8 Ų | 47.8 | 41% | 0.408 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 177 | -69.6 | 168.5 | 0 | 0 | 0 | 112.1 | I92 R184 Q185 I186 L191 E192 | I92-L188 HydrophobicContact CD1-CD2 3.77Å; R184-L188 WeakPolarHBondContact O-CG 3.27Å; R184-L188 PolarHBondContact O-N 2.73Å; Q185-L188 PolarHBondContact O-N 2.82Å; I186-L188 VanDerWaalsContact C-N 3.28Å; I186-L188 PolarHBondContact O-N 3.48Å; L188-L191 PolarHBondContact O-N 2.92Å; L188-E192 WeakPolarHBondContact O-CB 3.12Å; L188-E192 PolarHBondContact O-N 3.36Å |
| 189 | I | 92.6 | Very high | 89.7 | Confident | 18 Ų | 18 | 50 Ų | 50 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.3 | -37.7 | -179.7 | -64.4 | 165.2 | 0 | 0 | 0 | 111.7 | I147 Q185 I186 L191 E192 S193 | I147-I189 HydrophobicContact CD1-CD1 3.36Å; I147-I189 HydrophobicContact CG1-CD1 4.22Å; Q185-I189 WeakPolarHBondContact O-CG1 3.42Å; Q185-I189 PolarHBondContact O-N 3.05Å; Q185-I189 VanDerWaalsContact O-N 3.14Å; I186-I189 PolarHBondContact O-N 3.28Å; I189-L191 VanDerWaalsContact C-N 3.29Å; I189-L191 PolarHBondContact O-N 2.76Å; I189-E192 PolarHBondContact O-N 3.46Å; I189-S193 PolarHBondContact O-N 3Å; I189-S193 VanDerWaalsContact O-N 3.09Å; I189-S193 PolarHBondContact O-OG 2.78Å |
| 190 | L | 91.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.9 | -32.8 | 176.3 | -67.1 | 178.7 | 0 | 0 | 0 | 112 | I43 V128 Q132 I186 C187 S193 | I43-L190 HydrophobicContact CD1-CD1 3.86Å; V128-L190 HydrophobicContact CG1-CD2 3.83Å; Q132-L190 HydrophobicContact CB-CD2 3.85Å; Q132-L190 HydrophobicContact CG-CD2 4.45Å; Q132-L190 PolarHBondContact NE2-O 3.43Å; Q132-L190 VanDerWaalsContact NE2-O 3.12Å; I186-L190 HydrophobicContact CG2-CD1 3.76Å; I186-L190 HydrophobicContact CG2-CG 4.08Å; I186-L190 VanDerWaalsContact O-CG 3.29Å; I186-L190 WeakPolarHBondContact O-CG 3.29Å; I186-L190 PolarHBondContact O-N 3.49Å; C187-L190 PolarHBondContact O-N 3.36Å; L190-S193 CarbonylContact O-C 3.47Å; L190-S193 VanDerWaalsContact O-O 3.14Å |
| 191 | L | 89.6 | Confident | 88.9 | Confident | 47 Ų | 47 | 56 Ų | 56 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -73 | -40 | 173.6 | -78 | 168.8 | 0 | 0 | 0 | 112.5 | V39 Q41 I92 C187 L188 I189 S193 | V39-L191 HydrophobicContact CB-CD2 4.13Å; V39-L191 HydrophobicContact CG1-CD2 3.42Å; V39-L191 VanDerWaalsContact CG1-CD2 3.42Å; Q41-L191 HydrophobicContact CB-CD2 4.12Å; Q41-L191 HydrophobicContact CB-CG 4.43Å; Q41-L191 HydrophobicContact CG-CD2 4.44Å; Q41-L191 HydrophobicContact CG-CG 4.43Å; I92-L191 HydrophobicContact CD1-CD1 3.37Å; I92-L191 HydrophobicContact CG1-CD1 3.43Å; I92-L191 VanDerWaalsContact CG1-CD1 3.43Å; C187-L191 WeakPolarHBondContact O-CB 3.39Å; C187-L191 VanDerWaalsContact O-CG 3.31Å; C187-L191 WeakPolarHBondContact O-CG 3.35Å; C187-L191 PolarHBondContact O-N 2.87Å; L188-L191 PolarHBondContact O-N 2.92Å; I189-L191 VanDerWaalsContact C-N 3.29Å; I189-L191 PolarHBondContact O-N 2.76Å; L191-S193 VanDerWaalsContact C-N 3.25Å; L191-S193 PolarHBondContact O-N 2.92Å |
| 192 | E | 89.6 | Confident | 88.4 | Confident | 139 Ų | 139 | 54.8 Ų | 54.8 | 65% | 0.65 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.9 | -34.3 | 177.1 | -171.1 | -170.9 | 176.5 | 0 | 0 | 111.8 | K143 L188 I189 | K143-E192 IonicContact NZ-OE1 2.77Å; K143-E192 IonicContact NZ-OE2 3.99Å; K143-E192 PolarHBondContact NZ-OE2 3.45Å; K143-E192 VanDerWaalsContact NZ-OE2 3.13Å; L188-E192 WeakPolarHBondContact O-CB 3.12Å; L188-E192 PolarHBondContact O-N 3.36Å; I189-E192 PolarHBondContact O-N 3.46Å |
| 193 | S | 88.1 | Confident | 87.7 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -123.2 | 88.8 | -177 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | Q132 S135 I189 L190 L191 | Q132-S193 PolarHBondContact NE2-O 3.38Å; S135-S193 WeakPolarHBondContact CB-OG 3.39Å; S135-S193 WeakPolarHBondContact OG-CB 3.46Å; S135-S193 PolarHBondContact OG-OG 3.34Å; I189-S193 PolarHBondContact O-N 3Å; I189-S193 VanDerWaalsContact O-N 3.09Å; I189-S193 PolarHBondContact O-OG 2.78Å; L190-S193 CarbonylContact O-C 3.47Å; L190-S193 VanDerWaalsContact O-O 3.14Å; L191-S193 VanDerWaalsContact C-N 3.25Å; L191-S193 PolarHBondContact O-N 2.92Å |
| 194 | P | 84.2 | Confident | 86.5 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 53% | 0.532 | 36% | 0.361 | S | S | . | . | trans | -61.1 | 154.8 | 177.8 | 25.5 | -34.1 | 0 | 0 | 0 | 111.3 | K196 | P194-K196 PolarHBondContact O-N 3.37Š| ||
| 195 | P | 84.8 | Confident | 85.3 | Confident | 66 Ų | 66 | 66.2 Ų | 66.2 | 43% | 0.429 | 37% | 0.371 | S | S | . | . | trans | -61.4 | 132.3 | 178 | 27.6 | -33 | 0 | 0 | 0 | 109.8 | Q132 T199 | Q132-P195 HydrophobicContact CG-CB 4.04Å; P195-T199 HydrophobicContact CB-CG2 4.1Å | ||
| 196 | K | 83.9 | Confident | 83.9 | Confident | 166 Ų | 166 | 66.6 Ų | 66.6 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | trans | -104.7 | 125.9 | 179.4 | -63.8 | -178.2 | -179 | -179.9 | 0 | 108.4 | T131 P194 | T131-K196 WeakPolarHBondContact CG2-O 3.08Å; T131-K196 PolarHBondContact OG1-N 3.1Å; P194-K196 PolarHBondContact O-N 3.37Å | ||
| 197 | G | 80.3 | Confident | 82.1 | Confident | 69 Ų | 69 | 71.5 Ų | 71.5 | 71% | 0.711 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 87.6 | -177.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T199 | G197-T199 PolarHBondContact O-N 3.02Š|
| 198 | A | 79.6 | Confident | 80.3 | Confident | 97 Ų | 97 | 78.1 Ų | 78.1 | 80% | 0.802 | 45% | 0.445 | S | S | * | . | trans | -70.8 | 125.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 199 | T | 81.2 | Confident | 78.3 | Confident | 58 Ų | 58 | 79.6 Ų | 79.6 | 36% | 0.356 | 46% | 0.457 | S | S | . | . | trans | -107.7 | 125.5 | 174 | 56.6 | 0 | 0 | 0 | 0 | 109.5 | P129 T166 P195 G197 P201 | P129-T199 HydrophobicContact CB-CG2 3.8Å; P129-T199 HydrophobicContact CG-CG2 4.18Å; T166-T199 WeakPolarHBondContact OG1-CA 3.17Å; P195-T199 HydrophobicContact CB-CG2 4.1Å; G197-T199 PolarHBondContact O-N 3.02Å; T199-P201 WeakPolarHBondContact O-CD 3.37Å | ||
| 200 | V | 86.2 | Confident | 75.6 | Confident | 78 Ų | 78 | 84.2 Ų | 84.2 | 47% | 0.473 | 49% | 0.488 | S | S | . | . | trans | -97.4 | 107.5 | 172.6 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | S165 T166 | S165-V200 PolarHBondContact OG-O 2.86Å; T166-V200 HydrophobicContact CG2-CB 4.14Å; T166-V200 HydrophobicContact CG2-CG2 4.17Å; T166-V200 PolarHBondContact N-O 2.65Å; T166-V200 VanDerWaalsContact N-O 3.15Å; T166-V200 PolarHBondContact OG1-N 2.74Å | ||
| 201 | P | 85 | Confident | 73.3 | Confident | 58 Ų | 58 | 90.7 Ų | 90.7 | 38% | 0.377 | 52% | 0.523 | S | S | . | . | trans | -67.6 | 136.7 | -176.4 | 27.4 | -33.9 | 0 | 0 | 0 | 110.9 | R44 E167 T199 R203 | R44-P201 VanDerWaalsContact NH1-CB 3.31Å; E167-P201 WeakPolarHBondContact OE2-CA 3.41Å; T199-P201 WeakPolarHBondContact O-CD 3.37Å; P201-R203 PolarHBondContact O-N 3.41Å | ||
| 202 | Y | 84.2 | Confident | 71.2 | Confident | 19 Ų | 19 | 95.8 Ų | 95.8 | 8% | 0.075 | 55% | 0.549 | C | S | . | . | trans | -61 | 127 | 173.8 | 179.2 | -117.4 | 0 | 0 | 0 | 110.2 | R44 L46 I85 I127 L162 P163 S165 E167 P204 | R44-Y202 PolarHBondContact NH2-O 3.24Å; L46-Y202 HydrophobicContact CD1-CE1 4.05Å; L46-Y202 HydrophobicContact CD2-CE1 4.45Å; I85-Y202 HydrophobicContact CD1-CD1 3.94Å; I85-Y202 VanDerWaalsContact CD1-O 3.31Å; I85-Y202 WeakPolarHBondContact CD1-O 3.49Å; I127-Y202 HydrophobicContact CD1-CD1 4.27Å; L162-Y202 HydrophobicContact CB-CD2 3.61Å; L162-Y202 HydrophobicContact CB-CE2 4.04Å; L162-Y202 HydrophobicContact CB-CG 3.93Å; L162-Y202 HydrophobicContact CD1-CD1 3.84Å; L162-Y202 HydrophobicContact CD1-CD2 4.27Å; L162-Y202 HydrophobicContact CD1-CE1 4.43Å; L162-Y202 HydrophobicContact CD1-CG 3.73Å; L162-Y202 HydrophobicContact CG-CD2 4.44Å; L162-Y202 HydrophobicContact CG-CG 4.38Å; P163-Y202 HydrophobicContact CG-CE2 4.02Å; P163-Y202 WeakPolarHBondContact O-CD2 3.45Å; S165-Y202 WeakPolarHBondContact OG-CA 3.28Å; S165-Y202 PolarHBondContact OG-N 3.23Å; S165-Y202 VanDerWaalsContact OG-N 3.08Å; E167-Y202 WeakPolarHBondContact OE2-CB 3.48Å; E167-Y202 PolarHBondContact OE2-N 3.08Å; Y202-P204 HydrophobicContact CE1-CB 4.13Å | ||
| 203 | R | 79 | Confident | 68.8 | Low | 198 Ų | 198 | 97.3 Ų | 97.3 | 75% | 0.747 | 56% | 0.561 | S | S | * | * | trans | -120.4 | 118.4 | 168.4 | -64.6 | -168.6 | -178.1 | -129.3 | 3 | 106.8 | P201 I205 | P201-R203 PolarHBondContact O-N 3.41Å; R203-I205 PolarHBondContact O-N 3.08Å; R203-I205 VanDerWaalsContact O-N 3.15Å | ||
| 204 | P | 70.3 | Confident | 66.3 | Low | 27 Ų | 27 | 102.8 Ų | 102.8 | 18% | 0.175 | 60% | 0.598 | C | S | . | * | P | Polyproline II helix | trans | -63.8 | 121.2 | 178.2 | 27.4 | -32.4 | 0 | 0 | 0 | 107.7 | C81 Y202 | C81-P204 HydrophobicContact CB-CB 3.96Å; C81-P204 HydrophobicContact CB-CG 4.18Å; C81-P204 PolarHBondContact SG-O 2.82Å; C81-P204 VanDerWaalsContact SG-O 3.38Å; Y202-P204 HydrophobicContact CE1-CB 4.13Å |
| 205 | I | 68.8 | Low | 64.1 | Low | 115 Ų | 115 | 104.8 Ų | 104.8 | 59% | 0.59 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -72 | 126.6 | 176.2 | -57.4 | 170.5 | 0 | 0 | 0 | 106.3 | R203 S207 | R203-I205 PolarHBondContact O-N 3.08Å; R203-I205 VanDerWaalsContact O-N 3.15Å; I205-S207 PolarHBondContact O-N 3.37Å |
| 206 | P | 63.4 | Low | 61.9 | Low | 53 Ų | 53 | 104.7 Ų | 104.7 | 34% | 0.344 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -60 | 125.4 | 171.7 | 25.5 | -32 | 0 | 0 | 0 | 107.7 | C81 I208 | C81-P206 VanDerWaalsContact SG-CA 3.5Å; P206-I208 PolarHBondContact O-N 3.06Å |
| 207 | S | 56.9 | Low | 59.8 | Low | 103 Ų | 103 | 103.4 Ų | 103.4 | 72% | 0.72 | 63% | 0.631 | S | S | * | * | trans | -65 | 76.6 | 176.3 | -52.5 | 0 | 0 | 0 | 0 | 109.9 | I205 V209 | I205-S207 PolarHBondContact O-N 3.37Å; S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.33Å; S207-V209 VanDerWaalsContact O-N 3.12Å | ||
| 208 | I | 55.6 | Low | 57.8 | Low | 143 Ų | 143 | 105.6 Ų | 105.6 | 73% | 0.733 | 64% | 0.635 | S | S | * | * | trans | -76.1 | 94.5 | 163.4 | -62 | 172.3 | 0 | 0 | 0 | 104.7 | P206 P210 | P206-I208 PolarHBondContact O-N 3.06Å; I208-P210 VanDerWaalsContact O-CD 3.32Å; I208-P210 WeakPolarHBondContact O-CD 3.19Å | ||
| 209 | V | 49.2 | Very low | 56 | Low | 109 Ų | 109 | 106.9 Ų | 106.9 | 66% | 0.661 | 64% | 0.638 | S | S | * | * | trans | -60.4 | 119.6 | 161.7 | -95.9 | 0 | 0 | 0 | 0 | 108 | S207 N211 | S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.33Å; S207-V209 VanDerWaalsContact O-N 3.12Å; V209-N211 PolarHBondContact O-N 3.16Å | ||
| 210 | P | 37.3 | Very low | 54.1 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 75% | 0.747 | 66% | 0.661 | S | S | * | * | trans | -83.2 | 70.6 | 164.3 | 34.6 | -27.4 | 0 | 0 | 0 | 107.6 | I208 | I208-P210 VanDerWaalsContact O-CD 3.32Å; I208-P210 WeakPolarHBondContact O-CD 3.19Å | ||
| 211 | N | 42.4 | Very low | 51.9 | Low | 144 Ų | 144 | 112.2 Ų | 112.2 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | trans | -103.3 | 53.7 | 168.3 | -87.2 | 26.3 | 0 | 0 | 0 | 109.5 | V209 | V209-N211 PolarHBondContact O-N 3.16Š| ||
| 212 | I | 44.7 | Very low | 49.8 | Very low | 154 Ų | 154 | 115.2 Ų | 115.2 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | trans | -141.5 | 127.2 | 165.7 | -56.5 | 179.3 | 0 | 0 | 0 | 105.8 | ||||
| 213 | L | 39.8 | Very low | 47.9 | Very low | 170 Ų | 170 | 119 Ų | 119 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | trans | 98.3 | 66.2 | 165.3 | -142 | 76.3 | 0 | 0 | 0 | 118.4 | ||||
| 214 | C | 36.6 | Very low | 46 | Very low | 135 Ų | 135 | 116 Ų | 116 | 91% | 0.912 | 73% | 0.728 | S | S | * | * | trans | -156.6 | 68.9 | 140.7 | -163.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 215 | S | 36.8 | Very low | 44.8 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -154.3 | 119 | 161.6 | 50 | 0 | 0 | 0 | 0 | 107.2 | ||
| 216 | G | 37.7 | Very low | 43.3 | Very low | 64 Ų | 64 | 124.7 Ų | 124.7 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | trans | 120.4 | 114.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 217 | T | 41.8 | Very low | 42.1 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 94.2 | 105.3 | 145.2 | 76.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 218 | S | 38.2 | Very low | 41.6 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | -173.1 | 89.1 | 113.8 | 49 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 219 | S | 40.7 | Very low | 41.1 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -113.7 | 95.5 | 144.6 | 37.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 220 | I | 42 | Very low | 40.6 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -115.2 | 107.3 | 168.3 | -63.6 | 174 | 0 | 0 | 0 | 105.8 | ||||
| 221 | A | 40.3 | Very low | 40.4 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -105.7 | 139.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 222 | S | 40.2 | Very low | 40.3 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | 78.7 | 113.5 | 159.1 | -65.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 223 | A | 44.2 | Very low | 39.9 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | 119.6 | 92.9 | 125.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 224 | N | 39.3 | Very low | 39.5 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | 86.1 | 106.4 | 122 | -135.7 | 10.6 | 0 | 0 | 0 | 119.6 | |||||
| 225 | Q | 45.2 | Very low | 39.6 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | 81.2 | 116.2 | 130.9 | -96.1 | 176.6 | 21.7 | 0 | 0 | 121.3 | ||||
| 226 | K | 37 | Very low | 39.7 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | 99.2 | 90.6 | 141.2 | -68.7 | 174.1 | -179 | 173.5 | 0 | 117.4 | ||||
| 227 | N | 38.8 | Very low | 39.7 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | 95.6 | 142.4 | 128.6 | -145.8 | -1.4 | 0 | 0 | 0 | 117 | |||||
| 228 | V | 45.2 | Very low | 39.9 | Very low | 128 Ų | 128 | 140 Ų | 140 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 91.2 | 119.9 | -178.8 | -162.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 229 | P | 46.3 | Very low | 40 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -83 | 159.7 | -168.2 | 33.8 | -36.5 | 0 | 0 | 0 | 114.8 | ||||
| 230 | P | 38 | Very low | 40.2 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -90 | 134.3 | 178.5 | 34.8 | -29.3 | 0 | 0 | 0 | 111.9 | ||||
| 231 | M | 34.1 | Very low | 40.5 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 93% | 0.926 | 75% | 0.753 | S | S | * | * | trans | -100.2 | 100.6 | 166.3 | -153.6 | -144 | -65 | 0 | 0 | 108.4 | ||||
| 232 | Q | 39.2 | Very low | 40.8 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | -115.2 | 109.8 | 164.1 | -117.2 | 171.8 | 12.9 | 0 | 0 | 105.8 | ||||
| 233 | Q | 36 | Very low | 41.2 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | trans | 168.7 | 141.3 | 147.3 | -94.3 | 174.9 | 19.3 | 0 | 0 | 108 | ||||
| 234 | F | 32 | Very low | 41.5 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 79% | 0.789 | 74% | 0.738 | S | S | * | * | trans | 75.2 | 114.2 | 174 | -53 | -79 | 0 | 0 | 0 | 115.1 | ||||
| 235 | I | 39.7 | Very low | 42 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 68% | 0.677 | 74% | 0.735 | S | S | * | * | 177.5 | 90.4 | 115.2 | -80.8 | 150.6 | 0 | 0 | 0 | 106.7 | G237 | I235-G237 PolarHBondContact O-N 3.05Š| |||
| 236 | Y | 37.5 | Very low | 41.6 | Very low | 250 Ų | 250 | 143.8 Ų | 143.8 | 98% | 0.98 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | 109.4 | 136.4 | -87.9 | -98.9 | 0 | 0 | 0 | 105.6 | ||
| 237 | G | 38.6 | Very low | 41.9 | Very low | 34 Ų | 34 | 145.4 Ų | 145.4 | 35% | 0.351 | 74% | 0.741 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 169.4 | -10 | 179.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | I235 L239 | I235-G237 PolarHBondContact O-N 3.05Å; G237-L239 PolarHBondContact O-N 3.4Å |
| 238 | N | 45 | Very low | 42.1 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 19.2 | -172.1 | -92.7 | -31 | 0 | 0 | 0 | 117.1 | ||
| 239 | L | 41.7 | Very low | 41.8 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -5.7 | 168.2 | -116.2 | 145.7 | 0 | 0 | 0 | 113.6 | G237 | G237-L239 PolarHBondContact O-N 3.4Š|
| 240 | Q | 44.7 | Very low | 41.5 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -89.4 | -8.7 | 177.1 | -83.5 | 152.7 | -4.4 | 0 | 0 | 114 | ||
| 241 | T | 48.5 | Very low | 41.5 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 53% | 0.528 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -93.8 | -19.3 | -172.8 | -45.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 242 | E | 46.3 | Very low | 41.5 | Very low | 128 Ų | 128 | 144 Ų | 144 | 60% | 0.598 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -87.7 | -22.2 | 177.9 | -95.6 | -67.6 | 129.4 | 0 | 0 | 113.8 | A244 K245 | E242-A244 VanDerWaalsContact C-N 3.3Å; E242-A244 PolarHBondContact O-N 3.38Å; E242-K245 IonicContact OE1-NZ 2.71Å; E242-K245 PolarHBondContact OE1-NZ 2.88Å |
| 243 | L | 48.5 | Very low | 41.3 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -76.6 | -14.4 | 176 | -81.5 | 166.3 | 0 | 0 | 0 | 113.9 | K245 | L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 3.35Å |
| 244 | A | 49.2 | Very low | 41.5 | Very low | 79 Ų | 79 | 147.1 Ų | 147.1 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -83.4 | -1.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | E242 | E242-A244 VanDerWaalsContact C-N 3.3Å; E242-A244 PolarHBondContact O-N 3.38Å |
| 245 | K | 49.6 | Very low | 41.7 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 67% | 0.665 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -91.3 | -2 | -176.4 | -70.4 | 179.8 | -175.8 | 166.4 | 0 | 115.1 | E242 L243 | E242-K245 IonicContact OE1-NZ 2.71Å; E242-K245 PolarHBondContact OE1-NZ 2.88Å; L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 3.35Å |
| 246 | M | 38.7 | Very low | 41.7 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -101.5 | -8.8 | -173 | -118.9 | -175.5 | -85.9 | 0 | 0 | 116.6 | ||
| 247 | Y | 42.8 | Very low | 41.8 | Very low | 212 Ų | 212 | 139.8 Ų | 139.8 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | trans | -152 | 109 | 173.2 | -64.5 | -81.5 | 0 | 0 | 0 | 112.4 | ||||
| 248 | P | 43.3 | Very low | 41.7 | Very low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | trans | -89.3 | 127 | 175 | 31 | -27.4 | 0 | 0 | 0 | 112.8 | ||||
| 249 | C | 38.4 | Very low | 41.4 | Very low | 104 Ų | 104 | 148 Ų | 148 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | trans | 63.3 | 143.2 | 147.6 | -60 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 250 | H | 38.7 | Very low | 41.3 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | -149.2 | 156.4 | 64.4 | -60.1 | -80.4 | 0 | 0 | 0 | 113.5 | |||||
| 251 | P | 38.3 | Very low | 41.1 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -114.8 | 137.8 | -160.4 | 36.1 | -21.3 | 0 | 0 | 0 | 114.3 | ||||
| 252 | L | 34.7 | Very low | 40.6 | Very low | 171 Ų | 171 | 150 Ų | 150 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -165.1 | 94.5 | 152.2 | -85.9 | -168.4 | 0 | 0 | 0 | 109.3 | ||||
| 253 | F | 35.4 | Very low | 40.2 | Very low | 215 Ų | 215 | 148.5 Ų | 148.5 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | trans | 178 | 129 | 138.8 | -119.6 | -102.8 | 0 | 0 | 0 | 109.7 | ||||
| 254 | Q | 39.4 | Very low | 39.9 | Very low | 181 Ų | 181 | 150 Ų | 150 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 156.1 | -175.1 | -67.3 | -175.6 | -22.7 | 0 | 0 | 112.4 | ||
| 255 | P | 36.5 | Very low | 39.4 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 151.6 | -174 | 35.8 | -32 | 0 | 0 | 0 | 113.8 | ||
| 256 | I | 39.4 | Very low | 38.9 | Very low | 164 Ų | 164 | 149 Ų | 149 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -98 | 137.7 | 171.7 | -56.8 | 171.6 | 0 | 0 | 0 | 108.8 | ||
| 257 | P | 40.5 | Very low | 38.9 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 152.9 | -173.2 | 33.2 | -34 | 0 | 0 | 0 | 114.8 | ||
| 258 | T | 36.9 | Very low | 38.7 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 137.6 | 178.8 | -44.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 259 | F | 38.4 | Very low | 38.5 | Very low | 195 Ų | 195 | 145 Ų | 145 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -116.3 | 137.8 | 162.5 | -169.9 | -97.1 | 0 | 0 | 0 | 110.9 | ||||
| 260 | N | 40.1 | Very low | 38.4 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 83% | 0.827 | S | S | * | * | trans | -70.1 | 139.9 | -172 | -127 | 1.2 | 0 | 0 | 0 | 112.6 | ||||
| 261 | Q | 39 | Very low | 38.3 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -85.4 | 148.6 | 166.6 | -77.6 | -176.6 | -33.8 | 0 | 0 | 111.5 | ||||
| 262 | P | 38.2 | Very low | 38.4 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | trans | -113.3 | 143.2 | 149.2 | 27.3 | -12.2 | 0 | 0 | 0 | 112 | ||||
| 263 | A | 37.7 | Very low | 38.5 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -74.5 | 137.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 264 | L | 41.8 | Very low | 38.5 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | trans | -147.3 | 139.2 | 155 | -81 | 177.5 | 0 | 0 | 0 | 110 | ||||
| 265 | G | 39.8 | Very low | 38.3 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -76.2 | -174.8 | -163.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 266 | P | 39 | Very low | 38 | Very low | 140 Ų | 140 | 137 Ų | 137 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -94 | 144.2 | -158.2 | 35.9 | -32.2 | 0 | 0 | 0 | 113.4 | ||||
| 267 | G | 37.6 | Very low | 37.9 | Very low | 69 Ų | 69 | 137.3 Ų | 137.3 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -168.5 | 100 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 268 | I | 40.6 | Very low | 37.5 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | 33.1 | 117.8 | 141.9 | -37.4 | -175.1 | 0 | 0 | 0 | 117.4 | ||||
| 269 | I | 37.6 | Very low | 37.5 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | 174 | 133.8 | 121.3 | -81.7 | 151.3 | 0 | 0 | 0 | 109.8 | |||||
| 270 | S | 36.6 | Very low | 37.2 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -70.8 | 170.5 | -170.3 | -64.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 271 | P | 37.6 | Very low | 37 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -102 | 151.8 | -150 | 38.7 | -32.5 | 0 | 0 | 0 | 114.3 | ||||
| 272 | N | 38.6 | Very low | 36.8 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -177.2 | 148.7 | 145.3 | -100.4 | -36.9 | 0 | 0 | 0 | 109.7 | ||||
| 273 | V | 37.1 | Very low | 36.6 | Very low | 136 Ų | 136 | 137 Ų | 137 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | 86.7 | 97.3 | 176.8 | -169.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 274 | I | 36.7 | Very low | 36.1 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | 174.1 | 110.6 | 140.4 | -86.5 | 143.8 | 0 | 0 | 0 | 103.1 | ||||
| 275 | G | 33.5 | Very low | 35.8 | Very low | 57 Ų | 57 | 139.8 Ų | 139.8 | 59% | 0.588 | 81% | 0.807 | S | S | * | * | cis | 97.8 | 93.6 | 47.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 276 | M | 31 | Very low | 35.6 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | 27.4 | 113.4 | 154 | -56.4 | -168.5 | 72.5 | 0 | 0 | 117.8 | ||||
| 277 | I | 37.2 | Very low | 35.2 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -160 | 125.4 | 141 | -83.3 | 124.4 | 0 | 0 | 0 | 107.8 | ||||
| 278 | S | 32.6 | Very low | 35.1 | Very low | 97 Ų | 97 | 151.2 Ų | 151.2 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -68.1 | 148.7 | 172 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 279 | P | 37.8 | Very low | 34.8 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -100.8 | 76.4 | 166.4 | 35.9 | -25.1 | 0 | 0 | 0 | 110.3 | ||||
| 280 | D | 31.3 | Very low | 34.6 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | trans | -120.4 | 84.8 | 165.3 | -83.4 | -34 | 0 | 0 | 0 | 108.5 | ||||
| 281 | A | 35.3 | Very low | 34.4 | Very low | 85 Ų | 85 | 152.6 Ų | 152.6 | 70% | 0.702 | 83% | 0.829 | S | S | * | * | trans | 179.6 | 104 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 282 | Y | 35 | Very low | 34.3 | Very low | 233 Ų | 233 | 150.7 Ų | 150.7 | 91% | 0.914 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -170.4 | 127.4 | 139.8 | -98.8 | -71.1 | 0 | 0 | 0 | 108.1 | ||
| 283 | F | 34 | Very low | 34.1 | Very low | 192 Ų | 192 | 151.4 Ų | 151.4 | 84% | 0.842 | 83% | 0.832 | S | S | * | * | trans | 84.8 | 64.9 | 178.8 | -77.1 | -89.4 | 0 | 0 | 0 | 118.4 | ||||
| 284 | Q | 28.1 | Very low | 34.1 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -85.6 | 121.2 | 131.2 | -82.5 | -175.8 | -8.2 | 0 | 0 | 108.8 | ||||
| 285 | N | 35.5 | Very low | 34.1 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | trans | -174.3 | 138.9 | 147.3 | -103.8 | -10.6 | 0 | 0 | 0 | 107.1 | ||||
| 286 | E | 34.5 | Very low | 34.2 | Very low | 189 Ų | 189 | 150 Ų | 150 | 88% | 0.883 | 84% | 0.838 | S | S | * | * | trans | 96.3 | 67 | -173.5 | -60.8 | -77.9 | 143.9 | 0 | 0 | 115.7 | ||||
| 287 | L | 32.2 | Very low | 34.4 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 89% | 0.885 | 84% | 0.837 | S | S | * | * | trans | -162.9 | 87.7 | 145.3 | -112.4 | 165.7 | 0 | 0 | 0 | 108.4 | ||||
| 288 | N | 33.5 | Very low | 34.4 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | -171.5 | 73.2 | 162.2 | -111.8 | -1.9 | 0 | 0 | 0 | 112.1 | ||||
| 289 | I | 36.1 | Very low | 34.2 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 86% | 0.862 | 84% | 0.841 | S | S | * | * | trans | -145.9 | 77.8 | 151.7 | -51.4 | -177.1 | 0 | 0 | 0 | 108.4 | ||||
| 290 | L | 33.5 | Very low | 34.1 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 93% | 0.927 | 84% | 0.835 | S | S | * | * | trans | -141.7 | 82 | 161.7 | -89.5 | 175 | 0 | 0 | 0 | 108.4 | ||||
| 291 | S | 31.5 | Very low | 34.2 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | -167.1 | 125 | 152.8 | 66.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 292 | G | 34.7 | Very low | 34.1 | Very low | 72 Ų | 72 | 150 Ų | 150 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | 109.1 | 95.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 293 | L | 35.3 | Very low | 34 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 94% | 0.942 | 82% | 0.824 | S | S | * | * | -178.6 | 103.3 | 108.1 | -88.9 | 162.6 | 0 | 0 | 0 | 107.8 | |||||
| 294 | A | 37.6 | Very low | 34 | Very low | 78 Ų | 78 | 146.8 Ų | 146.8 | 65% | 0.645 | 82% | 0.824 | S | S | * | * | trans | -75.3 | 156.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 295 | N | 36.8 | Very low | 34.2 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 92% | 0.92 | 82% | 0.824 | S | S | * | * | trans | 95.2 | 117.2 | 163.8 | -51.9 | -31.1 | 0 | 0 | 0 | 117.1 | ||||
| 296 | G | 34.5 | Very low | 34.1 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | 147.7 | 73.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 297 | L | 34.6 | Very low | 34.3 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -56.2 | 161.3 | 155.7 | -109 | 85.9 | 0 | 0 | 0 | 110.7 | ||||
| 298 | P | 37.5 | Very low | 34.4 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | cis | -150 | 170.1 | 48.1 | 35 | -11 | 0 | 0 | 0 | 118.5 | ||||
| 299 | K | 29.8 | Very low | 34.4 | Very low | 196 Ų | 196 | 129.7 Ų | 129.7 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | -79.3 | 164.5 | 167.2 | -86.2 | -179 | 171.6 | 179.2 | 0 | 111.7 | ||||
| 300 | P | 34.7 | Very low | 34.3 | Very low | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | -153.6 | 153.1 | 91.7 | 38.4 | -18 | 0 | 0 | 0 | 118.2 | |||||
| 301 | T | 34.4 | Very low | 34.2 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | 54.4 | 153.8 | 137.8 | 59.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 302 | T | 32 | Very low | 34.3 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 63% | 0.632 | 80% | 0.8 | S | S | * | * | cis | 176.8 | 147.9 | -20.9 | -73.6 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 303 | E | 34.3 | Very low | 34.6 | Very low | 178 Ų | 178 | 123.7 Ų | 123.7 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 91.4 | 144 | 150.5 | -91.9 | 156.7 | -153.5 | 0 | 0 | 125 | ||||
| 304 | E | 33.9 | Very low | 35.2 | Very low | 181 Ų | 181 | 121.9 Ų | 121.9 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | 81.6 | 99.1 | 168.8 | -55.2 | -145.9 | 140 | 0 | 0 | 118.4 | ||||
| 305 | A | 31.8 | Very low | 35.8 | Very low | 105 Ų | 105 | 126 Ų | 126 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | 68.7 | 112.8 | 64.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 306 | G | 33.5 | Very low | 36.3 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | 168.6 | 73 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 307 | S | 37.5 | Very low | 37.2 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 28.8 | 129.4 | 145.9 | 65.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 308 | S | 34.1 | Very low | 37.9 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 88.7 | 115.7 | 121.8 | 70.9 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 309 | A | 33.8 | Very low | 38.7 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | 99.3 | 135.4 | 121.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 310 | A | 34.4 | Very low | 39.9 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 93% | 0.926 | 76% | 0.757 | S | S | * | * | trans | 77 | 133.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 311 | G | 31.2 | Very low | 40.7 | Very low | 66 Ų | 66 | 121.1 Ų | 121.1 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | cis | -179.3 | 126.1 | -2.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 312 | A | 33.2 | Very low | 41.9 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | 49.7 | 88.4 | 107 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 313 | T | 42.2 | Very low | 43 | Very low | 131 Ų | 131 | 119.8 Ų | 119.8 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -176.1 | 82.8 | 145.4 | 49.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 314 | D | 48.4 | Very low | 44.1 | Very low | 142 Ų | 142 | 115 Ų | 115 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | trans | -142.1 | 5 | 174.2 | -83.9 | -39.4 | 0 | 0 | 0 | 115.5 | ||||
| 315 | E | 48.6 | Very low | 45.3 | Very low | 166 Ų | 166 | 110.8 Ų | 110.8 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -92.3 | -22.1 | -178.7 | -83.2 | 179.9 | 143.4 | 0 | 0 | 114.7 | ||
| 316 | E | 48.4 | Very low | 46.4 | Very low | 168 Ų | 168 | 110.6 Ų | 110.6 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -81.1 | -30.7 | -173.5 | -148.8 | 171.9 | 179.6 | 0 | 0 | 112.8 | N318 Q319 K320 | E316-N318 VanDerWaalsContact C-N 3.33Å; E316-N318 PolarHBondContact O-N 3.28Å; E316-Q319 PolarHBondContact O-N 3.45Å; E316-K320 PolarHBondContact O-N 2.94Å |
| 317 | T | 54.1 | Low | 47.3 | Very low | 111 Ų | 111 | 111 Ų | 111 | 68% | 0.681 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.2 | -30.2 | 177.5 | -47.3 | 0 | 0 | 0 | 0 | 112.4 | Y321 | T317-Y321 PolarHBondContact O-N 3.42Å |
| 318 | N | 48.2 | Very low | 48.2 | Very low | 111 Ų | 111 | 110.2 Ų | 110.2 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.1 | -32.2 | 177.4 | -100.9 | -29.7 | 0 | 0 | 0 | 112.5 | E316 Y321 V322 | E316-N318 VanDerWaalsContact C-N 3.33Å; E316-N318 PolarHBondContact O-N 3.28Å; N318-Y321 PolarHBondContact O-N 3.35Å; N318-V322 WeakPolarHBondContact O-CG2 3.49Å; N318-V322 PolarHBondContact O-N 3.49Å |
| 319 | Q | 53.7 | Low | 48.9 | Very low | 139 Ų | 139 | 109.5 Ų | 109.5 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.9 | -37.1 | 176.8 | -68.9 | -179.1 | 11.5 | 0 | 0 | 112 | E316 Y321 V322 Q323 | E316-Q319 PolarHBondContact O-N 3.45Å; Q319-Y321 VanDerWaalsContact C-N 3.33Å; Q319-Y321 PolarHBondContact O-N 3.46Å; Q319-V322 PolarHBondContact O-N 2.96Å; Q319-Q323 WeakPolarHBondContact O-CB 3.27Å; Q319-Q323 PolarHBondContact O-N 2.92Å |
| 320 | K | 55.5 | Low | 49.3 | Very low | 146 Ų | 146 | 112 Ų | 112 | 64% | 0.635 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.5 | -37.1 | 174.4 | -167.5 | 166.1 | 179.7 | 178.6 | 0 | 112.3 | E316 Q323 D324 | E316-K320 PolarHBondContact O-N 2.94Å; K320-Q323 PolarHBondContact O-N 3.24Å; K320-D324 WeakPolarHBondContact O-CB 3.22Å; K320-D324 PolarHBondContact O-N 3.19Å |
| 321 | Y | 52.1 | Low | 49.8 | Very low | 66 Ų | 66 | 112 Ų | 112 | 26% | 0.259 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.7 | -38 | 176.6 | -173.3 | -118.7 | 0 | 0 | 0 | 113.1 | T317 N318 Q319 L325 | T317-Y321 PolarHBondContact O-N 3.42Å; N318-Y321 PolarHBondContact O-N 3.35Å; Q319-Y321 VanDerWaalsContact C-N 3.33Å; Q319-Y321 PolarHBondContact O-N 3.46Å; Y321-L325 HydrophobicContact CD1-CD1 4.04Å; Y321-L325 HydrophobicContact CE1-CD1 3.72Å; Y321-L325 HydrophobicContact CE2-CD1 4.31Å; Y321-L325 VanDerWaalsContact O-CG 3.29Å; Y321-L325 WeakPolarHBondContact O-CG 3.28Å; Y321-L325 PolarHBondContact O-N 3.21Å |
| 322 | V | 59.4 | Low | 50.2 | Low | 93 Ų | 93 | 116.5 Ų | 116.5 | 56% | 0.564 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.1 | -38.5 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 111 | N318 Q319 L325 L326 | N318-V322 WeakPolarHBondContact O-CG2 3.49Å; N318-V322 PolarHBondContact O-N 3.49Å; Q319-V322 PolarHBondContact O-N 2.96Å; V322-L325 PolarHBondContact O-N 3.07Å; V322-L326 PolarHBondContact O-N 3.05Å; V322-L326 VanDerWaalsContact O-N 3.12Å |
| 323 | Q | 54.9 | Low | 50.3 | Low | 106 Ų | 106 | 115 Ų | 115 | 50% | 0.495 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.5 | -39.9 | 178 | -162.9 | 65.3 | 38.9 | 0 | 0 | 112.4 | Q319 K320 L325 L326 N327 | Q319-Q323 WeakPolarHBondContact O-CB 3.27Å; Q319-Q323 PolarHBondContact O-N 2.92Å; K320-Q323 PolarHBondContact O-N 3.24Å; Q323-L325 VanDerWaalsContact C-N 3.34Å; Q323-L326 PolarHBondContact O-N 3.19Å; Q323-N327 PolarHBondContact O-N 3.31Å; Q323-N327 VanDerWaalsContact O-N 3.16Å |
| 324 | D | 56.9 | Low | 49.8 | Very low | 78 Ų | 78 | 115.9 Ų | 115.9 | 42% | 0.417 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.8 | -34.1 | 176.3 | -73 | -21.8 | 0 | 0 | 0 | 112 | K320 L326 I328 | K320-D324 WeakPolarHBondContact O-CB 3.22Å; K320-D324 PolarHBondContact O-N 3.19Å; D324-L326 VanDerWaalsContact C-N 3.34Å; D324-I328 WeakPolarHBondContact O-CD1 3.41Å; D324-I328 VanDerWaalsContact O-CG1 3.31Å; D324-I328 WeakPolarHBondContact O-CG1 3.28Å; D324-I328 PolarHBondContact O-N 3.12Å |
| 325 | L | 59.4 | Low | 49.2 | Very low | 93 Ų | 93 | 115.3 Ų | 115.3 | 49% | 0.487 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69 | -30.3 | 173.7 | -74.9 | 171.2 | 0 | 0 | 0 | 112.8 | Y321 V322 Q323 | Y321-L325 HydrophobicContact CD1-CD1 4.04Å; Y321-L325 HydrophobicContact CE1-CD1 3.72Å; Y321-L325 HydrophobicContact CE2-CD1 4.31Å; Y321-L325 VanDerWaalsContact O-CG 3.29Å; Y321-L325 WeakPolarHBondContact O-CG 3.28Å; Y321-L325 PolarHBondContact O-N 3.21Å; V322-L325 PolarHBondContact O-N 3.07Å; Q323-L325 VanDerWaalsContact C-N 3.34Å |
| 326 | L | 54.8 | Low | 48.5 | Very low | 101 Ų | 101 | 112.8 Ų | 112.8 | 53% | 0.529 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77.2 | -32.7 | 179 | -152.8 | 73.4 | 0 | 0 | 0 | 112.4 | V322 Q323 D324 | V322-L326 PolarHBondContact O-N 3.05Å; V322-L326 VanDerWaalsContact O-N 3.12Å; Q323-L326 PolarHBondContact O-N 3.19Å; D324-L326 VanDerWaalsContact C-N 3.34Å |
| 327 | N | 52.7 | Low | 47.8 | Very low | 83 Ų | 83 | 111 Ų | 111 | 44% | 0.444 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -74.1 | -26.7 | 177.7 | -76.7 | -14.8 | 0 | 0 | 0 | 113.3 | Q323 S329 | Q323-N327 PolarHBondContact O-N 3.31Å; Q323-N327 VanDerWaalsContact O-N 3.16Å; N327-S329 VanDerWaalsContact C-N 3.33Å |
| 328 | I | 55.5 | Low | 46.9 | Very low | 93 Ų | 93 | 110.7 Ų | 110.7 | 48% | 0.477 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -74.1 | -25.1 | 177.5 | -66.3 | 165.2 | 0 | 0 | 0 | 111.9 | D324 Q330 | D324-I328 WeakPolarHBondContact O-CD1 3.41Å; D324-I328 VanDerWaalsContact O-CG1 3.31Å; D324-I328 WeakPolarHBondContact O-CG1 3.28Å; D324-I328 PolarHBondContact O-N 3.12Å; I328-Q330 VanDerWaalsContact C-N 3.27Å; I328-Q330 PolarHBondContact O-N 2.85Å |
| 329 | S | 49 | Very low | 46.3 | Very low | 94 Ų | 94 | 111.9 Ų | 111.9 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -12.2 | 179.2 | -166.5 | 0 | 0 | 0 | 0 | 113.9 | N327 | N327-S329 VanDerWaalsContact C-N 3.33Š|
| 330 | Q | 43.7 | Very low | 45.3 | Very low | 152 Ų | 152 | 113.7 Ų | 113.7 | 71% | 0.71 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -7.5 | -177.3 | -64.7 | -175.2 | 10.7 | 0 | 0 | 113.8 | I328 | I328-Q330 VanDerWaalsContact C-N 3.27Å; I328-Q330 PolarHBondContact O-N 2.85Å |
| 331 | C | 43.1 | Very low | 44.4 | Very low | 112 Ų | 112 | 111.1 Ų | 111.1 | 76% | 0.757 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -95.1 | 4.2 | 178.7 | -61.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 332 | M | 39.8 | Very low | 43.7 | Very low | 160 Ų | 160 | 113.8 Ų | 113.8 | 79% | 0.788 | 68% | 0.676 | S | S | * | * | trans | -105.5 | 73.5 | 177.8 | -66.8 | -75.5 | -70.6 | 0 | 0 | 109.8 | ||||
| 333 | G | 35.7 | Very low | 42.4 | Very low | 71 Ų | 71 | 118.1 Ų | 118.1 | 73% | 0.732 | 69% | 0.69 | S | S | * | * | trans | -74.8 | 122.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 334 | N | 32.4 | Very low | 41.4 | Very low | 149 Ų | 149 | 120.4 Ų | 120.4 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | trans | -56.6 | 138.3 | 177.1 | -61.8 | -43.2 | 0 | 0 | 0 | 112.9 | ||||
| 335 | P | 34.5 | Very low | 40.3 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 84% | 0.844 | 71% | 0.712 | S | S | * | * | trans | -110.8 | 101.7 | 154.4 | 33.1 | -20 | 0 | 0 | 0 | 109.4 | ||||
| 336 | T | 35.2 | Very low | 39 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | trans | -116.7 | 114.9 | 169.5 | -44.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 337 | T | 33 | Very low | 38.1 | Very low | 131 Ų | 131 | 126 Ų | 126 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | 59.4 | 112.7 | 150.6 | 57.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 338 | A | 34.8 | Very low | 37.2 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | trans | -158.7 | 114.9 | 134.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 339 | V | 35.4 | Very low | 36.2 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -94.1 | 161.5 | 168.2 | 177.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 340 | E | 34.1 | Very low | 35.3 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | 85.3 | 140 | 176.5 | -64.5 | -177.3 | 89 | 0 | 0 | 116 | ||||
| 341 | S | 35.5 | Very low | 34.7 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | cis | -172.4 | 148.2 | -9.7 | -93.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 342 | S | 37.3 | Very low | 34.1 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | 75.2 | 128 | 147.2 | -58.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 343 | Q | 31.8 | Very low | 33.8 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -54.3 | 146.6 | 168 | -61.3 | 159.6 | 5.3 | 0 | 0 | 113.8 | ||||
| 344 | M | 34.5 | Very low | 33.7 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | 168.1 | 123.4 | 106.7 | -102.1 | -177.7 | 104.2 | 0 | 0 | 112.1 | |||||
| 345 | Q | 33.2 | Very low | 34 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 61% | 0.607 | 76% | 0.762 | S | S | * | * | trans | 53.4 | 121.8 | 131.3 | -114.1 | 113.1 | 10.6 | 0 | 0 | 122.4 | ||||
| 346 | Q | 32.3 | Very low | 33.8 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | 60.1 | 125.9 | 127.2 | -72.6 | 170.5 | 14.5 | 0 | 0 | 117.1 | |||||
| 347 | S | 35.8 | Very low | 34.1 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | cis | 172.8 | 157.5 | 45.7 | 43.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 348 | N | 35.4 | Very low | 34.2 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | 61.6 | 147.4 | 146 | -68.6 | -18.4 | 0 | 0 | 0 | 119.7 | ||||
| 349 | V | 32.7 | Very low | 34.4 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | cis | -179.2 | 145.6 | -18.5 | 128.5 | 0 | 0 | 0 | 0 | 102.5 | ||||
| 350 | S | 31.3 | Very low | 34.5 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | 64.6 | 146.3 | 162.7 | 49.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 351 | Q | 30.8 | Very low | 34.7 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | cis | -176 | 171.3 | 0.3 | -108.4 | 172.3 | -6.1 | 0 | 0 | 106.3 | ||||
| 352 | F | 31.2 | Very low | 34.8 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | trans | 91.9 | 96.9 | 151.2 | -81.9 | -74.9 | 0 | 0 | 0 | 121.3 | ||||
| 353 | T | 33.3 | Very low | 35 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | 57.3 | 134.7 | 127.5 | 56.1 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 354 | P | 33 | Very low | 35.7 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | -98.7 | 151.2 | 169.3 | 37.6 | -28.6 | 0 | 0 | 0 | 113.1 | ||||
| 355 | S | 38.5 | Very low | 36.1 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -121.1 | 137 | 175 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 356 | N | 31.4 | Very low | 36.6 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | trans | -53.6 | 155.3 | 179.6 | -70.1 | -48.2 | 0 | 0 | 0 | 116.2 | ||||
| 357 | T | 39.8 | Very low | 37.1 | Very low | 151 Ų | 151 | 131 Ų | 131 | 93% | 0.926 | 75% | 0.753 | S | S | * | * | trans | -147 | 159.7 | 139.9 | 37.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 358 | H | 35.2 | Very low | 37.4 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -128.7 | 172.3 | -139 | -179.9 | -55.2 | 0 | 0 | 0 | 111.1 | ||||
| 359 | L | 40.3 | Very low | 37.4 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | trans | 83.9 | 140.8 | 162.9 | -76.1 | 98 | 0 | 0 | 0 | 114.3 | ||||
| 360 | E | 36.6 | Very low | 37.6 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | cis | -160.4 | 165.7 | 18.9 | -137.2 | 156.8 | 111.7 | 0 | 0 | 113.1 | ||||
| 361 | S | 38.4 | Very low | 37.9 | Very low | 86 Ų | 86 | 133.5 Ų | 133.5 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | trans | -80.3 | 161.8 | -163.5 | 49.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 362 | N | 38.4 | Very low | 38.2 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | 179.4 | 131.3 | 118.3 | -88.1 | -30.3 | 0 | 0 | 0 | 114.2 | |||||
| 363 | G | 40.6 | Very low | 38.6 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | 110 | 77.4 | 134.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 364 | L | 47.1 | Very low | 38.8 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | 60.1 | 110.7 | 122.1 | -79.3 | 155.2 | 0 | 0 | 0 | 121.8 | |||||
| 365 | N | 42.4 | Very low | 39.3 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | 161.2 | 98.8 | 109 | -72.8 | -26.1 | 0 | 0 | 0 | 114 | |||||
| 366 | T | 43.4 | Very low | 39.5 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | 19 | 124.8 | 138.2 | -3.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 367 | T | 44.4 | Very low | 39.6 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | 171.2 | 115.6 | 96.9 | -63.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 368 | E | 41.2 | Very low | 39.3 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | trans | 40.4 | 147.2 | 137.5 | -57.4 | -174.1 | 119.4 | 0 | 0 | 121.4 | ||||
| 369 | Q | 35.3 | Very low | 39.2 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | cis | -176.4 | 139.5 | -4.3 | -106.1 | 179.4 | 28.5 | 0 | 0 | 103.5 | ||||
| 370 | A | 38.1 | Very low | 38.7 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | 156.9 | 90.1 | 138.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 371 | A | 36.3 | Very low | 38.6 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -62.9 | 165.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 372 | M | 38.4 | Very low | 38.3 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | -179.3 | 147.8 | 62.5 | -121 | 160 | 89.7 | 0 | 0 | 110.8 | |||||
| 373 | L | 38.9 | Very low | 38.2 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 71% | 0.707 | 78% | 0.779 | S | S | * | * | trans | 86.4 | 97.3 | 143.4 | -68.8 | 158.8 | 0 | 0 | 0 | 120.9 | ||||
| 374 | T | 38.1 | Very low | 38 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | 89.4 | 95.7 | 110 | -50.1 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 375 | A | 43.2 | Very low | 37.4 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | 59.1 | 140.1 | 124.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 376 | P | 41.1 | Very low | 37.1 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -96.8 | 158.3 | -173.4 | 39 | -33.4 | 0 | 0 | 0 | 113.6 | ||||
| 377 | L | 35.3 | Very low | 36.6 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 95% | 0.948 | 78% | 0.778 | S | S | * | * | trans | -138.5 | 124.9 | 163.2 | -154.6 | 82.5 | 0 | 0 | 0 | 111.5 | ||||
| 378 | V | 32.7 | Very low | 36 | Very low | 135 Ų | 135 | 136 Ų | 136 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -79.7 | 138.1 | 174 | 170.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 379 | A | 32.1 | Very low | 35.5 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 60% | 0.595 | 79% | 0.79 | S | S | * | * | 147.4 | 135.7 | 127.1 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 380 | Q | 30.2 | Very low | 35.4 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 62.9 | 110.8 | 151.1 | -80 | 155.5 | -73.2 | 0 | 0 | 118.5 | ||||
| 381 | L | 35.1 | Very low | 35 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | -158.6 | 141.8 | 126.2 | -100.1 | 162.4 | 0 | 0 | 0 | 110.6 | |||||
| 382 | Q | 31.9 | Very low | 34.8 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -68.4 | 143.4 | -172.6 | -62.3 | 152.6 | -72.9 | 0 | 0 | 111.7 | ||||
| 383 | A | 36.1 | Very low | 34.7 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | -136.2 | 101.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 384 | G | 36.3 | Very low | 34.5 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | -97.3 | 144.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 385 | N | 35.5 | Very low | 34.4 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | 76.7 | 125.5 | 149.9 | -99.6 | 24.3 | 0 | 0 | 0 | 121.3 | ||||
| 386 | I | 35.9 | Very low | 34.2 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 73% | 0.728 | 80% | 0.804 | S | S | * | * | trans | 90 | 94.5 | 142.3 | -54.9 | 155.1 | 0 | 0 | 0 | 116.7 | ||||
| 387 | M | 32.6 | Very low | 34.2 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | 172.6 | 128.3 | 103.2 | -90.2 | -129.5 | -80.8 | 0 | 0 | 112.4 | F389 | M387-F389 HydrophobicContact CE-CE2 4.46Å; M387-F389 PolarHBondContact O-N 3.23Å | |||
| 388 | H | 30.9 | Very low | 34.5 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -39 | 123.4 | 151.5 | -106.5 | -127.3 | 0 | 0 | 0 | 110.6 | ||||
| 389 | F | 31.5 | Very low | 34.8 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -121 | 129.2 | 160 | -112.3 | -94.7 | 0 | 0 | 0 | 110.9 | M387 | M387-F389 HydrophobicContact CE-CE2 4.46Å; M387-F389 PolarHBondContact O-N 3.23Å | ||
| 390 | V | 34.3 | Very low | 35.1 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 70% | 0.697 | 80% | 0.8 | S | S | * | * | trans | -73.9 | 141.3 | -167.9 | 167.8 | 0 | 0 | 0 | 0 | 110.3 | M392 | V390-M392 PolarHBondContact O-N 3.36Š| ||
| 391 | K | 28.5 | Very low | 35.5 | Very low | 207 Ų | 207 | 145 Ų | 145 | 90% | 0.9 | 79% | 0.792 | S | S | * | * | trans | -61.6 | 110.8 | 167.1 | -176.3 | 166.8 | -177.2 | 156.2 | 0 | 110 | ||||
| 392 | M | 31.6 | Very low | 35.9 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | -155.9 | 105.5 | 165.4 | -98.7 | -78.9 | 176.9 | 0 | 0 | 106.6 | V390 | V390-M392 PolarHBondContact O-N 3.36Š| ||
| 393 | D | 36.3 | Very low | 36.4 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | -155.1 | 86.5 | 154.3 | -86.4 | -41 | 0 | 0 | 0 | 107.3 | ||||
| 394 | S | 36 | Very low | 36.5 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -124.2 | 152.1 | 154.9 | -70.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 395 | I | 35.4 | Very low | 36.9 | Very low | 160 Ų | 160 | 148.7 Ų | 148.7 | 82% | 0.821 | 79% | 0.791 | S | S | * | * | trans | 95.6 | 96.6 | 178.5 | -39.3 | 152.1 | 0 | 0 | 0 | 113.9 | ||||
| 396 | L | 38.9 | Very low | 37 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | 171.6 | 111.7 | 112.7 | -114.6 | 101.4 | 0 | 0 | 0 | 110.6 | |||||
| 397 | N | 40.4 | Very low | 37.4 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | -176.2 | 141.4 | 111.1 | -98.5 | -18.2 | 0 | 0 | 0 | 112.7 | |||||
| 398 | P | 41.7 | Very low | 37.6 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -112.7 | -169.6 | -165 | 32.8 | -12.8 | 0 | 0 | 0 | 113.2 | ||||
| 399 | I | 39.5 | Very low | 38.2 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 104.2 | 94.6 | 163.5 | -51.8 | 157.7 | 0 | 0 | 0 | 114.4 | ||||
| 400 | L | 38.8 | Very low | 38.9 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | 172.2 | 117.5 | 95 | -161.2 | 60.1 | 0 | 0 | 0 | 112 | |||||
| 401 | A | 39 | Very low | 39 | Very low | 82 Ų | 82 | 140.5 Ų | 140.5 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | 64.4 | 125.1 | 142.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 402 | T | 41.8 | Very low | 39.7 | Very low | 124 Ų | 124 | 140 Ų | 140 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | 123.2 | 103.3 | 122.4 | -5.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 403 | Q | 44.1 | Very low | 39.9 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 91.2 | 115.7 | 150.2 | -50.6 | -150.4 | 6.2 | 0 | 0 | 120.6 | ||||
| 404 | P | 36.7 | Very low | 40 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -105 | 147.6 | 175.6 | 37.8 | -27.8 | 0 | 0 | 0 | 112.9 | ||||
| 405 | L | 45 | Very low | 40.3 | Very low | 186 Ų | 186 | 138.6 Ų | 138.6 | 97% | 0.974 | 79% | 0.791 | S | S | * | * | trans | -132.8 | 133.5 | 148.2 | -81.9 | -178.2 | 0 | 0 | 0 | 110.8 | ||||
| 406 | L | 37.9 | Very low | 40.5 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -81.2 | 136 | -165 | -178.8 | 85.7 | 0 | 0 | 0 | 112.5 | ||||
| 407 | V | 44.4 | Very low | 40.4 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | -165.6 | 127.7 | 128.7 | -166.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 408 | P | 37.8 | Very low | 40.5 | Very low | 90 Ų | 90 | 137 Ų | 137 | 58% | 0.584 | 79% | 0.791 | S | S | * | * | trans | -107.2 | 157.1 | 171.9 | 37.3 | -27 | 0 | 0 | 0 | 112.8 | ||||
| 409 | L | 41.9 | Very low | 40.3 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | 153.6 | 135.3 | 127 | -83.4 | 155.4 | 0 | 0 | 0 | 116.1 | |||||
| 410 | A | 46.5 | Very low | 40.5 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 63% | 0.628 | 79% | 0.794 | S | S | * | * | trans | 83.6 | 127.9 | 140.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 411 | P | 36.9 | Very low | 41.1 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -94.5 | 144.8 | 161.5 | 36.2 | -27 | 0 | 0 | 0 | 111.1 | ||||
| 412 | F | 43.5 | Very low | 41.3 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -123.7 | 119.2 | 174.8 | -104.5 | -86.3 | 0 | 0 | 0 | 111.2 | ||||
| 413 | N | 34.6 | Very low | 41.4 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -85.7 | 140 | 149.7 | -93.8 | -3.2 | 0 | 0 | 0 | 107.9 | ||||
| 414 | G | 40.3 | Very low | 41.5 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -152.8 | 127.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 415 | L | 41.6 | Very low | 41.8 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -72.9 | 165.4 | -170.3 | -70.5 | 141 | 0 | 0 | 0 | 115.4 | F417 | L415-F417 HydrophobicContact CB-CD2 4.5Å; L415-F417 HydrophobicContact CB-CE2 4.05Å; L415-F417 HydrophobicContact CD1-CE2 4.44Å; L415-F417 HydrophobicContact CD2-CE2 4.09Å; L415-F417 HydrophobicContact CD2-CZ 4.16Å; L415-F417 HydrophobicContact CG-CE2 4.43Å | ||
| 416 | G | 38.5 | Very low | 41.6 | Very low | 78 Ų | 78 | 136.4 Ų | 136.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -166.8 | 111.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 417 | F | 37.5 | Very low | 42.1 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | trans | -83.5 | 154.9 | -169 | -67.4 | -103.5 | 0 | 0 | 0 | 114.8 | L415 | L415-F417 HydrophobicContact CB-CD2 4.5Å; L415-F417 HydrophobicContact CB-CE2 4.05Å; L415-F417 HydrophobicContact CD1-CE2 4.44Å; L415-F417 HydrophobicContact CD2-CE2 4.09Å; L415-F417 HydrophobicContact CD2-CZ 4.16Å; L415-F417 HydrophobicContact CG-CE2 4.43Å | ||
| 418 | H | 43.5 | Very low | 42 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -149.6 | 147.1 | 135.5 | -155.6 | 68.8 | 0 | 0 | 0 | 111.4 | ||||
| 419 | F | 36.4 | Very low | 42.2 | Very low | 148 Ų | 148 | 133 Ų | 133 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | trans | -110.3 | 150.6 | -157.4 | -129.3 | -105.9 | 0 | 0 | 0 | 110.5 | P421 | F419-P421 HydrophobicContact CD1-CG 4.1Å; F419-P421 HydrophobicContact CE1-CG 4.06Å | ||
| 420 | D | 44.2 | Very low | 42.3 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -167 | 123.4 | 144.5 | -92.4 | -28.7 | 0 | 0 | 0 | 109.3 | ||||
| 421 | P | 50.8 | Low | 42.2 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 62% | 0.623 | 77% | 0.768 | S | S | * | * | trans | -125.2 | 174.7 | 173.5 | 38 | -22.8 | 0 | 0 | 0 | 114.1 | F419 | F419-P421 HydrophobicContact CD1-CG 4.1Å; F419-P421 HydrophobicContact CE1-CG 4.06Å | ||
| 422 | E | 42.9 | Very low | 42.5 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 101.5 | 136.5 | 169.3 | -64.3 | -155.4 | 140.7 | 0 | 0 | 117.1 | ||||
| 423 | A | 43.7 | Very low | 42.6 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 57% | 0.57 | 76% | 0.764 | S | S | * | * | cis | -170.7 | 160.2 | -14.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 424 | H | 46.9 | Very low | 43 | Very low | 150 Ų | 150 | 122.8 Ų | 122.8 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | trans | 85 | 115.5 | 143.7 | -67.9 | -50.8 | 0 | 0 | 0 | 124.5 | ||||
| 425 | K | 43.6 | Very low | 43.2 | Very low | 182 Ų | 182 | 127.8 Ų | 127.8 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | 71.8 | 143.1 | 126.9 | -68.7 | 175.5 | -177.2 | 177.4 | 0 | 117.7 | |||||
| 426 | S | 41.2 | Very low | 43.3 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | cis | 176.6 | 155.9 | -4.6 | 55.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 427 | V | 46.5 | Very low | 43.5 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 92.9 | 102.2 | 138.7 | 169 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 428 | T | 43.5 | Very low | 44.2 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | 72.8 | 133.3 | 126.4 | 64.8 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 429 | G | 41.7 | Very low | 44.3 | Very low | 60 Ų | 60 | 124 Ų | 124 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | 130.3 | 96.7 | 129.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 430 | T | 44.3 | Very low | 44.7 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | 49.8 | 134.1 | 97.3 | 51.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 431 | A | 43.5 | Very low | 44.8 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | cis | -174.3 | 173.8 | 7.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 432 | A | 43.4 | Very low | 44.4 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | 96.6 | 111.3 | 141.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 433 | A | 45.5 | Very low | 44.6 | Very low | 100 Ų | 100 | 125 Ų | 125 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | 66.9 | 143.1 | 117.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 434 | S | 43.9 | Very low | 44.5 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 60% | 0.601 | 76% | 0.76 | S | S | * | * | cis | -174.9 | 162.1 | -8.7 | 71.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 435 | K | 44.8 | Very low | 44.5 | Very low | 182 Ų | 182 | 128.4 Ų | 128.4 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 85.7 | 126.3 | 145.2 | -68.9 | 167.6 | -165.2 | -175.2 | 0 | 121.4 | ||||
| 436 | H | 43.4 | Very low | 44.6 | Very low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | trans | 107.9 | 138.5 | 138.9 | -85.8 | 2.3 | 0 | 0 | 0 | 120 | ||||
| 437 | S | 42 | Very low | 45 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -151.2 | 174.2 | -159.5 | 163.4 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 438 | P | 52.5 | Low | 45.5 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | cis | -125.2 | -179.4 | -39.9 | 31.6 | -14 | 0 | 0 | 0 | 110.9 | ||||
| 439 | A | 44.7 | Very low | 46.7 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 156 | 135.8 | 130.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 440 | A | 46.5 | Very low | 47.2 | Very low | 96 Ų | 96 | 148 Ų | 148 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | 54 | 117 | 148.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 441 | E | 44.6 | Very low | 47.4 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | 150.3 | 109.5 | 104.2 | -163.6 | 163 | -178 | 0 | 0 | 111.9 | |||||
| 442 | R | 43.6 | Very low | 47.6 | Very low | 222 Ų | 222 | 151 Ų | 151 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | 45 | 128.7 | 134.6 | -127 | 174.9 | -161.8 | 167.2 | 2.5 | 119.8 | ||||
| 443 | V | 47.5 | Very low | 47.8 | Very low | 126 Ų | 126 | 154.2 Ų | 154.2 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | 127.4 | 103.3 | 138.5 | -179.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 444 | S | 41.8 | Very low | 48 | Very low | 97 Ų | 97 | 157.4 Ų | 157.4 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | 44.2 | 113.5 | 132.8 | -159.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 445 | K | 46.1 | Very low | 48.2 | Very low | 195 Ų | 195 | 161.8 Ų | 161.8 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | 176.4 | 128.2 | 112.7 | -92.3 | 159 | -173.7 | 178 | 0 | 111.6 | |||||
| 446 | R | 45 | Very low | 48.5 | Very low | 236 Ų | 236 | 160.5 Ų | 160.5 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -3.3 | 131 | 156 | -53.7 | 175.7 | -155.5 | 170 | 4.8 | 117.1 | ||||
| 447 | Y | 49.8 | Very low | 48.8 | Very low | 238 Ų | 238 | 158.4 Ų | 158.4 | 93% | 0.933 | 82% | 0.82 | S | S | * | * | trans | -155.7 | 136 | 134.1 | -116.7 | -85.9 | 0 | 0 | 0 | 110.4 | ||||
| 448 | S | 57.7 | Low | 49.4 | Very low | 107 Ų | 107 | 162.8 Ų | 162.8 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -79.8 | 146.2 | 179 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 449 | P | 67.9 | Low | 49.1 | Very low | 119 Ų | 119 | 166.8 Ų | 166.8 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -89.4 | 138.4 | 170.5 | 34.4 | -27.7 | 0 | 0 | 0 | 110.8 | ||||
| 450 | Y | 53.9 | Low | 49.5 | Very low | 303 Ų | 303 | 173.3 Ų | 173.3 | 100% | 1.188 | 84% | 0.839 | S | S | * | * | trans | -74.4 | 0 | 146.9 | -99.3 | -88.9 | 0 | 0 | 0 | 109.4 |
Retrieved 450 of 450 residues in 249.3 ms
(Link to these results)