| 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 | 47.6 | Very low | 53 | Low | 164 Ų | 164 | 143.5 Ų | 143.5 | 81% | 0.808 | 67% | 0.669 | S | S | * | * | 0 | 121.5 | 0 | -81.7 | -169.8 | -72 | 0 | 0 | 109.7 | E5 | M1-E5 WeakPolarHBondContact CA-OE2 3.48Š| |||
| 2 | S | 57.4 | Low | 51.3 | Low | 53 Ų | 53 | 138.8 Ų | 138.8 | 37% | 0.371 | 66% | 0.658 | S | S | . | * | trans | -76.4 | 163.6 | 177.1 | 81.3 | 0 | 0 | 0 | 0 | 111.2 | E4 E5 R6 | S2-E4 PolarHBondContact O-N 3.46Å; S2-E4 PolarHBondContact OG-N 3.01Å; S2-E5 PolarHBondContact N-OE2 3.17Å; S2-E5 PolarHBondContact O-N 2.91Å; S2-E5 PolarHBondContact OG-N 3.34Å; S2-R6 PolarHBondContact O-N 2.96Å | ||
| 3 | K | 66.5 | Low | 50.1 | Low | 195 Ų | 195 | 144.8 Ų | 144.8 | 85% | 0.848 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -58.2 | -30.4 | 176.8 | -111.8 | -179.5 | 176.4 | -179.4 | 0 | 112.3 | A7 | K3-A7 PolarHBondContact O-N 3.37Å |
| 4 | E | 67.4 | Low | 49.1 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 72% | 0.724 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.5 | -41.2 | -179 | -65.2 | 160.6 | 170.6 | 0 | 0 | 111.3 | S2 R6 A7 W8 | S2-E4 PolarHBondContact O-N 3.46Å; S2-E4 PolarHBondContact OG-N 3.01Å; E4-R6 VanDerWaalsContact C-N 3.3Å; E4-R6 PolarHBondContact O-N 2.81Å; E4-A7 PolarHBondContact O-N 3.26Å; E4-A7 VanDerWaalsContact O-N 3.12Å; E4-W8 PolarHBondContact O-N 3.29Å; E4-W8 VanDerWaalsContact O-N 3.11Å |
| 5 | E | 58.9 | Low | 48.5 | Very low | 103 Ų | 103 | 143 Ų | 143 | 48% | 0.481 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -63.4 | -35.5 | 175.6 | -68.1 | 174.3 | 140 | 0 | 0 | 112.1 | M1 S2 Q9 | M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; S2-E5 PolarHBondContact N-OE2 3.17Å; S2-E5 PolarHBondContact O-N 2.91Å; S2-E5 PolarHBondContact OG-N 3.34Å; E5-Q9 PolarHBondContact O-N 3.26Å |
| 6 | R | 56.2 | Low | 47.6 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 64% | 0.642 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -69.9 | -29.6 | 174.3 | -81 | -177.2 | 172.6 | 172.1 | -1.5 | 113.4 | S2 E4 | S2-R6 PolarHBondContact O-N 2.96Å; E4-R6 VanDerWaalsContact C-N 3.3Å; E4-R6 PolarHBondContact O-N 2.81Å |
| 7 | A | 58 | Low | 47.1 | Very low | 61 Ų | 61 | 147.3 Ų | 147.3 | 50% | 0.504 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -73.5 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K3 E4 Q9 R10 T11 | K3-A7 PolarHBondContact O-N 3.37Å; E4-A7 PolarHBondContact O-N 3.26Å; E4-A7 VanDerWaalsContact O-N 3.12Å; A7-Q9 PolarHBondContact O-N 3.13Å; A7-R10 PolarHBondContact O-N 2.99Å; A7-T11 PolarHBondContact O-OG1 3.49Å |
| 8 | W | 45.5 | Very low | 46.5 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 76% | 0.758 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -65.3 | -37.1 | -179.2 | -155.9 | -73.4 | 0 | 0 | 0 | 113.2 | E4 R10 T11 T12 | E4-W8 PolarHBondContact O-N 3.29Å; E4-W8 VanDerWaalsContact O-N 3.11Å; W8-R10 PolarHBondContact O-N 3.4Å; W8-T11 PolarHBondContact O-N 3.41Å; W8-T12 PolarHBondContact O-OG1 3.46Å |
| 9 | Q | 44.5 | Very low | 45.7 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -66.1 | -19.8 | 179.2 | -75.5 | -170.6 | -11.3 | 0 | 0 | 114.2 | E5 A7 | E5-Q9 PolarHBondContact O-N 3.26Å; A7-Q9 PolarHBondContact O-N 3.13Å |
| 10 | R | 42.8 | Very low | 45.4 | Very low | 211 Ų | 211 | 144.8 Ų | 144.8 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -83.9 | -20 | 179.9 | -80.8 | -175.6 | 170.7 | 173.6 | -3.2 | 114.2 | A7 W8 | A7-R10 PolarHBondContact O-N 2.99Å; W8-R10 PolarHBondContact O-N 3.4Å |
| 11 | T | 37.9 | Very low | 45.1 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -106.6 | -9.4 | -170.8 | -16.6 | 0 | 0 | 0 | 0 | 114 | A7 W8 Y13 | A7-T11 PolarHBondContact O-OG1 3.49Å; W8-T11 PolarHBondContact O-N 3.41Å; T11-Y13 PolarHBondContact O-N 3.29Å |
| 12 | T | 32.6 | Very low | 44.9 | Very low | 87 Ų | 87 | 144.5 Ų | 144.5 | 53% | 0.534 | 69% | 0.694 | S | S | . | * | trans | -101.5 | 71.9 | 171.8 | 19.6 | 0 | 0 | 0 | 0 | 109.7 | W8 K14 | W8-T12 PolarHBondContact O-OG1 3.46Å; T12-K14 PolarHBondContact O-N 2.73Å | ||
| 13 | Y | 36.5 | Very low | 44.4 | Very low | 217 Ų | 217 | 148 Ų | 148 | 85% | 0.851 | 71% | 0.709 | S | S | * | * | trans | -63.6 | 92 | 147.5 | -74.2 | -87 | 0 | 0 | 0 | 105.5 | T11 A15 | T11-Y13 PolarHBondContact O-N 3.29Å; Y13-A15 VanDerWaalsContact C-N 3.35Å; Y13-A15 PolarHBondContact O-N 3.18Å | ||
| 14 | K | 35.8 | Very low | 43.5 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 76% | 0.757 | 70% | 0.695 | S | S | * | * | trans | -55 | 111.3 | 158 | -84.6 | -178.5 | 172.1 | -178.4 | 0 | 104.3 | T12 E16 | T12-K14 PolarHBondContact O-N 2.73Å; K14-E16 PolarHBondContact O-N 2.93Å | ||
| 15 | A | 39.6 | Very low | 42.6 | Very low | 88 Ų | 88 | 145 Ų | 145 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | -63.5 | 81.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106 | Y13 Y17 | Y13-A15 VanDerWaalsContact C-N 3.35Å; Y13-A15 PolarHBondContact O-N 3.18Å; A15-Y17 PolarHBondContact O-N 3.42Å | ||
| 16 | E | 35.2 | Very low | 41.9 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 76% | 0.757 | 69% | 0.693 | S | S | * | * | trans | -61.2 | 97.7 | 159.8 | -73 | -178.2 | 172.7 | 0 | 0 | 104 | K14 V18 | K14-E16 PolarHBondContact O-N 2.93Å; E16-V18 PolarHBondContact O-N 2.85Å | ||
| 17 | Y | 37.7 | Very low | 41.6 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | trans | -53.6 | 100.5 | 163 | -106.1 | -96.2 | 0 | 0 | 0 | 105.3 | A15 E19 | A15-Y17 PolarHBondContact O-N 3.42Å; Y17-E19 VanDerWaalsContact C-N 3.32Å; Y17-E19 PolarHBondContact O-N 3.26Å | ||
| 18 | V | 37.1 | Very low | 41.1 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | trans | -65.5 | 106.3 | 160.7 | 179.5 | 0 | 0 | 0 | 0 | 103.4 | E16 V20 | E16-V18 PolarHBondContact O-N 2.85Å; V18-V20 VanDerWaalsContact C-N 3.28Å; V18-V20 PolarHBondContact O-N 3.14Å | ||
| 19 | E | 30.6 | Very low | 41.2 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | trans | -52.5 | 100.3 | 168.2 | -78.2 | -177.9 | 165.2 | 0 | 0 | 106.9 | Y17 P21 | Y17-E19 VanDerWaalsContact C-N 3.32Å; Y17-E19 PolarHBondContact O-N 3.26Å; E19-P21 VanDerWaalsContact O-CD 3.3Å; E19-P21 WeakPolarHBondContact O-CD 3.28Å | ||
| 20 | V | 40.4 | Very low | 41.5 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | trans | -67.6 | 119.7 | 170 | -105 | 0 | 0 | 0 | 0 | 105.2 | V18 Y22 | V18-V20 VanDerWaalsContact C-N 3.28Å; V18-V20 PolarHBondContact O-N 3.14Å; V20-Y22 PolarHBondContact O-N 2.86Å | ||
| 21 | P | 39.3 | Very low | 41.9 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 81% | 0.805 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -65.4 | 3.5 | -173.5 | -21.6 | 32.9 | 0 | 0 | 0 | 115 | E19 | E19-P21 VanDerWaalsContact O-CD 3.3Å; E19-P21 WeakPolarHBondContact O-CD 3.28Å |
| 22 | Y | 44.2 | Very low | 42.9 | Very low | 178 Ų | 178 | 130 Ų | 130 | 70% | 0.698 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -118.9 | 113.5 | 179.2 | -73.4 | -85.3 | 0 | 0 | 0 | 108.6 | V20 W24 | V20-Y22 PolarHBondContact O-N 2.86Å; Y22-W24 VanDerWaalsContact C-N 3.26Å; Y22-W24 VanDerWaalsContact O-CD1 3.25Å; Y22-W24 PolarHBondContact O-N 2.86Å |
| 23 | D | 45.6 | Very low | 44.6 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 67% | 0.674 | 70% | 0.701 | S | S | * | * | trans | -71.6 | 78.6 | -176.7 | -142 | -12.6 | 0 | 0 | 0 | 110.1 | H25 | D23-H25 PolarHBondContact O-N 2.77Š| ||
| 24 | W | 47.9 | Very low | 46.2 | Very low | 149 Ų | 149 | 133 Ų | 133 | 56% | 0.564 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 0.2 | 169.2 | -67 | 98.6 | 0 | 0 | 0 | 111.9 | Y22 H63 | Y22-W24 VanDerWaalsContact C-N 3.26Å; Y22-W24 VanDerWaalsContact O-CD1 3.25Å; Y22-W24 PolarHBondContact O-N 2.86Å; W24-H63 AromaticContact CH2-CD2 3.99Å |
| 25 | H | 47.8 | Very low | 48.3 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 65% | 0.648 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 9.7 | -176.9 | -72 | -60 | 0 | 0 | 0 | 114.5 | D23 A27 | D23-H25 PolarHBondContact O-N 2.77Å; H25-A27 PolarHBondContact O-N 2.82Å |
| 26 | D | 45.5 | Very low | 50.3 | Low | 96 Ų | 96 | 127.4 Ų | 127.4 | 51% | 0.513 | 66% | 0.659 | S | S | . | * | trans | -65.2 | 83.7 | 160.1 | -91.9 | -21.7 | 0 | 0 | 0 | 109.2 | E28 A29 | D26-E28 PolarHBondContact O-N 2.79Å; D26-A29 HydrophobicContact CB-CB 4.17Å; D26-A29 WeakPolarHBondContact O-CB 3.49Å; D26-A29 PolarHBondContact O-N 3.28Å | ||
| 27 | A | 48.3 | Very low | 52.7 | Low | 73 Ų | 73 | 125.8 Ų | 125.8 | 60% | 0.603 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -17.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H25 | H25-A27 PolarHBondContact O-N 2.82Š|
| 28 | E | 47.8 | Very low | 54.8 | Low | 146 Ų | 146 | 123 Ų | 123 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -31.1 | 172.9 | -69.3 | -173.3 | 147.4 | 0 | 0 | 113.4 | D26 A30 K31 | D26-E28 PolarHBondContact O-N 2.79Å; E28-A30 VanDerWaalsContact C-N 3.29Å; E28-K31 PolarHBondContact O-N 3.05Å |
| 29 | A | 48.8 | Very low | 56.9 | Low | 85 Ų | 85 | 119 Ų | 119 | 70% | 0.702 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -72.6 | -24 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D26 K31 | D26-A29 HydrophobicContact CB-CB 4.17Å; D26-A29 WeakPolarHBondContact O-CB 3.49Å; D26-A29 PolarHBondContact O-N 3.28Å; A29-K31 VanDerWaalsContact C-N 3.27Å; A29-K31 PolarHBondContact O-N 2.82Å |
| 30 | A | 50.9 | Low | 59.4 | Low | 79 Ų | 79 | 115 Ų | 115 | 65% | 0.653 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -79.2 | -0.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | E28 G32 | E28-A30 VanDerWaalsContact C-N 3.29Å; A30-G32 PolarHBondContact O-N 3.46Å |
| 31 | K | 50.9 | Low | 61.7 | Low | 164 Ų | 164 | 117.8 Ų | 117.8 | 71% | 0.713 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -77.3 | 2.4 | 179.8 | -71.7 | -179.7 | -178.7 | 167.5 | 0 | 114.4 | E28 A29 | E28-K31 PolarHBondContact O-N 3.05Å; A29-K31 VanDerWaalsContact C-N 3.27Å; A29-K31 PolarHBondContact O-N 2.82Å |
| 32 | G | 58.9 | Low | 63.9 | Low | 52 Ų | 52 | 116.4 Ų | 116.4 | 54% | 0.536 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -98.2 | 148.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A30 W34 | A30-G32 PolarHBondContact O-N 3.46Å; G32-W34 PolarHBondContact O-N 2.81Å |
| 33 | E | 67.4 | Low | 66.1 | Low | 199 Ų | 199 | 109.6 Ų | 109.6 | 93% | 0.93 | 57% | 0.567 | S | S | * | * | trans | -58.4 | 123.8 | 167.4 | -152.1 | 167.4 | -161.9 | 0 | 0 | 108.1 | D35 | E33-D35 PolarHBondContact O-N 3.2Å; E33-D35 VanDerWaalsContact O-N 3.12Å | ||
| 34 | W | 69.4 | Low | 68.1 | Low | 170 Ų | 170 | 106.3 Ų | 106.3 | 64% | 0.644 | 55% | 0.554 | S | S | * | * | trans | -70.9 | 110 | -177.5 | 179.3 | 78.1 | 0 | 0 | 0 | 109.3 | G32 V36 Y39 | G32-W34 PolarHBondContact O-N 2.81Å; W34-V36 HydrophobicContact CE3-CG2 3.83Å; W34-V36 HydrophobicContact CH2-CB 4.28Å; W34-V36 HydrophobicContact CH2-CG1 4.44Å; W34-V36 HydrophobicContact CH2-CG2 3.49Å; W34-V36 VanDerWaalsContact CH2-CG2 3.49Å; W34-V36 HydrophobicContact CZ2-CG2 4.36Å; W34-V36 HydrophobicContact CZ3-CB 4.33Å; W34-V36 HydrophobicContact CZ3-CG2 3.17Å; W34-Y39 HydrophobicContact CZ2-CD1 4.17Å | ||
| 35 | D | 80.6 | Confident | 70.3 | Confident | 79 Ų | 79 | 103.8 Ų | 103.8 | 42% | 0.422 | 56% | 0.555 | S | S | . | * | trans | -96.3 | 114 | 179.5 | -178 | -40.7 | 0 | 0 | 0 | 109.1 | E33 E37 K38 Y39 | E33-D35 PolarHBondContact O-N 3.2Å; E33-D35 VanDerWaalsContact O-N 3.12Å; D35-E37 VanDerWaalsContact C-N 3.33Å; D35-E37 WeakPolarHBondContact OD1-CA 3.38Å; D35-E37 WeakPolarHBondContact OD1-CB 3.3Å; D35-E37 PolarHBondContact OD1-N 2.85Å; D35-K38 HydrophobicContact CB-CB 3.97Å; D35-K38 PolarHBondContact OD1-N 2.82Å; D35-Y39 WeakPolarHBondContact O-CB 3.46Å; D35-Y39 PolarHBondContact O-N 2.99Å | ||
| 36 | V | 80.9 | Confident | 72.4 | Confident | 64 Ų | 64 | 103.6 Ų | 103.6 | 39% | 0.388 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -44.4 | -178.3 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | W34 Y39 M40 | W34-V36 HydrophobicContact CE3-CG2 3.83Å; W34-V36 HydrophobicContact CH2-CB 4.28Å; W34-V36 HydrophobicContact CH2-CG1 4.44Å; W34-V36 HydrophobicContact CH2-CG2 3.49Å; W34-V36 VanDerWaalsContact CH2-CG2 3.49Å; W34-V36 HydrophobicContact CZ2-CG2 4.36Å; W34-V36 HydrophobicContact CZ3-CB 4.33Å; W34-V36 HydrophobicContact CZ3-CG2 3.17Å; V36-Y39 PolarHBondContact O-N 2.9Å; V36-M40 HydrophobicContact CG1-CG 4.2Å; V36-M40 WeakPolarHBondContact O-CB 3.22Å; V36-M40 VanDerWaalsContact O-CG 3.26Å; V36-M40 WeakPolarHBondContact O-CG 3.3Å; V36-M40 PolarHBondContact O-N 3.1Å |
| 37 | E | 86.2 | Confident | 74.7 | Confident | 129 Ų | 129 | 103.5 Ų | 103.5 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.3 | -45.8 | -176.9 | -68.7 | 73.4 | -167.5 | 0 | 0 | 110.8 | D35 M40 Q41 | D35-E37 VanDerWaalsContact C-N 3.33Å; D35-E37 WeakPolarHBondContact OD1-CA 3.38Å; D35-E37 WeakPolarHBondContact OD1-CB 3.3Å; D35-E37 PolarHBondContact OD1-N 2.85Å; E37-M40 PolarHBondContact O-N 2.79Å; E37-Q41 VanDerWaalsContact O-CG 3.28Å; E37-Q41 WeakPolarHBondContact O-CG 3.38Å; E37-Q41 PolarHBondContact O-N 3.42Å |
| 38 | K | 81.9 | Confident | 76.7 | Confident | 137 Ų | 137 | 103.5 Ų | 103.5 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 175.8 | -171.6 | -178.3 | -179.5 | -177.1 | 0 | 111.9 | D35 Q41 | D35-K38 HydrophobicContact CB-CB 3.97Å; D35-K38 PolarHBondContact OD1-N 2.82Å; K38-Q41 PolarHBondContact O-N 3.02Å |
| 39 | Y | 82 | Confident | 78.8 | Confident | 37 Ų | 37 | 102.8 Ų | 102.8 | 15% | 0.145 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 176.4 | 177.7 | -111.1 | 0 | 0 | 0 | 111.4 | W34 D35 V36 Q41 N42 V43 N61 L62 H63 F66 | W34-Y39 HydrophobicContact CZ2-CD1 4.17Å; D35-Y39 WeakPolarHBondContact O-CB 3.46Å; D35-Y39 PolarHBondContact O-N 2.99Å; V36-Y39 PolarHBondContact O-N 2.9Å; Y39-Q41 VanDerWaalsContact C-N 3.33Å; Y39-Q41 PolarHBondContact O-N 2.92Å; Y39-N42 PolarHBondContact O-N 2.84Å; Y39-N42 VanDerWaalsContact O-N 3.13Å; Y39-V43 HydrophobicContact CE1-CG2 4.23Å; Y39-V43 PolarHBondContact O-N 3.09Å; Y39-N61 WeakPolarHBondContact CE2-O 3.36Å; Y39-N61 PolarHBondContact OH-O 2.81Å; Y39-L62 WeakPolarHBondContact OH-CA 3.44Å; Y39-H63 PolarHBondContact OH-N 3.38Å; Y39-F66 HydrophobicContact CE1-CD2 4.41Å; Y39-F66 AromaticContact CE1-CE2 3.97Å; Y39-F66 HydrophobicContact CE1-CE2 3.97Å |
| 40 | M | 83.5 | Confident | 80.9 | Confident | 91 Ų | 91 | 105.5 Ų | 105.5 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 178.2 | -73 | -69.3 | 99.7 | 0 | 0 | 113.3 | V36 E37 N42 V43 | V36-M40 HydrophobicContact CG1-CG 4.2Å; V36-M40 WeakPolarHBondContact O-CB 3.22Å; V36-M40 VanDerWaalsContact O-CG 3.26Å; V36-M40 WeakPolarHBondContact O-CG 3.3Å; V36-M40 PolarHBondContact O-N 3.1Å; E37-M40 PolarHBondContact O-N 2.79Å; M40-N42 PolarHBondContact O-N 2.97Å; M40-V43 HydrophobicContact CE-CG2 3.83Å; M40-V43 PolarHBondContact O-N 3.12Å |
| 41 | Q | 87 | Confident | 82.9 | Confident | 156 Ų | 156 | 104.4 Ų | 104.4 | 73% | 0.729 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.9 | -28 | 174.5 | -76.7 | 171.3 | 14.6 | 0 | 0 | 113.3 | E37 K38 Y39 | E37-Q41 VanDerWaalsContact O-CG 3.28Å; E37-Q41 WeakPolarHBondContact O-CG 3.38Å; E37-Q41 PolarHBondContact O-N 3.42Å; K38-Q41 PolarHBondContact O-N 3.02Å; Y39-Q41 VanDerWaalsContact C-N 3.33Å; Y39-Q41 PolarHBondContact O-N 2.92Å |
| 42 | N | 86.7 | Confident | 84.8 | Confident | 94 Ų | 94 | 104 Ų | 104 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -86.8 | -17.5 | 179.2 | -66.9 | -27.3 | 0 | 0 | 0 | 113 | Y39 M40 S44 N61 | Y39-N42 PolarHBondContact O-N 2.84Å; Y39-N42 VanDerWaalsContact O-N 3.13Å; M40-N42 PolarHBondContact O-N 2.97Å; N42-S44 PolarHBondContact O-N 3.06Å; N42-N61 HydrophobicContact CB-CB 4.45Å; N42-N61 WeakPolarHBondContact O-CB 3.12Å; N42-N61 PolarHBondContact O-ND2 2.89Å |
| 43 | V | 89.6 | Confident | 86.4 | Confident | 35 Ų | 35 | 111.2 Ų | 111.2 | 21% | 0.212 | 54% | 0.542 | C | S | . | . | trans | -74.7 | 122.8 | 178.3 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | Y39 M40 V59 C60 L62 | Y39-V43 HydrophobicContact CE1-CG2 4.23Å; Y39-V43 PolarHBondContact O-N 3.09Å; M40-V43 HydrophobicContact CE-CG2 3.83Å; M40-V43 PolarHBondContact O-N 3.12Å; V43-V59 HydrophobicContact CG1-CG1 4.19Å; V43-C60 WeakPolarHBondContact CA-O 3.43Å; V43-L62 HydrophobicContact CG1-CB 4.4Å; V43-L62 HydrophobicContact CG1-CD1 4.38Å; V43-L62 HydrophobicContact CG2-CD1 4.32Å | ||
| 44 | S | 88.9 | Confident | 87.7 | Confident | 58 Ų | 58 | 105.2 Ų | 105.2 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.9 | 177.8 | 67.3 | 0 | 0 | 0 | 0 | 110.8 | N42 C60 | N42-S44 PolarHBondContact O-N 3.06Å; S44-C60 PolarHBondContact N-O 3.4Å; S44-C60 PolarHBondContact O-N 2.87Å; S44-C60 WeakPolarHBondContact OG-CB 3.26Å |
| 45 | V | 93.1 | Very high | 88.9 | Confident | 95 Ų | 95 | 101.3 Ų | 101.3 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 109 | F57 D58 V59 | V45-F57 HydrophobicContact CG1-CB 4.35Å; V45-F57 HydrophobicContact CG1-CD2 3.9Å; V45-F57 HydrophobicContact CG1-CG 4.46Å; V45-D58 CarbonylContact C-O 3.6Å; V45-D58 VanDerWaalsContact CA-O 3.3Å; V45-D58 WeakPolarHBondContact CA-O 3.38Å; V45-V59 HydrophobicContact CG2-CG1 4.24Å; V45-V59 HydrophobicContact CG2-CG2 4.29Å |
| 46 | K | 91.2 | Very high | 89.6 | Confident | 136 Ų | 136 | 102.9 Ų | 102.9 | 59% | 0.591 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.9 | 176.6 | -178.1 | -172.7 | 175.6 | -168.1 | 0 | 109.5 | F57 D58 | K46-F57 CarbonylContact O-C 3.55Å; K46-F57 WeakPolarHBondContact O-CA 3.46Å; K46-D58 HydrophobicContact CB-CB 4.35Å; K46-D58 PolarHBondContact N-O 2.81Å; K46-D58 PolarHBondContact O-N 2.75Å |
| 47 | I | 93.6 | Very high | 90.3 | Very high | 94 Ų | 94 | 103.7 Ų | 103.7 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 127.6 | 174.3 | -58.6 | 172.6 | 0 | 0 | 0 | 108.3 | M50 I55 F57 | I47-M50 HydrophobicContact CG2-CB 4.02Å; I47-I55 HydrophobicContact CD1-CD1 4.45Å; I47-I55 HydrophobicContact CG2-CG1 4.37Å; I47-F57 HydrophobicContact CG1-CB 4.3Å |
| 48 | I | 92.2 | Very high | 90.7 | Very high | 74 Ų | 74 | 101 Ų | 101 | 38% | 0.379 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -53.4 | 177.5 | -62.6 | 162.9 | 0 | 0 | 0 | 108.8 | E56 D58 | I48-E56 HydrophobicContact CB-CB 4.37Å; I48-E56 HydrophobicContact CB-CG 4.26Å; I48-E56 HydrophobicContact CD1-CG 3.98Å; I48-E56 PolarHBondContact N-O 3.37Å; I48-D58 WeakPolarHBondContact CD1-OD1 3.43Å |
| 49 | E | 91.7 | Very high | 91.2 | Very high | 131 Ų | 131 | 97.1 Ų | 97.1 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 144.3 | 178.3 | -74.2 | -173.9 | -173.9 | 0 | 0 | 110.7 | I55 E56 | E49-I55 WeakPolarHBondContact O-CA 3.42Å; E49-E56 PolarHBondContact N-O 2.95Å; E49-E56 PolarHBondContact O-N 2.73Å |
| 50 | M | 92.8 | Very high | 91.6 | Very high | 141 Ų | 141 | 97.9 Ų | 97.9 | 70% | 0.695 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 123.6 | 177.2 | -172.4 | 175.6 | -176.3 | 0 | 0 | 110.4 | I47 I55 | I47-M50 HydrophobicContact CG2-CB 4.02Å; M50-I55 HydrophobicContact CB-CG1 4.39Å; M50-I55 HydrophobicContact CE-CD1 4.48Å; M50-I55 HydrophobicContact CG-CD1 4.33Å; M50-I55 HydrophobicContact CG-CG1 4.24Å; M50-I55 HydrophobicContact SD-CD1 4.27Å |
| 51 | S | 93.4 | Very high | 91.9 | Very high | 57 Ų | 57 | 98.6 Ų | 98.6 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | trans | -120.4 | -175.4 | 171.1 | 85 | 0 | 0 | 0 | 0 | 110.2 | Y53 S54 | S51-Y53 PolarHBondContact O-N 2.9Å; S51-Y53 PolarHBondContact OG-N 2.87Å; S51-Y53 VanDerWaalsContact OG-N 3.16Å; S51-S54 PolarHBondContact N-O 3.03Å; S51-S54 PolarHBondContact OG-N 2.8Å; S51-S54 PolarHBondContact OG-O 3.4Å; S51-S54 PolarHBondContact OG-OG 2.84Å | ||
| 52 | N | 90.6 | Very high | 91.9 | Very high | 156 Ų | 156 | 93.3 Ų | 93.3 | 83% | 0.834 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -70 | -19.7 | 174.7 | -67.4 | -33.4 | 0 | 0 | 0 | 113.6 | ||
| 53 | Y | 92.1 | Very high | 91.9 | Very high | 203 Ų | 203 | 92 Ų | 92 | 80% | 0.796 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -128.9 | -7.2 | -172.5 | -59.1 | -70.2 | 0 | 0 | 0 | 113.9 | S51 | S51-Y53 PolarHBondContact O-N 2.9Å; S51-Y53 PolarHBondContact OG-N 2.87Å; S51-Y53 VanDerWaalsContact OG-N 3.16Å |
| 54 | S | 93.4 | Very high | 91.8 | Very high | 72 Ų | 72 | 94 Ų | 94 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | trans | -140.1 | 143.4 | -179.6 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | S51 | S51-S54 PolarHBondContact N-O 3.03Å; S51-S54 PolarHBondContact OG-N 2.8Å; S51-S54 PolarHBondContact OG-O 3.4Å; S51-S54 PolarHBondContact OG-OG 2.84Å | ||
| 55 | I | 95.7 | Very high | 91.8 | Very high | 88 Ų | 88 | 94.4 Ų | 94.4 | 45% | 0.451 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 132.8 | 169.9 | -169.8 | 174 | 0 | 0 | 0 | 107.8 | I47 E49 M50 F57 | I47-I55 HydrophobicContact CD1-CD1 4.45Å; I47-I55 HydrophobicContact CG2-CG1 4.37Å; E49-I55 WeakPolarHBondContact O-CA 3.42Å; M50-I55 HydrophobicContact CB-CG1 4.39Å; M50-I55 HydrophobicContact CE-CD1 4.48Å; M50-I55 HydrophobicContact CG-CD1 4.33Å; M50-I55 HydrophobicContact CG-CG1 4.24Å; M50-I55 HydrophobicContact SD-CD1 4.27Å; I55-F57 HydrophobicContact CD1-CD1 4.27Å; I55-F57 HydrophobicContact CG1-CD1 4.1Å; I55-F57 HydrophobicContact CG2-CD1 4.17Å; I55-F57 HydrophobicContact CG2-CE1 4.21Å |
| 56 | E | 95.3 | Very high | 91.6 | Very high | 112 Ų | 112 | 94.3 Ų | 94.3 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.2 | 172.1 | -170.7 | 175.1 | 153.5 | 0 | 0 | 107.7 | I48 E49 | I48-E56 HydrophobicContact CB-CB 4.37Å; I48-E56 HydrophobicContact CB-CG 4.26Å; I48-E56 HydrophobicContact CD1-CG 3.98Å; I48-E56 PolarHBondContact N-O 3.37Å; E49-E56 PolarHBondContact N-O 2.95Å; E49-E56 PolarHBondContact O-N 2.73Å |
| 57 | F | 95.4 | Very high | 91.6 | Very high | 82 Ų | 82 | 90.2 Ų | 90.2 | 36% | 0.36 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 140.1 | -177.7 | 63.6 | -85.8 | 0 | 0 | 0 | 111.3 | V45 K46 I47 I55 V59 | V45-F57 HydrophobicContact CG1-CB 4.35Å; V45-F57 HydrophobicContact CG1-CD2 3.9Å; V45-F57 HydrophobicContact CG1-CG 4.46Å; K46-F57 CarbonylContact O-C 3.55Å; K46-F57 WeakPolarHBondContact O-CA 3.46Å; I47-F57 HydrophobicContact CG1-CB 4.3Å; I55-F57 HydrophobicContact CD1-CD1 4.27Å; I55-F57 HydrophobicContact CG1-CD1 4.1Å; I55-F57 HydrophobicContact CG2-CD1 4.17Å; I55-F57 HydrophobicContact CG2-CE1 4.21Å; F57-V59 HydrophobicContact CD2-CG2 3.58Å; F57-V59 HydrophobicContact CE2-CG2 3.47Å; F57-V59 VanDerWaalsContact CE2-CG2 3.47Å |
| 58 | D | 93.8 | Very high | 91.5 | Very high | 73 Ų | 73 | 89.8 Ų | 89.8 | 39% | 0.39 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 137 | 170.3 | -65.4 | -36.8 | 0 | 0 | 0 | 109.8 | V45 K46 I48 | V45-D58 CarbonylContact C-O 3.6Å; V45-D58 VanDerWaalsContact CA-O 3.3Å; V45-D58 WeakPolarHBondContact CA-O 3.38Å; K46-D58 HydrophobicContact CB-CB 4.35Å; K46-D58 PolarHBondContact N-O 2.81Å; K46-D58 PolarHBondContact O-N 2.75Å; I48-D58 WeakPolarHBondContact CD1-OD1 3.43Å |
| 59 | V | 93.2 | Very high | 91.6 | Very high | 54 Ų | 54 | 88.3 Ų | 88.3 | 33% | 0.327 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 108.9 | 167 | -170.7 | 0 | 0 | 0 | 0 | 108.6 | V43 V45 F57 L62 | V43-V59 HydrophobicContact CG1-CG1 4.19Å; V45-V59 HydrophobicContact CG2-CG1 4.24Å; V45-V59 HydrophobicContact CG2-CG2 4.29Å; F57-V59 HydrophobicContact CD2-CG2 3.58Å; F57-V59 HydrophobicContact CE2-CG2 3.47Å; F57-V59 VanDerWaalsContact CE2-CG2 3.47Å; V59-L62 HydrophobicContact CG1-CB 3.52Å; V59-L62 HydrophobicContact CG1-CD2 3.82Å; V59-L62 HydrophobicContact CG1-CG 4.25Å |
| 60 | C | 91.2 | Very high | 91.8 | Very high | 54 Ų | 54 | 85.7 Ų | 85.7 | 37% | 0.365 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 146.2 | 179.5 | -49 | 0 | 0 | 0 | 0 | 110.7 | V43 S44 L62 | V43-C60 WeakPolarHBondContact CA-O 3.43Å; S44-C60 PolarHBondContact N-O 3.4Å; S44-C60 PolarHBondContact O-N 2.87Å; S44-C60 WeakPolarHBondContact OG-CB 3.26Å; C60-L62 PolarHBondContact O-N 3.48Å; C60-L62 VanDerWaalsContact O-N 3.14Å |
| 61 | N | 88.5 | Confident | 91.9 | Very high | 105 Ų | 105 | 86.1 Ų | 86.1 | 56% | 0.561 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 62.2 | 12.5 | 176.9 | -52.2 | -43.1 | 0 | 0 | 0 | 115.9 | Y39 N42 | Y39-N61 WeakPolarHBondContact CE2-O 3.36Å; Y39-N61 PolarHBondContact OH-O 2.81Å; N42-N61 HydrophobicContact CB-CB 4.45Å; N42-N61 WeakPolarHBondContact O-CB 3.12Å; N42-N61 PolarHBondContact O-ND2 2.89Å |
| 62 | L | 88.6 | Confident | 92 | Very high | 46 Ų | 46 | 91 Ų | 91 | 24% | 0.241 | 47% | 0.467 | C | S | . | . | trans | -85.4 | 133.9 | 172.2 | -171.6 | 70.9 | 0 | 0 | 0 | 110.9 | Y39 V43 V59 C60 F66 A67 | Y39-L62 WeakPolarHBondContact OH-CA 3.44Å; V43-L62 HydrophobicContact CG1-CB 4.4Å; V43-L62 HydrophobicContact CG1-CD1 4.38Å; V43-L62 HydrophobicContact CG2-CD1 4.32Å; V59-L62 HydrophobicContact CG1-CB 3.52Å; V59-L62 HydrophobicContact CG1-CD2 3.82Å; V59-L62 HydrophobicContact CG1-CG 4.25Å; C60-L62 PolarHBondContact O-N 3.48Å; C60-L62 VanDerWaalsContact O-N 3.14Å; L62-F66 HydrophobicContact CD1-CB 3.69Å; L62-F66 HydrophobicContact CD1-CD2 3.92Å; L62-F66 HydrophobicContact CD1-CG 4.09Å; L62-F66 HydrophobicContact CD2-CB 3.95Å; L62-F66 HydrophobicContact CG-CB 3.83Å; L62-A67 HydrophobicContact CD2-CB 4.26Å | ||
| 63 | H | 86.4 | Confident | 92.3 | Very high | 66 Ų | 66 | 87 Ų | 87 | 31% | 0.306 | 45% | 0.445 | S | S | . | . | trans | -69.3 | 138.4 | 179.4 | -170.6 | -94.3 | 0 | 0 | 0 | 109.8 | W24 Y39 S65 F66 A67 | W24-H63 AromaticContact CH2-CD2 3.99Å; Y39-H63 PolarHBondContact OH-N 3.38Å; H63-S65 PolarHBondContact ND1-N 3.48Å; H63-S65 PolarHBondContact ND1-OG 2.91Å; H63-S65 PolarHBondContact O-N 2.95Å; H63-F66 HydrophobicContact CB-CD2 3.77Å; H63-F66 HydrophobicContact CB-CE2 4.1Å; H63-F66 PolarHBondContact O-N 2.96Å; H63-A67 PolarHBondContact O-N 3.03Å | ||
| 64 | P | 87.7 | Confident | 92.5 | Very high | 78 Ų | 78 | 82.4 Ų | 82.4 | 51% | 0.506 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -55.6 | -28.2 | -175.4 | -29.2 | 35.9 | 0 | 0 | 0 | 114.7 | F66 A67 N68 | P64-F66 VanDerWaalsContact C-N 3.35Å; P64-F66 PolarHBondContact O-N 2.88Å; P64-A67 PolarHBondContact O-N 3.24Å; P64-N68 WeakPolarHBondContact O-CB 3.44Å; P64-N68 PolarHBondContact O-N 2.97Å |
| 65 | S | 87.5 | Confident | 92.5 | Very high | 65 Ų | 65 | 84.8 Ų | 84.8 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 175 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | H63 A69 | H63-S65 PolarHBondContact ND1-N 3.48Å; H63-S65 PolarHBondContact ND1-OG 2.91Å; H63-S65 PolarHBondContact O-N 2.95Å; S65-A69 WeakPolarHBondContact O-CB 3.45Å; S65-A69 PolarHBondContact O-N 3.5Å |
| 66 | F | 89.8 | Confident | 92.4 | Very high | 94 Ų | 94 | 84.5 Ų | 84.5 | 41% | 0.412 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.2 | -40 | 177.8 | -63.6 | -64.8 | 0 | 0 | 0 | 111.6 | Y39 L62 H63 P64 N68 A69 L70 | Y39-F66 HydrophobicContact CE1-CD2 4.41Å; Y39-F66 AromaticContact CE1-CE2 3.97Å; Y39-F66 HydrophobicContact CE1-CE2 3.97Å; L62-F66 HydrophobicContact CD1-CB 3.69Å; L62-F66 HydrophobicContact CD1-CD2 3.92Å; L62-F66 HydrophobicContact CD1-CG 4.09Å; L62-F66 HydrophobicContact CD2-CB 3.95Å; L62-F66 HydrophobicContact CG-CB 3.83Å; H63-F66 HydrophobicContact CB-CD2 3.77Å; H63-F66 HydrophobicContact CB-CE2 4.1Å; H63-F66 PolarHBondContact O-N 2.96Å; P64-F66 VanDerWaalsContact C-N 3.35Å; P64-F66 PolarHBondContact O-N 2.88Å; F66-N68 VanDerWaalsContact C-N 3.34Å; F66-N68 PolarHBondContact O-N 3.41Å; F66-A69 PolarHBondContact O-N 2.97Å; F66-L70 WeakPolarHBondContact O-CB 3.26Å; F66-L70 PolarHBondContact O-N 2.88Å |
| 67 | A | 90.6 | Very high | 92.2 | Very high | 49 Ų | 49 | 85 Ų | 85 | 41% | 0.405 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L62 H63 P64 L70 R71 | L62-A67 HydrophobicContact CD2-CB 4.26Å; H63-A67 PolarHBondContact O-N 3.03Å; P64-A67 PolarHBondContact O-N 3.24Å; A67-L70 PolarHBondContact O-N 3.12Å; A67-R71 WeakPolarHBondContact O-CB 3.39Å; A67-R71 PolarHBondContact O-N 2.71Å |
| 68 | N | 92.4 | Very high | 92 | Very high | 86 Ų | 86 | 85 Ų | 85 | 46% | 0.46 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 176.2 | -172 | 47.6 | 0 | 0 | 0 | 112.2 | P64 F66 R71 R72 | P64-N68 WeakPolarHBondContact O-CB 3.44Å; P64-N68 PolarHBondContact O-N 2.97Å; F66-N68 VanDerWaalsContact C-N 3.34Å; F66-N68 PolarHBondContact O-N 3.41Å; N68-R71 PolarHBondContact O-N 3.27Å; N68-R72 WeakPolarHBondContact O-CG 3.41Å; N68-R72 PolarHBondContact O-N 3.47Å |
| 69 | A | 94.4 | Very high | 91.9 | Very high | 42 Ų | 42 | 85.8 Ų | 85.8 | 35% | 0.347 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S65 F66 R71 R72 I73 | S65-A69 WeakPolarHBondContact O-CB 3.45Å; S65-A69 PolarHBondContact O-N 3.5Å; F66-A69 PolarHBondContact O-N 2.97Å; A69-R71 VanDerWaalsContact C-N 3.32Å; A69-R71 PolarHBondContact O-N 3.48Å; A69-R72 WeakPolarHBondContact O-CB 3.33Å; A69-R72 PolarHBondContact O-N 2.92Å; A69-R72 VanDerWaalsContact O-N 3.09Å; A69-I73 WeakPolarHBondContact O-CG1 3.44Å; A69-I73 PolarHBondContact O-N 3.18Å |
| 70 | L | 94.4 | Very high | 91.8 | Very high | 77 Ų | 77 | 88.8 Ų | 88.8 | 40% | 0.403 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 176.3 | -179.8 | 61.4 | 0 | 0 | 0 | 111.6 | F66 A67 R72 I73 L74 | F66-L70 WeakPolarHBondContact O-CB 3.26Å; F66-L70 PolarHBondContact O-N 2.88Å; A67-L70 PolarHBondContact O-N 3.12Å; L70-R72 VanDerWaalsContact C-N 3.31Å; L70-R72 PolarHBondContact O-N 2.92Å; L70-I73 PolarHBondContact O-N 2.84Å; L70-L74 HydrophobicContact CD1-CD1 4.4Å; L70-L74 HydrophobicContact CD1-CG 4.28Å; L70-L74 HydrophobicContact CG-CD1 4.1Å; L70-L74 HydrophobicContact CG-CG 4.45Å; L70-L74 WeakPolarHBondContact O-CB 3.48Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.38Å; L70-L74 PolarHBondContact O-N 3.16Å |
| 71 | R | 95.4 | Very high | 91.7 | Very high | 150 Ų | 150 | 87.6 Ų | 87.6 | 57% | 0.566 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -56.9 | -43.2 | 174.5 | 179 | -178.3 | 173.1 | -80 | -4.1 | 112.2 | A67 N68 A69 I75 | A67-R71 WeakPolarHBondContact O-CB 3.39Å; A67-R71 PolarHBondContact O-N 2.71Å; N68-R71 PolarHBondContact O-N 3.27Å; A69-R71 VanDerWaalsContact C-N 3.32Å; A69-R71 PolarHBondContact O-N 3.48Å; R71-I75 HydrophobicContact CG-CD1 4Å; R71-I75 WeakPolarHBondContact O-CD1 3.45Å; R71-I75 VanDerWaalsContact O-CG1 3.31Å; R71-I75 WeakPolarHBondContact O-CG1 3.45Å; R71-I75 PolarHBondContact O-N 3.39Å |
| 72 | R | 95.8 | Very high | 91.9 | Very high | 158 Ų | 158 | 85.3 Ų | 85.3 | 60% | 0.596 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | 178.3 | -72 | 178.6 | 64 | -167.4 | -3.3 | 111.6 | N68 A69 L70 L74 I75 A76 | N68-R72 WeakPolarHBondContact O-CG 3.41Å; N68-R72 PolarHBondContact O-N 3.47Å; A69-R72 WeakPolarHBondContact O-CB 3.33Å; A69-R72 PolarHBondContact O-N 2.92Å; A69-R72 VanDerWaalsContact O-N 3.09Å; L70-R72 VanDerWaalsContact C-N 3.31Å; L70-R72 PolarHBondContact O-N 2.92Å; R72-L74 PolarHBondContact O-N 3.41Å; R72-I75 PolarHBondContact O-N 2.95Å; R72-A76 WeakPolarHBondContact O-CB 3.48Å; R72-A76 PolarHBondContact O-N 3.4Å |
| 73 | I | 97.2 | Very high | 92.1 | Very high | 72 Ų | 72 | 86 Ų | 86 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 178.3 | -67.7 | 165.6 | 0 | 0 | 0 | 110.4 | A69 L70 I75 A76 E77 V78 | A69-I73 WeakPolarHBondContact O-CG1 3.44Å; A69-I73 PolarHBondContact O-N 3.18Å; L70-I73 PolarHBondContact O-N 2.84Å; I73-I75 PolarHBondContact O-N 2.99Å; I73-A76 PolarHBondContact O-N 2.89Å; I73-E77 HydrophobicContact CG2-CB 4.18Å; I73-E77 PolarHBondContact O-N 2.73Å; I73-V78 PolarHBondContact O-N 3.36Å |
| 74 | L | 95.9 | Very high | 92.3 | Very high | 107 Ų | 107 | 90.9 Ų | 90.9 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.4 | -34.8 | 179.1 | -74.8 | 170.7 | 0 | 0 | 0 | 113.4 | L70 R72 | L70-L74 HydrophobicContact CD1-CD1 4.4Å; L70-L74 HydrophobicContact CD1-CG 4.28Å; L70-L74 HydrophobicContact CG-CD1 4.1Å; L70-L74 HydrophobicContact CG-CG 4.45Å; L70-L74 WeakPolarHBondContact O-CB 3.48Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.38Å; L70-L74 PolarHBondContact O-N 3.16Å; R72-L74 PolarHBondContact O-N 3.41Å |
| 75 | I | 93.9 | Very high | 92.4 | Very high | 122 Ų | 122 | 96 Ų | 96 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -87 | -39.2 | -176.4 | -65 | 168 | 0 | 0 | 0 | 111.8 | R71 R72 I73 | R71-I75 HydrophobicContact CG-CD1 4Å; R71-I75 WeakPolarHBondContact O-CD1 3.45Å; R71-I75 VanDerWaalsContact O-CG1 3.31Å; R71-I75 WeakPolarHBondContact O-CG1 3.45Å; R71-I75 PolarHBondContact O-N 3.39Å; R72-I75 PolarHBondContact O-N 2.95Å; I73-I75 PolarHBondContact O-N 2.99Å |
| 76 | A | 93.1 | Very high | 92.5 | Very high | 83 Ų | 83 | 95.3 Ų | 95.3 | 69% | 0.686 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -115.9 | -22 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R72 I73 | R72-A76 WeakPolarHBondContact O-CB 3.48Å; R72-A76 PolarHBondContact O-N 3.4Å; I73-A76 PolarHBondContact O-N 2.89Å |
| 77 | E | 91.4 | Very high | 92.6 | Very high | 122 Ų | 122 | 98.7 Ų | 98.7 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | -15.4 | -167.9 | -62.7 | -179.9 | -141.3 | 0 | 0 | 113.6 | I73 P79 | I73-E77 HydrophobicContact CG2-CB 4.18Å; I73-E77 PolarHBondContact O-N 2.73Å; E77-P79 WeakPolarHBondContact O-CD 3.46Å |
| 78 | V | 91.7 | Very high | 92.4 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -66.7 | 116.2 | 173.6 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | I73 T80 | I73-V78 PolarHBondContact O-N 3.36Å; V78-T80 PolarHBondContact O-N 2.95Å |
| 79 | P | 90.8 | Very high | 92.4 | Very high | 89 Ų | 89 | 103.7 Ų | 103.7 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | trans | -60.4 | 140.9 | -178.7 | -23.2 | 35 | 0 | 0 | 0 | 110.8 | E77 P113 | E77-P79 WeakPolarHBondContact O-CD 3.46Å; P79-P113 HydrophobicContact CB-CB 3.89Å; P79-P113 HydrophobicContact CB-CG 3.88Å; P79-P113 WeakPolarHBondContact O-CG 3.48Å | ||
| 80 | T | 91.1 | Very high | 92.4 | Very high | 116 Ų | 116 | 109.6 Ų | 109.6 | 71% | 0.712 | 55% | 0.554 | S | S | * | * | trans | -146.3 | 167.8 | 175.9 | -168.8 | 0 | 0 | 0 | 0 | 110.1 | V78 | V78-T80 PolarHBondContact O-N 2.95Š| ||
| 81 | V | 90.2 | Very high | 92.4 | Very high | 29 Ų | 29 | 108.1 Ų | 108.1 | 18% | 0.176 | 55% | 0.546 | C | S | . | . | trans | -117.7 | 128.5 | -178.7 | -170.6 | 0 | 0 | 0 | 0 | 109 | L109 V111 P113 L116 | V81-L109 HydrophobicContact CG1-CD1 4.23Å; V81-V111 HydrophobicContact CB-CB 4.18Å; V81-V111 HydrophobicContact CG2-CB 4Å; V81-V111 HydrophobicContact CG2-CG1 3.99Å; V81-P113 HydrophobicContact CG2-CB 3.98Å; V81-L116 HydrophobicContact CB-CD1 4.3Å; V81-L116 HydrophobicContact CG1-CD1 3.85Å; V81-L116 HydrophobicContact CG2-CD1 3.41Å; V81-L116 VanDerWaalsContact CG2-CD1 3.41Å | ||
| 82 | A | 91.6 | Very high | 92.4 | Very high | 58 Ų | 58 | 107 Ų | 107 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | trans | -136.6 | 160.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E84 | A82-E84 PolarHBondContact O-N 2.7Š| ||
| 83 | I | 92.8 | Very high | 92.3 | Very high | 61 Ų | 61 | 102.5 Ų | 102.5 | 31% | 0.313 | 55% | 0.549 | S | S | . | . | trans | -78.6 | 105.9 | 174.9 | -56.1 | 176.3 | 0 | 0 | 0 | 108.3 | V86 G105 L109 | I83-V86 HydrophobicContact CG2-CG2 3.54Å; I83-G105 WeakPolarHBondContact O-CA 3.28Å; I83-L109 HydrophobicContact CG1-CD1 4.08Å | ||
| 84 | E | 91.2 | Very high | 92.3 | Very high | 167 Ų | 167 | 106.1 Ų | 106.1 | 78% | 0.78 | 57% | 0.574 | S | S | * | * | trans | -96.9 | -50.4 | -178.8 | -172.7 | -175.6 | -175.2 | 0 | 0 | 112.8 | A82 | A82-E84 PolarHBondContact O-N 2.7Š| ||
| 85 | K | 89.4 | Confident | 92.3 | Very high | 186 Ų | 186 | 103.8 Ų | 103.8 | 81% | 0.809 | 56% | 0.561 | S | S | * | * | trans | -103.8 | 119.8 | -176.7 | -65 | 179.3 | -176 | 171.5 | 0 | 110.5 | ||||
| 86 | V | 89 | Confident | 92.4 | Very high | 50 Ų | 50 | 100.9 Ų | 100.9 | 30% | 0.303 | 55% | 0.55 | S | S | . | * | trans | -123 | 125.4 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | I83 L88 V101 L104 | I83-V86 HydrophobicContact CG2-CG2 3.54Å; V86-L88 HydrophobicContact CG1-CD2 4.01Å; V86-L88 HydrophobicContact CG1-CG 4.16Å; V86-V101 HydrophobicContact CB-CB 4.47Å; V86-V101 HydrophobicContact CB-CG1 3.84Å; V86-V101 HydrophobicContact CB-CG2 3.87Å; V86-V101 HydrophobicContact CG1-CG2 3.98Å; V86-V101 HydrophobicContact CG2-CG1 3.83Å; V86-V101 HydrophobicContact CG2-CG2 4.47Å; V86-L104 HydrophobicContact CG1-CD1 4.04Å; V86-L104 HydrophobicContact CG2-CD1 4.22Å | ||
| 87 | K | 91.7 | Very high | 92.4 | Very high | 166 Ų | 166 | 100.5 Ų | 100.5 | 72% | 0.722 | 54% | 0.537 | S | S | * | . | trans | -97.1 | 107.9 | 169 | -174.1 | 173.3 | -178.3 | 175.9 | 0 | 108.7 | F89 | K87-F89 HydrophobicContact CD-CE1 4.44Å; K87-F89 HydrophobicContact CD-CZ 4.19Å; K87-F89 HydrophobicContact CG-CZ 4.36Å | ||
| 88 | L | 86.7 | Confident | 92.4 | Very high | 58 Ų | 58 | 101.1 Ų | 101.1 | 30% | 0.304 | 54% | 0.54 | S | S | . | . | trans | -84.6 | 132.7 | 175.5 | -69.7 | 175.3 | 0 | 0 | 0 | 110.3 | V86 D97 L100 V101 | V86-L88 HydrophobicContact CG1-CD2 4.01Å; V86-L88 HydrophobicContact CG1-CG 4.16Å; L88-D97 HydrophobicContact CD1-CB 3.55Å; L88-D97 VanDerWaalsContact CD1-CG 3.43Å; L88-L100 HydrophobicContact CD2-CD2 4.45Å; L88-V101 HydrophobicContact CD1-CG2 3.63Å; L88-V101 HydrophobicContact CD2-CG2 4.46Å; L88-V101 HydrophobicContact CG-CG2 3.97Å | ||
| 89 | F | 92.5 | Very high | 92.6 | Very high | 182 Ų | 182 | 100.4 Ų | 100.4 | 80% | 0.798 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -99.1 | -37 | 177.6 | -65.3 | -85.5 | 0 | 0 | 0 | 112 | K87 | K87-F89 HydrophobicContact CD-CE1 4.44Å; K87-F89 HydrophobicContact CD-CZ 4.19Å; K87-F89 HydrophobicContact CG-CZ 4.36Å |
| 90 | Q | 95 | Very high | 92.8 | Very high | 165 Ų | 165 | 98.4 Ų | 98.4 | 77% | 0.771 | 52% | 0.52 | S | S | * | . | trans | -157.9 | 128.7 | 179.1 | -172 | 174.7 | 11.1 | 0 | 0 | 109.8 | T92 | Q90-T92 HydrophobicContact CG-CG2 4.13Š| ||
| 91 | N | 93.9 | Very high | 92.9 | Very high | 47 Ų | 47 | 94.6 Ų | 94.6 | 25% | 0.251 | 50% | 0.496 | S | S | . | . | trans | -132 | 115.9 | 167.8 | 177.7 | 18.4 | 0 | 0 | 0 | 107.9 | S93 I95 D97 | N91-S93 WeakPolarHBondContact OD1-CB 3.45Å; N91-S93 PolarHBondContact OD1-N 2.8Å; N91-S93 PolarHBondContact OD1-OG 2.63Å; N91-I95 PolarHBondContact ND2-O 3.15Å; N91-D97 WeakPolarHBondContact CB-OD1 3.43Å; N91-D97 PolarHBondContact ND2-OD1 3.36Å | ||
| 92 | T | 94.8 | Very high | 93.1 | Very high | 126 Ų | 126 | 99.2 Ų | 99.2 | 77% | 0.773 | 52% | 0.516 | S | S | * | . | trans | -106.4 | 7.3 | 177.3 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | Q90 | Q90-T92 HydrophobicContact CG-CG2 4.13Š| ||
| 93 | S | 95.2 | Very high | 93.3 | Very high | 64 Ų | 64 | 103.4 Ų | 103.4 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -81.8 | 168.7 | -179.7 | 81 | 0 | 0 | 0 | 0 | 111.9 | N91 I95 | N91-S93 WeakPolarHBondContact OD1-CB 3.45Å; N91-S93 PolarHBondContact OD1-N 2.8Å; N91-S93 PolarHBondContact OD1-OG 2.63Å; S93-I95 PolarHBondContact O-N 2.87Å; S93-I95 PolarHBondContact OG-N 2.96Å; S93-I95 PolarHBondContact OG-O 2.85Å |
| 94 | V | 96.5 | Very high | 93.4 | Very high | 147 Ų | 147 | 103.1 Ų | 103.1 | 89% | 0.891 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -74 | -16.8 | 174.4 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | P96 | V94-P96 WeakPolarHBondContact O-CD 3.43Š|
| 95 | I | 95.2 | Very high | 93.4 | Very high | 58 Ų | 58 | 96.3 Ų | 96.3 | 30% | 0.297 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -78.8 | 122.3 | -178 | -61.9 | 174.2 | 0 | 0 | 0 | 108.3 | N91 S93 V99 L100 | N91-I95 PolarHBondContact ND2-O 3.15Å; S93-I95 PolarHBondContact O-N 2.87Å; S93-I95 PolarHBondContact OG-N 2.96Å; S93-I95 PolarHBondContact OG-O 2.85Å; I95-V99 HydrophobicContact CG2-CB 3.81Å; I95-V99 HydrophobicContact CG2-CG1 3.8Å; I95-L100 HydrophobicContact CG2-CB 4.14Å |
| 96 | P | 95.7 | Very high | 93.7 | Very high | 61 Ų | 61 | 93.2 Ų | 93.2 | 40% | 0.396 | 48% | 0.484 | S | S | . | . | trans | -59.1 | 148.6 | 175.4 | -24.1 | 35 | 0 | 0 | 0 | 112.5 | V94 E98 V99 L100 | V94-P96 WeakPolarHBondContact O-CD 3.43Å; P96-E98 VanDerWaalsContact C-N 3.28Å; P96-E98 WeakPolarHBondContact CB-OE1 3.42Å; P96-E98 VanDerWaalsContact CB-OE2 3.25Å; P96-E98 WeakPolarHBondContact CB-OE2 3.33Å; P96-E98 PolarHBondContact O-N 2.94Å; P96-V99 HydrophobicContact CB-CG2 4.28Å; P96-V99 HydrophobicContact CG-CG2 4.37Å; P96-V99 PolarHBondContact O-N 3.22Å; P96-L100 PolarHBondContact O-N 3.17Å | ||
| 97 | D | 94.1 | Very high | 94 | Very high | 76 Ų | 76 | 94.7 Ų | 94.7 | 41% | 0.406 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -54.8 | -42.2 | -176.1 | -78.2 | 1.9 | 0 | 0 | 0 | 112.4 | L88 N91 V99 L100 V101 | L88-D97 HydrophobicContact CD1-CB 3.55Å; L88-D97 VanDerWaalsContact CD1-CG 3.43Å; N91-D97 WeakPolarHBondContact CB-OD1 3.43Å; N91-D97 PolarHBondContact ND2-OD1 3.36Å; D97-V99 VanDerWaalsContact C-N 3.32Å; D97-V99 PolarHBondContact O-N 3.22Å; D97-L100 PolarHBondContact O-N 3.11Å; D97-V101 WeakPolarHBondContact O-CB 3.36Å; D97-V101 VanDerWaalsContact O-CG2 3.27Å; D97-V101 WeakPolarHBondContact O-CG2 3.35Å; D97-V101 PolarHBondContact O-N 3.11Å |
| 98 | E | 92.5 | Very high | 94.1 | Very high | 134 Ų | 134 | 92.5 Ų | 92.5 | 63% | 0.626 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -37.1 | 178.5 | 68.8 | -77.8 | -174.6 | 0 | 0 | 112.5 | P96 H102 | P96-E98 VanDerWaalsContact C-N 3.28Å; P96-E98 WeakPolarHBondContact CB-OE1 3.42Å; P96-E98 VanDerWaalsContact CB-OE2 3.25Å; P96-E98 WeakPolarHBondContact CB-OE2 3.33Å; P96-E98 PolarHBondContact O-N 2.94Å; E98-H102 VanDerWaalsContact O-CB 3.23Å; E98-H102 WeakPolarHBondContact O-CB 3.5Å; E98-H102 PolarHBondContact O-N 2.94Å |
| 99 | V | 94.9 | Very high | 94.4 | Very high | 68 Ų | 68 | 92.9 Ų | 92.9 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.5 | -41.4 | 177.1 | 179.6 | 0 | 0 | 0 | 0 | 110 | I95 P96 D97 R103 | I95-V99 HydrophobicContact CG2-CB 3.81Å; I95-V99 HydrophobicContact CG2-CG1 3.8Å; P96-V99 HydrophobicContact CB-CG2 4.28Å; P96-V99 HydrophobicContact CG-CG2 4.37Å; P96-V99 PolarHBondContact O-N 3.22Å; D97-V99 VanDerWaalsContact C-N 3.32Å; D97-V99 PolarHBondContact O-N 3.22Å; V99-R103 VanDerWaalsContact O-CG 3.3Å; V99-R103 WeakPolarHBondContact O-CG 3.47Å; V99-R103 PolarHBondContact O-N 3.11Å; V99-R103 VanDerWaalsContact O-N 3.09Å |
| 100 | L | 94.3 | Very high | 94.4 | Very high | 48 Ų | 48 | 95.4 Ų | 95.4 | 25% | 0.251 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 177.4 | -179.5 | 61.8 | 0 | 0 | 0 | 111.4 | L88 I95 P96 D97 R103 L104 | L88-L100 HydrophobicContact CD2-CD2 4.45Å; I95-L100 HydrophobicContact CG2-CB 4.14Å; P96-L100 PolarHBondContact O-N 3.17Å; D97-L100 PolarHBondContact O-N 3.11Å; L100-R103 WeakPolarHBondContact O-CB 3.08Å; L100-R103 PolarHBondContact O-N 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.1Å; L100-L104 PolarHBondContact O-N 3.48Å |
| 101 | V | 94.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 91 Ų | 91 | 21% | 0.212 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 178.7 | 171 | 0 | 0 | 0 | 0 | 111.3 | V86 L88 D97 R103 L104 G105 | V86-V101 HydrophobicContact CB-CB 4.47Å; V86-V101 HydrophobicContact CB-CG1 3.84Å; V86-V101 HydrophobicContact CB-CG2 3.87Å; V86-V101 HydrophobicContact CG1-CG2 3.98Å; V86-V101 HydrophobicContact CG2-CG1 3.83Å; V86-V101 HydrophobicContact CG2-CG2 4.47Å; L88-V101 HydrophobicContact CD1-CG2 3.63Å; L88-V101 HydrophobicContact CD2-CG2 4.46Å; L88-V101 HydrophobicContact CG-CG2 3.97Å; D97-V101 WeakPolarHBondContact O-CB 3.36Å; D97-V101 VanDerWaalsContact O-CG2 3.27Å; D97-V101 WeakPolarHBondContact O-CG2 3.35Å; D97-V101 PolarHBondContact O-N 3.11Å; V101-R103 VanDerWaalsContact C-N 3.27Å; V101-R103 PolarHBondContact O-N 3.32Å; V101-L104 WeakPolarHBondContact O-CB 3.42Å; V101-L104 PolarHBondContact O-N 3.32Å; V101-G105 PolarHBondContact O-N 3.5Å |
| 102 | H | 94.3 | Very high | 93.9 | Very high | 126 Ų | 126 | 92.6 Ų | 92.6 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.4 | -42 | 174.6 | -179.3 | -85.5 | 0 | 0 | 0 | 111.6 | E98 L104 G105 L106 | E98-H102 VanDerWaalsContact O-CB 3.23Å; E98-H102 WeakPolarHBondContact O-CB 3.5Å; E98-H102 PolarHBondContact O-N 2.94Å; H102-L104 VanDerWaalsContact C-N 3.34Å; H102-L104 PolarHBondContact O-N 3.04Å; H102-G105 PolarHBondContact O-N 3.38Å; H102-L106 WeakPolarHBondContact O-CG 3.4Å; H102-L106 PolarHBondContact O-N 3.09Å |
| 103 | R | 95.8 | Very high | 93.4 | Very high | 146 Ų | 146 | 88.1 Ų | 88.1 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64 | -36.6 | 175.2 | -71.4 | 176.4 | 68.6 | 178.9 | 2.2 | 112.9 | V99 L100 V101 G105 L106 | V99-R103 VanDerWaalsContact O-CG 3.3Å; V99-R103 WeakPolarHBondContact O-CG 3.47Å; V99-R103 PolarHBondContact O-N 3.11Å; V99-R103 VanDerWaalsContact O-N 3.09Å; L100-R103 WeakPolarHBondContact O-CB 3.08Å; L100-R103 PolarHBondContact O-N 3.3Å; V101-R103 VanDerWaalsContact C-N 3.27Å; V101-R103 PolarHBondContact O-N 3.32Å; R103-G105 VanDerWaalsContact C-N 3.3Å; R103-L106 PolarHBondContact O-N 3.05Å |
| 104 | L | 93.6 | Very high | 92.7 | Very high | 56 Ų | 56 | 93.6 Ų | 93.6 | 29% | 0.293 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 173.3 | -66.4 | 174 | 0 | 0 | 0 | 111.4 | V86 L100 V101 H102 L106 I107 | V86-L104 HydrophobicContact CG1-CD1 4.04Å; V86-L104 HydrophobicContact CG2-CD1 4.22Å; L100-L104 WeakPolarHBondContact O-CG 3.1Å; L100-L104 PolarHBondContact O-N 3.48Å; V101-L104 WeakPolarHBondContact O-CB 3.42Å; V101-L104 PolarHBondContact O-N 3.32Å; H102-L104 VanDerWaalsContact C-N 3.34Å; H102-L104 PolarHBondContact O-N 3.04Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 2.93Å; L104-I107 HydrophobicContact CD2-CD1 4.01Å; L104-I107 WeakPolarHBondContact O-CB 3.03Å; L104-I107 WeakPolarHBondContact O-CG1 3.48Å; L104-I107 PolarHBondContact O-N 3.38Å |
| 105 | G | 92.8 | Very high | 91.9 | Very high | 24 Ų | 24 | 94 Ų | 94 | 25% | 0.247 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.4 | -23.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I83 V101 H102 R103 I107 | I83-G105 WeakPolarHBondContact O-CA 3.28Å; V101-G105 PolarHBondContact O-N 3.5Å; H102-G105 PolarHBondContact O-N 3.38Å; R103-G105 VanDerWaalsContact C-N 3.3Å; G105-I107 VanDerWaalsContact C-N 3.3Å; G105-I107 PolarHBondContact O-N 3.42Å |
| 106 | L | 94.7 | Very high | 90.8 | Very high | 121 Ų | 121 | 95.5 Ų | 95.5 | 63% | 0.634 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -3.1 | 176 | -64.5 | 178.8 | 0 | 0 | 0 | 114.1 | H102 R103 L104 P108 | H102-L106 WeakPolarHBondContact O-CG 3.4Å; H102-L106 PolarHBondContact O-N 3.09Å; R103-L106 PolarHBondContact O-N 3.05Å; L104-L106 VanDerWaalsContact C-N 3.27Å; L104-L106 PolarHBondContact O-N 2.93Å; L106-P108 WeakPolarHBondContact O-CD 3.3Å |
| 107 | I | 96.2 | Very high | 89.2 | Confident | 81 Ų | 81 | 96.1 Ų | 96.1 | 42% | 0.415 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -76.2 | 117.4 | 179.1 | -60.1 | 174.1 | 0 | 0 | 0 | 109.1 | L104 G105 L109 | L104-I107 HydrophobicContact CD2-CD1 4.01Å; L104-I107 WeakPolarHBondContact O-CB 3.03Å; L104-I107 WeakPolarHBondContact O-CG1 3.48Å; L104-I107 PolarHBondContact O-N 3.38Å; G105-I107 VanDerWaalsContact C-N 3.3Å; G105-I107 PolarHBondContact O-N 3.42Å; I107-L109 PolarHBondContact O-N 3.28Å |
| 108 | P | 94 | Very high | 87.9 | Confident | 120 Ų | 120 | 99.9 Ų | 99.9 | 78% | 0.779 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 128.1 | 178.6 | 28.3 | -33.6 | 0 | 0 | 0 | 111 | L106 | L106-P108 WeakPolarHBondContact O-CD 3.3Š|
| 109 | L | 93 | Very high | 87.1 | Confident | 65 Ų | 65 | 96.7 Ų | 96.7 | 34% | 0.34 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -100.1 | 134 | 179 | -58.3 | 178.5 | 0 | 0 | 0 | 111.4 | V81 I83 I107 V111 | V81-L109 HydrophobicContact CG1-CD1 4.23Å; I83-L109 HydrophobicContact CG1-CD1 4.08Å; I107-L109 PolarHBondContact O-N 3.28Å; L109-V111 VanDerWaalsContact C-N 3.3Å; L109-V111 HydrophobicContact CB-CG2 4.2Å; L109-V111 PolarHBondContact O-N 2.97Å |
| 110 | R | 92.7 | Very high | 86.5 | Confident | 235 Ų | 235 | 100.2 Ų | 100.2 | 89% | 0.887 | 50% | 0.499 | S | S | * | . | trans | -83.5 | 71.6 | 175 | -169.3 | -177.1 | -71.7 | 170.3 | -2.6 | 110.8 | ||||
| 111 | V | 89 | Confident | 86.3 | Confident | 72 Ų | 72 | 100.2 Ų | 100.2 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | trans | -127.4 | 140.3 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | V81 L109 P113 L116 | V81-V111 HydrophobicContact CB-CB 4.18Å; V81-V111 HydrophobicContact CG2-CB 4Å; V81-V111 HydrophobicContact CG2-CG1 3.99Å; L109-V111 VanDerWaalsContact C-N 3.3Å; L109-V111 HydrophobicContact CB-CG2 4.2Å; L109-V111 PolarHBondContact O-N 2.97Å; V111-P113 VanDerWaalsContact O-CD 3.28Å; V111-P113 WeakPolarHBondContact O-CD 3.48Å; V111-L116 HydrophobicContact CG1-CD1 4.36Å | ||
| 112 | N | 87.6 | Confident | 86.2 | Confident | 81 Ų | 81 | 100.2 Ų | 100.2 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | trans | -80.9 | 111.8 | 172.4 | -178 | -11.6 | 0 | 0 | 0 | 109.3 | K114 K115 | N112-K114 VanDerWaalsContact C-N 3.25Å; N112-K114 PolarHBondContact O-N 3.34Å; N112-K114 WeakPolarHBondContact OD1-CB 3.39Å; N112-K114 PolarHBondContact OD1-N 3.5Å; N112-K115 HydrophobicContact CB-CD 4.24Å; N112-K115 HydrophobicContact CB-CG 4.19Å; N112-K115 WeakPolarHBondContact O-CB 3.43Å; N112-K115 PolarHBondContact O-N 3.16Å; N112-K115 VanDerWaalsContact O-N 3.15Å | ||
| 113 | P | 85.3 | Confident | 86.3 | Confident | 33 Ų | 33 | 97.2 Ų | 97.2 | 21% | 0.214 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -65.2 | -27.8 | -177.6 | 29.1 | -38.1 | 0 | 0 | 0 | 112.7 | P79 V81 V111 K115 L116 | P79-P113 HydrophobicContact CB-CB 3.89Å; P79-P113 HydrophobicContact CB-CG 3.88Å; P79-P113 WeakPolarHBondContact O-CG 3.48Å; V81-P113 HydrophobicContact CG2-CB 3.98Å; V111-P113 VanDerWaalsContact O-CD 3.28Å; V111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-K115 PolarHBondContact O-N 3.45Å; P113-K115 VanDerWaalsContact O-N 3.08Å; P113-L116 WeakPolarHBondContact O-CB 3.31Å; P113-L116 PolarHBondContact O-N 3.41Å |
| 114 | K | 80.6 | Confident | 86.3 | Confident | 179 Ų | 179 | 90.5 Ų | 90.5 | 78% | 0.778 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -63.8 | -16.5 | 177.5 | -61.3 | -172.5 | 177.2 | -176.3 | 0 | 112.9 | N112 | N112-K114 VanDerWaalsContact C-N 3.25Å; N112-K114 PolarHBondContact O-N 3.34Å; N112-K114 WeakPolarHBondContact OD1-CB 3.39Å; N112-K114 PolarHBondContact OD1-N 3.5Å |
| 115 | K | 79.7 | Confident | 86.4 | Confident | 155 Ų | 155 | 93.9 Ų | 93.9 | 67% | 0.674 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -86.4 | -6.4 | 174.8 | -63.9 | -174.3 | 175.9 | -175.3 | 0 | 113.5 | N112 P113 | N112-K115 HydrophobicContact CB-CD 4.24Å; N112-K115 HydrophobicContact CB-CG 4.19Å; N112-K115 WeakPolarHBondContact O-CB 3.43Å; N112-K115 PolarHBondContact O-N 3.16Å; N112-K115 VanDerWaalsContact O-N 3.15Å; P113-K115 PolarHBondContact O-N 3.45Å; P113-K115 VanDerWaalsContact O-N 3.08Å |
| 116 | L | 71.5 | Confident | 86.5 | Confident | 90 Ų | 90 | 97 Ų | 97 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -102 | -7.5 | -179.6 | -63.3 | 177.8 | 0 | 0 | 0 | 113.3 | V81 V111 P113 W118 | V81-L116 HydrophobicContact CB-CD1 4.3Å; V81-L116 HydrophobicContact CG1-CD1 3.85Å; V81-L116 HydrophobicContact CG2-CD1 3.41Å; V81-L116 VanDerWaalsContact CG2-CD1 3.41Å; V111-L116 HydrophobicContact CG1-CD1 4.36Å; P113-L116 WeakPolarHBondContact O-CB 3.31Å; P113-L116 PolarHBondContact O-N 3.41Å; L116-W118 PolarHBondContact O-N 3.25Å |
| 117 | A | 63.3 | Low | 86.4 | Confident | 74 Ų | 74 | 95.6 Ų | 95.6 | 61% | 0.612 | 47% | 0.474 | S | S | * | . | trans | -76 | 89.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 118 | W | 65.7 | Low | 86.3 | Confident | 155 Ų | 155 | 97.7 Ų | 97.7 | 59% | 0.587 | 49% | 0.49 | S | S | * | . | trans | -118 | 75.5 | 159 | -59 | -67.8 | 0 | 0 | 0 | 107.4 | L116 L158 | L116-W118 PolarHBondContact O-N 3.25Å; W118-L158 HydrophobicContact CE3-CD2 4.49Å | ||
| 119 | T | 75.4 | Confident | 86.2 | Confident | 67 Ų | 67 | 95.7 Ų | 95.7 | 41% | 0.411 | 47% | 0.467 | S | S | . | . | trans | -108.6 | 124.7 | 160.9 | 53.1 | 0 | 0 | 0 | 0 | 108.8 | L156 T157 | T119-L156 VanDerWaalsContact CA-O 3.23Å; T119-L156 WeakPolarHBondContact CA-O 2.99Å; T119-T157 HydrophobicContact CG2-CG2 4.18Å | ||
| 120 | E | 82.8 | Confident | 86.2 | Confident | 141 Ų | 141 | 97.9 Ų | 97.9 | 66% | 0.659 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.3 | 171.8 | -68.6 | -65.7 | 159.2 | 0 | 0 | 107.6 | L156 | E120-L156 PolarHBondContact N-O 2.83Å; E120-L156 PolarHBondContact O-N 3.25Å |
| 121 | P | 90 | Very high | 86.2 | Confident | 49 Ų | 49 | 88.5 Ų | 88.5 | 32% | 0.318 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 129.9 | 179 | 29.2 | -34.8 | 0 | 0 | 0 | 110.9 | Y123 L152 | P121-Y123 HydrophobicContact CB-CD2 4.18Å; P121-Y123 HydrophobicContact CB-CE2 3.51Å; P121-Y123 HydrophobicContact CG-CD2 4.4Å; P121-Y123 HydrophobicContact CG-CE2 3.54Å; P121-L152 HydrophobicContact CB-CD1 3.63Å |
| 122 | V | 93 | Very high | 86.3 | Confident | 35 Ų | 35 | 90 Ų | 90 | 21% | 0.212 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.9 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | D126 I153 D154 L156 | V122-D126 HydrophobicContact CG1-CB 4.27Å; V122-I153 PolarHBondContact O-N 3.49Å; V122-D154 HydrophobicContact CB-CB 4.5Å; V122-D154 PolarHBondContact N-O 2.85Å; V122-D154 PolarHBondContact O-N 3.36Å; V122-L156 HydrophobicContact CG2-CD1 3.63Å; V122-L156 HydrophobicContact CG2-CD2 4.47Å; V122-L156 HydrophobicContact CG2-CG 3.75Å |
| 123 | Y | 96.1 | Very high | 86.5 | Confident | 62 Ų | 62 | 94.3 Ų | 94.3 | 24% | 0.243 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 164.7 | -178.2 | -69.5 | -82.6 | 0 | 0 | 0 | 111.5 | P121 R125 D126 D150 I151 L152 | P121-Y123 HydrophobicContact CB-CD2 4.18Å; P121-Y123 HydrophobicContact CB-CE2 3.51Å; P121-Y123 HydrophobicContact CG-CD2 4.4Å; P121-Y123 HydrophobicContact CG-CE2 3.54Å; Y123-R125 VanDerWaalsContact CD2-CZ 3.45Å; Y123-R125 PolarHBondContact O-N 2.89Å; Y123-R125 VanDerWaalsContact O-N 3.11Å; Y123-D126 PolarHBondContact N-OD2 3.2Å; Y123-D126 WeakPolarHBondContact O-CB 3.49Å; Y123-D126 PolarHBondContact O-N 2.78Å; Y123-D150 WeakPolarHBondContact CD1-O 3.49Å; Y123-I151 CarbonylContact C-O 3.54Å; Y123-I151 VanDerWaalsContact CA-O 3.31Å; Y123-I151 WeakPolarHBondContact CA-O 3.27Å; Y123-L152 HydrophobicContact CD1-CB 4.27Å; Y123-L152 HydrophobicContact CD1-CD1 4.4Å; Y123-L152 HydrophobicContact CE1-CB 4.08Å; Y123-L152 HydrophobicContact CE1-CD1 4.06Å |
| 124 | S | 96.1 | Very high | 86.8 | Confident | 6 Ų | 6 | 94.8 Ų | 94.8 | 4% | 0.042 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -52.9 | -32.4 | 173.8 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | D126 L127 P146 Y148 P149 D150 I151 | S124-D126 PolarHBondContact O-N 2.8Å; S124-L127 VanDerWaalsContact O-CB 3.31Å; S124-L127 WeakPolarHBondContact O-CB 3.29Å; S124-L127 PolarHBondContact O-N 3.22Å; S124-L127 VanDerWaalsContact O-N 3.13Å; S124-P146 WeakPolarHBondContact O-CG 3.45Å; S124-Y148 WeakPolarHBondContact CB-O 3.13Å; S124-Y148 PolarHBondContact OG-O 3.38Å; S124-P149 WeakPolarHBondContact OG-CA 3.34Å; S124-P149 PolarHBondContact OG-O 3.36Å; S124-D150 PolarHBondContact OG-N 3.46Å; S124-I151 PolarHBondContact N-O 3.01Å; S124-I151 PolarHBondContact OG-N 3.11Å |
| 125 | R | 95.6 | Very high | 87.4 | Confident | 127 Ų | 127 | 88.9 Ų | 88.9 | 48% | 0.479 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -60.2 | -22.2 | 174.9 | 61 | -179.3 | 164.7 | -99.7 | 7.9 | 114.8 | Y123 L127 P149 | Y123-R125 VanDerWaalsContact CD2-CZ 3.45Å; Y123-R125 PolarHBondContact O-N 2.89Å; Y123-R125 VanDerWaalsContact O-N 3.11Å; R125-L127 PolarHBondContact O-N 2.87Å; R125-P149 HydrophobicContact CB-CB 3.91Å; R125-P149 VanDerWaalsContact CB-O 3.25Å; R125-P149 WeakPolarHBondContact CB-O 2.91Å; R125-P149 VanDerWaalsContact CG-O 3.23Å; R125-P149 WeakPolarHBondContact CG-O 3.32Å; R125-P149 PolarHBondContact N-O 3.29Å; R125-P149 PolarHBondContact NH1-O 3.24Å |
| 126 | D | 93.7 | Very high | 87.9 | Confident | 88 Ų | 88 | 86 Ų | 86 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -78.8 | -9.5 | -179.3 | -54.5 | -41.5 | 0 | 0 | 0 | 111.4 | V122 Y123 S124 T128 | V122-D126 HydrophobicContact CG1-CB 4.27Å; Y123-D126 PolarHBondContact N-OD2 3.2Å; Y123-D126 WeakPolarHBondContact O-CB 3.49Å; Y123-D126 PolarHBondContact O-N 2.78Å; S124-D126 PolarHBondContact O-N 2.8Å; D126-T128 PolarHBondContact O-N 3.44Å |
| 127 | L | 93.8 | Very high | 88.9 | Confident | 93 Ų | 93 | 86.9 Ų | 86.9 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | trans | -72.2 | 109 | 169.5 | -63 | 172.4 | 0 | 0 | 0 | 110.7 | S124 R125 P146 I153 | S124-L127 VanDerWaalsContact O-CB 3.31Å; S124-L127 WeakPolarHBondContact O-CB 3.29Å; S124-L127 PolarHBondContact O-N 3.22Å; S124-L127 VanDerWaalsContact O-N 3.13Å; R125-L127 PolarHBondContact O-N 2.87Å; L127-P146 HydrophobicContact CD1-CG 4.49Å; L127-I153 HydrophobicContact CD1-CD1 4.06Å; L127-I153 HydrophobicContact CG-CD1 4.17Å | ||
| 128 | T | 92.5 | Very high | 90.2 | Very high | 124 Ų | 124 | 89.4 Ų | 89.4 | 76% | 0.761 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -90.4 | 127.9 | 175.9 | 57 | 0 | 0 | 0 | 0 | 111.6 | D126 V130 | D126-T128 PolarHBondContact O-N 3.44Å; T128-V130 PolarHBondContact O-N 2.95Å |
| 129 | W | 93.8 | Very high | 91.5 | Very high | 79 Ų | 79 | 85.9 Ų | 85.9 | 30% | 0.299 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -78 | 117.6 | 174.4 | 178.6 | 58.3 | 0 | 0 | 0 | 111 | P131 Q135 F139 A143 P144 | W129-P131 HydrophobicContact CH2-CB 3.72Å; W129-P131 HydrophobicContact CZ2-CB 3.71Å; W129-P131 HydrophobicContact CZ3-CB 4.21Å; W129-Q135 HydrophobicContact CZ2-CB 4.16Å; W129-F139 HydrophobicContact CH2-CB 3.78Å; W129-F139 HydrophobicContact CH2-CD2 4.25Å; W129-F139 HydrophobicContact CH2-CG 4.4Å; W129-F139 HydrophobicContact CZ2-CB 4.31Å; W129-F139 AromaticContact CZ2-CD2 3.98Å; W129-F139 HydrophobicContact CZ2-CD2 3.98Å; W129-F139 HydrophobicContact CZ2-CG 4.45Å; W129-A143 HydrophobicContact CE3-CB 3.54Å; W129-A143 HydrophobicContact CZ3-CB 3.63Å; W129-P144 HydrophobicContact CD2-CB 4.4Å; W129-P144 HydrophobicContact CD2-CG 4.19Å; W129-P144 HydrophobicContact CG-CB 4.25Å; W129-P144 HydrophobicContact CZ2-CG 4.01Å |
| 130 | V | 92.1 | Very high | 91.9 | Very high | 111 Ų | 111 | 90.1 Ų | 90.1 | 67% | 0.673 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -102.1 | 116.9 | 169.2 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | T128 | T128-V130 PolarHBondContact O-N 2.95Š|
| 131 | P | 93.1 | Very high | 92.2 | Very high | 38 Ų | 38 | 93.6 Ų | 93.6 | 25% | 0.247 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -73 | 136.3 | -179.5 | 28.4 | -33.7 | 0 | 0 | 0 | 111.4 | W129 Q135 N136 | W129-P131 HydrophobicContact CH2-CB 3.72Å; W129-P131 HydrophobicContact CZ2-CB 3.71Å; W129-P131 HydrophobicContact CZ3-CB 4.21Å; P131-Q135 HydrophobicContact CB-CB 4.23Å; P131-N136 VanDerWaalsContact CG-ND2 3.31Å; P131-N136 WeakPolarHBondContact CG-ND2 3.47Å; P131-N136 VanDerWaalsContact CG-OD1 3.25Å; P131-N136 WeakPolarHBondContact CG-OD1 3.27Å |
| 132 | L | 91.7 | Very high | 92.1 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 168 | 164.5 | -58.7 | 175.7 | 0 | 0 | 0 | 110.9 | G134 Q135 | L132-G134 PolarHBondContact O-N 3.18Å; L132-Q135 HydrophobicContact CB-CG 4.12Å; L132-Q135 VanDerWaalsContact O-CB 3.25Å; L132-Q135 WeakPolarHBondContact O-CB 3.42Å; L132-Q135 PolarHBondContact O-N 3.05Å |
| 133 | D | 91.7 | Very high | 92.1 | Very high | 170 Ų | 170 | 98.4 Ų | 98.4 | 91% | 0.909 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 131.2 | 179.7 | -68.2 | -21.3 | 0 | 0 | 0 | 112.3 | Q135 | D133-Q135 PolarHBondContact O-N 3.18Å; D133-Q135 VanDerWaalsContact O-N 3.12Å |
| 134 | G | 90.8 | Very high | 92 | Very high | 43 Ų | 43 | 97.9 Ų | 97.9 | 44% | 0.443 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -15.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L132 N136 D137 I138 | L132-G134 PolarHBondContact O-N 3.18Å; G134-N136 VanDerWaalsContact C-N 3.32Å; G134-N136 PolarHBondContact O-N 3.32Å; G134-D137 PolarHBondContact O-N 3.43Å; G134-I138 PolarHBondContact O-N 3.19Å |
| 135 | Q | 93.1 | Very high | 91.9 | Very high | 56 Ų | 56 | 105.6 Ų | 105.6 | 26% | 0.262 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.4 | -31.7 | 179.9 | -65.5 | -172 | -18.8 | 0 | 0 | 112.7 | W129 P131 L132 D133 D137 I138 F139 | W129-Q135 HydrophobicContact CZ2-CB 4.16Å; P131-Q135 HydrophobicContact CB-CB 4.23Å; L132-Q135 HydrophobicContact CB-CG 4.12Å; L132-Q135 VanDerWaalsContact O-CB 3.25Å; L132-Q135 WeakPolarHBondContact O-CB 3.42Å; L132-Q135 PolarHBondContact O-N 3.05Å; D133-Q135 PolarHBondContact O-N 3.18Å; D133-Q135 VanDerWaalsContact O-N 3.12Å; Q135-D137 PolarHBondContact O-N 3.23Å; Q135-I138 PolarHBondContact O-N 2.92Å; Q135-F139 HydrophobicContact CB-CD2 4.1Å; Q135-F139 HydrophobicContact CB-CE2 4.38Å; Q135-F139 WeakPolarHBondContact O-CD2 3.49Å; Q135-F139 PolarHBondContact O-N 2.95Å |
| 136 | N | 90.2 | Very high | 91.8 | Very high | 94 Ų | 94 | 101.6 Ų | 101.6 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -53.7 | -40.4 | 173.1 | -89.7 | -39.1 | 0 | 0 | 0 | 111.3 | P131 G134 K140 | P131-N136 VanDerWaalsContact CG-ND2 3.31Å; P131-N136 WeakPolarHBondContact CG-ND2 3.47Å; P131-N136 VanDerWaalsContact CG-OD1 3.25Å; P131-N136 WeakPolarHBondContact CG-OD1 3.27Å; G134-N136 VanDerWaalsContact C-N 3.32Å; G134-N136 PolarHBondContact O-N 3.32Å; N136-K140 WeakPolarHBondContact O-CG 3.34Å; N136-K140 PolarHBondContact O-N 3.26Å; N136-K140 VanDerWaalsContact O-N 3.14Å |
| 137 | D | 91.7 | Very high | 91.8 | Very high | 108 Ų | 108 | 100 Ų | 100 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.4 | -37.9 | 179.9 | -69.4 | -50 | 0 | 0 | 0 | 113.4 | G134 Q135 K140 | G134-D137 PolarHBondContact O-N 3.43Å; Q135-D137 PolarHBondContact O-N 3.23Å; D137-K140 VanDerWaalsContact CA-CE 3.47Å; D137-K140 WeakPolarHBondContact OD1-CE 3.4Å; D137-K140 IonicContact OD1-NZ 2.71Å; D137-K140 PolarHBondContact OD1-NZ 3.39Å |
| 138 | I | 92 | Very high | 91.9 | Very high | 127 Ų | 127 | 101.1 Ų | 101.1 | 65% | 0.651 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.3 | -40.3 | -179.8 | -61.5 | 169.1 | 0 | 0 | 0 | 111.1 | G134 Q135 | G134-I138 PolarHBondContact O-N 3.19Å; Q135-I138 PolarHBondContact O-N 2.92Å |
| 139 | F | 91.8 | Very high | 92.1 | Very high | 81 Ų | 81 | 98.7 Ų | 98.7 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -106.7 | 12.8 | -170.9 | -60 | -71.1 | 0 | 0 | 0 | 114.9 | W129 Q135 K141 K142 A143 P144 | W129-F139 HydrophobicContact CH2-CB 3.78Å; W129-F139 HydrophobicContact CH2-CD2 4.25Å; W129-F139 HydrophobicContact CH2-CG 4.4Å; W129-F139 HydrophobicContact CZ2-CB 4.31Å; W129-F139 AromaticContact CZ2-CD2 3.98Å; W129-F139 HydrophobicContact CZ2-CD2 3.98Å; W129-F139 HydrophobicContact CZ2-CG 4.45Å; Q135-F139 HydrophobicContact CB-CD2 4.1Å; Q135-F139 HydrophobicContact CB-CE2 4.38Å; Q135-F139 WeakPolarHBondContact O-CD2 3.49Å; Q135-F139 PolarHBondContact O-N 2.95Å; F139-K141 PolarHBondContact O-N 3.39Å; F139-K142 CarbonylContact O-C 3.2Å; F139-K142 PolarHBondContact O-N 3.31Å; F139-A143 PolarHBondContact O-N 3.11Å; F139-P144 HydrophobicContact CD1-CG 4.32Å; F139-P144 HydrophobicContact CD2-CG 4.45Å; F139-P144 HydrophobicContact CG-CG 4.27Å |
| 140 | K | 84.4 | Confident | 92.1 | Very high | 156 Ų | 156 | 99.9 Ų | 99.9 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.7 | -44.9 | -177.9 | -67.7 | -167.5 | -167.6 | -168.2 | 0 | 114.6 | N136 D137 | N136-K140 WeakPolarHBondContact O-CG 3.34Å; N136-K140 PolarHBondContact O-N 3.26Å; N136-K140 VanDerWaalsContact O-N 3.14Å; D137-K140 VanDerWaalsContact CA-CE 3.47Å; D137-K140 WeakPolarHBondContact OD1-CE 3.4Å; D137-K140 IonicContact OD1-NZ 2.71Å; D137-K140 PolarHBondContact OD1-NZ 3.39Å |
| 141 | K | 88.4 | Confident | 92.3 | Very high | 214 Ų | 214 | 99 Ų | 99 | 93% | 0.93 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -29.1 | -174.4 | -65.7 | -174.8 | -179.7 | 179.8 | 0 | 113.2 | F139 | F139-K141 PolarHBondContact O-N 3.39Š|
| 142 | K | 89.2 | Confident | 92.5 | Very high | 144 Ų | 144 | 101.1 Ų | 101.1 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -151.6 | 89.4 | -175.2 | -167.4 | -179.7 | -178.7 | -175.5 | 0 | 109.7 | F139 | F139-K142 CarbonylContact O-C 3.2Å; F139-K142 PolarHBondContact O-N 3.31Å |
| 143 | A | 92 | Very high | 92.6 | Very high | 42 Ų | 42 | 100.6 Ų | 100.6 | 35% | 0.347 | 52% | 0.517 | S | S | . | . | trans | -55.9 | 137.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | W129 F139 R145 | W129-A143 HydrophobicContact CE3-CB 3.54Å; W129-A143 HydrophobicContact CZ3-CB 3.63Å; F139-A143 PolarHBondContact O-N 3.11Å; A143-R145 PolarHBondContact O-NH1 3.12Å | ||
| 144 | P | 93.6 | Very high | 92.6 | Very high | 50 Ų | 50 | 96.2 Ų | 96.2 | 33% | 0.325 | 49% | 0.493 | S | S | . | . | trans | -51.3 | 140 | 165.3 | -26.4 | 34.7 | 0 | 0 | 0 | 111.6 | W129 F139 | W129-P144 HydrophobicContact CD2-CB 4.4Å; W129-P144 HydrophobicContact CD2-CG 4.19Å; W129-P144 HydrophobicContact CG-CB 4.25Å; W129-P144 HydrophobicContact CZ2-CG 4.01Å; F139-P144 HydrophobicContact CD1-CG 4.32Å; F139-P144 HydrophobicContact CD2-CG 4.45Å; F139-P144 HydrophobicContact CG-CG 4.27Å | ||
| 145 | R | 93.7 | Very high | 92.6 | Very high | 169 Ų | 169 | 99.1 Ų | 99.1 | 64% | 0.638 | 50% | 0.495 | S | S | * | . | trans | -161.7 | 162.5 | 178.4 | 62.3 | 179.1 | -179.9 | -88.4 | 11.7 | 109.3 | A143 | A143-R145 PolarHBondContact O-NH1 3.12Š| ||
| 146 | P | 95 | Very high | 92.3 | Very high | 42 Ų | 42 | 98 Ų | 98 | 27% | 0.273 | 49% | 0.49 | S | S | . | . | trans | -53.3 | 143.6 | 170.4 | -21.3 | 28.7 | 0 | 0 | 0 | 112.2 | S124 L127 Y148 | S124-P146 WeakPolarHBondContact O-CG 3.45Å; L127-P146 HydrophobicContact CD1-CG 4.49Å; P146-Y148 VanDerWaalsContact C-N 3.28Å; P146-Y148 WeakPolarHBondContact CB-O 3.37Å; P146-Y148 PolarHBondContact O-N 3.27Å | ||
| 147 | A | 93.5 | Very high | 91.9 | Very high | 55 Ų | 55 | 97.1 Ų | 97.1 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -64.1 | -36.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 148 | Y | 96 | Very high | 91.4 | Very high | 116 Ų | 116 | 97.3 Ų | 97.3 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | trans | -127.5 | 132.3 | 177 | -55.4 | -72.8 | 0 | 0 | 0 | 109.6 | S124 P146 I151 V268 | S124-Y148 WeakPolarHBondContact CB-O 3.13Å; S124-Y148 PolarHBondContact OG-O 3.38Å; P146-Y148 VanDerWaalsContact C-N 3.28Å; P146-Y148 WeakPolarHBondContact CB-O 3.37Å; P146-Y148 PolarHBondContact O-N 3.27Å; Y148-I151 HydrophobicContact CD2-CD1 4.36Å; Y148-V268 WeakPolarHBondContact CE2-O 2.79Å | ||
| 149 | P | 95.3 | Very high | 90.8 | Very high | 74 Ų | 74 | 98 Ų | 98 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -3.3 | -173.7 | 35.2 | -37.1 | 0 | 0 | 0 | 114.8 | S124 R125 | S124-P149 WeakPolarHBondContact OG-CA 3.34Å; S124-P149 PolarHBondContact OG-O 3.36Å; R125-P149 HydrophobicContact CB-CB 3.91Å; R125-P149 VanDerWaalsContact CB-O 3.25Å; R125-P149 WeakPolarHBondContact CB-O 2.91Å; R125-P149 VanDerWaalsContact CG-O 3.23Å; R125-P149 WeakPolarHBondContact CG-O 3.32Å; R125-P149 PolarHBondContact N-O 3.29Å; R125-P149 PolarHBondContact NH1-O 3.24Å |
| 150 | D | 95.6 | Very high | 90.5 | Very high | 103 Ų | 103 | 98 Ų | 98 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 18.1 | -167.6 | 61.7 | -30 | 0 | 0 | 0 | 113 | Y123 S124 L152 | Y123-D150 WeakPolarHBondContact CD1-O 3.49Å; S124-D150 PolarHBondContact OG-N 3.46Å; D150-L152 PolarHBondContact O-N 3.44Å |
| 151 | I | 96.3 | Very high | 90.7 | Very high | 92 Ų | 92 | 97.5 Ų | 97.5 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | trans | -73.9 | 114.5 | 169.8 | -61.1 | 162.5 | 0 | 0 | 0 | 107.1 | Y123 S124 Y148 I153 | Y123-I151 CarbonylContact C-O 3.54Å; Y123-I151 VanDerWaalsContact CA-O 3.31Å; Y123-I151 WeakPolarHBondContact CA-O 3.27Å; S124-I151 PolarHBondContact N-O 3.01Å; S124-I151 PolarHBondContact OG-N 3.11Å; Y148-I151 HydrophobicContact CD2-CD1 4.36Å; I151-I153 PolarHBondContact O-N 2.89Å | ||
| 152 | L | 96 | Very high | 90.6 | Very high | 83 Ų | 83 | 91.9 Ų | 91.9 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 126.5 | 173 | -176.8 | 67.5 | 0 | 0 | 0 | 109.1 | P121 Y123 D150 D154 E155 | P121-L152 HydrophobicContact CB-CD1 3.63Å; Y123-L152 HydrophobicContact CD1-CB 4.27Å; Y123-L152 HydrophobicContact CD1-CD1 4.4Å; Y123-L152 HydrophobicContact CE1-CB 4.08Å; Y123-L152 HydrophobicContact CE1-CD1 4.06Å; D150-L152 PolarHBondContact O-N 3.44Å; L152-D154 WeakPolarHBondContact CD1-O 3.47Å; L152-E155 HydrophobicContact CD1-CG 4.2Å; L152-E155 HydrophobicContact CD2-CG 4.22Å |
| 153 | I | 94.4 | Very high | 90.8 | Very high | 94 Ų | 94 | 94 Ų | 94 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -48.4 | 176.5 | -63.1 | 178.3 | 0 | 0 | 0 | 109.5 | V122 L127 I151 | V122-I153 PolarHBondContact O-N 3.49Å; L127-I153 HydrophobicContact CD1-CD1 4.06Å; L127-I153 HydrophobicContact CG-CD1 4.17Å; I151-I153 PolarHBondContact O-N 2.89Å |
| 154 | D | 92.1 | Very high | 90.7 | Very high | 78 Ų | 78 | 95.4 Ų | 95.4 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 162.2 | -175.9 | -155.7 | -1.5 | 0 | 0 | 0 | 111.6 | V122 L152 | V122-D154 HydrophobicContact CB-CB 4.5Å; V122-D154 PolarHBondContact N-O 2.85Å; V122-D154 PolarHBondContact O-N 3.36Å; L152-D154 WeakPolarHBondContact CD1-O 3.47Å |
| 155 | E | 90.1 | Very high | 90.7 | Very high | 104 Ų | 104 | 99.5 Ų | 99.5 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 109.5 | 170.2 | -70.5 | -173.6 | -173.4 | 0 | 0 | 109.4 | L152 | L152-E155 HydrophobicContact CD1-CG 4.2Å; L152-E155 HydrophobicContact CD2-CG 4.22Å |
| 156 | L | 86.9 | Confident | 90.7 | Very high | 31 Ų | 31 | 96 Ų | 96 | 16% | 0.162 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 128.9 | -176.2 | -58.4 | -176.8 | 0 | 0 | 0 | 110.8 | T119 E120 V122 D160 V162 | T119-L156 VanDerWaalsContact CA-O 3.23Å; T119-L156 WeakPolarHBondContact CA-O 2.99Å; E120-L156 PolarHBondContact N-O 2.83Å; E120-L156 PolarHBondContact O-N 3.25Å; V122-L156 HydrophobicContact CG2-CD1 3.63Å; V122-L156 HydrophobicContact CG2-CD2 4.47Å; V122-L156 HydrophobicContact CG2-CG 3.75Å; L156-D160 HydrophobicContact CB-CB 4Å; L156-D160 HydrophobicContact CD2-CB 3.97Å; L156-D160 HydrophobicContact CG-CB 4.5Å; L156-V162 HydrophobicContact CD2-CG2 3.77Å |
| 157 | T | 82.9 | Confident | 90.6 | Very high | 77 Ų | 77 | 102.4 Ų | 102.4 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | trans | -86.6 | -179.9 | 169.4 | 74.8 | 0 | 0 | 0 | 0 | 111.3 | T119 N159 D160 | T119-T157 HydrophobicContact CG2-CG2 4.18Å; T157-N159 PolarHBondContact O-N 2.95Å; T157-N159 VanDerWaalsContact O-N 3.07Å; T157-D160 WeakPolarHBondContact CA-OD2 3.44Å; T157-D160 WeakPolarHBondContact CB-OD2 3.21Å; T157-D160 PolarHBondContact N-OD2 3Å; T157-D160 PolarHBondContact O-N 2.85Å; T157-D160 PolarHBondContact OG1-OD2 3.48Å | ||
| 158 | L | 79.1 | Confident | 90.6 | Very high | 111 Ų | 111 | 105.8 Ų | 105.8 | 58% | 0.581 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | 115.8 | -178 | -172.5 | 70.9 | 0 | 0 | 0 | 111.7 | W118 | W118-L158 HydrophobicContact CE3-CD2 4.49Š|
| 159 | N | 79.5 | Confident | 90.5 | Very high | 143 Ų | 143 | 105.1 Ų | 105.1 | 77% | 0.765 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.8 | 5.6 | -177.5 | -42.8 | -62.8 | 0 | 0 | 0 | 116.5 | T157 | T157-N159 PolarHBondContact O-N 2.95Å; T157-N159 VanDerWaalsContact O-N 3.07Å |
| 160 | D | 86.3 | Confident | 90.5 | Very high | 80 Ų | 80 | 111.8 Ų | 111.8 | 43% | 0.428 | 60% | 0.596 | S | S | . | * | trans | -70.8 | 135 | 169.5 | -66.4 | -28.9 | 0 | 0 | 0 | 109.8 | L156 T157 | L156-D160 HydrophobicContact CB-CB 4Å; L156-D160 HydrophobicContact CD2-CB 3.97Å; L156-D160 HydrophobicContact CG-CB 4.5Å; T157-D160 WeakPolarHBondContact CA-OD2 3.44Å; T157-D160 WeakPolarHBondContact CB-OD2 3.21Å; T157-D160 PolarHBondContact N-OD2 3Å; T157-D160 PolarHBondContact O-N 2.85Å; T157-D160 PolarHBondContact OG1-OD2 3.48Å | ||
| 161 | I | 88.8 | Confident | 90.5 | Very high | 146 Ų | 146 | 108.2 Ų | 108.2 | 75% | 0.749 | 58% | 0.583 | S | S | * | * | trans | -133.4 | 130.6 | -179.4 | -60.2 | 173.5 | 0 | 0 | 0 | 108.2 | ||||
| 162 | V | 86.9 | Confident | 90.5 | Very high | 95 Ų | 95 | 107.9 Ų | 107.9 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | trans | -116.8 | 114.2 | 171 | 177.4 | 0 | 0 | 0 | 0 | 108.4 | L156 | L156-V162 HydrophobicContact CD2-CG2 3.77Š| ||
| 163 | E | 92.2 | Very high | 90.5 | Very high | 188 Ų | 188 | 105.7 Ų | 105.7 | 88% | 0.879 | 58% | 0.579 | S | S | * | * | trans | -121 | 123.1 | 171.2 | -175.5 | 176 | -162.5 | 0 | 0 | 107.9 | ||||
| 164 | A | 90.4 | Very high | 90.5 | Very high | 72 Ų | 72 | 111.1 Ų | 111.1 | 60% | 0.595 | 59% | 0.593 | S | S | * | * | trans | -151.9 | 133.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 165 | D | 94 | Very high | 90.7 | Very high | 136 Ų | 136 | 112.2 Ų | 112.2 | 73% | 0.727 | 60% | 0.599 | S | S | * | * | trans | -88.2 | 118.8 | 164.3 | -73.9 | -29.8 | 0 | 0 | 0 | 110.2 | Y167 | D165-Y167 HydrophobicContact CB-CE2 3.83Š| ||
| 166 | C | 92.6 | Very high | 91.1 | Very high | 95 Ų | 95 | 112.2 Ų | 112.2 | 64% | 0.642 | 60% | 0.599 | S | S | * | * | trans | -106.5 | 117.8 | -179.8 | -69.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 167 | Y | 94.2 | Very high | 91.5 | Very high | 177 Ų | 177 | 114.5 Ų | 114.5 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | trans | -98.5 | 118.6 | -179.5 | -61.9 | -88.7 | 0 | 0 | 0 | 111.7 | D165 | D165-Y167 HydrophobicContact CB-CE2 3.83Š| ||
| 168 | C | 92.1 | Very high | 92 | Very high | 127 Ų | 127 | 117.8 Ų | 117.8 | 86% | 0.858 | 63% | 0.63 | S | S | * | * | trans | -86.2 | 124.6 | 175.3 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 169 | V | 95.1 | Very high | 92.8 | Very high | 101 Ų | 101 | 114.8 Ų | 114.8 | 61% | 0.612 | 61% | 0.612 | S | S | * | * | trans | -120.4 | 149.7 | 176.7 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | F179 | V169-F179 HydrophobicContact CG2-CE1 4.06Å; V169-F179 HydrophobicContact CG2-CZ 3.81Å | ||
| 170 | K | 94.3 | Very high | 93.6 | Very high | 215 Ų | 215 | 109.6 Ų | 109.6 | 94% | 0.935 | 59% | 0.587 | S | S | * | * | trans | -75.4 | 128.5 | 171.1 | 179.8 | -179.6 | 174.2 | -177.5 | 0 | 109.1 | ||||
| 171 | G | 96.3 | Very high | 94.1 | Very high | 27 Ų | 27 | 107.7 Ų | 107.7 | 28% | 0.278 | 58% | 0.579 | S | S | . | * | trans | -148.4 | 179.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 172 | I | 96.9 | Very high | 94.5 | Very high | 85 Ų | 85 | 102.2 Ų | 102.2 | 44% | 0.436 | 55% | 0.553 | S | S | . | * | trans | -126.4 | 153.5 | 176.7 | 56.7 | 170 | 0 | 0 | 0 | 111 | R174 D175 F179 | I172-R174 HydrophobicContact CD1-CB 3.89Å; I172-R174 HydrophobicContact CG1-CB 4.13Å; I172-R174 PolarHBondContact O-N 2.82Å; I172-D175 VanDerWaalsContact CG1-OD2 3.3Å; I172-D175 WeakPolarHBondContact CG1-OD2 3.37Å; I172-D175 PolarHBondContact O-N 2.92Å; I172-F179 VanDerWaalsContact C-CB 3.41Å; I172-F179 WeakPolarHBondContact O-CB 3.35Å | ||
| 173 | G | 95 | Very high | 94.8 | Very high | 37 Ų | 37 | 101 Ų | 101 | 38% | 0.381 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.5 | -17.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D175 | G173-D175 VanDerWaalsContact C-N 3.33Š|
| 174 | R | 95.6 | Very high | 94.8 | Very high | 208 Ų | 208 | 93.4 Ų | 93.4 | 79% | 0.785 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -36.5 | 171.6 | -175.1 | -178.9 | 66.8 | 179.7 | -1.1 | 112.3 | I172 | I172-R174 HydrophobicContact CD1-CB 3.89Å; I172-R174 HydrophobicContact CG1-CB 4.13Å; I172-R174 PolarHBondContact O-N 2.82Å |
| 175 | D | 96.5 | Very high | 95 | Very high | 102 Ų | 102 | 93.7 Ų | 93.7 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -37.2 | -174.8 | -53.3 | -27.8 | 0 | 0 | 0 | 110.7 | I172 G173 | I172-D175 VanDerWaalsContact CG1-OD2 3.3Å; I172-D175 WeakPolarHBondContact CG1-OD2 3.37Å; I172-D175 PolarHBondContact O-N 2.92Å; G173-D175 VanDerWaalsContact C-N 3.33Å |
| 176 | H | 96.9 | Very high | 95.1 | Very high | 103 Ų | 103 | 92.1 Ų | 92.1 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | trans | -163.2 | 146.4 | 175 | -166.4 | -91.4 | 0 | 0 | 0 | 111.4 | K178 F179 | H176-K178 HydrophobicContact CB-CD 4.48Å; H176-K178 HydrophobicContact CB-CG 4.11Å; H176-K178 WeakPolarHBondContact ND1-CB 3.38Å; H176-K178 WeakPolarHBondContact ND1-CD 3.28Å; H176-K178 WeakPolarHBondContact ND1-CG 3.35Å; H176-K178 PolarHBondContact ND1-N 3.42Å; H176-K178 VanDerWaalsContact ND1-N 3.1Å; H176-K178 PolarHBondContact O-N 2.66Å; H176-K178 VanDerWaalsContact O-N 3.1Å; H176-F179 HydrophobicContact CB-CD2 3.98Å; H176-F179 HydrophobicContact CB-CE2 4.22Å; H176-F179 PolarHBondContact O-N 3.18Å | ||
| 177 | A | 95 | Very high | 95.2 | Very high | 79 Ų | 79 | 93.9 Ų | 93.9 | 65% | 0.653 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -57.2 | -29 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | F179 S180 | A177-F179 PolarHBondContact O-N 2.99Å; A177-F179 VanDerWaalsContact O-N 3.11Å; A177-S180 WeakPolarHBondContact O-CB 3.18Å; A177-S180 PolarHBondContact O-N 3.3Å |
| 178 | K | 94.3 | Very high | 95.2 | Very high | 146 Ų | 146 | 89 Ų | 89 | 64% | 0.635 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -57.8 | -22.9 | 175.3 | 76.4 | -168.1 | 166.5 | -176.1 | 0 | 114.2 | H176 | H176-K178 HydrophobicContact CB-CD 4.48Å; H176-K178 HydrophobicContact CB-CG 4.11Å; H176-K178 WeakPolarHBondContact ND1-CB 3.38Å; H176-K178 WeakPolarHBondContact ND1-CD 3.28Å; H176-K178 WeakPolarHBondContact ND1-CG 3.35Å; H176-K178 PolarHBondContact ND1-N 3.42Å; H176-K178 VanDerWaalsContact ND1-N 3.1Å; H176-K178 PolarHBondContact O-N 2.66Å; H176-K178 VanDerWaalsContact O-N 3.1Å |
| 179 | F | 96.4 | Very high | 95.3 | Very high | 48 Ų | 48 | 86.2 Ų | 86.2 | 21% | 0.211 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -95.5 | 0.9 | 176.8 | -59.1 | -59.5 | 0 | 0 | 0 | 112.7 | V169 I172 H176 A177 P181 | V169-F179 HydrophobicContact CG2-CE1 4.06Å; V169-F179 HydrophobicContact CG2-CZ 3.81Å; I172-F179 VanDerWaalsContact C-CB 3.41Å; I172-F179 WeakPolarHBondContact O-CB 3.35Å; H176-F179 HydrophobicContact CB-CD2 3.98Å; H176-F179 HydrophobicContact CB-CE2 4.22Å; H176-F179 PolarHBondContact O-N 3.18Å; A177-F179 PolarHBondContact O-N 2.99Å; A177-F179 VanDerWaalsContact O-N 3.11Å; F179-P181 WeakPolarHBondContact O-CD 3.32Å |
| 180 | S | 96.5 | Very high | 95.2 | Very high | 34 Ų | 34 | 83 Ų | 83 | 24% | 0.238 | 43% | 0.432 | C | S | . | . | trans | -68.5 | 123.8 | 176.2 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | A177 V182 Q270 | A177-S180 WeakPolarHBondContact O-CB 3.18Å; A177-S180 PolarHBondContact O-N 3.3Å; S180-V182 PolarHBondContact O-N 3.03Å; S180-V182 PolarHBondContact OG-N 3.48Å; S180-V182 PolarHBondContact OG-O 3.41Å; S180-Q270 PolarHBondContact O-NE2 3.26Å | ||
| 181 | P | 96.6 | Very high | 95.1 | Very high | 40 Ų | 40 | 72.9 Ų | 72.9 | 26% | 0.26 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -78.2 | -7.7 | 175.3 | 33.1 | -34.8 | 0 | 0 | 0 | 113.8 | F179 S267 V268 I276 | F179-P181 WeakPolarHBondContact O-CD 3.32Å; P181-S267 PolarHBondContact O-OG 3.1Å; P181-V268 PolarHBondContact O-N 2.96Å; P181-I276 HydrophobicContact CB-CD1 3.88Å; P181-I276 HydrophobicContact CB-CG1 4.08Å; P181-I276 HydrophobicContact CB-CG2 4.35Å; P181-I276 HydrophobicContact CG-CG2 4.08Å; P181-I276 WeakPolarHBondContact O-CD1 3.37Å |
| 182 | V | 96.9 | Very high | 94.8 | Very high | 31 Ų | 31 | 73.9 Ų | 73.9 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.4 | -173.5 | -64 | 0 | 0 | 0 | 0 | 111.9 | S180 C185 V265 E266 I276 | S180-V182 PolarHBondContact O-N 3.03Å; S180-V182 PolarHBondContact OG-N 3.48Å; S180-V182 PolarHBondContact OG-O 3.41Å; V182-C185 HydrophobicContact CB-CB 4.29Å; V182-C185 HydrophobicContact CG2-CB 3.87Å; V182-V265 HydrophobicContact CG1-CG1 3.74Å; V182-E266 CarbonylContact C-O 3.55Å; V182-E266 WeakPolarHBondContact CA-O 3.43Å; V182-E266 WeakPolarHBondContact CB-O 3.23Å; V182-I276 HydrophobicContact CG1-CD1 4.26Å; V182-I276 HydrophobicContact CG1-CG2 3.97Å |
| 183 | A | 92.6 | Very high | 94.6 | Very high | 69 Ų | 69 | 70.7 Ų | 70.7 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -49.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E266 V268 | A183-E266 HydrophobicContact CB-CG 4.36Å; A183-E266 PolarHBondContact N-O 3.37Å; A183-V268 HydrophobicContact CB-CG1 3.96Å |
| 184 | A | 92.9 | Very high | 94.5 | Very high | 29 Ų | 29 | 73.4 Ų | 73.4 | 24% | 0.24 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | F186 V265 E266 | A184-F186 HydrophobicContact CB-CE1 4.39Å; A184-V265 CarbonylContact O-C 3.49Å; A184-V265 WeakPolarHBondContact O-CA 3.34Å; A184-E266 HydrophobicContact CB-CB 4.09Å; A184-E266 PolarHBondContact O-N 3.45Å |
| 185 | C | 95.3 | Very high | 94.3 | Very high | 78 Ų | 78 | 65.8 Ų | 65.8 | 53% | 0.527 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 109.2 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | V182 T264 | V182-C185 HydrophobicContact CB-CB 4.29Å; V182-C185 HydrophobicContact CG2-CB 3.87Å; C185-T264 WeakPolarHBondContact CA-O 3.22Å |
| 186 | F | 96 | Very high | 94.1 | Very high | 103 Ų | 103 | 66.5 Ų | 66.5 | 45% | 0.452 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 160 | 178.6 | 59.8 | -87.1 | 0 | 0 | 0 | 109.7 | A184 T264 | A184-F186 HydrophobicContact CB-CE1 4.39Å; F186-T264 HydrophobicContact CE1-CG2 3.87Å; F186-T264 HydrophobicContact CE2-CG2 4.5Å; F186-T264 HydrophobicContact CZ-CG2 3.75Å; F186-T264 PolarHBondContact N-O 2.99Å; F186-T264 VanDerWaalsContact N-O 3.11Å; F186-T264 PolarHBondContact O-N 2.97Å |
| 187 | Y | 94.8 | Very high | 94 | Very high | 133 Ų | 133 | 66.4 Ų | 66.4 | 52% | 0.522 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 156.7 | 171.9 | 70.2 | -92.4 | 0 | 0 | 0 | 110.2 | F189 L261 I262 F263 | Y187-F189 HydrophobicContact CE2-CZ 4.46Å; Y187-L261 HydrophobicContact CD2-CD2 3.37Å; Y187-L261 HydrophobicContact CE2-CD2 3.73Å; Y187-L261 HydrophobicContact CG-CD2 4.25Å; Y187-I262 CarbonylContact C-O 3.56Å; Y187-I262 WeakPolarHBondContact CA-O 3.31Å; Y187-F263 HydrophobicContact CD1-CE1 4.06Å; Y187-F263 HydrophobicContact CD1-CZ 4.19Å; Y187-F263 HydrophobicContact CG-CE1 4.23Å; Y187-F263 HydrophobicContact CG-CZ 4.15Å |
| 188 | R | 92.7 | Very high | 93.8 | Very high | 74 Ų | 74 | 66.5 Ų | 66.5 | 28% | 0.279 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 159.8 | 165.6 | 66.4 | 175.6 | -172.8 | -117.4 | 0.8 | 109.5 | R234 M237 I262 | R188-R234 PolarHBondContact NH2-O 2.8Å; R188-M237 VanDerWaalsContact CZ-SD 3.58Å; R188-M237 PolarHBondContact NH1-SD 3.02Å; R188-I262 HydrophobicContact CG-CB 4.14Å; R188-I262 PolarHBondContact N-O 3.34Å; R188-I262 PolarHBondContact O-N 2.6Å |
| 189 | F | 94.3 | Very high | 93.7 | Very high | 68 Ų | 68 | 59.6 Ų | 59.6 | 30% | 0.298 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 148 | 170.8 | -63.5 | -73.4 | 0 | 0 | 0 | 110.4 | Y187 P191 H257 M258 H260 L261 | Y187-F189 HydrophobicContact CE2-CZ 4.46Å; F189-P191 WeakPolarHBondContact O-CD 3.49Å; F189-H257 WeakPolarHBondContact CB-O 3.33Å; F189-H257 VanDerWaalsContact CD1-O 3.24Å; F189-H257 WeakPolarHBondContact CD1-O 3.34Å; F189-M258 HydrophobicContact CD1-SD 4.41Å; F189-M258 HydrophobicContact CD2-SD 4.4Å; F189-M258 VanDerWaalsContact CE1-O 3.31Å; F189-M258 WeakPolarHBondContact CE1-O 3.41Å; F189-M258 HydrophobicContact CE1-SD 4.14Å; F189-M258 HydrophobicContact CE2-SD 4.15Å; F189-M258 HydrophobicContact CZ-SD 4.01Å; F189-H260 CarbonylContact C-O 3.48Å; F189-H260 WeakPolarHBondContact CA-O 3.36Å; F189-L261 HydrophobicContact CD1-CD2 3.66Å; F189-L261 HydrophobicContact CD1-CG 4.33Å; F189-L261 HydrophobicContact CE1-CD2 3.47Å; F189-L261 VanDerWaalsContact CE1-CD2 3.47Å; F189-L261 HydrophobicContact CE1-CG 4.25Å; F189-L261 HydrophobicContact CG-CD2 4.48Å; F189-L261 HydrophobicContact CZ-CD2 4.15Å |
| 190 | H | 93.2 | Very high | 93.6 | Very high | 34 Ų | 34 | 59.8 Ų | 59.8 | 16% | 0.157 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 121.9 | 171.6 | -167.6 | -68.9 | 0 | 0 | 0 | 108.2 | H257 H260 I262 | H190-H257 PolarHBondContact O-N 3.48Å; H190-H260 HydrophobicContact CB-CB 3.77Å; H190-H260 AromaticContact CD2-CE1 3.23Å; H190-H260 PolarHBondContact CD2-CE1 2.89Å; H190-H260 AromaticContact CD2-ND1 3.72Å; H190-H260 AromaticContact CD2-NE2 3.43Å; H190-H260 PolarHBondContact CD2-NE2 3.23Å; H190-H260 AromaticContact CG-CE1 3.66Å; H190-H260 AromaticContact CG-CG 3.98Å; H190-H260 AromaticContact CG-ND1 3.65Å; H190-H260 AromaticContact CG-NE2 3.96Å; H190-H260 PolarHBondContact N-O 3.24Å; H190-H260 AromaticContact NE2-CE1 3.98Å; H190-I262 HydrophobicContact CB-CD1 4.12Å; H190-I262 HydrophobicContact CB-CG1 4.32Å |
| 191 | P | 92.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 146.1 | 178.6 | 29.5 | -36.9 | 0 | 0 | 0 | 110.1 | F189 A233 E236 T255 | F189-P191 WeakPolarHBondContact O-CD 3.49Å; P191-A233 HydrophobicContact CG-CB 4.37Å; P191-A233 WeakPolarHBondContact CG-O 3.49Å; P191-A233 WeakPolarHBondContact O-CB 3.25Å; P191-E236 HydrophobicContact CB-CB 4.47Å; P191-E236 HydrophobicContact CG-CB 4.24Å; P191-T255 CarbonylContact C-O 3.59Å; P191-T255 WeakPolarHBondContact CA-O 3.45Å |
| 192 | E | 91.1 | Very high | 93.3 | Very high | 49 Ų | 49 | 66 Ų | 66 | 23% | 0.229 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.5 | 173.6 | -173.2 | -177.9 | -156.5 | 0 | 0 | 107.2 | K194 V254 T255 H257 | E192-K194 HydrophobicContact CG-CG 4.37Å; E192-K194 WeakPolarHBondContact OE1-CE 3.42Å; E192-K194 IonicContact OE1-NZ 2.71Å; E192-K194 PolarHBondContact OE1-NZ 2.93Å; E192-K194 WeakPolarHBondContact OE2-CE 3.38Å; E192-K194 IonicContact OE2-NZ 3.3Å; E192-K194 PolarHBondContact OE2-NZ 2.78Å; E192-V254 CarbonylContact O-C 3.59Å; E192-V254 WeakPolarHBondContact O-CA 3.41Å; E192-T255 PolarHBondContact N-O 3.42Å; E192-T255 PolarHBondContact O-N 3.43Å; E192-T255 PolarHBondContact O-OG1 3.3Å; E192-T255 PolarHBondContact OE2-OG1 3.13Å; E192-T255 VanDerWaalsContact OE2-OG1 3.11Å; E192-H257 WeakPolarHBondContact CB-NE2 3.41Å; E192-H257 WeakPolarHBondContact CG-NE2 3.14Å; E192-H257 IonicContact OE1-CE1 3.95Å; E192-H257 PolarHBondContact OE1-CE1 3.2Å; E192-H257 VanDerWaalsContact OE1-CE1 3.3Å; E192-H257 IonicContact OE1-NE2 3.85Å; E192-H257 IonicContact OE2-CE1 2.97Å |
| 193 | I | 91.6 | Very high | 93 | Very high | 18 Ų | 18 | 67.1 Ų | 67.1 | 9% | 0.092 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 116.2 | 179.9 | -55.3 | 175.7 | 0 | 0 | 0 | 107.4 | V215 V230 A233 E236 V252 T253 V254 | I193-V215 HydrophobicContact CD1-CG1 3.25Å; I193-V230 HydrophobicContact CB-CG1 4.12Å; I193-V230 HydrophobicContact CB-CG2 3.89Å; I193-V230 HydrophobicContact CD1-CG1 4.23Å; I193-V230 HydrophobicContact CG2-CG2 3.74Å; I193-A233 HydrophobicContact CD1-CB 4.11Å; I193-A233 HydrophobicContact CG1-CB 4.21Å; I193-E236 HydrophobicContact CD1-CB 4.06Å; I193-E236 HydrophobicContact CD1-CG 4.23Å; I193-V252 HydrophobicContact CG2-CG1 3.98Å; I193-T253 WeakPolarHBondContact CA-O 3.42Å; I193-V254 HydrophobicContact CG1-CG1 4.44Å; I193-V254 HydrophobicContact CG1-CG2 4.31Å |
| 194 | K | 92 | Very high | 93 | Very high | 93 Ų | 93 | 63.9 Ų | 63.9 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.9 | 175.5 | -64.1 | -173.6 | -175.1 | 172.6 | 0 | 109.7 | E192 V252 T253 | E192-K194 HydrophobicContact CG-CG 4.37Å; E192-K194 WeakPolarHBondContact OE1-CE 3.42Å; E192-K194 IonicContact OE1-NZ 2.71Å; E192-K194 PolarHBondContact OE1-NZ 2.93Å; E192-K194 WeakPolarHBondContact OE2-CE 3.38Å; E192-K194 IonicContact OE2-NZ 3.3Å; E192-K194 PolarHBondContact OE2-NZ 2.78Å; K194-V252 WeakPolarHBondContact O-CA 3.39Å; K194-T253 PolarHBondContact N-O 3.39Å; K194-T253 PolarHBondContact O-N 3.27Å |
| 195 | L | 92.8 | Very high | 93 | Very high | 48 Ų | 48 | 65.3 Ų | 65.3 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 112.2 | 168.1 | -54.6 | -179.1 | 0 | 0 | 0 | 107.3 | R197 L207 A228 V230 V252 | L195-R197 VanDerWaalsContact C-N 3.25Å; L195-R197 PolarHBondContact O-N 2.88Å; L195-L207 HydrophobicContact CD2-CD2 3.92Å; L195-A228 HydrophobicContact CD1-CB 4.48Å; L195-A228 WeakPolarHBondContact CD1-O 3.16Å; L195-V230 HydrophobicContact CD1-CG2 4.38Å; L195-V230 HydrophobicContact CG-CG2 4.28Å; L195-V252 HydrophobicContact CD2-CB 4.41Å; L195-V252 HydrophobicContact CD2-CG1 4.14Å; L195-V252 HydrophobicContact CD2-CG2 3.74Å |
| 196 | H | 92.8 | Very high | 92.8 | Very high | 118 Ų | 118 | 64.2 Ų | 64.2 | 55% | 0.546 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -76.7 | -16.9 | -178.2 | -66.4 | -59.2 | 0 | 0 | 0 | 112.9 | A251 T253 | H196-A251 PolarHBondContact N-O 3.42Å; H196-T253 WeakPolarHBondContact NE2-CB 3.49Å; H196-T253 PolarHBondContact NE2-OG1 3.11Å |
| 197 | R | 93.2 | Very high | 92.6 | Very high | 101 Ų | 101 | 59.3 Ų | 59.3 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -141.7 | 157 | 172.9 | 65.3 | 179.3 | 178.8 | 105 | -4.3 | 110.1 | L195 L199 E203 E247 A251 | L195-R197 VanDerWaalsContact C-N 3.25Å; L195-R197 PolarHBondContact O-N 2.88Å; R197-L199 HydrophobicContact CG-CD2 4.14Å; R197-L199 VanDerWaalsContact CZ-CD2 3.47Å; R197-E203 IonicContact CZ-OE1 3.8Å; R197-E203 VanDerWaalsContact CZ-OE1 3.3Å; R197-E203 IonicContact CZ-OE2 3.92Å; R197-E203 VanDerWaalsContact NH1-CD 3.35Å; R197-E203 IonicContact NH1-OE1 2.99Å; R197-E203 PolarHBondContact NH1-OE1 3.17Å; R197-E203 IonicContact NH1-OE2 2.87Å; R197-E203 PolarHBondContact NH1-OE2 3.06Å; R197-E203 IonicContact NH2-OE1 2.93Å; R197-E203 PolarHBondContact NH2-OE1 3.46Å; R197-E203 IonicContact NH2-OE2 3.3Å; R197-E247 PolarHBondContact NH2-O 2.94Å; R197-A251 HydrophobicContact CG-CB 4Å |
| 198 | D | 92.6 | Very high | 92.4 | Very high | 81 Ų | 81 | 56.6 Ų | 56.6 | 43% | 0.433 | 26% | 0.264 | S | S | . | . | trans | -70 | 130.9 | 171 | -71.1 | -12.3 | 0 | 0 | 0 | 110.1 | Y200 K227 | D198-Y200 HydrophobicContact CB-CD2 4.29Å; D198-Y200 HydrophobicContact CB-CE2 3.41Å; D198-Y200 VanDerWaalsContact CB-CE2 3.41Å; D198-Y200 PolarHBondContact OD2-OH 3.3Å; D198-K227 WeakPolarHBondContact OD1-CE 3.35Å; D198-K227 IonicContact OD1-NZ 2.82Å; D198-K227 PolarHBondContact OD1-NZ 3.25Å; D198-K227 IonicContact OD2-NZ 2.91Å; D198-K227 PolarHBondContact OD2-NZ 3.18Å | ||
| 199 | L | 92.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -112.4 | 128.8 | 177.6 | -61.3 | 169.5 | 0 | 0 | 0 | 108.4 | R197 E203 L207 K227 A228 L248 A251 V252 | R197-L199 HydrophobicContact CG-CD2 4.14Å; R197-L199 VanDerWaalsContact CZ-CD2 3.47Å; L199-E203 HydrophobicContact CB-CB 4.18Å; L199-E203 HydrophobicContact CD2-CB 4.12Å; L199-L207 HydrophobicContact CD1-CD2 3.63Å; L199-K227 WeakPolarHBondContact O-CA 3.31Å; L199-A228 HydrophobicContact CB-CB 4.15Å; L199-A228 PolarHBondContact O-N 2.86Å; L199-L248 HydrophobicContact CD1-CD2 4.01Å; L199-L248 HydrophobicContact CD2-CD2 3.86Å; L199-A251 HydrophobicContact CD1-CB 4.38Å; L199-A251 HydrophobicContact CD2-CB 4.11Å; L199-V252 HydrophobicContact CD1-CG2 4.29Å | ||
| 200 | Y | 94.3 | Very high | 92 | Very high | 52 Ų | 52 | 59.4 Ų | 59.4 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -120.9 | 151.6 | -174.4 | -63.9 | -83.4 | 0 | 0 | 0 | 111.9 | D198 N202 E203 A204 R225 K226 K227 | D198-Y200 HydrophobicContact CB-CD2 4.29Å; D198-Y200 HydrophobicContact CB-CE2 3.41Å; D198-Y200 VanDerWaalsContact CB-CE2 3.41Å; D198-Y200 PolarHBondContact OD2-OH 3.3Å; Y200-N202 PolarHBondContact O-N 3.18Å; Y200-N202 VanDerWaalsContact O-N 3.1Å; Y200-E203 PolarHBondContact O-N 3.08Å; Y200-A204 PolarHBondContact O-N 3.15Å; Y200-R225 HydrophobicContact CD1-CB 3.93Å; Y200-K226 CarbonylContact C-O 3.46Å; Y200-K226 VanDerWaalsContact CA-O 3.26Å; Y200-K226 WeakPolarHBondContact CA-O 3.47Å; Y200-K227 HydrophobicContact CD1-CB 4.05Å; Y200-K227 HydrophobicContact CE1-CB 3.9Å; Y200-K227 HydrophobicContact CE1-CD 4.18Å; Y200-K227 HydrophobicContact CE1-CG 4.18Å |
| 201 | D | 92.6 | Very high | 91.8 | Very high | 60 Ų | 60 | 58.3 Ų | 58.3 | 32% | 0.321 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | 47.8 | -109.6 | 168.6 | -51.8 | -48.8 | 0 | 0 | 0 | 112.6 | E203 A204 E205 R225 K226 | D201-E203 VanDerWaalsContact C-N 3.35Å; D201-E203 PolarHBondContact O-N 3.37Å; D201-A204 WeakPolarHBondContact O-CB 3.48Å; D201-A204 PolarHBondContact O-N 3.25Å; D201-A204 VanDerWaalsContact O-N 3.09Å; D201-E205 WeakPolarHBondContact O-CG 3.17Å; D201-E205 PolarHBondContact O-N 3.3Å; D201-R225 WeakPolarHBondContact OD1-CA 3.33Å; D201-R225 WeakPolarHBondContact OD2-CG 3.4Å; D201-K226 PolarHBondContact N-O 2.83Å; D201-K226 PolarHBondContact OD1-N 3.27Å |
| 202 | N | 92.7 | Very high | 91.6 | Very high | 144 Ų | 144 | 59.9 Ų | 59.9 | 77% | 0.77 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.3 | -40.6 | -178 | -65.6 | -18.3 | 0 | 0 | 0 | 112.7 | Y200 A204 L206 | Y200-N202 PolarHBondContact O-N 3.18Å; Y200-N202 VanDerWaalsContact O-N 3.1Å; N202-A204 VanDerWaalsContact C-N 3.31Å; N202-L206 WeakPolarHBondContact O-CB 3.45Å; N202-L206 PolarHBondContact O-N 3Å |
| 203 | E | 91.7 | Very high | 91.6 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68 | -35.2 | 176.8 | -66.4 | -171.9 | 122.6 | 0 | 0 | 111.1 | R197 L199 Y200 D201 L207 L248 | R197-E203 IonicContact CZ-OE1 3.8Å; R197-E203 VanDerWaalsContact CZ-OE1 3.3Å; R197-E203 IonicContact CZ-OE2 3.92Å; R197-E203 VanDerWaalsContact NH1-CD 3.35Å; R197-E203 IonicContact NH1-OE1 2.99Å; R197-E203 PolarHBondContact NH1-OE1 3.17Å; R197-E203 IonicContact NH1-OE2 2.87Å; R197-E203 PolarHBondContact NH1-OE2 3.06Å; R197-E203 IonicContact NH2-OE1 2.93Å; R197-E203 PolarHBondContact NH2-OE1 3.46Å; R197-E203 IonicContact NH2-OE2 3.3Å; L199-E203 HydrophobicContact CB-CB 4.18Å; L199-E203 HydrophobicContact CD2-CB 4.12Å; Y200-E203 PolarHBondContact O-N 3.08Å; D201-E203 VanDerWaalsContact C-N 3.35Å; D201-E203 PolarHBondContact O-N 3.37Å; E203-L207 WeakPolarHBondContact O-CB 3.45Å; E203-L207 PolarHBondContact O-N 2.9Å; E203-L248 HydrophobicContact CB-CD2 4.42Å |
| 204 | A | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.2 | -45.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y200 D201 N202 L207 K208 A228 | Y200-A204 PolarHBondContact O-N 3.15Å; D201-A204 WeakPolarHBondContact O-CB 3.48Å; D201-A204 PolarHBondContact O-N 3.25Å; D201-A204 VanDerWaalsContact O-N 3.09Å; N202-A204 VanDerWaalsContact C-N 3.31Å; A204-L207 PolarHBondContact O-N 3.03Å; A204-K208 WeakPolarHBondContact O-CB 3.23Å; A204-K208 PolarHBondContact O-N 3.33Å; A204-A228 HydrophobicContact CB-CB 3.74Å |
| 205 | E | 92.7 | Very high | 91.6 | Very high | 59 Ų | 59 | 63.2 Ų | 63.2 | 28% | 0.276 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 176.1 | -63 | -72.9 | -179.2 | 0 | 0 | 110.4 | D201 L207 K208 E209 K226 | D201-E205 WeakPolarHBondContact O-CG 3.17Å; D201-E205 PolarHBondContact O-N 3.3Å; E205-L207 PolarHBondContact O-N 2.96Å; E205-K208 WeakPolarHBondContact O-CB 3.19Å; E205-K208 PolarHBondContact O-N 3.19Å; E205-K208 VanDerWaalsContact O-N 3.12Å; E205-E209 WeakPolarHBondContact O-CG 3.5Å; E205-E209 PolarHBondContact O-N 2.76Å; E205-K226 WeakPolarHBondContact OE1-CD 3.45Å; E205-K226 IonicContact OE1-NZ 3.94Å; E205-K226 PolarHBondContact OE1-NZ 3.05Å |
| 206 | L | 91 | Very high | 91.6 | Very high | 55 Ų | 55 | 61 Ų | 61 | 29% | 0.288 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 176.2 | -177.1 | 66.7 | 0 | 0 | 0 | 112.2 | N202 K208 E209 N210 I245 L248 | N202-L206 WeakPolarHBondContact O-CB 3.45Å; N202-L206 PolarHBondContact O-N 3Å; L206-K208 VanDerWaalsContact C-N 3.35Å; L206-E209 PolarHBondContact O-N 2.77Å; L206-N210 PolarHBondContact O-N 3.09Å; L206-N210 PolarHBondContact O-ND2 3.29Å; L206-I245 HydrophobicContact CD1-CD1 4.42Å; L206-I245 HydrophobicContact CD2-CD1 4.35Å; L206-I245 HydrophobicContact CD2-CG2 4Å; L206-I245 HydrophobicContact CG-CD1 4.06Å; L206-L248 HydrophobicContact CD2-CD1 4.17Å; L206-L248 HydrophobicContact CG-CD1 4.21Å |
| 207 | L | 91 | Very high | 91.7 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174.1 | 179.4 | 61.5 | 0 | 0 | 0 | 111.1 | L195 L199 E203 A204 E205 N210 M211 I216 A228 L248 V252 | L195-L207 HydrophobicContact CD2-CD2 3.92Å; L199-L207 HydrophobicContact CD1-CD2 3.63Å; E203-L207 WeakPolarHBondContact O-CB 3.45Å; E203-L207 PolarHBondContact O-N 2.9Å; A204-L207 PolarHBondContact O-N 3.03Å; E205-L207 PolarHBondContact O-N 2.96Å; L207-N210 PolarHBondContact O-N 3.28Å; L207-M211 HydrophobicContact CD1-CE 3.91Å; L207-M211 HydrophobicContact CD1-CG 3.85Å; L207-M211 HydrophobicContact CG-CG 4.34Å; L207-M211 WeakPolarHBondContact O-CB 3.3Å; L207-M211 VanDerWaalsContact O-CG 3.28Å; L207-M211 WeakPolarHBondContact O-CG 3.44Å; L207-M211 PolarHBondContact O-N 3Å; L207-M211 VanDerWaalsContact O-N 3.11Å; L207-I216 HydrophobicContact CD2-CD1 4.13Å; L207-I216 HydrophobicContact CD2-CG1 4.24Å; L207-I216 HydrophobicContact CD2-CG2 4.27Å; L207-I216 HydrophobicContact CG-CG1 4.14Å; L207-I216 HydrophobicContact CG-CG2 4.37Å; L207-A228 HydrophobicContact CD2-CB 4.21Å; L207-L248 HydrophobicContact CB-CD1 3.96Å; L207-L248 HydrophobicContact CD1-CD1 4.26Å; L207-V252 HydrophobicContact CD1-CG2 3.84Å; L207-V252 HydrophobicContact CD2-CG2 4.02Å |
| 208 | K | 91.8 | Very high | 91.8 | Very high | 75 Ų | 75 | 54.2 Ų | 54.2 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 179.1 | 179.1 | 168.6 | 179.2 | 160.9 | 0 | 112.5 | A204 E205 L206 I216 D217 | A204-K208 WeakPolarHBondContact O-CB 3.23Å; A204-K208 PolarHBondContact O-N 3.33Å; E205-K208 WeakPolarHBondContact O-CB 3.19Å; E205-K208 PolarHBondContact O-N 3.19Å; E205-K208 VanDerWaalsContact O-N 3.12Å; L206-K208 VanDerWaalsContact C-N 3.35Å; K208-I216 HydrophobicContact CB-CB 4.38Å; K208-I216 HydrophobicContact CB-CG2 4.21Å; K208-I216 WeakPolarHBondContact CD-O 3.24Å; K208-I216 WeakPolarHBondContact CG-O 3.43Å; K208-D217 IonicContact NZ-OD1 3.27Å; K208-D217 PolarHBondContact NZ-OD1 3.42Å |
| 209 | E | 89.9 | Confident | 91.8 | Very high | 151 Ų | 151 | 53.6 Ų | 53.6 | 71% | 0.706 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -68 | -32.2 | 177.7 | -74.4 | -179.8 | 170.8 | 0 | 0 | 113.4 | E205 L206 | E205-E209 WeakPolarHBondContact O-CG 3.5Å; E205-E209 PolarHBondContact O-N 2.76Å; L206-E209 PolarHBondContact O-N 2.77Å |
| 210 | N | 88.8 | Confident | 91.8 | Very high | 50 Ų | 50 | 58.4 Ų | 58.4 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -93.8 | -9.8 | -176.1 | -75.1 | -92.5 | 0 | 0 | 0 | 113.9 | L206 L207 N241 I245 | L206-N210 PolarHBondContact O-N 3.09Å; L206-N210 PolarHBondContact O-ND2 3.29Å; L207-N210 PolarHBondContact O-N 3.28Å; N210-N241 WeakPolarHBondContact O-CB 3.43Å; N210-N241 PolarHBondContact O-ND2 3.26Å; N210-N241 VanDerWaalsContact O-ND2 3.11Å; N210-I245 HydrophobicContact CB-CD1 3.77Å; N210-I245 VanDerWaalsContact CG-CD1 3.49Å |
| 211 | M | 88.3 | Confident | 91.5 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 5% | 0.054 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -93.5 | 164.7 | 173.4 | -74.5 | -73.1 | 171.4 | 0 | 0 | 111.5 | L207 V215 I216 H242 V252 V254 | L207-M211 HydrophobicContact CD1-CE 3.91Å; L207-M211 HydrophobicContact CD1-CG 3.85Å; L207-M211 HydrophobicContact CG-CG 4.34Å; L207-M211 WeakPolarHBondContact O-CB 3.3Å; L207-M211 VanDerWaalsContact O-CG 3.28Å; L207-M211 WeakPolarHBondContact O-CG 3.44Å; L207-M211 PolarHBondContact O-N 3Å; L207-M211 VanDerWaalsContact O-N 3.11Å; M211-V215 HydrophobicContact CB-CB 4.39Å; M211-I216 HydrophobicContact CB-CG1 4.07Å; M211-I216 HydrophobicContact CG-CG1 3.96Å; M211-H242 HydrophobicContact CE-CB 3.49Å; M211-H242 VanDerWaalsContact CE-CB 3.49Å; M211-H242 WeakPolarHBondContact CE-ND1 3.23Å; M211-V252 HydrophobicContact CE-CG1 4.11Å; M211-V254 HydrophobicContact CE-CG2 4.41Å |
| 212 | S | 89.1 | Confident | 91.2 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 141.7 | 175.2 | -46 | 0 | 0 | 0 | 0 | 110.4 | G214 V215 E236 | S212-G214 PolarHBondContact O-N 3Å; S212-V215 VanDerWaalsContact O-CB 3.29Å; S212-V215 WeakPolarHBondContact O-CB 3.5Å; S212-V215 VanDerWaalsContact O-CG2 3.27Å; S212-V215 WeakPolarHBondContact O-CG2 3.39Å; S212-V215 PolarHBondContact O-N 2.84Å; S212-E236 PolarHBondContact OG-OE2 3.01Å |
| 213 | K | 89.5 | Confident | 90.9 | Very high | 203 Ų | 203 | 63.5 Ų | 63.5 | 88% | 0.883 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 126.9 | -176.3 | -174.8 | 179.2 | -179.6 | 178.8 | 0 | 111.1 | V215 | K213-V215 VanDerWaalsContact C-N 3.34Š|
| 214 | G | 91.1 | Very high | 90.7 | Very high | 27 Ų | 27 | 64 Ų | 64 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 0.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S212 | S212-G214 PolarHBondContact O-N 3Š|
| 215 | V | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -45.2 | 173 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | I193 M211 S212 K213 S231 N232 L235 E236 | I193-V215 HydrophobicContact CD1-CG1 3.25Å; M211-V215 HydrophobicContact CB-CB 4.39Å; S212-V215 VanDerWaalsContact O-CB 3.29Å; S212-V215 WeakPolarHBondContact O-CB 3.5Å; S212-V215 VanDerWaalsContact O-CG2 3.27Å; S212-V215 WeakPolarHBondContact O-CG2 3.39Å; S212-V215 PolarHBondContact O-N 2.84Å; K213-V215 VanDerWaalsContact C-N 3.34Å; V215-S231 PolarHBondContact O-N 3.4Å; V215-N232 PolarHBondContact O-N 3.28Å; V215-L235 HydrophobicContact CG2-CB 3.73Å; V215-E236 HydrophobicContact CG1-CB 4.22Å; V215-E236 HydrophobicContact CG2-CB 3.93Å |
| 216 | I | 93.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.3 | -178.7 | -56.8 | -68.2 | 0 | 0 | 0 | 109.1 | L207 K208 M211 A228 V229 V230 | L207-I216 HydrophobicContact CD2-CD1 4.13Å; L207-I216 HydrophobicContact CD2-CG1 4.24Å; L207-I216 HydrophobicContact CD2-CG2 4.27Å; L207-I216 HydrophobicContact CG-CG1 4.14Å; L207-I216 HydrophobicContact CG-CG2 4.37Å; K208-I216 HydrophobicContact CB-CB 4.38Å; K208-I216 HydrophobicContact CB-CG2 4.21Å; K208-I216 WeakPolarHBondContact CD-O 3.24Å; K208-I216 WeakPolarHBondContact CG-O 3.43Å; M211-I216 HydrophobicContact CB-CG1 4.07Å; M211-I216 HydrophobicContact CG-CG1 3.96Å; I216-A228 HydrophobicContact CG2-CB 3.95Å; I216-V229 WeakPolarHBondContact CA-O 3.39Å; I216-V230 HydrophobicContact CD1-CG2 3.99Å |
| 217 | D | 94.7 | Very high | 90.8 | Very high | 53 Ų | 53 | 70.1 Ų | 70.1 | 28% | 0.283 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 152.9 | 168.5 | -81.3 | -43.7 | 0 | 0 | 0 | 111.5 | K208 A228 V229 S231 | K208-D217 IonicContact NZ-OD1 3.27Å; K208-D217 PolarHBondContact NZ-OD1 3.42Å; D217-A228 WeakPolarHBondContact O-CA 3.34Å; D217-V229 HydrophobicContact CB-CG2 4.37Å; D217-V229 PolarHBondContact N-O 3.28Å; D217-V229 WeakPolarHBondContact O-CG2 3.23Å; D217-V229 PolarHBondContact O-N 2.82Å; D217-S231 WeakPolarHBondContact OD2-CB 3.4Å; D217-S231 PolarHBondContact OD2-OG 2.97Å |
| 218 | C | 93.9 | Very high | 90.9 | Very high | 24 Ų | 24 | 70.1 Ų | 70.1 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 103.3 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 107.8 | K226 K227 | C218-K226 HydrophobicContact CB-CB 4.19Å; C218-K226 HydrophobicContact CB-CD 4.29Å; C218-K227 CarbonylContact C-O 3.58Å; C218-K227 WeakPolarHBondContact CA-O 3.41Å |
| 219 | V | 93 | Very high | 91 | Very high | 69 Ų | 69 | 69 Ų | 69 | 42% | 0.418 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.3 | -177.5 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | C221 K226 K227 V229 | V219-C221 PolarHBondContact O-N 2.96Å; V219-K226 CarbonylContact O-C 3.47Å; V219-K226 WeakPolarHBondContact O-CA 3.27Å; V219-K227 PolarHBondContact N-O 3.2Å; V219-K227 PolarHBondContact O-N 3.03Å; V219-V229 HydrophobicContact CB-CG2 4.31Å; V219-V229 HydrophobicContact CG2-CG2 3.5Å |
| 220 | P | 92.1 | Very high | 91.2 | Very high | 101 Ų | 101 | 64.3 Ų | 64.3 | 66% | 0.656 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 130.9 | 174.9 | 27.9 | -33.8 | 0 | 0 | 0 | 110.8 | ||
| 221 | C | 89.1 | Confident | 91.5 | Very high | 40 Ų | 40 | 65.1 Ų | 65.1 | 27% | 0.27 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 164.3 | 171.5 | -68.4 | 0 | 0 | 0 | 0 | 111.3 | V219 D223 G224 R225 K227 | V219-C221 PolarHBondContact O-N 2.96Å; C221-D223 PolarHBondContact O-N 3.26Å; C221-G224 PolarHBondContact O-N 3.22Å; C221-R225 PolarHBondContact N-O 2.85Å; C221-K227 WeakPolarHBondContact SG-CB 3.38Å |
| 222 | E | 86.3 | Confident | 91.7 | Very high | 205 Ų | 205 | 67.6 Ų | 67.6 | 96% | 0.958 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.9 | 174.8 | -63.5 | -179.3 | -179.5 | 0 | 0 | 112.4 | G224 | E222-G224 PolarHBondContact O-N 3.43Å; E222-G224 VanDerWaalsContact O-N 3.17Å |
| 223 | D | 85.5 | Confident | 91.8 | Very high | 117 Ų | 117 | 66.6 Ų | 66.6 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -3.3 | 175.9 | -63.1 | -12.5 | 0 | 0 | 0 | 114.5 | C221 R225 | C221-D223 PolarHBondContact O-N 3.26Å; D223-R225 VanDerWaalsContact C-N 3.29Å; D223-R225 PolarHBondContact O-N 3.46Å; D223-R225 IonicContact OD2-CZ 2.7Å; D223-R225 IonicContact OD2-NH2 2.8Å; D223-R225 PolarHBondContact OD2-NH2 2.73Å |
| 224 | G | 87.2 | Confident | 92 | Very high | 66 Ų | 66 | 62 Ų | 62 | 68% | 0.68 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 82.7 | -8.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | C221 E222 | C221-G224 PolarHBondContact O-N 3.22Å; E222-G224 PolarHBondContact O-N 3.43Å; E222-G224 VanDerWaalsContact O-N 3.17Å |
| 225 | R | 91.2 | Very high | 92 | Very high | 97 Ų | 97 | 64.3 Ų | 64.3 | 37% | 0.366 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 155.2 | 173.7 | -66.7 | -177.8 | -71.5 | 170.4 | -1.2 | 111.9 | Y200 D201 C221 D223 | Y200-R225 HydrophobicContact CD1-CB 3.93Å; D201-R225 WeakPolarHBondContact OD1-CA 3.33Å; D201-R225 WeakPolarHBondContact OD2-CG 3.4Å; C221-R225 PolarHBondContact N-O 2.85Å; D223-R225 VanDerWaalsContact C-N 3.29Å; D223-R225 PolarHBondContact O-N 3.46Å; D223-R225 IonicContact OD2-CZ 2.7Å; D223-R225 IonicContact OD2-NH2 2.8Å; D223-R225 PolarHBondContact OD2-NH2 2.73Å |
| 226 | K | 92.1 | Very high | 91.8 | Very high | 95 Ų | 95 | 64.4 Ų | 64.4 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.5 | 172.1 | -66.7 | 179.8 | 178.6 | 175.4 | 0 | 110.7 | Y200 D201 E205 C218 V219 | Y200-K226 CarbonylContact C-O 3.46Å; Y200-K226 VanDerWaalsContact CA-O 3.26Å; Y200-K226 WeakPolarHBondContact CA-O 3.47Å; D201-K226 PolarHBondContact N-O 2.83Å; D201-K226 PolarHBondContact OD1-N 3.27Å; E205-K226 WeakPolarHBondContact OE1-CD 3.45Å; E205-K226 IonicContact OE1-NZ 3.94Å; E205-K226 PolarHBondContact OE1-NZ 3.05Å; C218-K226 HydrophobicContact CB-CB 4.19Å; C218-K226 HydrophobicContact CB-CD 4.29Å; V219-K226 CarbonylContact O-C 3.47Å; V219-K226 WeakPolarHBondContact O-CA 3.27Å |
| 227 | K | 95 | Very high | 91.3 | Very high | 52 Ų | 52 | 69.3 Ų | 69.3 | 23% | 0.226 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 135.6 | 178 | 178.8 | 173.2 | 177.1 | 166.8 | 0 | 111.6 | D198 L199 Y200 C218 V219 C221 V229 | D198-K227 WeakPolarHBondContact OD1-CE 3.35Å; D198-K227 IonicContact OD1-NZ 2.82Å; D198-K227 PolarHBondContact OD1-NZ 3.25Å; D198-K227 IonicContact OD2-NZ 2.91Å; D198-K227 PolarHBondContact OD2-NZ 3.18Å; L199-K227 WeakPolarHBondContact O-CA 3.31Å; Y200-K227 HydrophobicContact CD1-CB 4.05Å; Y200-K227 HydrophobicContact CE1-CB 3.9Å; Y200-K227 HydrophobicContact CE1-CD 4.18Å; Y200-K227 HydrophobicContact CE1-CG 4.18Å; C218-K227 CarbonylContact C-O 3.58Å; C218-K227 WeakPolarHBondContact CA-O 3.41Å; V219-K227 PolarHBondContact N-O 3.2Å; V219-K227 PolarHBondContact O-N 3.03Å; C221-K227 WeakPolarHBondContact SG-CB 3.38Å; K227-V229 PolarHBondContact O-N 3.49Å |
| 228 | A | 93.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.008 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 127.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L195 L199 A204 L207 I216 D217 | L195-A228 HydrophobicContact CD1-CB 4.48Å; L195-A228 WeakPolarHBondContact CD1-O 3.16Å; L199-A228 HydrophobicContact CB-CB 4.15Å; L199-A228 PolarHBondContact O-N 2.86Å; A204-A228 HydrophobicContact CB-CB 3.74Å; L207-A228 HydrophobicContact CD2-CB 4.21Å; I216-A228 HydrophobicContact CG2-CB 3.95Å; D217-A228 WeakPolarHBondContact O-CA 3.34Å |
| 229 | V | 94.6 | Very high | 89.4 | Confident | 50 Ų | 50 | 71.5 Ų | 71.5 | 30% | 0.303 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146 | 172 | -63 | 0 | 0 | 0 | 0 | 109.5 | I216 D217 V219 K227 S231 | I216-V229 WeakPolarHBondContact CA-O 3.39Å; D217-V229 HydrophobicContact CB-CG2 4.37Å; D217-V229 PolarHBondContact N-O 3.28Å; D217-V229 WeakPolarHBondContact O-CG2 3.23Å; D217-V229 PolarHBondContact O-N 2.82Å; V219-V229 HydrophobicContact CB-CG2 4.31Å; V219-V229 HydrophobicContact CG2-CG2 3.5Å; K227-V229 PolarHBondContact O-N 3.49Å; V229-S231 PolarHBondContact O-N 3.11Å; V229-S231 VanDerWaalsContact O-N 3.15Å |
| 230 | V | 93.6 | Very high | 88.5 | Confident | 53 Ų | 53 | 69.3 Ų | 69.3 | 32% | 0.321 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 106.8 | 172.4 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | I193 L195 I216 A233 | I193-V230 HydrophobicContact CB-CG1 4.12Å; I193-V230 HydrophobicContact CB-CG2 3.89Å; I193-V230 HydrophobicContact CD1-CG1 4.23Å; I193-V230 HydrophobicContact CG2-CG2 3.74Å; L195-V230 HydrophobicContact CD1-CG2 4.38Å; L195-V230 HydrophobicContact CG-CG2 4.28Å; I216-V230 HydrophobicContact CD1-CG2 3.99Å; V230-A233 HydrophobicContact CG1-CB 4Å |
| 231 | S | 93.7 | Very high | 88 | Confident | 67 Ų | 67 | 67.2 Ų | 67.2 | 47% | 0.469 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -81.7 | -52.7 | -178.9 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | V215 D217 V229 | V215-S231 PolarHBondContact O-N 3.4Å; D217-S231 WeakPolarHBondContact OD2-CB 3.4Å; D217-S231 PolarHBondContact OD2-OG 2.97Å; V229-S231 PolarHBondContact O-N 3.11Å; V229-S231 VanDerWaalsContact O-N 3.15Å |
| 232 | N | 93.1 | Very high | 87.3 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 34% | 0.342 | 36% | 0.36 | S | S | . | . | trans | -146.7 | 93 | 178.9 | -169.9 | -8 | 0 | 0 | 0 | 112.3 | V215 R234 L235 | V215-N232 PolarHBondContact O-N 3.28Å; N232-R234 PolarHBondContact O-N 3.46Å; N232-R234 WeakPolarHBondContact OD1-CB 3.41Å; N232-R234 PolarHBondContact OD1-N 2.6Å; N232-R234 VanDerWaalsContact OD1-N 3.11Å; N232-L235 HydrophobicContact CB-CD1 4.14Å; N232-L235 HydrophobicContact CB-CG 4.32Å; N232-L235 PolarHBondContact O-N 3.26Å | ||
| 233 | A | 92.4 | Very high | 87 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 12% | 0.116 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -58.8 | -31.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P191 I193 V230 L235 E236 | P191-A233 HydrophobicContact CG-CB 4.37Å; P191-A233 WeakPolarHBondContact CG-O 3.49Å; P191-A233 WeakPolarHBondContact O-CB 3.25Å; I193-A233 HydrophobicContact CD1-CB 4.11Å; I193-A233 HydrophobicContact CG1-CB 4.21Å; V230-A233 HydrophobicContact CG1-CB 4Å; A233-L235 PolarHBondContact O-N 3.35Å; A233-E236 WeakPolarHBondContact O-CB 3.31Å; A233-E236 PolarHBondContact O-N 2.82Å |
| 234 | R | 93.1 | Very high | 87 | Confident | 107 Ų | 107 | 66.5 Ų | 66.5 | 40% | 0.404 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -53.9 | -29.7 | -177.5 | -173 | -175.5 | 172.7 | 83.7 | 0.8 | 113.9 | R188 N232 E236 I262 | R188-R234 PolarHBondContact NH2-O 2.8Å; N232-R234 PolarHBondContact O-N 3.46Å; N232-R234 WeakPolarHBondContact OD1-CB 3.41Å; N232-R234 PolarHBondContact OD1-N 2.6Å; N232-R234 VanDerWaalsContact OD1-N 3.11Å; R234-E236 VanDerWaalsContact C-N 3.28Å; R234-I262 HydrophobicContact CG-CD1 3.91Å; R234-I262 VanDerWaalsContact NH2-CG2 3.29Å |
| 235 | L | 91.4 | Very high | 86.8 | Confident | 75 Ų | 75 | 64.3 Ų | 64.3 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -75.6 | -15.6 | -179.5 | -64 | 177.6 | 0 | 0 | 0 | 113.1 | V215 N232 A233 M237 | V215-L235 HydrophobicContact CG2-CB 3.73Å; N232-L235 HydrophobicContact CB-CD1 4.14Å; N232-L235 HydrophobicContact CB-CG 4.32Å; N232-L235 PolarHBondContact O-N 3.26Å; A233-L235 PolarHBondContact O-N 3.35Å; L235-M237 WeakPolarHBondContact O-CE 3.17Å |
| 236 | E | 87.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | trans | -74.9 | 128.5 | 178.3 | -174.3 | 51.7 | -151.3 | 0 | 0 | 110.7 | P191 I193 S212 V215 A233 R234 S239 V254 | P191-E236 HydrophobicContact CB-CB 4.47Å; P191-E236 HydrophobicContact CG-CB 4.24Å; I193-E236 HydrophobicContact CD1-CB 4.06Å; I193-E236 HydrophobicContact CD1-CG 4.23Å; S212-E236 PolarHBondContact OG-OE2 3.01Å; V215-E236 HydrophobicContact CG1-CB 4.22Å; V215-E236 HydrophobicContact CG2-CB 3.93Å; A233-E236 WeakPolarHBondContact O-CB 3.31Å; A233-E236 PolarHBondContact O-N 2.82Å; R234-E236 VanDerWaalsContact C-N 3.28Å; E236-S239 WeakPolarHBondContact OE1-CB 3.42Å; E236-S239 PolarHBondContact OE1-N 2.82Å; E236-S239 PolarHBondContact OE1-OG 3.4Å; E236-V254 HydrophobicContact CG-CG1 4.29Å | ||
| 237 | M | 83.3 | Confident | 86.1 | Confident | 105 Ų | 105 | 67.1 Ų | 67.1 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | trans | -100.9 | 26.5 | -179.1 | -61.1 | -62.9 | 128.2 | 0 | 0 | 112.6 | R188 L235 S239 | R188-M237 VanDerWaalsContact CZ-SD 3.58Å; R188-M237 PolarHBondContact NH1-SD 3.02Å; L235-M237 WeakPolarHBondContact O-CE 3.17Å; M237-S239 VanDerWaalsContact C-N 3.3Å; M237-S239 PolarHBondContact O-N 3.02Å | ||
| 238 | C | 73.9 | Confident | 85.6 | Confident | 78 Ų | 78 | 64.7 Ų | 64.7 | 53% | 0.527 | 34% | 0.341 | S | S | . | . | trans | 53.5 | 45.9 | -172 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | G240 | C238-G240 PolarHBondContact O-N 3.07Š| ||
| 239 | S | 74.1 | Confident | 85.1 | Confident | 45 Ų | 45 | 66 Ų | 66 | 32% | 0.315 | 35% | 0.351 | S | S | . | . | trans | -61.5 | -26.3 | -176.2 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | E236 M237 N241 | E236-S239 WeakPolarHBondContact OE1-CB 3.42Å; E236-S239 PolarHBondContact OE1-N 2.82Å; E236-S239 PolarHBondContact OE1-OG 3.4Å; M237-S239 VanDerWaalsContact C-N 3.3Å; M237-S239 PolarHBondContact O-N 3.02Å; S239-N241 PolarHBondContact O-N 3.27Å; S239-N241 PolarHBondContact OG-N 2.72Å | ||
| 240 | G | 75.6 | Confident | 84.8 | Confident | 23 Ų | 23 | 72.1 Ų | 72.1 | 24% | 0.237 | 38% | 0.377 | C | S | . | . | trans | 65 | 12.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C238 H242 F243 | C238-G240 PolarHBondContact O-N 3.07Å; G240-H242 VanDerWaalsContact C-N 3.26Å; G240-H242 PolarHBondContact O-N 2.92Å; G240-F243 WeakPolarHBondContact O-CB 3.25Å; G240-F243 WeakPolarHBondContact O-CD2 3.12Å; G240-F243 PolarHBondContact O-N 2.85Å | ||
| 241 | N | 80.6 | Confident | 84.6 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 31% | 0.305 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -63 | -30 | -172.5 | -76.4 | -14.9 | 0 | 0 | 0 | 113.6 | N210 S239 F243 R244 | N210-N241 WeakPolarHBondContact O-CB 3.43Å; N210-N241 PolarHBondContact O-ND2 3.26Å; N210-N241 VanDerWaalsContact O-ND2 3.11Å; S239-N241 PolarHBondContact O-N 3.27Å; S239-N241 PolarHBondContact OG-N 2.72Å; N241-F243 PolarHBondContact O-N 3.05Å; N241-R244 VanDerWaalsContact O-CB 3.27Å; N241-R244 WeakPolarHBondContact O-CB 3.42Å; N241-R244 WeakPolarHBondContact O-CG 3.49Å; N241-R244 PolarHBondContact O-N 3.16Å |
| 242 | H | 75.7 | Confident | 84.4 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 2% | 0.023 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -57.9 | -27.1 | 174.5 | 55.1 | -69.6 | 0 | 0 | 0 | 113.5 | M211 G240 R244 I245 V252 V254 | M211-H242 HydrophobicContact CE-CB 3.49Å; M211-H242 VanDerWaalsContact CE-CB 3.49Å; M211-H242 WeakPolarHBondContact CE-ND1 3.23Å; G240-H242 VanDerWaalsContact C-N 3.26Å; G240-H242 PolarHBondContact O-N 2.92Å; H242-R244 PolarHBondContact O-N 2.99Å; H242-I245 PolarHBondContact O-N 3.41Å; H242-V252 HydrophobicContact CB-CB 4.34Å; H242-V252 PolarHBondContact CD2-O 3.05Å; H242-V254 WeakPolarHBondContact CE1-CG2 3.47Å |
| 243 | F | 79.7 | Confident | 84.2 | Confident | 142 Ų | 142 | 66 Ų | 66 | 62% | 0.623 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -66.9 | -20.9 | 174.9 | -68.9 | -63.9 | 0 | 0 | 0 | 113.3 | G240 N241 I245 | G240-F243 WeakPolarHBondContact O-CB 3.25Å; G240-F243 WeakPolarHBondContact O-CD2 3.12Å; G240-F243 PolarHBondContact O-N 2.85Å; N241-F243 PolarHBondContact O-N 3.05Å; F243-I245 PolarHBondContact O-N 3.23Å |
| 244 | R | 84.2 | Confident | 84.1 | Confident | 199 Ų | 199 | 66.9 Ų | 66.9 | 75% | 0.751 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -72.7 | -14.1 | -180 | -58.7 | 175.8 | 64.5 | 107.6 | 1.1 | 112.5 | N241 H242 | N241-R244 VanDerWaalsContact O-CB 3.27Å; N241-R244 WeakPolarHBondContact O-CB 3.42Å; N241-R244 WeakPolarHBondContact O-CG 3.49Å; N241-R244 PolarHBondContact O-N 3.16Å; H242-R244 PolarHBondContact O-N 2.99Å |
| 245 | I | 84.5 | Confident | 84 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -112 | 104.8 | -178.4 | -55.1 | 165.8 | 0 | 0 | 0 | 107.8 | L206 N210 H242 F243 E247 L248 A249 | L206-I245 HydrophobicContact CD1-CD1 4.42Å; L206-I245 HydrophobicContact CD2-CD1 4.35Å; L206-I245 HydrophobicContact CD2-CG2 4Å; L206-I245 HydrophobicContact CG-CD1 4.06Å; N210-I245 HydrophobicContact CB-CD1 3.77Å; N210-I245 VanDerWaalsContact CG-CD1 3.49Å; H242-I245 PolarHBondContact O-N 3.41Å; F243-I245 PolarHBondContact O-N 3.23Å; I245-E247 HydrophobicContact CG2-CB 4.29Å; I245-E247 PolarHBondContact O-N 3.09Å; I245-E247 VanDerWaalsContact O-N 3.11Å; I245-L248 HydrophobicContact CB-CB 4.17Å; I245-L248 HydrophobicContact CB-CD1 4.45Å; I245-L248 HydrophobicContact CB-CG 4.39Å; I245-L248 HydrophobicContact CD1-CD1 3.8Å; I245-L248 HydrophobicContact CG2-CB 4.09Å; I245-L248 HydrophobicContact CG2-CD1 4.1Å; I245-L248 HydrophobicContact CG2-CG 3.86Å; I245-L248 PolarHBondContact O-N 3.26Å; I245-A249 PolarHBondContact O-N 3.12Å |
| 246 | P | 84.4 | Confident | 83.9 | Confident | 116 Ų | 116 | 62.9 Ų | 62.9 | 75% | 0.753 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -35.4 | -177.5 | -28.2 | 35.6 | 0 | 0 | 0 | 113.8 | L248 | P246-L248 PolarHBondContact O-N 3.22Š|
| 247 | E | 84.1 | Confident | 84 | Confident | 136 Ų | 136 | 65.7 Ų | 65.7 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -26.4 | -178.6 | -60.4 | 176.5 | -179.1 | 0 | 0 | 113.8 | R197 I245 | R197-E247 PolarHBondContact NH2-O 2.94Å; I245-E247 HydrophobicContact CG2-CB 4.29Å; I245-E247 PolarHBondContact O-N 3.09Å; I245-E247 VanDerWaalsContact O-N 3.11Å |
| 248 | L | 84.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -15.2 | -178.4 | -60.6 | -178.3 | 0 | 0 | 0 | 113 | L199 E203 L206 L207 I245 P246 Q250 A251 V252 | L199-L248 HydrophobicContact CD1-CD2 4.01Å; L199-L248 HydrophobicContact CD2-CD2 3.86Å; E203-L248 HydrophobicContact CB-CD2 4.42Å; L206-L248 HydrophobicContact CD2-CD1 4.17Å; L206-L248 HydrophobicContact CG-CD1 4.21Å; L207-L248 HydrophobicContact CB-CD1 3.96Å; L207-L248 HydrophobicContact CD1-CD1 4.26Å; I245-L248 HydrophobicContact CB-CB 4.17Å; I245-L248 HydrophobicContact CB-CD1 4.45Å; I245-L248 HydrophobicContact CB-CG 4.39Å; I245-L248 HydrophobicContact CD1-CD1 3.8Å; I245-L248 HydrophobicContact CG2-CB 4.09Å; I245-L248 HydrophobicContact CG2-CD1 4.1Å; I245-L248 HydrophobicContact CG2-CG 3.86Å; I245-L248 PolarHBondContact O-N 3.26Å; P246-L248 PolarHBondContact O-N 3.22Å; L248-Q250 PolarHBondContact O-N 3.43Å; L248-Q250 VanDerWaalsContact O-N 3.17Å; L248-A251 PolarHBondContact O-N 3.02Å; L248-V252 PolarHBondContact O-N 3.28Å |
| 249 | A | 82.9 | Confident | 85.2 | Confident | 28 Ų | 28 | 70.6 Ų | 70.6 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -35.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I245 | I245-A249 PolarHBondContact O-N 3.12Š|
| 250 | Q | 87.2 | Confident | 86.1 | Confident | 179 Ų | 179 | 72.5 Ų | 72.5 | 84% | 0.836 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -15.8 | 175.5 | -64.7 | -174 | -0.7 | 0 | 0 | 113.5 | L248 | L248-Q250 PolarHBondContact O-N 3.43Å; L248-Q250 VanDerWaalsContact O-N 3.17Å |
| 251 | A | 89.4 | Confident | 87 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 3% | 0.025 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -24.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H196 R197 L199 L248 | H196-A251 PolarHBondContact N-O 3.42Å; R197-A251 HydrophobicContact CG-CB 4Å; L199-A251 HydrophobicContact CD1-CB 4.38Å; L199-A251 HydrophobicContact CD2-CB 4.11Å; L248-A251 PolarHBondContact O-N 3.02Å |
| 252 | V | 90.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.5 | -174.3 | -173.3 | 0 | 0 | 0 | 0 | 110 | I193 K194 L195 L199 L207 M211 H242 L248 V254 | I193-V252 HydrophobicContact CG2-CG1 3.98Å; K194-V252 WeakPolarHBondContact O-CA 3.39Å; L195-V252 HydrophobicContact CD2-CB 4.41Å; L195-V252 HydrophobicContact CD2-CG1 4.14Å; L195-V252 HydrophobicContact CD2-CG2 3.74Å; L199-V252 HydrophobicContact CD1-CG2 4.29Å; L207-V252 HydrophobicContact CD1-CG2 3.84Å; L207-V252 HydrophobicContact CD2-CG2 4.02Å; M211-V252 HydrophobicContact CE-CG1 4.11Å; H242-V252 HydrophobicContact CB-CB 4.34Å; H242-V252 PolarHBondContact CD2-O 3.05Å; L248-V252 PolarHBondContact O-N 3.28Å; V252-V254 HydrophobicContact CG1-CG2 4.3Å |
| 253 | T | 89.4 | Confident | 88.4 | Confident | 50 Ų | 50 | 78.1 Ų | 78.1 | 31% | 0.307 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126 | 169.3 | -69.2 | 0 | 0 | 0 | 0 | 109.5 | I193 K194 H196 T255 | I193-T253 WeakPolarHBondContact CA-O 3.42Å; K194-T253 PolarHBondContact N-O 3.39Å; K194-T253 PolarHBondContact O-N 3.27Å; H196-T253 WeakPolarHBondContact NE2-CB 3.49Å; H196-T253 PolarHBondContact NE2-OG1 3.11Å; T253-T255 HydrophobicContact CG2-CG2 3.77Å |
| 254 | V | 90.2 | Very high | 89.2 | Confident | 33 Ų | 33 | 74 Ų | 74 | 20% | 0.2 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 107.9 | 173.3 | -175.8 | 0 | 0 | 0 | 0 | 108 | E192 I193 M211 E236 H242 V252 | E192-V254 CarbonylContact O-C 3.59Å; E192-V254 WeakPolarHBondContact O-CA 3.41Å; I193-V254 HydrophobicContact CG1-CG1 4.44Å; I193-V254 HydrophobicContact CG1-CG2 4.31Å; M211-V254 HydrophobicContact CE-CG2 4.41Å; E236-V254 HydrophobicContact CG-CG1 4.29Å; H242-V254 WeakPolarHBondContact CE1-CG2 3.47Å; V252-V254 HydrophobicContact CG1-CG2 4.3Å |
| 255 | T | 89.9 | Confident | 89.7 | Confident | 57 Ų | 57 | 66.5 Ų | 66.5 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -175.8 | 173.3 | 43.9 | 0 | 0 | 0 | 0 | 109.9 | P191 E192 T253 | P191-T255 CarbonylContact C-O 3.59Å; P191-T255 WeakPolarHBondContact CA-O 3.45Å; E192-T255 PolarHBondContact N-O 3.42Å; E192-T255 PolarHBondContact O-N 3.43Å; E192-T255 PolarHBondContact O-OG1 3.3Å; E192-T255 PolarHBondContact OE2-OG1 3.13Å; E192-T255 VanDerWaalsContact OE2-OG1 3.11Å; T253-T255 HydrophobicContact CG2-CG2 3.77Å |
| 256 | S | 90.8 | Very high | 90.3 | Very high | 41 Ų | 41 | 70.9 Ų | 70.9 | 29% | 0.287 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132.9 | 178.3 | -75 | 0 | 0 | 0 | 0 | 109.7 | M258 | S256-M258 PolarHBondContact O-N 2.93Å |
| 257 | H | 89.4 | Confident | 90.9 | Very high | 60 Ų | 60 | 66.3 Ų | 66.3 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 111.5 | 171.6 | -70.9 | -67.3 | 0 | 0 | 0 | 109.8 | F189 H190 E192 D259 H260 | F189-H257 WeakPolarHBondContact CB-O 3.33Å; F189-H257 VanDerWaalsContact CD1-O 3.24Å; F189-H257 WeakPolarHBondContact CD1-O 3.34Å; H190-H257 PolarHBondContact O-N 3.48Å; E192-H257 WeakPolarHBondContact CB-NE2 3.41Å; E192-H257 WeakPolarHBondContact CG-NE2 3.14Å; E192-H257 IonicContact OE1-CE1 3.95Å; E192-H257 PolarHBondContact OE1-CE1 3.2Å; E192-H257 VanDerWaalsContact OE1-CE1 3.3Å; E192-H257 IonicContact OE1-NE2 3.85Å; E192-H257 IonicContact OE2-CE1 2.97Å; H257-D259 PolarHBondContact O-N 3.11Å; H257-H260 HydrophobicContact CB-CB 3.78Å; H257-H260 PolarHBondContact O-N 2.83Å |
| 258 | M | 88.2 | Confident | 91.4 | Very high | 144 Ų | 144 | 62.4 Ų | 62.4 | 71% | 0.709 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -18.2 | -177.4 | -65.7 | -64.6 | -173.3 | 0 | 0 | 113.5 | F189 S256 | F189-M258 HydrophobicContact CD1-SD 4.41Å; F189-M258 HydrophobicContact CD2-SD 4.4Å; F189-M258 VanDerWaalsContact CE1-O 3.31Å; F189-M258 WeakPolarHBondContact CE1-O 3.41Å; F189-M258 HydrophobicContact CE1-SD 4.14Å; F189-M258 HydrophobicContact CE2-SD 4.15Å; F189-M258 HydrophobicContact CZ-SD 4.01Å; S256-M258 PolarHBondContact O-N 2.93Å |
| 259 | D | 93.7 | Very high | 91.8 | Very high | 142 Ų | 142 | 64 Ų | 64 | 76% | 0.759 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -7.4 | 179.5 | 61.8 | -23.1 | 0 | 0 | 0 | 113.7 | H257 | H257-D259 PolarHBondContact O-N 3.11Å |
| 260 | H | 94.1 | Very high | 92.2 | Very high | 84 Ų | 84 | 67.6 Ų | 67.6 | 39% | 0.389 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 101.4 | -179.6 | -170.3 | 162.5 | 0 | 0 | 0 | 110.3 | F189 H190 H257 | F189-H260 CarbonylContact C-O 3.48Å; F189-H260 WeakPolarHBondContact CA-O 3.36Å; H190-H260 HydrophobicContact CB-CB 3.77Å; H190-H260 AromaticContact CD2-CE1 3.23Å; H190-H260 PolarHBondContact CD2-CE1 2.89Å; H190-H260 AromaticContact CD2-ND1 3.72Å; H190-H260 AromaticContact CD2-NE2 3.43Å; H190-H260 PolarHBondContact CD2-NE2 3.23Å; H190-H260 AromaticContact CG-CE1 3.66Å; H190-H260 AromaticContact CG-CG 3.98Å; H190-H260 AromaticContact CG-ND1 3.65Å; H190-H260 AromaticContact CG-NE2 3.96Å; H190-H260 PolarHBondContact N-O 3.24Å; H190-H260 AromaticContact NE2-CE1 3.98Å; H257-H260 HydrophobicContact CB-CB 3.78Å; H257-H260 PolarHBondContact O-N 2.83Å |
| 261 | L | 92.9 | Very high | 92.4 | Very high | 78 Ų | 78 | 62 Ų | 62 | 41% | 0.408 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134.9 | -179.4 | -68.1 | 157.1 | 0 | 0 | 0 | 111.6 | Y187 F189 F263 | Y187-L261 HydrophobicContact CD2-CD2 3.37Å; Y187-L261 HydrophobicContact CE2-CD2 3.73Å; Y187-L261 HydrophobicContact CG-CD2 4.25Å; F189-L261 HydrophobicContact CD1-CD2 3.66Å; F189-L261 HydrophobicContact CD1-CG 4.33Å; F189-L261 HydrophobicContact CE1-CD2 3.47Å; F189-L261 VanDerWaalsContact CE1-CD2 3.47Å; F189-L261 HydrophobicContact CE1-CG 4.25Å; F189-L261 HydrophobicContact CG-CD2 4.48Å; F189-L261 HydrophobicContact CZ-CD2 4.15Å; L261-F263 HydrophobicContact CB-CD2 4.25Å; L261-F263 HydrophobicContact CB-CE2 3.9Å; L261-F263 HydrophobicContact CD1-CE2 4.36Å |
| 262 | I | 92.5 | Very high | 92.7 | Very high | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 110.1 | 172.2 | -57.1 | 171.7 | 0 | 0 | 0 | 108 | Y187 R188 H190 R234 | Y187-I262 CarbonylContact C-O 3.56Å; Y187-I262 WeakPolarHBondContact CA-O 3.31Å; R188-I262 HydrophobicContact CG-CB 4.14Å; R188-I262 PolarHBondContact N-O 3.34Å; R188-I262 PolarHBondContact O-N 2.6Å; H190-I262 HydrophobicContact CB-CD1 4.12Å; H190-I262 HydrophobicContact CB-CG1 4.32Å; R234-I262 HydrophobicContact CG-CD1 3.91Å; R234-I262 VanDerWaalsContact NH2-CG2 3.29Å |
| 263 | F | 95 | Very high | 93.1 | Very high | 121 Ų | 121 | 72.7 Ų | 72.7 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 139.8 | 172.5 | -79.2 | -97.1 | 0 | 0 | 0 | 111.5 | Y187 L261 | Y187-F263 HydrophobicContact CD1-CE1 4.06Å; Y187-F263 HydrophobicContact CD1-CZ 4.19Å; Y187-F263 HydrophobicContact CG-CE1 4.23Å; Y187-F263 HydrophobicContact CG-CZ 4.15Å; L261-F263 HydrophobicContact CB-CD2 4.25Å; L261-F263 HydrophobicContact CB-CE2 3.9Å; L261-F263 HydrophobicContact CD1-CE2 4.36Å |
| 264 | T | 95.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 74 Ų | 74 | 34% | 0.344 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.1 | 165.7 | -56.8 | 0 | 0 | 0 | 0 | 107.4 | C185 F186 | C185-T264 WeakPolarHBondContact CA-O 3.22Å; F186-T264 HydrophobicContact CE1-CG2 3.87Å; F186-T264 HydrophobicContact CE2-CG2 4.5Å; F186-T264 HydrophobicContact CZ-CG2 3.75Å; F186-T264 PolarHBondContact N-O 2.99Å; F186-T264 VanDerWaalsContact N-O 3.11Å; F186-T264 PolarHBondContact O-N 2.97Å |
| 265 | V | 95.8 | Very high | 93.7 | Very high | 40 Ų | 40 | 78 Ų | 78 | 24% | 0.242 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 123.7 | -178.6 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | V182 A184 V273 | V182-V265 HydrophobicContact CG1-CG1 3.74Å; A184-V265 CarbonylContact O-C 3.49Å; A184-V265 WeakPolarHBondContact O-CA 3.34Å; V265-V273 HydrophobicContact CB-CG1 4.18Å; V265-V273 HydrophobicContact CG1-CG1 4.07Å |
| 266 | E | 96.4 | Very high | 94 | Very high | 113 Ų | 113 | 76.1 Ų | 76.1 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.9 | 178.2 | -174.4 | 178.2 | -176.1 | 0 | 0 | 109.5 | V182 A183 A184 | V182-E266 CarbonylContact C-O 3.55Å; V182-E266 WeakPolarHBondContact CA-O 3.43Å; V182-E266 WeakPolarHBondContact CB-O 3.23Å; A183-E266 HydrophobicContact CB-CG 4.36Å; A183-E266 PolarHBondContact N-O 3.37Å; A184-E266 HydrophobicContact CB-CB 4.09Å; A184-E266 PolarHBondContact O-N 3.45Å |
| 267 | S | 96.5 | Very high | 94.3 | Very high | 19 Ų | 19 | 77.7 Ų | 77.7 | 13% | 0.133 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 147.7 | 177.5 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | P181 G269 M271 I276 | P181-S267 PolarHBondContact O-OG 3.1Å; S267-G269 PolarHBondContact O-N 2.99Å; S267-G269 PolarHBondContact OG-N 3.21Å; S267-M271 WeakPolarHBondContact CB-O 3.35Å; S267-M271 PolarHBondContact OG-O 3.36Å; S267-I276 WeakPolarHBondContact OG-CD1 3.49Å |
| 268 | V | 94.6 | Very high | 94.7 | Very high | 55 Ų | 55 | 77.4 Ų | 77.4 | 33% | 0.333 | 41% | 0.414 | S | S | . | . | trans | -73.2 | 2 | 166.9 | -55.4 | 0 | 0 | 0 | 0 | 113.8 | Y148 P181 A183 Q270 | Y148-V268 WeakPolarHBondContact CE2-O 2.79Å; P181-V268 PolarHBondContact O-N 2.96Å; A183-V268 HydrophobicContact CB-CG1 3.96Å; V268-Q270 HydrophobicContact CG2-CB 4.47Å; V268-Q270 HydrophobicContact CG2-CG 3.77Å | ||
| 269 | G | 92.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 75.1 Ų | 75.1 | 34% | 0.34 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 98.2 | -17 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S267 M271 | S267-G269 PolarHBondContact O-N 2.99Å; S267-G269 PolarHBondContact OG-N 3.21Å; G269-M271 PolarHBondContact O-N 2.87Å |
| 270 | Q | 91.1 | Very high | 95.2 | Very high | 104 Ų | 104 | 71 Ų | 71 | 49% | 0.486 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -64 | -28.1 | 178.4 | 64 | -175.7 | -52.3 | 0 | 0 | 113.6 | S180 V268 | S180-Q270 PolarHBondContact O-NE2 3.26Å; V268-Q270 HydrophobicContact CG2-CB 4.47Å; V268-Q270 HydrophobicContact CG2-CG 3.77Å |
| 271 | M | 92.8 | Very high | 95.4 | Very high | 61 Ų | 61 | 73.3 Ų | 73.3 | 30% | 0.3 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -141.9 | 151.6 | 178.3 | -69.4 | 174.5 | 65.8 | 0 | 0 | 110.1 | S267 G269 K275 I276 E279 | S267-M271 WeakPolarHBondContact CB-O 3.35Å; S267-M271 PolarHBondContact OG-O 3.36Å; G269-M271 PolarHBondContact O-N 2.87Å; M271-K275 HydrophobicContact CE-CB 4.17Å; M271-K275 HydrophobicContact CE-CD 3.53Å; M271-K275 HydrophobicContact CE-CG 3.56Å; M271-I276 HydrophobicContact CB-CD1 4.19Å; M271-I276 HydrophobicContact CB-CG1 3.85Å; M271-E279 HydrophobicContact CE-CG 4.15Å |
| 272 | K | 95.7 | Very high | 95.6 | Very high | 179 Ų | 179 | 74.9 Ų | 74.9 | 78% | 0.778 | 40% | 0.402 | S | S | * | . | trans | -66.7 | 141.1 | 171.2 | -65.6 | -173.8 | 177.5 | -175.5 | 0 | 109.9 | A274 K275 I276 | K272-A274 VanDerWaalsContact C-N 3.28Å; K272-A274 PolarHBondContact O-N 3.01Å; K272-K275 WeakPolarHBondContact O-CA 3.42Å; K272-K275 WeakPolarHBondContact O-CB 3.49Å; K272-K275 PolarHBondContact O-N 3.24Å; K272-I276 PolarHBondContact O-N 3.11Å; K272-I276 VanDerWaalsContact O-N 3.16Å | ||
| 273 | V | 96.9 | Very high | 95.9 | Very high | 52 Ų | 52 | 78.3 Ų | 78.3 | 32% | 0.315 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -51.5 | -45.2 | -179.6 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | V265 K275 I276 I277 | V265-V273 HydrophobicContact CB-CG1 4.18Å; V265-V273 HydrophobicContact CG1-CG1 4.07Å; V273-K275 PolarHBondContact O-N 3.1Å; V273-I276 WeakPolarHBondContact O-CB 3.44Å; V273-I276 PolarHBondContact O-N 3Å; V273-I277 HydrophobicContact CG1-CD1 3.91Å; V273-I277 HydrophobicContact CG1-CG1 4.4Å; V273-I277 WeakPolarHBondContact O-CG1 3.37Å; V273-I277 PolarHBondContact O-N 3.1Å |
| 274 | A | 96.7 | Very high | 96 | Very high | 78 Ų | 78 | 77.8 Ų | 77.8 | 65% | 0.645 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57.2 | -37.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K272 A278 | K272-A274 VanDerWaalsContact C-N 3.28Å; K272-A274 PolarHBondContact O-N 3.01Å; A274-A278 PolarHBondContact O-N 2.89Å; A274-A278 VanDerWaalsContact O-N 3.09Å |
| 275 | K | 96.4 | Very high | 96.1 | Very high | 116 Ų | 116 | 80.9 Ų | 80.9 | 50% | 0.504 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.4 | -41 | 176.3 | -169.8 | 175.8 | 176.1 | -175.9 | 0 | 111.1 | M271 K272 V273 I277 A278 E279 | M271-K275 HydrophobicContact CE-CB 4.17Å; M271-K275 HydrophobicContact CE-CD 3.53Å; M271-K275 HydrophobicContact CE-CG 3.56Å; K272-K275 WeakPolarHBondContact O-CA 3.42Å; K272-K275 WeakPolarHBondContact O-CB 3.49Å; K272-K275 PolarHBondContact O-N 3.24Å; V273-K275 PolarHBondContact O-N 3.1Å; K275-I277 VanDerWaalsContact C-N 3.29Å; K275-I277 PolarHBondContact O-N 3Å; K275-A278 PolarHBondContact O-N 3.46Å; K275-E279 WeakPolarHBondContact CE-OE1 3.45Å; K275-E279 HydrophobicContact CG-CG 4.34Å; K275-E279 VanDerWaalsContact O-CG 3.23Å; K275-E279 WeakPolarHBondContact O-CG 3.37Å; K275-E279 PolarHBondContact O-N 3.15Å |
| 276 | I | 97.1 | Very high | 96.1 | Very high | 18 Ų | 18 | 83 Ų | 83 | 9% | 0.092 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 176.2 | -62.2 | 168.3 | 0 | 0 | 0 | 110.5 | P181 V182 S267 M271 K272 V273 E279 A280 | P181-I276 HydrophobicContact CB-CD1 3.88Å; P181-I276 HydrophobicContact CB-CG1 4.08Å; P181-I276 HydrophobicContact CB-CG2 4.35Å; P181-I276 HydrophobicContact CG-CG2 4.08Å; P181-I276 WeakPolarHBondContact O-CD1 3.37Å; V182-I276 HydrophobicContact CG1-CD1 4.26Å; V182-I276 HydrophobicContact CG1-CG2 3.97Å; S267-I276 WeakPolarHBondContact OG-CD1 3.49Å; M271-I276 HydrophobicContact CB-CD1 4.19Å; M271-I276 HydrophobicContact CB-CG1 3.85Å; K272-I276 PolarHBondContact O-N 3.11Å; K272-I276 VanDerWaalsContact O-N 3.16Å; V273-I276 WeakPolarHBondContact O-CB 3.44Å; V273-I276 PolarHBondContact O-N 3Å; I276-E279 PolarHBondContact O-N 3.03Å; I276-A280 WeakPolarHBondContact O-CB 3.22Å; I276-A280 PolarHBondContact O-N 3.41Å |
| 277 | I | 96.5 | Very high | 96.2 | Very high | 73 Ų | 73 | 84.5 Ų | 84.5 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 178.2 | -65.7 | 170.1 | 0 | 0 | 0 | 111 | V273 K275 A280 F281 | V273-I277 HydrophobicContact CG1-CD1 3.91Å; V273-I277 HydrophobicContact CG1-CG1 4.4Å; V273-I277 WeakPolarHBondContact O-CG1 3.37Å; V273-I277 PolarHBondContact O-N 3.1Å; K275-I277 VanDerWaalsContact C-N 3.29Å; K275-I277 PolarHBondContact O-N 3Å; I277-A280 WeakPolarHBondContact O-CB 2.93Å; I277-A280 PolarHBondContact O-N 3.14Å; I277-F281 HydrophobicContact CG2-CD2 3.88Å; I277-F281 HydrophobicContact CG2-CE2 3.69Å; I277-F281 WeakPolarHBondContact O-CD2 3.43Å; I277-F281 PolarHBondContact O-N 2.93Å; I277-F281 VanDerWaalsContact O-N 3.12Å |
| 278 | A | 97.3 | Very high | 96.2 | Very high | 54 Ų | 54 | 86.7 Ų | 86.7 | 45% | 0.446 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.5 | -48 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | A274 K275 A280 F281 E282 | A274-A278 PolarHBondContact O-N 2.89Å; A274-A278 VanDerWaalsContact O-N 3.09Å; K275-A278 PolarHBondContact O-N 3.46Å; A278-A280 VanDerWaalsContact C-N 3.27Å; A278-A280 PolarHBondContact O-N 3.25Å; A278-F281 PolarHBondContact O-N 2.92Å; A278-E282 PolarHBondContact O-N 3.4Å; A278-E282 VanDerWaalsContact O-N 3.1Å |
| 279 | E | 96.7 | Very high | 96.3 | Very high | 97 Ų | 97 | 87.4 Ų | 87.4 | 45% | 0.453 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63 | -34.4 | 177.2 | -61.1 | -74.3 | 171.8 | 0 | 0 | 111.9 | M271 K275 I276 E282 V283 | M271-E279 HydrophobicContact CE-CG 4.15Å; K275-E279 WeakPolarHBondContact CE-OE1 3.45Å; K275-E279 HydrophobicContact CG-CG 4.34Å; K275-E279 VanDerWaalsContact O-CG 3.23Å; K275-E279 WeakPolarHBondContact O-CG 3.37Å; K275-E279 PolarHBondContact O-N 3.15Å; I276-E279 PolarHBondContact O-N 3.03Å; E279-E282 PolarHBondContact O-N 2.98Å; E279-V283 WeakPolarHBondContact O-CG2 3.49Å; E279-V283 PolarHBondContact O-N 3.28Å |
| 280 | A | 97 | Very high | 96.5 | Very high | 56 Ų | 56 | 89.9 Ų | 89.9 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I276 I277 A278 V283 M284 | I276-A280 WeakPolarHBondContact O-CB 3.22Å; I276-A280 PolarHBondContact O-N 3.41Å; I277-A280 WeakPolarHBondContact O-CB 2.93Å; I277-A280 PolarHBondContact O-N 3.14Å; A278-A280 VanDerWaalsContact C-N 3.27Å; A278-A280 PolarHBondContact O-N 3.25Å; A280-V283 PolarHBondContact O-N 2.71Å; A280-M284 WeakPolarHBondContact O-CB 2.82Å; A280-M284 PolarHBondContact O-N 3.21Å |
| 281 | F | 97.4 | Very high | 96.7 | Very high | 131 Ų | 131 | 90 Ų | 90 | 58% | 0.575 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.7 | -36.5 | 175.1 | -80 | -65.8 | 0 | 0 | 0 | 112.6 | I277 A278 M284 K285 | I277-F281 HydrophobicContact CG2-CD2 3.88Å; I277-F281 HydrophobicContact CG2-CE2 3.69Å; I277-F281 WeakPolarHBondContact O-CD2 3.43Å; I277-F281 PolarHBondContact O-N 2.93Å; I277-F281 VanDerWaalsContact O-N 3.12Å; A278-F281 PolarHBondContact O-N 2.92Å; F281-M284 HydrophobicContact CD1-SD 4.33Å; F281-M284 HydrophobicContact CE1-SD 4.49Å; F281-M284 WeakPolarHBondContact O-CB 3.34Å; F281-M284 PolarHBondContact O-N 3.06Å; F281-K285 WeakPolarHBondContact O-CB 3.3Å; F281-K285 PolarHBondContact O-N 3.2Å |
| 282 | E | 97.7 | Very high | 96.8 | Very high | 112 Ų | 112 | 91.6 Ų | 91.6 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 173 | -69.7 | -58 | 146.4 | 0 | 0 | 111.5 | A278 E279 M284 K285 T286 | A278-E282 PolarHBondContact O-N 3.4Å; A278-E282 VanDerWaalsContact O-N 3.1Å; E279-E282 PolarHBondContact O-N 2.98Å; E282-M284 VanDerWaalsContact C-N 3.31Å; E282-M284 PolarHBondContact O-N 2.93Å; E282-K285 PolarHBondContact O-N 3.15Å; E282-T286 PolarHBondContact O-N 3.4Å; E282-T286 PolarHBondContact O-OG1 2.91Å |
| 283 | V | 97.5 | Very high | 96.8 | Very high | 77 Ų | 77 | 89.6 Ų | 89.6 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 174.6 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | E279 A280 K287 | E279-V283 WeakPolarHBondContact O-CG2 3.49Å; E279-V283 PolarHBondContact O-N 3.28Å; A280-V283 PolarHBondContact O-N 2.71Å; V283-K287 HydrophobicContact CG1-CD 4.46Å; V283-K287 WeakPolarHBondContact O-CG 3.36Å; V283-K287 PolarHBondContact O-N 3.26Å; V283-K287 VanDerWaalsContact O-N 3.15Å |
| 284 | M | 97.7 | Very high | 96.6 | Very high | 110 Ų | 110 | 90 Ų | 90 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.4 | -176.4 | 178.5 | -70.2 | 0 | 0 | 111.2 | A280 F281 E282 K287 C288 | A280-M284 WeakPolarHBondContact O-CB 2.82Å; A280-M284 PolarHBondContact O-N 3.21Å; F281-M284 HydrophobicContact CD1-SD 4.33Å; F281-M284 HydrophobicContact CE1-SD 4.49Å; F281-M284 WeakPolarHBondContact O-CB 3.34Å; F281-M284 PolarHBondContact O-N 3.06Å; E282-M284 VanDerWaalsContact C-N 3.31Å; E282-M284 PolarHBondContact O-N 2.93Å; M284-K287 WeakPolarHBondContact O-CB 3.43Å; M284-K287 PolarHBondContact O-N 3.17Å; M284-C288 PolarHBondContact O-N 3.43Å; M284-C288 PolarHBondContact O-SG 3.46Å; M284-C288 VanDerWaalsContact O-SG 3.4Å |
| 285 | K | 96.9 | Very high | 96.5 | Very high | 121 Ų | 121 | 90.9 Ų | 90.9 | 53% | 0.526 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58 | -50.5 | 177.1 | -179 | -177.8 | 173.3 | -171.6 | 0 | 111.5 | F281 E282 K287 C288 D289 | F281-K285 WeakPolarHBondContact O-CB 3.3Å; F281-K285 PolarHBondContact O-N 3.2Å; E282-K285 PolarHBondContact O-N 3.15Å; K285-K287 VanDerWaalsContact C-N 3.25Å; K285-K287 PolarHBondContact O-N 3Å; K285-C288 WeakPolarHBondContact O-CB 3.48Å; K285-C288 PolarHBondContact O-N 3.02Å; K285-D289 PolarHBondContact O-N 3.39Å |
| 286 | T | 97.5 | Very high | 96.4 | Very high | 83 Ų | 83 | 90.9 Ų | 90.9 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.6 | -40.3 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | E282 D289 T290 | E282-T286 PolarHBondContact O-N 3.4Å; E282-T286 PolarHBondContact O-OG1 2.91Å; T286-D289 PolarHBondContact O-N 3.33Å; T286-T290 PolarHBondContact O-N 2.97Å; T286-T290 PolarHBondContact O-OG1 3.19Å |
| 287 | K | 97.1 | Very high | 96 | Very high | 146 Ų | 146 | 99 Ų | 99 | 64% | 0.635 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 176.6 | -73.3 | 178.6 | 178.4 | -175.5 | 0 | 112.7 | V283 M284 K285 L291 | V283-K287 HydrophobicContact CG1-CD 4.46Å; V283-K287 WeakPolarHBondContact O-CG 3.36Å; V283-K287 PolarHBondContact O-N 3.26Å; V283-K287 VanDerWaalsContact O-N 3.15Å; M284-K287 WeakPolarHBondContact O-CB 3.43Å; M284-K287 PolarHBondContact O-N 3.17Å; K285-K287 VanDerWaalsContact C-N 3.25Å; K285-K287 PolarHBondContact O-N 3Å; K287-L291 WeakPolarHBondContact O-CB 3.32Å; K287-L291 PolarHBondContact O-N 2.96Å |
| 288 | C | 97.6 | Very high | 95.2 | Very high | 64 Ų | 64 | 99.7 Ų | 99.7 | 43% | 0.432 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.6 | -69.9 | 0 | 0 | 0 | 0 | 111.3 | M284 K285 L291 L292 | M284-C288 PolarHBondContact O-N 3.43Å; M284-C288 PolarHBondContact O-SG 3.46Å; M284-C288 VanDerWaalsContact O-SG 3.4Å; K285-C288 WeakPolarHBondContact O-CB 3.48Å; K285-C288 PolarHBondContact O-N 3.02Å; C288-L291 WeakPolarHBondContact O-CB 3.25Å; C288-L291 PolarHBondContact O-N 3.19Å; C288-L292 WeakPolarHBondContact O-CG 3.31Å; C288-L292 PolarHBondContact O-N 2.9Å |
| 289 | D | 96.7 | Very high | 94.1 | Very high | 71 Ų | 71 | 105 Ų | 105 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.4 | -47 | 177.5 | -64.5 | -26.5 | 0 | 0 | 0 | 110.9 | K285 T286 L291 L292 E293 | K285-D289 PolarHBondContact O-N 3.39Å; T286-D289 PolarHBondContact O-N 3.33Å; D289-L291 VanDerWaalsContact C-N 3.29Å; D289-L291 PolarHBondContact O-N 2.97Å; D289-L292 PolarHBondContact O-N 3.12Å; D289-E293 WeakPolarHBondContact O-CG 3.25Å; D289-E293 PolarHBondContact O-N 3.33Å |
| 290 | T | 96.1 | Very high | 94 | Very high | 84 Ų | 84 | 105.4 Ų | 105.4 | 52% | 0.515 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.3 | -38.8 | 174.7 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | T286 A294 | T286-T290 PolarHBondContact O-N 2.97Å; T286-T290 PolarHBondContact O-OG1 3.19Å; T290-A294 WeakPolarHBondContact O-CB 3.45Å; T290-A294 PolarHBondContact O-N 3.02Å; T290-A294 VanDerWaalsContact O-N 3.11Å |
| 291 | L | 95.5 | Very high | 93.8 | Very high | 106 Ų | 106 | 108 Ų | 108 | 56% | 0.555 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.1 | -42.6 | 177 | 179 | 63.2 | 0 | 0 | 0 | 111.7 | K287 C288 D289 A294 L295 | K287-L291 WeakPolarHBondContact O-CB 3.32Å; K287-L291 PolarHBondContact O-N 2.96Å; C288-L291 WeakPolarHBondContact O-CB 3.25Å; C288-L291 PolarHBondContact O-N 3.19Å; D289-L291 VanDerWaalsContact C-N 3.29Å; D289-L291 PolarHBondContact O-N 2.97Å; L291-A294 PolarHBondContact O-N 3.32Å; L291-L295 HydrophobicContact CD1-CD1 4.41Å; L291-L295 HydrophobicContact CD1-CG 4.43Å; L291-L295 HydrophobicContact CG-CD1 4.13Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 3.32Å |
| 292 | L | 95.5 | Very high | 93.6 | Very high | 96 Ų | 96 | 106.7 Ų | 106.7 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.3 | -42.8 | 177.8 | -73.4 | 170.3 | 0 | 0 | 0 | 111.7 | C288 D289 A294 L295 N296 | C288-L292 WeakPolarHBondContact O-CG 3.31Å; C288-L292 PolarHBondContact O-N 2.9Å; D289-L292 PolarHBondContact O-N 3.12Å; L292-A294 VanDerWaalsContact C-N 3.34Å; L292-A294 PolarHBondContact O-N 3.4Å; L292-L295 PolarHBondContact O-N 2.94Å; L292-N296 WeakPolarHBondContact O-CB 3.47Å; L292-N296 VanDerWaalsContact O-CG 3.28Å; L292-N296 PolarHBondContact O-N 3.44Å; L292-N296 PolarHBondContact O-ND2 3.34Å |
| 293 | E | 95.1 | Very high | 93.4 | Very high | 137 Ų | 137 | 106.4 Ų | 106.4 | 64% | 0.64 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.9 | -44.4 | 174.5 | -72.6 | 174.8 | -178.7 | 0 | 0 | 111.7 | D289 L295 N296 F297 | D289-E293 WeakPolarHBondContact O-CG 3.25Å; D289-E293 PolarHBondContact O-N 3.33Å; E293-L295 VanDerWaalsContact C-N 3.35Å; E293-L295 PolarHBondContact O-N 3.11Å; E293-N296 PolarHBondContact O-N 3.09Å; E293-F297 PolarHBondContact O-N 3.48Å; E293-F297 VanDerWaalsContact O-N 3.11Å |
| 294 | A | 93.8 | Very high | 93.2 | Very high | 59 Ų | 59 | 108.3 Ų | 108.3 | 49% | 0.488 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.7 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T290 L291 L292 A298 | T290-A294 WeakPolarHBondContact O-CB 3.45Å; T290-A294 PolarHBondContact O-N 3.02Å; T290-A294 VanDerWaalsContact O-N 3.11Å; L291-A294 PolarHBondContact O-N 3.32Å; L292-A294 VanDerWaalsContact C-N 3.34Å; L292-A294 PolarHBondContact O-N 3.4Å; A294-A298 PolarHBondContact O-N 3.3Å |
| 295 | L | 94.7 | Very high | 92.8 | Very high | 98 Ų | 98 | 108.1 Ų | 108.1 | 51% | 0.513 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.2 | -43.5 | 176.1 | -73.1 | 169.9 | 0 | 0 | 0 | 111.7 | L291 L292 E293 F297 A298 T299 | L291-L295 HydrophobicContact CD1-CD1 4.41Å; L291-L295 HydrophobicContact CD1-CG 4.43Å; L291-L295 HydrophobicContact CG-CD1 4.13Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 3.32Å; L292-L295 PolarHBondContact O-N 2.94Å; E293-L295 VanDerWaalsContact C-N 3.35Å; E293-L295 PolarHBondContact O-N 3.11Å; L295-F297 PolarHBondContact O-N 3.49Å; L295-A298 PolarHBondContact O-N 3.42Å; L295-A298 VanDerWaalsContact O-N 3.09Å; L295-T299 PolarHBondContact O-N 3.34Å; L295-T299 PolarHBondContact O-OG1 3.11Å |
| 296 | N | 93.2 | Very high | 92.6 | Very high | 115 Ų | 115 | 107.2 Ų | 107.2 | 62% | 0.615 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65 | -27.7 | 178.1 | -72.4 | -24.6 | 0 | 0 | 0 | 112.8 | L292 E293 T299 | L292-N296 WeakPolarHBondContact O-CB 3.47Å; L292-N296 VanDerWaalsContact O-CG 3.28Å; L292-N296 PolarHBondContact O-N 3.44Å; L292-N296 PolarHBondContact O-ND2 3.34Å; E293-N296 PolarHBondContact O-N 3.09Å; N296-T299 PolarHBondContact O-OG1 3.42Å |
| 297 | F | 88.7 | Confident | 92.2 | Very high | 189 Ų | 189 | 109.1 Ų | 109.1 | 83% | 0.829 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.4 | -25.3 | 174.1 | -178.2 | -95.9 | 0 | 0 | 0 | 113.1 | E293 L295 | E293-F297 PolarHBondContact O-N 3.48Å; E293-F297 VanDerWaalsContact O-N 3.11Å; L295-F297 PolarHBondContact O-N 3.49Å |
| 298 | A | 80.5 | Confident | 91.8 | Very high | 87 Ų | 87 | 106 Ų | 106 | 72% | 0.719 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -87 | -18.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A294 L295 | A294-A298 PolarHBondContact O-N 3.3Å; L295-A298 PolarHBondContact O-N 3.42Å; L295-A298 VanDerWaalsContact O-N 3.09Å |
| 299 | T | 73.9 | Confident | 91.2 | Very high | 166 Ų | 166 | 109.8 Ų | 109.8 | 100% | 1.018 | 62% | 0.616 | S | S | * | * | trans | -93.5 | 0 | 172.8 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | L295 N296 | L295-T299 PolarHBondContact O-N 3.34Å; L295-T299 PolarHBondContact O-OG1 3.11Å; N296-T299 PolarHBondContact O-OG1 3.42Å |
Retrieved 299 of 299 residues in 224.9 ms
(Link to these results)