| 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 | 42 | Very low | 40.8 | Very low | 229 Ų | 229 | 124.5 Ų | 124.5 | 100% | 1.128 | 60% | 0.596 | S | S | * | * | 0 | 110.5 | 0 | -148 | 158.8 | 71.8 | 0 | 0 | 106.6 | L3 | M1-L3 PolarHBondContact O-N 3.48Š| |||
| 2 | N | 38.6 | Very low | 41.2 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 60% | 0.599 | 58% | 0.576 | S | S | * | * | trans | -66.6 | 125.3 | -165.8 | -102.2 | -37.5 | 0 | 0 | 0 | 111.4 | K4 I5 F6 | N2-K4 PolarHBondContact O-N 3.38Å; N2-I5 HydrophobicContact CB-CB 4.46Å; N2-I5 HydrophobicContact CB-CD1 3.92Å; N2-I5 HydrophobicContact CB-CG1 3.93Å; N2-I5 WeakPolarHBondContact O-CB 3.37Å; N2-I5 PolarHBondContact O-N 3.28Å; N2-F6 PolarHBondContact O-N 3.12Å | ||
| 3 | L | 34.3 | Very low | 41.1 | Very low | 134 Ų | 134 | 118.7 Ų | 118.7 | 70% | 0.702 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -52.7 | -29.6 | 175.7 | -164.5 | 71.7 | 0 | 0 | 0 | 112.2 | M1 F6 L7 | M1-L3 PolarHBondContact O-N 3.48Å; L3-F6 PolarHBondContact O-N 3Å; L3-L7 WeakPolarHBondContact O-CG 3.12Å; L3-L7 PolarHBondContact O-N 3.09Å; L3-L7 VanDerWaalsContact O-N 3.07Å |
| 4 | K | 36.9 | Very low | 41.2 | Very low | 172 Ų | 172 | 122.8 Ų | 122.8 | 75% | 0.748 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.2 | -34.9 | 173.4 | -68.2 | -177.3 | 175.4 | -176.2 | 0 | 114.2 | N2 L8 | N2-K4 PolarHBondContact O-N 3.38Å; K4-L8 WeakPolarHBondContact O-CB 3.44Å; K4-L8 PolarHBondContact O-N 3.27Å; K4-L8 VanDerWaalsContact O-N 3.15Å |
| 5 | I | 39.7 | Very low | 41.2 | Very low | 100 Ų | 100 | 117.6 Ų | 117.6 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.5 | -36.8 | 177.4 | -63.8 | 174.9 | 0 | 0 | 0 | 109.8 | N2 L8 W9 | N2-I5 HydrophobicContact CB-CB 4.46Å; N2-I5 HydrophobicContact CB-CD1 3.92Å; N2-I5 HydrophobicContact CB-CG1 3.93Å; N2-I5 WeakPolarHBondContact O-CB 3.37Å; N2-I5 PolarHBondContact O-N 3.28Å; I5-L8 PolarHBondContact O-N 2.86Å; I5-W9 WeakPolarHBondContact O-CB 3.24Å; I5-W9 PolarHBondContact O-N 2.66Å |
| 6 | F | 37.6 | Very low | 40.9 | Very low | 135 Ų | 135 | 115.6 Ų | 115.6 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.5 | -44 | 176.3 | -162.1 | -99.3 | 0 | 0 | 0 | 111.5 | N2 L3 L8 W9 T10 | N2-F6 PolarHBondContact O-N 3.12Å; L3-F6 PolarHBondContact O-N 3Å; F6-L8 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 3.13Å; F6-W9 PolarHBondContact O-N 3.29Å; F6-T10 HydrophobicContact CD1-CG2 4.31Å; F6-T10 HydrophobicContact CE1-CG2 4.15Å; F6-T10 PolarHBondContact O-N 3.02Å; F6-T10 PolarHBondContact O-OG1 3.2Å |
| 7 | L | 44.5 | Very low | 40.5 | Very low | 95 Ų | 95 | 112.9 Ų | 112.9 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.7 | -35.8 | 176 | -73.2 | 165.4 | 0 | 0 | 0 | 113.1 | L3 T10 F11 | L3-L7 WeakPolarHBondContact O-CG 3.12Å; L3-L7 PolarHBondContact O-N 3.09Å; L3-L7 VanDerWaalsContact O-N 3.07Å; L7-T10 VanDerWaalsContact C-OG1 3.31Å; L7-T10 VanDerWaalsContact CA-OG1 3.24Å; L7-T10 WeakPolarHBondContact CA-OG1 3.4Å; L7-T10 PolarHBondContact O-OG1 2.73Å; L7-F11 WeakPolarHBondContact O-CB 2.95Å; L7-F11 PolarHBondContact O-N 2.83Å |
| 8 | L | 44.2 | Very low | 40.3 | Very low | 68 Ų | 68 | 110.7 Ų | 110.7 | 36% | 0.356 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.4 | -39.6 | 174.3 | -165.6 | 73.8 | 0 | 0 | 0 | 111.6 | K4 I5 F6 F11 L12 F260 | K4-L8 WeakPolarHBondContact O-CB 3.44Å; K4-L8 PolarHBondContact O-N 3.27Å; K4-L8 VanDerWaalsContact O-N 3.15Å; I5-L8 PolarHBondContact O-N 2.86Å; F6-L8 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 3.13Å; L8-F11 PolarHBondContact O-N 3.22Å; L8-L12 HydrophobicContact CG-CD1 4.1Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 WeakPolarHBondContact O-CD1 3.27Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.47Å; L8-L12 PolarHBondContact O-N 2.98Å; L8-F260 HydrophobicContact CD1-CD1 4.42Å |
| 9 | W | 38 | Very low | 40.3 | Very low | 160 Ų | 160 | 111.8 Ų | 111.8 | 61% | 0.606 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.4 | -41 | 176 | -127.3 | 74.5 | 0 | 0 | 0 | 111.7 | I5 F6 L12 Q13 | I5-W9 WeakPolarHBondContact O-CB 3.24Å; I5-W9 PolarHBondContact O-N 2.66Å; F6-W9 PolarHBondContact O-N 3.29Å; W9-L12 PolarHBondContact O-N 2.89Å; W9-Q13 HydrophobicContact CE3-CG 4.06Å; W9-Q13 VanDerWaalsContact CZ3-CD 3.46Å; W9-Q13 HydrophobicContact CZ3-CG 4.21Å; W9-Q13 WeakPolarHBondContact O-CB 3.42Å; W9-Q13 WeakPolarHBondContact O-CG 3.15Å; W9-Q13 PolarHBondContact O-N 3.08Å |
| 10 | T | 44.2 | Very low | 39.8 | Very low | 55 Ų | 55 | 109.5 Ų | 109.5 | 34% | 0.337 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.1 | -39.3 | 173.8 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | F6 L7 Q13 Y14 | F6-T10 HydrophobicContact CD1-CG2 4.31Å; F6-T10 HydrophobicContact CE1-CG2 4.15Å; F6-T10 PolarHBondContact O-N 3.02Å; F6-T10 PolarHBondContact O-OG1 3.2Å; L7-T10 VanDerWaalsContact C-OG1 3.31Å; L7-T10 VanDerWaalsContact CA-OG1 3.24Å; L7-T10 WeakPolarHBondContact CA-OG1 3.4Å; L7-T10 PolarHBondContact O-OG1 2.73Å; T10-Q13 PolarHBondContact O-N 2.74Å; T10-Y14 WeakPolarHBondContact O-CB 3.17Å; T10-Y14 PolarHBondContact O-N 2.77Å |
| 11 | F | 49.4 | Very low | 39.2 | Very low | 109 Ų | 109 | 112.1 Ų | 112.1 | 48% | 0.478 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62 | -46.5 | 174.6 | -178.3 | -98.4 | 0 | 0 | 0 | 111.5 | L7 L8 Y14 V15 | L7-F11 WeakPolarHBondContact O-CB 2.95Å; L7-F11 PolarHBondContact O-N 2.83Å; L8-F11 PolarHBondContact O-N 3.22Å; F11-Y14 PolarHBondContact O-N 3.27Å; F11-V15 HydrophobicContact CD1-CG2 4.39Å; F11-V15 HydrophobicContact CE1-CG2 4.13Å; F11-V15 HydrophobicContact CE2-CG2 4.29Å; F11-V15 HydrophobicContact CZ-CG2 4.07Å; F11-V15 WeakPolarHBondContact O-CB 3.5Å; F11-V15 VanDerWaalsContact O-CG2 3.23Å; F11-V15 WeakPolarHBondContact O-CG2 3.41Å; F11-V15 PolarHBondContact O-N 3.01Å |
| 12 | L | 45.5 | Very low | 38.8 | Very low | 67 Ų | 67 | 109 Ų | 109 | 35% | 0.351 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.6 | -39.7 | 178.8 | -76.9 | 161.3 | 0 | 0 | 0 | 113.1 | L8 W9 S16 L222 | L8-L12 HydrophobicContact CG-CD1 4.1Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 WeakPolarHBondContact O-CD1 3.27Å; L8-L12 VanDerWaalsContact O-CG 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.47Å; L8-L12 PolarHBondContact O-N 2.98Å; W9-L12 PolarHBondContact O-N 2.89Å; L12-S16 WeakPolarHBondContact O-CB 3.21Å; L12-S16 PolarHBondContact O-N 3.05Å; L12-S16 PolarHBondContact O-OG 2.83Å; L12-L222 HydrophobicContact CD2-CD1 3.6Å |
| 13 | Q | 39.9 | Very low | 38.3 | Very low | 107 Ų | 107 | 107 Ų | 107 | 50% | 0.5 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.5 | -42.4 | 174.7 | -78.3 | -171.2 | -47.6 | 0 | 0 | 111.9 | W9 T10 S16 S17 | W9-Q13 HydrophobicContact CE3-CG 4.06Å; W9-Q13 VanDerWaalsContact CZ3-CD 3.46Å; W9-Q13 HydrophobicContact CZ3-CG 4.21Å; W9-Q13 WeakPolarHBondContact O-CB 3.42Å; W9-Q13 WeakPolarHBondContact O-CG 3.15Å; W9-Q13 PolarHBondContact O-N 3.08Å; T10-Q13 PolarHBondContact O-N 2.74Å; Q13-S16 PolarHBondContact O-N 3.03Å; Q13-S17 WeakPolarHBondContact O-CB 3.33Å; Q13-S17 PolarHBondContact O-N 3.13Å; Q13-S17 PolarHBondContact O-OG 3.07Å |
| 14 | Y | 42.1 | Very low | 37.9 | Very low | 176 Ų | 176 | 106.2 Ų | 106.2 | 69% | 0.69 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.8 | -41 | -179 | -123.6 | -94.1 | 0 | 0 | 0 | 112.8 | T10 F11 S16 S17 A18 | T10-Y14 WeakPolarHBondContact O-CB 3.17Å; T10-Y14 PolarHBondContact O-N 2.77Å; F11-Y14 PolarHBondContact O-N 3.27Å; Y14-S16 VanDerWaalsContact C-N 3.32Å; Y14-S16 PolarHBondContact O-N 2.99Å; Y14-S17 VanDerWaalsContact CA-OG 3.32Å; Y14-S17 WeakPolarHBondContact CA-OG 3.06Å; Y14-S17 PolarHBondContact O-N 3.34Å; Y14-S17 PolarHBondContact O-OG 2.9Å; Y14-A18 VanDerWaalsContact O-CB 3.32Å; Y14-A18 WeakPolarHBondContact O-CB 3.38Å; Y14-A18 PolarHBondContact O-N 3.1Å |
| 15 | V | 41.7 | Very low | 37.7 | Very low | 45 Ų | 45 | 105.4 Ų | 105.4 | 27% | 0.273 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -39.2 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | F11 L19 V224 | F11-V15 HydrophobicContact CD1-CG2 4.39Å; F11-V15 HydrophobicContact CE1-CG2 4.13Å; F11-V15 HydrophobicContact CE2-CG2 4.29Å; F11-V15 HydrophobicContact CZ-CG2 4.07Å; F11-V15 WeakPolarHBondContact O-CB 3.5Å; F11-V15 VanDerWaalsContact O-CG2 3.23Å; F11-V15 WeakPolarHBondContact O-CG2 3.41Å; F11-V15 PolarHBondContact O-N 3.01Å; V15-L19 HydrophobicContact CG1-CD1 4.36Å; V15-L19 PolarHBondContact O-N 3.3Å; V15-V224 HydrophobicContact CG1-CG2 3.71Å |
| 16 | S | 36 | Very low | 37 | Very low | 85 Ų | 85 | 109.3 Ų | 109.3 | 59% | 0.594 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.6 | -34.8 | 177.6 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | L12 Q13 Y14 | L12-S16 WeakPolarHBondContact O-CB 3.21Å; L12-S16 PolarHBondContact O-N 3.05Å; L12-S16 PolarHBondContact O-OG 2.83Å; Q13-S16 PolarHBondContact O-N 3.03Å; Y14-S16 VanDerWaalsContact C-N 3.32Å; Y14-S16 PolarHBondContact O-N 2.99Å |
| 17 | S | 34.7 | Very low | 36.8 | Very low | 70 Ų | 70 | 106.5 Ų | 106.5 | 49% | 0.49 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -76.6 | -32.6 | 177.7 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | Q13 Y14 L19 G20 | Q13-S17 WeakPolarHBondContact O-CB 3.33Å; Q13-S17 PolarHBondContact O-N 3.13Å; Q13-S17 PolarHBondContact O-OG 3.07Å; Y14-S17 VanDerWaalsContact CA-OG 3.32Å; Y14-S17 WeakPolarHBondContact CA-OG 3.06Å; Y14-S17 PolarHBondContact O-N 3.34Å; Y14-S17 PolarHBondContact O-OG 2.9Å; S17-L19 PolarHBondContact O-N 3.2Å; S17-G20 PolarHBondContact O-N 3.12Å |
| 18 | A | 36.5 | Very low | 35.9 | Very low | 74 Ų | 74 | 109.3 Ų | 109.3 | 61% | 0.612 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.6 | -23.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y14 | Y14-A18 VanDerWaalsContact O-CB 3.32Å; Y14-A18 WeakPolarHBondContact O-CB 3.38Å; Y14-A18 PolarHBondContact O-N 3.1Å |
| 19 | L | 39.8 | Very low | 35.4 | Very low | 132 Ų | 132 | 114.5 Ų | 114.5 | 69% | 0.691 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -9 | 175.1 | -89.2 | 149.7 | 0 | 0 | 0 | 113.4 | V15 S17 V224 | V15-L19 HydrophobicContact CG1-CD1 4.36Å; V15-L19 PolarHBondContact O-N 3.3Å; S17-L19 PolarHBondContact O-N 3.2Å; L19-V224 HydrophobicContact CD1-CG2 4.4Å |
| 20 | G | 29.6 | Very low | 35 | Very low | 65 Ų | 65 | 114.9 Ų | 114.9 | 67% | 0.67 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -17.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S17 | S17-G20 PolarHBondContact O-N 3.12Š|
| 21 | E | 27.9 | Very low | 34.4 | Very low | 165 Ų | 165 | 116 Ų | 116 | 77% | 0.771 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -114.5 | 119.7 | 174.3 | -76.6 | -175.8 | 152.9 | 0 | 0 | 109.4 | G23 | E21-G23 PolarHBondContact O-N 2.02Š|
| 22 | N | 34.8 | Very low | 33.8 | Very low | 164 Ų | 164 | 118.1 Ų | 118.1 | 88% | 0.877 | 68% | 0.679 | S | S | * | * | trans | -60.5 | 81.6 | 158.7 | -81.1 | -33.9 | 0 | 0 | 0 | 108.2 | V24 | N22-V24 PolarHBondContact O-N 3.36Š| ||
| 23 | G | 27.4 | Very low | 33.1 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -69.4 | 82.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | E21 L25 | E21-G23 PolarHBondContact O-N 2.02Å; G23-L25 PolarHBondContact O-N 3.13Å; G23-L25 VanDerWaalsContact O-N 3.09Å | ||
| 24 | V | 25.6 | Very low | 33 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | trans | -49.6 | 115.9 | 161.5 | 172.2 | 0 | 0 | 0 | 0 | 106.7 | N22 K26 | N22-V24 PolarHBondContact O-N 3.36Å; V24-K26 PolarHBondContact O-N 3.24Å | ||
| 25 | L | 32.5 | Very low | 32.7 | Very low | 154 Ų | 154 | 117.7 Ų | 117.7 | 81% | 0.806 | 70% | 0.698 | S | S | * | * | trans | -56.9 | 98.3 | 160 | -76.3 | 167.4 | 0 | 0 | 0 | 106.1 | G23 G27 | G23-L25 PolarHBondContact O-N 3.13Å; G23-L25 VanDerWaalsContact O-N 3.09Å; L25-G27 PolarHBondContact O-N 3.36Å; L25-G27 VanDerWaalsContact O-N 3.14Å | ||
| 26 | K | 25 | Very low | 32.9 | Very low | 182 Ų | 182 | 120 Ų | 120 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | trans | -64.3 | 113.1 | 165.3 | -92.9 | -176.4 | 171.7 | -175.4 | 0 | 106.1 | V24 E28 | V24-K26 PolarHBondContact O-N 3.24Å; K26-E28 PolarHBondContact O-N 2.97Å | ||
| 27 | G | 34.4 | Very low | 33.3 | Very low | 77 Ų | 77 | 118.5 Ų | 118.5 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | trans | -64.4 | 115.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | L25 | L25-G27 PolarHBondContact O-N 3.36Å; L25-G27 VanDerWaalsContact O-N 3.14Å | ||
| 28 | E | 25.8 | Very low | 33.8 | Very low | 154 Ų | 154 | 122.8 Ų | 122.8 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | trans | -123.2 | 112.1 | 155.8 | -76.4 | 178.8 | 170.5 | 0 | 0 | 106 | K26 E30 | K26-E28 PolarHBondContact O-N 2.97Å; E28-E30 PolarHBondContact O-N 3.44Å | ||
| 29 | D | 33.3 | Very low | 34.6 | Very low | 177 Ų | 177 | 122.1 Ų | 122.1 | 95% | 0.947 | 70% | 0.703 | S | S | * | * | trans | -60.3 | 89.6 | 161.2 | -91.2 | -37.9 | 0 | 0 | 0 | 107.4 | ||||
| 30 | E | 29.5 | Very low | 35.7 | Very low | 167 Ų | 167 | 116.3 Ų | 116.3 | 78% | 0.78 | 67% | 0.673 | S | S | * | * | trans | -127.2 | 124.7 | 161.6 | -69.8 | -160.8 | 166.3 | 0 | 0 | 108.5 | E28 F32 | E28-E30 PolarHBondContact O-N 3.44Å; E30-F32 PolarHBondContact O-N 3.32Å | ||
| 31 | G | 31.9 | Very low | 37.2 | Very low | 78 Ų | 78 | 120.4 Ų | 120.4 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | -54.1 | 126.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E33 | G31-E33 VanDerWaalsContact C-N 3.3Å; G31-E33 PolarHBondContact O-N 2.84Å | ||
| 32 | F | 35 | Very low | 39.3 | Very low | 155 Ų | 155 | 115.7 Ų | 115.7 | 68% | 0.68 | 67% | 0.67 | S | S | * | * | trans | -68.4 | 90 | 175.5 | -168.3 | -100.4 | 0 | 0 | 0 | 109.1 | E30 D36 | E30-F32 PolarHBondContact O-N 3.32Å; F32-D36 HydrophobicContact CE1-CB 4.49Å; F32-D36 HydrophobicContact CZ-CB 3.87Å | ||
| 33 | E | 31.5 | Very low | 41.7 | Very low | 155 Ų | 155 | 112.9 Ų | 112.9 | 72% | 0.724 | 65% | 0.647 | S | S | * | * | trans | -68.4 | 149.1 | 173.2 | -113.3 | 178.7 | 172 | 0 | 0 | 110.9 | G31 T35 | G31-E33 VanDerWaalsContact C-N 3.3Å; G31-E33 PolarHBondContact O-N 2.84Å; E33-T35 PolarHBondContact O-N 2.95Å; E33-T35 PolarHBondContact O-OG1 3.13Å | ||
| 34 | S | 38.1 | Very low | 45 | Very low | 86 Ų | 86 | 110.3 Ų | 110.3 | 60% | 0.601 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.4 | 8.4 | -169.9 | 47.1 | 0 | 0 | 0 | 0 | 120.3 | T37 | S34-T37 PolarHBondContact O-OG1 2.85Š|
| 35 | T | 35 | Very low | 48.3 | Very low | 100 Ų | 100 | 109.7 Ų | 109.7 | 61% | 0.613 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -32 | -165.9 | 44.2 | 0 | 0 | 0 | 0 | 114.9 | E33 | E33-T35 PolarHBondContact O-N 2.95Å; E33-T35 PolarHBondContact O-OG1 3.13Å |
| 36 | D | 46.1 | Very low | 51.4 | Low | 92 Ų | 92 | 102.7 Ų | 102.7 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | -23.3 | -180 | -83.8 | -23.4 | 0 | 0 | 0 | 114 | F32 E38 A39 | F32-D36 HydrophobicContact CE1-CB 4.49Å; F32-D36 HydrophobicContact CZ-CB 3.87Å; D36-E38 VanDerWaalsContact C-N 3.27Å; D36-E38 PolarHBondContact O-N 3.18Å; D36-A39 PolarHBondContact O-N 3Å |
| 37 | T | 45.9 | Very low | 54.7 | Low | 55 Ų | 55 | 95 Ų | 95 | 34% | 0.337 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23 | 177.4 | 31.8 | 0 | 0 | 0 | 0 | 113.7 | S34 | S34-T37 PolarHBondContact O-OG1 2.85Š|
| 38 | E | 44.7 | Very low | 57.6 | Low | 160 Ų | 160 | 92 Ų | 92 | 75% | 0.748 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -28.8 | 174.4 | -71.8 | -170.7 | 155.6 | 0 | 0 | 112.3 | D36 V40 H41 | D36-E38 VanDerWaalsContact C-N 3.27Å; D36-E38 PolarHBondContact O-N 3.18Å; E38-V40 PolarHBondContact O-N 3.31Å; E38-H41 PolarHBondContact O-N 3.22Å |
| 39 | A | 53.3 | Low | 60.8 | Low | 60 Ų | 60 | 85.4 Ų | 85.4 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D36 R43 | D36-A39 PolarHBondContact O-N 3Å; A39-R43 VanDerWaalsContact O-CD 3.27Å; A39-R43 WeakPolarHBondContact O-CD 3.43Å |
| 40 | V | 62.3 | Low | 63.4 | Low | 10 Ų | 10 | 82.8 Ų | 82.8 | 6% | 0.061 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -17.8 | -178.8 | 176.5 | 0 | 0 | 0 | 0 | 112.5 | E38 G42 R43 I44 L121 A135 | E38-V40 PolarHBondContact O-N 3.31Å; V40-G42 PolarHBondContact O-N 3.11Å; V40-R43 WeakPolarHBondContact O-CB 3.34Å; V40-R43 PolarHBondContact O-N 2.83Å; V40-I44 HydrophobicContact CG1-CD1 3.32Å; V40-I44 HydrophobicContact CG1-CG1 3.99Å; V40-L121 HydrophobicContact CG1-CD1 4.03Å; V40-L121 HydrophobicContact CG2-CD1 4.25Å; V40-A135 HydrophobicContact CG2-CB 3.69Å |
| 41 | H | 62.1 | Low | 66 | Low | 150 Ų | 150 | 76.4 Ų | 76.4 | 69% | 0.694 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 122.2 | -173.6 | -165.7 | 66.6 | 0 | 0 | 0 | 111.8 | E38 R43 | E38-H41 PolarHBondContact O-N 3.22Å; H41-R43 VanDerWaalsContact C-N 3.32Å; H41-R43 PolarHBondContact O-N 3.42Å |
| 42 | G | 70.2 | Confident | 68.3 | Low | 66 Ų | 66 | 76.9 Ų | 76.9 | 68% | 0.68 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 1.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116 | V40 | V40-G42 PolarHBondContact O-N 3.11Š|
| 43 | R | 87 | Confident | 70.3 | Confident | 105 Ų | 105 | 72.8 Ų | 72.8 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -15.6 | 177.3 | -57.6 | -174.9 | 77.2 | -178.2 | 0.8 | 113.7 | A39 V40 H41 | A39-R43 VanDerWaalsContact O-CD 3.27Å; A39-R43 WeakPolarHBondContact O-CD 3.43Å; V40-R43 WeakPolarHBondContact O-CB 3.34Å; V40-R43 PolarHBondContact O-N 2.83Å; H41-R43 VanDerWaalsContact C-N 3.32Å; H41-R43 PolarHBondContact O-N 3.42Å |
| 44 | I | 95.6 | Very high | 72.1 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 8% | 0.077 | 36% | 0.364 | C | S | . | . | trans | -102.4 | 132.4 | 176.2 | -57.4 | 164.2 | 0 | 0 | 0 | 108.6 | V40 Y46 V116 D117 W118 L121 V136 D139 | V40-I44 HydrophobicContact CG1-CD1 3.32Å; V40-I44 HydrophobicContact CG1-CG1 3.99Å; I44-Y46 HydrophobicContact CG2-CE1 4.41Å; I44-Y46 HydrophobicContact CG2-CE2 3.9Å; I44-V116 HydrophobicContact CG2-CG1 3.82Å; I44-D117 CarbonylContact C-O 3.58Å; I44-D117 WeakPolarHBondContact CA-O 3.41Å; I44-W118 HydrophobicContact CG1-CB 4.24Å; I44-L121 HydrophobicContact CG1-CD1 4.26Å; I44-V136 HydrophobicContact CD1-CB 4.09Å; I44-V136 HydrophobicContact CD1-CG1 3.9Å; I44-V136 HydrophobicContact CD1-CG2 3.98Å; I44-V136 HydrophobicContact CG1-CG1 4.49Å; I44-V136 HydrophobicContact CG1-CG2 4.48Å; I44-D139 HydrophobicContact CD1-CB 3.55Å | ||
| 45 | K | 95.4 | Very high | 73.8 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 46% | 0.457 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 136.7 | 177.6 | -55.6 | 175.1 | -177.5 | 172.9 | 0 | 110.6 | Y60 D117 | K45-Y60 HydrophobicContact CB-CD1 4.04Å; K45-Y60 HydrophobicContact CB-CE1 3.99Å; K45-Y60 HydrophobicContact CD-CE1 4.17Å; K45-D117 HydrophobicContact CB-CB 4.17Å; K45-D117 PolarHBondContact N-O 2.87Å; K45-D117 PolarHBondContact O-N 2.72Å |
| 46 | Y | 96.6 | Very high | 75.8 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 89.1 | -179.5 | -62.2 | -87.7 | 0 | 0 | 0 | 109.9 | I44 M48 Y60 L61 F82 V114 V116 D139 I140 M143 | I44-Y46 HydrophobicContact CG2-CE1 4.41Å; I44-Y46 HydrophobicContact CG2-CE2 3.9Å; Y46-M48 PolarHBondContact O-N 3.33Å; Y46-Y60 CarbonylContact O-C 3.48Å; Y46-Y60 WeakPolarHBondContact O-CA 3.33Å; Y46-L61 PolarHBondContact O-N 2.83Å; Y46-F82 HydrophobicContact CD1-CD2 4.35Å; Y46-F82 AromaticContact CD1-CE2 3.64Å; Y46-F82 HydrophobicContact CD1-CE2 3.64Å; Y46-F82 HydrophobicContact CD1-CZ 4.4Å; Y46-F82 HydrophobicContact CE1-CD2 4.49Å; Y46-F82 AromaticContact CE1-CE2 3.88Å; Y46-F82 HydrophobicContact CE1-CE2 3.88Å; Y46-V114 HydrophobicContact CD1-CG1 4.44Å; Y46-V116 HydrophobicContact CD1-CG2 4.15Å; Y46-V116 HydrophobicContact CE1-CG1 4.25Å; Y46-V116 HydrophobicContact CE1-CG2 4.25Å; Y46-D139 WeakPolarHBondContact CE2-OD1 3.42Å; Y46-D139 VanDerWaalsContact OH-C 3.31Å; Y46-D139 PolarHBondContact OH-O 2.96Å; Y46-D139 PolarHBondContact OH-OD1 2.87Å; Y46-I140 HydrophobicContact CE1-CG1 4Å; Y46-I140 WeakPolarHBondContact OH-CA 3.34Å; Y46-I140 PolarHBondContact OH-N 2.79Å; Y46-M143 HydrophobicContact CD1-CE 4.14Å; Y46-M143 HydrophobicContact CD1-CG 4.34Å; Y46-M143 HydrophobicContact CD2-CE 3.26Å; Y46-M143 HydrophobicContact CE1-CB 4.22Å; Y46-M143 HydrophobicContact CE1-CE 4.4Å; Y46-M143 HydrophobicContact CE1-CG 4.18Å; Y46-M143 HydrophobicContact CE2-CE 3.61Å; Y46-M143 HydrophobicContact CG-CE 3.56Å |
| 47 | N | 95.1 | Very high | 77.2 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 11% | 0.107 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 96.6 | -175.2 | -175.4 | -2.9 | 0 | 0 | 0 | 110.9 | R49 G58 C59 Y60 V114 V115 | N47-R49 PolarHBondContact ND2-NH1 2.87Å; N47-R49 PolarHBondContact O-N 3.28Å; N47-G58 WeakPolarHBondContact OD1-CA 3.44Å; N47-C59 CarbonylContact C-O 3.51Å; N47-Y60 HydrophobicContact CB-CD1 4.2Å; N47-Y60 HydrophobicContact CB-CE1 3.85Å; N47-V114 WeakPolarHBondContact O-CA 3.48Å; N47-V115 HydrophobicContact CB-CB 4.41Å; N47-V115 PolarHBondContact N-O 2.99Å; N47-V115 PolarHBondContact O-N 3.36Å |
| 48 | M | 95.7 | Very high | 79 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 6% | 0.064 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 118.1 | 170.8 | -174.2 | 175.6 | 167.4 | 0 | 0 | 110.3 | Y46 G58 C59 L61 C72 F74 N112 V113 V114 | Y46-M48 PolarHBondContact O-N 3.33Å; M48-G58 WeakPolarHBondContact O-CA 3.06Å; M48-C59 WeakPolarHBondContact CA-O 3.44Å; M48-C59 WeakPolarHBondContact CB-O 3.43Å; M48-C59 PolarHBondContact N-O 3.02Å; M48-C59 PolarHBondContact O-N 2.89Å; M48-L61 HydrophobicContact CB-CD1 4.46Å; M48-L61 HydrophobicContact CB-CD2 4.38Å; M48-L61 HydrophobicContact CB-CG 4.22Å; M48-L61 HydrophobicContact SD-CD2 4.28Å; M48-C72 HydrophobicContact SD-CB 3.79Å; M48-F74 HydrophobicContact SD-CB 4.28Å; M48-F74 HydrophobicContact SD-CD2 4.01Å; M48-N112 HydrophobicContact CE-CB 3.94Å; M48-N112 VanDerWaalsContact CE-OD1 3.32Å; M48-N112 WeakPolarHBondContact CE-OD1 3.4Å; M48-N112 HydrophobicContact SD-CB 4.43Å; M48-V113 WeakPolarHBondContact CA-O 3.34Å; M48-V114 HydrophobicContact CB-CG2 4.15Å; M48-V114 HydrophobicContact CG-CG2 4.28Å |
| 49 | R | 93.5 | Very high | 81.2 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 6% | 0.06 | 34% | 0.337 | C | S | . | . | trans | -80.8 | 126.8 | -172.4 | -59.3 | -59.2 | -49.3 | 164 | 16.4 | 110.8 | N47 S51 D53 L54 Q56 V101 M105 V113 V115 | N47-R49 PolarHBondContact ND2-NH1 2.87Å; N47-R49 PolarHBondContact O-N 3.28Å; R49-S51 PolarHBondContact NH2-O 3.32Å; R49-D53 PolarHBondContact NH2-O 2.7Å; R49-L54 VanDerWaalsContact NE-CD2 3.32Å; R49-L54 PolarHBondContact NH1-O 3.4Å; R49-L54 VanDerWaalsContact NH2-CA 3.3Å; R49-Q56 PolarHBondContact NH1-O 2.92Å; R49-Q56 VanDerWaalsContact NH1-O 3.11Å; R49-Q56 PolarHBondContact NH2-O 3.25Å; R49-V101 HydrophobicContact CB-CG1 4.41Å; R49-V101 HydrophobicContact CG-CG1 3.86Å; R49-M105 HydrophobicContact CB-CE 4.1Å; R49-M105 HydrophobicContact CB-SD 3.65Å; R49-V113 PolarHBondContact N-O 3.42Å; R49-V115 HydrophobicContact CG-CG2 3.96Å | ||
| 50 | K | 86.4 | Confident | 83.2 | Confident | 123 Ų | 123 | 64.6 Ų | 64.6 | 54% | 0.535 | 33% | 0.328 | S | S | . | . | trans | -103.9 | -16.4 | 174.6 | -66.8 | -174.3 | 171.3 | 178.5 | 0 | 113.8 | C59 E71 C72 | K50-C59 HydrophobicContact CD-CB 4.31Å; K50-E71 PolarHBondContact NZ-O 2.82Å; K50-C72 WeakPolarHBondContact CE-O 3.24Å | ||
| 51 | S | 84.5 | Confident | 84.8 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 23% | 0.231 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -138.1 | 149.6 | -175.3 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | R49 D53 Q56 | R49-S51 PolarHBondContact NH2-O 3.32Å; S51-D53 PolarHBondContact O-N 3.48Å; S51-D53 PolarHBondContact OG-N 3.41Å; S51-Q56 PolarHBondContact OG-OE1 3.32Å |
| 52 | L | 80.3 | Confident | 86.2 | Confident | 87 Ų | 87 | 61.1 Ų | 61.1 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -67.4 | -21.7 | 172.6 | -65.9 | 175.7 | 0 | 0 | 0 | 112.1 | L54 M105 Q106 | L52-L54 PolarHBondContact O-N 3.46Å; L52-M105 HydrophobicContact CD2-CB 3.64Å; L52-M105 HydrophobicContact CD2-SD 4.19Å; L52-Q106 HydrophobicContact CD1-CG 4.3Å; L52-Q106 HydrophobicContact CD2-CG 4.11Å |
| 53 | D | 76.2 | Confident | 87.3 | Confident | 69 Ų | 69 | 60.7 Ų | 60.7 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | trans | -79.2 | 110.3 | 173.5 | -177.2 | 0.4 | 0 | 0 | 0 | 109.6 | R49 S51 D55 Q56 | R49-D53 PolarHBondContact NH2-O 2.7Å; S51-D53 PolarHBondContact O-N 3.48Å; S51-D53 PolarHBondContact OG-N 3.41Å; D53-D55 PolarHBondContact O-N 3.21Å; D53-D55 WeakPolarHBondContact OD1-CB 3.29Å; D53-D55 PolarHBondContact OD1-N 3.42Å; D53-Q56 HydrophobicContact CB-CB 4.46Å; D53-Q56 HydrophobicContact CB-CG 4.06Å; D53-Q56 WeakPolarHBondContact O-CB 3.43Å; D53-Q56 PolarHBondContact O-N 3.43Å; D53-Q56 PolarHBondContact OD2-NE2 3Å | ||
| 54 | L | 69.9 | Low | 87.5 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -21.1 | 179.9 | -66.2 | -156.7 | 0 | 0 | 0 | 113.8 | R49 L52 Q56 M97 H98 V101 | R49-L54 VanDerWaalsContact NE-CD2 3.32Å; R49-L54 PolarHBondContact NH1-O 3.4Å; R49-L54 VanDerWaalsContact NH2-CA 3.3Å; L52-L54 PolarHBondContact O-N 3.46Å; L54-Q56 PolarHBondContact O-N 2.95Å; L54-M97 HydrophobicContact CD1-CG 4.49Å; L54-H98 VanDerWaalsContact CB-CE1 3.43Å; L54-H98 WeakPolarHBondContact CB-CE1 3.33Å; L54-H98 VanDerWaalsContact CB-ND1 3.3Å; L54-H98 WeakPolarHBondContact CB-ND1 3.21Å; L54-H98 VanDerWaalsContact CD1-CA 3.47Å; L54-H98 HydrophobicContact CD1-CB 3.98Å; L54-H98 WeakPolarHBondContact CD1-ND1 3.32Å; L54-H98 HydrophobicContact CG-CB 4.32Å; L54-H98 WeakPolarHBondContact CG-ND1 3.27Å; L54-V101 HydrophobicContact CD1-CG2 4.4Å; L54-V101 HydrophobicContact CD2-CB 4.04Å; L54-V101 HydrophobicContact CD2-CG1 3.72Å; L54-V101 HydrophobicContact CD2-CG2 4.37Å |
| 55 | D | 74.5 | Confident | 87.3 | Confident | 140 Ų | 140 | 63.9 Ų | 63.9 | 75% | 0.749 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -20.9 | 178.6 | -60.7 | -23.4 | 0 | 0 | 0 | 110.9 | D53 E57 | D53-D55 PolarHBondContact O-N 3.21Å; D53-D55 WeakPolarHBondContact OD1-CB 3.29Å; D53-D55 PolarHBondContact OD1-N 3.42Å; D55-E57 PolarHBondContact O-N 3.08Å |
| 56 | Q | 76.9 | Confident | 87.2 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -72.4 | 127.2 | 166.2 | -67.3 | 175.9 | 12.5 | 0 | 0 | 109.7 | R49 S51 D53 L54 G58 | R49-Q56 PolarHBondContact NH1-O 2.92Å; R49-Q56 VanDerWaalsContact NH1-O 3.11Å; R49-Q56 PolarHBondContact NH2-O 3.25Å; S51-Q56 PolarHBondContact OG-OE1 3.32Å; D53-Q56 HydrophobicContact CB-CB 4.46Å; D53-Q56 HydrophobicContact CB-CG 4.06Å; D53-Q56 WeakPolarHBondContact O-CB 3.43Å; D53-Q56 PolarHBondContact O-N 3.43Å; D53-Q56 PolarHBondContact OD2-NE2 3Å; L54-Q56 PolarHBondContact O-N 2.95Å; Q56-G58 PolarHBondContact O-N 3.18Å |
| 57 | E | 75.2 | Confident | 87 | Confident | 165 Ų | 165 | 66.1 Ų | 66.1 | 77% | 0.771 | 35% | 0.35 | S | S | * | . | trans | -56.9 | 126.5 | 171.3 | -73.2 | -169.1 | 153.3 | 0 | 0 | 109.4 | D55 | D55-E57 PolarHBondContact O-N 3.08Š| ||
| 58 | G | 82.9 | Confident | 86.9 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | trans | -79.1 | -156 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | N47 M48 Q56 | N47-G58 WeakPolarHBondContact OD1-CA 3.44Å; M48-G58 WeakPolarHBondContact O-CA 3.06Å; Q56-G58 PolarHBondContact O-N 3.18Å | ||
| 59 | C | 92.1 | Very high | 86.8 | Confident | 15 Ų | 15 | 65 Ų | 65 | 10% | 0.101 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.6 | 175.7 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | N47 M48 K50 C72 | N47-C59 CarbonylContact C-O 3.51Å; M48-C59 WeakPolarHBondContact CA-O 3.44Å; M48-C59 WeakPolarHBondContact CB-O 3.43Å; M48-C59 PolarHBondContact N-O 3.02Å; M48-C59 PolarHBondContact O-N 2.89Å; K50-C59 HydrophobicContact CD-CB 4.31Å; C59-C72 VanDerWaalsContact C-SG 3.54Å; C59-C72 HydrophobicContact CB-CB 3.63Å; C59-C72 WeakPolarHBondContact CB-SG 3.38Å; C59-C72 WeakPolarHBondContact SG-CA 3.31Å; C59-C72 WeakPolarHBondContact SG-CB 3.38Å; C59-C72 PolarHBondContact SG-N 3.14Å; C59-C72 VanDerWaalsContact SG-N 3.36Å; C59-C72 CovalentContact SG-SG 2.02Å; C59-C72 PolarHBondContact SG-SG 3Å |
| 60 | Y | 94.6 | Very high | 86.8 | Confident | 76 Ų | 76 | 71 Ų | 71 | 30% | 0.298 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 121 | -173.2 | -68.3 | -86 | 0 | 0 | 0 | 111.5 | K45 Y46 N47 C68 | K45-Y60 HydrophobicContact CB-CD1 4.04Å; K45-Y60 HydrophobicContact CB-CE1 3.99Å; K45-Y60 HydrophobicContact CD-CE1 4.17Å; Y46-Y60 CarbonylContact O-C 3.48Å; Y46-Y60 WeakPolarHBondContact O-CA 3.33Å; N47-Y60 HydrophobicContact CB-CD1 4.2Å; N47-Y60 HydrophobicContact CB-CE1 3.85Å; Y60-C68 WeakPolarHBondContact O-CB 3.5Å |
| 61 | L | 95.1 | Very high | 87 | Confident | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.016 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 134 | 170.7 | -51.1 | 179.2 | 0 | 0 | 0 | 109.2 | Y46 M48 L69 C72 F74 V114 M143 | Y46-L61 PolarHBondContact O-N 2.83Å; M48-L61 HydrophobicContact CB-CD1 4.46Å; M48-L61 HydrophobicContact CB-CD2 4.38Å; M48-L61 HydrophobicContact CB-CG 4.22Å; M48-L61 HydrophobicContact SD-CD2 4.28Å; L61-L69 HydrophobicContact CD2-CD2 4.02Å; L61-C72 HydrophobicContact CD2-CB 3.9Å; L61-F74 HydrophobicContact CD1-CD2 4.28Å; L61-F74 HydrophobicContact CD1-CE2 4.48Å; L61-V114 HydrophobicContact CD1-CG1 4.45Å; L61-V114 HydrophobicContact CD1-CG2 3.88Å; L61-M143 HydrophobicContact CB-CE 3.96Å; L61-M143 HydrophobicContact CB-SD 4.41Å |
| 62 | Q | 93.5 | Very high | 87.5 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 40% | 0.397 | 37% | 0.369 | S | S | . | . | trans | -136.1 | 122.6 | -179.5 | -65.1 | -174.6 | -1.2 | 0 | 0 | 109.5 | K65 C68 W146 | Q62-K65 HydrophobicContact CB-CB 4.2Å; Q62-K65 HydrophobicContact CB-CD 4.13Å; Q62-K65 HydrophobicContact CB-CG 4.35Å; Q62-K65 PolarHBondContact O-N 2.91Å; Q62-K65 VanDerWaalsContact O-N 3.12Å; Q62-K65 VanDerWaalsContact OE1-CD 3.22Å; Q62-K65 VanDerWaalsContact OE1-CE 3.28Å; Q62-C68 PolarHBondContact N-SG 3.04Å; Q62-W146 WeakPolarHBondContact O-CH2 3.17Å | ||
| 63 | T | 92.1 | Very high | 88.1 | Confident | 57 Ų | 57 | 68.6 Ų | 68.6 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 140.2 | 177.2 | 48.5 | 0 | 0 | 0 | 0 | 110.7 | K65 M143 W146 | T63-K65 PolarHBondContact O-N 3.35Å; T63-M143 HydrophobicContact CG2-CB 4.07Å; T63-M143 HydrophobicContact CG2-CE 3.78Å; T63-M143 HydrophobicContact CG2-SD 3.76Å; T63-W146 HydrophobicContact CG2-CB 4.31Å; T63-W146 HydrophobicContact CG2-CD2 4.35Å; T63-W146 HydrophobicContact CG2-CE3 4.17Å; T63-W146 HydrophobicContact CG2-CG 4.41Å |
| 64 | G | 90.8 | Very high | 89 | Confident | 65 Ų | 65 | 65.9 Ų | 65.9 | 67% | 0.67 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -5.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | W146 | G64-W146 VanDerWaalsContact N-NE1 3.17Š|
| 65 | K | 92.4 | Very high | 90.2 | Very high | 121 Ų | 121 | 67.9 Ų | 67.9 | 53% | 0.526 | 37% | 0.37 | S | S | . | . | trans | -110 | 83.4 | 178.7 | -64.7 | -168.4 | -169.9 | 172.3 | 0 | 111.8 | Q62 T63 A67 C68 | Q62-K65 HydrophobicContact CB-CB 4.2Å; Q62-K65 HydrophobicContact CB-CD 4.13Å; Q62-K65 HydrophobicContact CB-CG 4.35Å; Q62-K65 PolarHBondContact O-N 2.91Å; Q62-K65 VanDerWaalsContact O-N 3.12Å; Q62-K65 VanDerWaalsContact OE1-CD 3.22Å; Q62-K65 VanDerWaalsContact OE1-CE 3.28Å; T63-K65 PolarHBondContact O-N 3.35Å; K65-A67 PolarHBondContact O-N 3.12Å; K65-A67 VanDerWaalsContact O-N 3.12Å; K65-C68 PolarHBondContact O-N 3.02Å; K65-C68 VanDerWaalsContact O-N 3.07Å; K65-C68 PolarHBondContact O-SG 2.77Å | ||
| 66 | K | 92.3 | Very high | 91.1 | Very high | 105 Ų | 105 | 62.2 Ų | 62.2 | 46% | 0.457 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -37.2 | -178.2 | -174 | 175.1 | 178.9 | 173.2 | 0 | 114.4 | C68 L69 | K66-C68 PolarHBondContact O-N 3.4Å; K66-C68 VanDerWaalsContact O-N 3.13Å; K66-L69 WeakPolarHBondContact O-CB 3.13Å; K66-L69 PolarHBondContact O-N 3.14Å |
| 67 | A | 93.4 | Very high | 92 | Very high | 55 Ų | 55 | 62.7 Ų | 62.7 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.2 | -32.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K65 L69 E70 E71 | K65-A67 PolarHBondContact O-N 3.12Å; K65-A67 VanDerWaalsContact O-N 3.12Å; A67-L69 PolarHBondContact O-N 3.38Å; A67-E70 PolarHBondContact O-N 2.8Å; A67-E71 WeakPolarHBondContact O-CG 3.21Å; A67-E71 PolarHBondContact O-N 2.99Å |
| 68 | C | 93.5 | Very high | 93 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.5 | -29.5 | 179 | 78.6 | 0 | 0 | 0 | 0 | 112.5 | Y60 Q62 K65 K66 E71 C72 | Y60-C68 WeakPolarHBondContact O-CB 3.5Å; Q62-C68 PolarHBondContact N-SG 3.04Å; K65-C68 PolarHBondContact O-N 3.02Å; K65-C68 VanDerWaalsContact O-N 3.07Å; K65-C68 PolarHBondContact O-SG 2.77Å; K66-C68 PolarHBondContact O-N 3.4Å; K66-C68 VanDerWaalsContact O-N 3.13Å; C68-E71 PolarHBondContact O-N 3.16Å; C68-C72 WeakPolarHBondContact O-CB 3.18Å; C68-C72 PolarHBondContact O-N 3.23Å; C68-C72 PolarHBondContact O-SG 2.87Å |
| 69 | L | 93.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67 | -41.7 | 179.2 | -59.1 | 178.8 | 0 | 0 | 0 | 110.9 | L61 K66 A67 G73 F74 W146 L147 E150 H151 | L61-L69 HydrophobicContact CD2-CD2 4.02Å; K66-L69 WeakPolarHBondContact O-CB 3.13Å; K66-L69 PolarHBondContact O-N 3.14Å; A67-L69 PolarHBondContact O-N 3.38Å; L69-G73 PolarHBondContact O-N 3.43Å; L69-G73 VanDerWaalsContact O-N 3.1Å; L69-F74 HydrophobicContact CB-CB 4.29Å; L69-F74 HydrophobicContact CD2-CB 4.16Å; L69-F74 HydrophobicContact CD2-CD1 4.43Å; L69-F74 HydrophobicContact CD2-CG 4.22Å; L69-F74 PolarHBondContact O-N 2.84Å; L69-W146 HydrophobicContact CD1-CH2 3.74Å; L69-W146 HydrophobicContact CD1-CZ2 4.13Å; L69-W146 HydrophobicContact CD1-CZ3 4.3Å; L69-W146 HydrophobicContact CD2-CH2 3.76Å; L69-W146 HydrophobicContact CD2-CZ3 3.87Å; L69-W146 HydrophobicContact CG-CH2 3.72Å; L69-W146 HydrophobicContact CG-CZ2 4.46Å; L69-W146 HydrophobicContact CG-CZ3 4.32Å; L69-L147 HydrophobicContact CD1-CD2 4.29Å; L69-L147 HydrophobicContact CD2-CD2 3.6Å; L69-E150 HydrophobicContact CD1-CB 4.41Å; L69-H151 HydrophobicContact CD1-CB 4.41Å; L69-H151 WeakPolarHBondContact CD1-CD2 3.47Å |
| 70 | E | 92 | Very high | 93.9 | Very high | 142 Ų | 142 | 58.1 Ų | 58.1 | 66% | 0.664 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -68.5 | -46.8 | 175.9 | -65 | 178.9 | -174.1 | 0 | 0 | 110.9 | A67 C72 G73 | A67-E70 PolarHBondContact O-N 2.8Å; E70-C72 VanDerWaalsContact C-N 3.31Å; E70-C72 PolarHBondContact O-N 2.91Å; E70-G73 PolarHBondContact O-N 3.04Å; E70-G73 VanDerWaalsContact O-N 3.09Å |
| 71 | E | 92 | Very high | 94.1 | Very high | 134 Ų | 134 | 54.5 Ų | 54.5 | 63% | 0.626 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.2 | -38.8 | 177.6 | -71.9 | 172.9 | -171.2 | 0 | 0 | 112.5 | K50 A67 C68 G73 | K50-E71 PolarHBondContact NZ-O 2.82Å; A67-E71 WeakPolarHBondContact O-CG 3.21Å; A67-E71 PolarHBondContact O-N 2.99Å; C68-E71 PolarHBondContact O-N 3.16Å; E71-G73 VanDerWaalsContact C-N 3.29Å |
| 72 | C | 93.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -77.6 | -15.9 | 178 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | M48 K50 C59 L61 C68 E70 F74 | M48-C72 HydrophobicContact SD-CB 3.79Å; K50-C72 WeakPolarHBondContact CE-O 3.24Å; C59-C72 VanDerWaalsContact C-SG 3.54Å; C59-C72 HydrophobicContact CB-CB 3.63Å; C59-C72 WeakPolarHBondContact CB-SG 3.38Å; C59-C72 WeakPolarHBondContact SG-CA 3.31Å; C59-C72 WeakPolarHBondContact SG-CB 3.38Å; C59-C72 PolarHBondContact SG-N 3.14Å; C59-C72 VanDerWaalsContact SG-N 3.36Å; C59-C72 CovalentContact SG-SG 2.02Å; C59-C72 PolarHBondContact SG-SG 3Å; L61-C72 HydrophobicContact CD2-CB 3.9Å; C68-C72 WeakPolarHBondContact O-CB 3.18Å; C68-C72 PolarHBondContact O-N 3.23Å; C68-C72 PolarHBondContact O-SG 2.87Å; E70-C72 VanDerWaalsContact C-N 3.31Å; E70-C72 PolarHBondContact O-N 2.91Å; C72-F74 VanDerWaalsContact C-N 3.35Å |
| 73 | G | 93.6 | Very high | 94.6 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 55% | 0.546 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 35.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L69 E70 E71 N75 | L69-G73 PolarHBondContact O-N 3.43Å; L69-G73 VanDerWaalsContact O-N 3.1Å; E70-G73 PolarHBondContact O-N 3.04Å; E70-G73 VanDerWaalsContact O-N 3.09Å; E71-G73 VanDerWaalsContact C-N 3.29Å; G73-N75 PolarHBondContact O-N 2.84Å |
| 74 | F | 95.6 | Very high | 94.9 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | trans | -64.5 | 123.8 | -179.3 | -175.4 | -91.4 | 0 | 0 | 0 | 110.9 | M48 L61 L69 C72 T80 N112 L147 L153 | M48-F74 HydrophobicContact SD-CB 4.28Å; M48-F74 HydrophobicContact SD-CD2 4.01Å; L61-F74 HydrophobicContact CD1-CD2 4.28Å; L61-F74 HydrophobicContact CD1-CE2 4.48Å; L69-F74 HydrophobicContact CB-CB 4.29Å; L69-F74 HydrophobicContact CD2-CB 4.16Å; L69-F74 HydrophobicContact CD2-CD1 4.43Å; L69-F74 HydrophobicContact CD2-CG 4.22Å; L69-F74 PolarHBondContact O-N 2.84Å; C72-F74 VanDerWaalsContact C-N 3.35Å; F74-T80 HydrophobicContact CE2-CG2 4.08Å; F74-T80 HydrophobicContact CZ-CG2 4.27Å; F74-N112 HydrophobicContact CD2-CB 3.95Å; F74-N112 HydrophobicContact CE2-CB 3.78Å; F74-L147 HydrophobicContact CE1-CD2 4.15Å; F74-L147 HydrophobicContact CE2-CD1 4.47Å; F74-L147 HydrophobicContact CZ-CD1 4.2Å; F74-L147 HydrophobicContact CZ-CD2 4.17Å; F74-L153 HydrophobicContact CE1-CD1 4.49Å; F74-L153 HydrophobicContact CZ-CD1 4.14Å; F74-L153 HydrophobicContact CZ-CD2 4.4Å | ||
| 75 | N | 95 | Very high | 95.2 | Very high | 68 Ų | 68 | 44.8 Ų | 44.8 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | trans | -110.5 | 104.9 | 178.9 | -177.7 | 0.9 | 0 | 0 | 0 | 111 | G73 T77 S78 N112 | G73-N75 PolarHBondContact O-N 2.84Å; N75-T77 PolarHBondContact ND2-OG1 3.48Å; N75-T77 PolarHBondContact O-N 3.25Å; N75-T77 PolarHBondContact OD1-N 3.46Å; N75-T77 PolarHBondContact OD1-OG1 2.9Å; N75-S78 PolarHBondContact ND2-OG 3.04Å; N75-S78 VanDerWaalsContact ND2-OG 3.08Å; N75-S78 WeakPolarHBondContact O-CB 3.33Å; N75-S78 PolarHBondContact O-N 3.4Å; N75-S78 VanDerWaalsContact O-N 3.13Å; N75-N112 PolarHBondContact N-OD1 2.93Å; N75-N112 PolarHBondContact O-ND2 2.91Å | ||
| 76 | S | 94.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 15% | 0.147 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.3 | -179.2 | 54.3 | 0 | 0 | 0 | 0 | 114.8 | H151 P154 | S76-H151 WeakPolarHBondContact CB-O 3.14Å; S76-H151 PolarHBondContact OG-O 3.18Å; S76-P154 WeakPolarHBondContact O-CD 3.24Å |
| 77 | T | 94.3 | Very high | 95.4 | Very high | 109 Ų | 109 | 37.1 Ų | 37.1 | 67% | 0.669 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -22.3 | 174.5 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | N75 | N75-T77 PolarHBondContact ND2-OG1 3.48Å; N75-T77 PolarHBondContact O-N 3.25Å; N75-T77 PolarHBondContact OD1-N 3.46Å; N75-T77 PolarHBondContact OD1-OG1 2.9Å |
| 78 | S | 96.1 | Very high | 95 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -77.5 | 159.9 | 174.7 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | N75 E110 | N75-S78 PolarHBondContact ND2-OG 3.04Å; N75-S78 VanDerWaalsContact ND2-OG 3.08Å; N75-S78 WeakPolarHBondContact O-CB 3.33Å; N75-S78 PolarHBondContact O-N 3.4Å; N75-S78 VanDerWaalsContact O-N 3.13Å; S78-E110 WeakPolarHBondContact CB-O 3.43Å; S78-E110 PolarHBondContact OG-O 3.42Å |
| 79 | K | 97.4 | Very high | 94.3 | Very high | 85 Ų | 85 | 39.1 Ų | 39.1 | 37% | 0.37 | 21% | 0.21 | S | C | . | . | trans | -57.3 | 142.5 | 166.2 | -71 | -176.2 | -169.1 | 157.4 | 0 | 110.5 | E108 A111 N112 N157 Y315 | K79-E108 WeakPolarHBondContact CD-OE2 3.18Å; K79-E108 IonicContact NZ-OE1 3.74Å; K79-E108 PolarHBondContact NZ-OE1 3.32Å; K79-E108 VanDerWaalsContact NZ-OE1 3.14Å; K79-E108 IonicContact NZ-OE2 2.92Å; K79-E108 PolarHBondContact NZ-OE2 2.84Å; K79-A111 HydrophobicContact CB-CB 4.08Å; K79-A111 CarbonylContact O-C 3.49Å; K79-A111 VanDerWaalsContact O-CA 3.24Å; K79-A111 WeakPolarHBondContact O-CA 3.32Å; K79-A111 WeakPolarHBondContact O-CB 3.43Å; K79-N112 PolarHBondContact O-N 2.88Å; K79-N157 WeakPolarHBondContact CA-O 3.47Å; K79-Y315 PolarHBondContact NZ-OH 3.21Å | ||
| 80 | T | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 115.7 | 176.4 | -64 | 0 | 0 | 0 | 0 | 108.8 | F74 F82 N112 N157 V158 H159 | F74-T80 HydrophobicContact CE2-CG2 4.08Å; F74-T80 HydrophobicContact CZ-CG2 4.27Å; T80-F82 HydrophobicContact CG2-CD1 3.82Å; T80-F82 HydrophobicContact CG2-CE1 3.47Å; T80-F82 VanDerWaalsContact CG2-CE1 3.47Å; T80-N112 HydrophobicContact CG2-CB 4.32Å; T80-N112 PolarHBondContact OG1-ND2 3.2Å; T80-N157 PolarHBondContact N-O 2.84Å; T80-V158 WeakPolarHBondContact O-CA 3.5Å; T80-H159 PolarHBondContact O-N 2.86Å |
| 81 | I | 98.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.4 | -171.9 | -53.3 | 179.1 | 0 | 0 | 0 | 108.9 | I83 V104 E108 A111 N112 V113 V114 H159 I161 | I81-I83 HydrophobicContact CG2-CG1 4.49Å; I81-V104 HydrophobicContact CB-CG1 4.39Å; I81-V104 HydrophobicContact CD1-CG1 3.71Å; I81-V104 HydrophobicContact CG2-CG1 4.06Å; I81-E108 HydrophobicContact CD1-CB 4.25Å; I81-E108 HydrophobicContact CD1-CG 4.09Å; I81-A111 HydrophobicContact CD1-CB 4.16Å; I81-A111 HydrophobicContact CG1-CB 4.42Å; I81-N112 PolarHBondContact N-O 2.85Å; I81-V113 WeakPolarHBondContact O-CA 3.48Å; I81-V114 PolarHBondContact O-N 2.81Å; I81-H159 CarbonylContact C-O 3.54Å; I81-H159 VanDerWaalsContact CA-O 3.28Å; I81-H159 WeakPolarHBondContact CA-O 3.48Å; I81-H159 HydrophobicContact CG1-CB 4.31Å; I81-I161 HydrophobicContact CG2-CD1 3.67Å; I81-I161 HydrophobicContact CG2-CG1 4.27Å |
| 82 | F | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 127.7 | 176.5 | -81.3 | 39.6 | 0 | 0 | 0 | 109 | Y46 T80 V114 V116 I140 M143 F144 H159 L160 I161 | Y46-F82 HydrophobicContact CD1-CD2 4.35Å; Y46-F82 AromaticContact CD1-CE2 3.64Å; Y46-F82 HydrophobicContact CD1-CE2 3.64Å; Y46-F82 HydrophobicContact CD1-CZ 4.4Å; Y46-F82 HydrophobicContact CE1-CD2 4.49Å; Y46-F82 AromaticContact CE1-CE2 3.88Å; Y46-F82 HydrophobicContact CE1-CE2 3.88Å; T80-F82 HydrophobicContact CG2-CD1 3.82Å; T80-F82 HydrophobicContact CG2-CE1 3.47Å; T80-F82 VanDerWaalsContact CG2-CE1 3.47Å; F82-V114 CarbonylContact C-O 3.48Å; F82-V114 VanDerWaalsContact CA-O 3.31Å; F82-V114 WeakPolarHBondContact CA-O 3.45Å; F82-V114 HydrophobicContact CD1-CB 3.63Å; F82-V114 HydrophobicContact CD1-CG1 4.35Å; F82-V114 HydrophobicContact CD1-CG2 3.9Å; F82-V114 HydrophobicContact CD2-CB 4.49Å; F82-V114 HydrophobicContact CD2-CG1 4.44Å; F82-V114 HydrophobicContact CE1-CB 3.61Å; F82-V114 HydrophobicContact CE1-CG1 4.1Å; F82-V114 HydrophobicContact CE1-CG2 3.48Å; F82-V114 VanDerWaalsContact CE1-CG2 3.48Å; F82-V114 HydrophobicContact CE2-CB 4.5Å; F82-V114 HydrophobicContact CE2-CG1 4.21Å; F82-V114 HydrophobicContact CG-CB 4.08Å; F82-V114 HydrophobicContact CZ-CB 4.07Å; F82-V114 HydrophobicContact CZ-CG1 4.03Å; F82-V114 HydrophobicContact CZ-CG2 4.08Å; F82-V116 HydrophobicContact CB-CG2 4.23Å; F82-V116 HydrophobicContact CD2-CG2 3.55Å; F82-V116 HydrophobicContact CE2-CG2 4.31Å; F82-V116 HydrophobicContact CG-CG2 4.24Å; F82-I140 HydrophobicContact CD2-CG2 4.27Å; F82-I140 HydrophobicContact CE2-CG2 4.5Å; F82-M143 HydrophobicContact CE2-CG 4.33Å; F82-M143 HydrophobicContact CZ-CG 4.33Å; F82-F144 HydrophobicContact CB-CZ 4.46Å; F82-F144 HydrophobicContact CD1-CE1 4.03Å; F82-F144 AromaticContact CD1-CZ 3.92Å; F82-F144 HydrophobicContact CD1-CZ 3.92Å; F82-F144 HydrophobicContact CD2-CE1 4.25Å; F82-F144 HydrophobicContact CD2-CE2 4.39Å; F82-F144 AromaticContact CD2-CZ 3.62Å; F82-F144 HydrophobicContact CD2-CZ 3.62Å; F82-F144 AromaticContact CE1-CE1 3.73Å; F82-F144 HydrophobicContact CE1-CE1 3.73Å; F82-F144 HydrophobicContact CE1-CZ 4.01Å; F82-F144 AromaticContact CE2-CE1 3.94Å; F82-F144 HydrophobicContact CE2-CE1 3.94Å; F82-F144 AromaticContact CE2-CZ 3.7Å; F82-F144 HydrophobicContact CE2-CZ 3.7Å; F82-F144 HydrophobicContact CG-CE1 4.31Å; F82-F144 AromaticContact CG-CZ 3.75Å; F82-F144 HydrophobicContact CG-CZ 3.75Å; F82-F144 AromaticContact CZ-CE1 3.68Å; F82-F144 HydrophobicContact CZ-CE1 3.68Å; F82-F144 AromaticContact CZ-CZ 3.92Å; F82-F144 HydrophobicContact CZ-CZ 3.92Å; F82-H159 PolarHBondContact N-O 3.33Å; F82-L160 HydrophobicContact CB-CD2 3.65Å; F82-L160 HydrophobicContact CG-CD2 4.24Å; F82-L160 CarbonylContact O-C 3.53Å; F82-L160 WeakPolarHBondContact O-CA 3.29Å; F82-I161 PolarHBondContact O-N 3.2Å |
| 83 | I | 98.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.3 | 176.7 | -57.4 | 165.9 | 0 | 0 | 0 | 108.2 | I81 M97 L100 V101 V104 V113 V114 V116 I161 | I81-I83 HydrophobicContact CG2-CG1 4.49Å; I83-M97 HydrophobicContact CB-CE 3.76Å; I83-M97 HydrophobicContact CG2-CE 3.32Å; I83-M97 HydrophobicContact CG2-SD 3.78Å; I83-L100 HydrophobicContact CD1-CG 4.27Å; I83-L100 HydrophobicContact CG2-CD2 3.6Å; I83-L100 HydrophobicContact CG2-CG 4.41Å; I83-V101 HydrophobicContact CD1-CB 4.39Å; I83-V101 HydrophobicContact CD1-CG2 3.77Å; I83-V104 HydrophobicContact CD1-CB 4.46Å; I83-V104 HydrophobicContact CD1-CG2 4.26Å; I83-V113 HydrophobicContact CD1-CG1 3.97Å; I83-V114 PolarHBondContact N-O 2.54Å; I83-V116 PolarHBondContact O-N 3.24Å; I83-I161 WeakPolarHBondContact CA-O 3.47Å; I83-I161 HydrophobicContact CG1-CB 4.47Å; I83-I161 HydrophobicContact CG1-CD1 4.42Å |
| 84 | I | 98.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 115.3 | -170.2 | -49.1 | 172.7 | 0 | 0 | 0 | 108.6 | V116 I140 L160 I161 G162 Y163 V169 A170 | I84-V116 HydrophobicContact CG1-CB 4.13Å; I84-V116 HydrophobicContact CG1-CG2 3.94Å; I84-I140 HydrophobicContact CD1-CD1 3.8Å; I84-I140 HydrophobicContact CG1-CD1 4.45Å; I84-L160 HydrophobicContact CD1-CB 4.48Å; I84-I161 PolarHBondContact N-O 3.06Å; I84-G162 WeakPolarHBondContact O-CA 3.45Å; I84-Y163 PolarHBondContact O-N 2.87Å; I84-V169 HydrophobicContact CD1-CG1 4.34Å; I84-V169 HydrophobicContact CG2-CB 4.07Å; I84-V169 HydrophobicContact CG2-CG1 3.8Å; I84-A170 HydrophobicContact CD1-CB 3.95Å |
| 85 | H | 97.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | trans | -77.1 | 170.8 | -179.8 | 69.9 | 86.4 | 0 | 0 | 0 | 112.6 | F93 W96 V116 W118 G166 | H85-F93 AromaticContact CD2-CE1 3.47Å; H85-F93 VanDerWaalsContact CD2-CE1 3.47Å; H85-F93 WeakPolarHBondContact CD2-CE1 3.4Å; H85-F93 AromaticContact NE2-CE1 3.8Å; H85-W96 HydrophobicContact CB-CH2 4.03Å; H85-W96 HydrophobicContact CB-CZ2 4.34Å; H85-V116 PolarHBondContact CD2-O 2.93Å; H85-W118 AromaticContact CD2-CD1 3.63Å; H85-W118 AromaticContact CD2-NE1 3.78Å; H85-W118 AromaticContact CE1-CD1 3.41Å; H85-W118 VanDerWaalsContact CE1-CD1 3.41Å; H85-W118 AromaticContact CE1-CE2 3.87Å; H85-W118 AromaticContact CE1-CG 3.92Å; H85-W118 AromaticContact CE1-NE1 3.36Å; H85-W118 PolarHBondContact CE1-NE1 2.88Å; H85-W118 AromaticContact CG-NE1 3.79Å; H85-W118 AromaticContact ND1-CD1 3.98Å; H85-W118 AromaticContact ND1-NE1 3.52Å; H85-W118 AromaticContact NE2-CD1 3.17Å; H85-W118 AromaticContact NE2-CG 3.84Å; H85-W118 PolarHBondContact NE2-N 3.15Å; H85-W118 VanDerWaalsContact NE2-N 3.15Å; H85-W118 AromaticContact NE2-NE1 3.55Å; H85-W118 WeakPolarHBondContact O-CZ2 3.39Å; H85-W118 PolarHBondContact O-NE1 2.92Å; H85-G166 VanDerWaalsContact O-CA 3.25Å; H85-G166 WeakPolarHBondContact O-CA 3.5Å; H85-G166 PolarHBondContact O-N 2.93Å | ||
| 86 | G | 95 | Very high | 90.8 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | trans | -101.1 | -161.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y163 | G86-Y163 VanDerWaalsContact CA-O 3.3Å; G86-Y163 WeakPolarHBondContact CA-O 3.34Å; G86-Y163 PolarHBondContact N-O 3.21Å | ||
| 87 | W | 93.5 | Very high | 90.7 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | trans | -64.1 | 145.1 | 173.4 | -178.2 | 71.2 | 0 | 0 | 0 | 112 | M89 Q124 Y126 L165 M261 | W87-M89 HydrophobicContact CH2-CG 3.36Å; W87-M89 HydrophobicContact CH2-SD 3.93Å; W87-M89 HydrophobicContact CZ2-CG 3.37Å; W87-M89 HydrophobicContact CZ2-SD 3.29Å; W87-M89 WeakPolarHBondContact CZ2-SD 3.34Å; W87-M89 HydrophobicContact CZ3-CG 4.13Å; W87-Q124 PolarHBondContact NE1-O 3.23Å; W87-Y126 HydrophobicContact CD2-CD2 4.13Å; W87-Y126 HydrophobicContact CG-CD2 4.11Å; W87-L165 HydrophobicContact CB-CD1 3.69Å; W87-L165 HydrophobicContact CB-CG 4.1Å; W87-L165 HydrophobicContact CG-CD1 4.42Å; W87-M261 HydrophobicContact CZ3-CE 4.4Å | ||
| 88 | T | 85.4 | Confident | 90.5 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | trans | -154 | 144.3 | 173.4 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | S90 M119 Q123 | T88-S90 PolarHBondContact OG1-N 3.43Å; T88-S90 PolarHBondContact OG1-OG 3.38Å; T88-M119 HydrophobicContact CG2-CE 4.24Å; T88-M119 HydrophobicContact CG2-SD 3.24Å; T88-M119 WeakPolarHBondContact CG2-SD 3.29Å; T88-Q123 VanDerWaalsContact O-CA 3.28Å; T88-Q123 WeakPolarHBondContact O-CA 3.33Å; T88-Q123 WeakPolarHBondContact O-CG 3.38Å | ||
| 89 | M | 78.4 | Confident | 90.3 | Very high | 99 Ų | 99 | 40.2 Ų | 40.2 | 49% | 0.488 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -93.5 | -17.6 | 173.4 | -71.2 | -60.7 | -58.2 | 0 | 0 | 113.5 | W87 | W87-M89 HydrophobicContact CH2-CG 3.36Å; W87-M89 HydrophobicContact CH2-SD 3.93Å; W87-M89 HydrophobicContact CZ2-CG 3.37Å; W87-M89 HydrophobicContact CZ2-SD 3.29Å; W87-M89 WeakPolarHBondContact CZ2-SD 3.34Å; W87-M89 HydrophobicContact CZ3-CG 4.13Å |
| 90 | S | 80.3 | Confident | 90.2 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 43% | 0.434 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -82.1 | -18.6 | -174.8 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | T88 I92 | T88-S90 PolarHBondContact OG1-N 3.43Å; T88-S90 PolarHBondContact OG1-OG 3.38Å; S90-I92 PolarHBondContact O-N 3.11Å; S90-I92 WeakPolarHBondContact OG-CG1 3.46Å; S90-I92 PolarHBondContact OG-O 3.3Å |
| 91 | G | 80.1 | Confident | 90 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 23% | 0.227 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 69.6 | 11.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M119 | G91-M119 VanDerWaalsContact C-SD 3.51Å; G91-M119 WeakPolarHBondContact O-CG 3.4Å |
| 92 | I | 82.4 | Confident | 89.8 | Confident | 117 Ų | 117 | 37.4 Ų | 37.4 | 60% | 0.6 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -126.6 | 151.3 | 177.7 | 60.2 | 170.7 | 0 | 0 | 0 | 110 | S90 | S90-I92 PolarHBondContact O-N 3.11Å; S90-I92 WeakPolarHBondContact OG-CG1 3.46Å; S90-I92 PolarHBondContact OG-O 3.3Å |
| 93 | F | 84.6 | Confident | 89.7 | Confident | 68 Ų | 68 | 37.6 Ų | 37.6 | 30% | 0.298 | 20% | 0.198 | S | C | . | . | trans | -62.5 | 138.2 | 172.7 | -65.8 | -53 | 0 | 0 | 0 | 110.9 | H85 M97 V115 D117 M119 | H85-F93 AromaticContact CD2-CE1 3.47Å; H85-F93 VanDerWaalsContact CD2-CE1 3.47Å; H85-F93 WeakPolarHBondContact CD2-CE1 3.4Å; H85-F93 AromaticContact NE2-CE1 3.8Å; F93-M97 HydrophobicContact CB-CB 4.24Å; F93-M97 HydrophobicContact CB-CG 4.43Å; F93-M97 HydrophobicContact CD1-CG 4.48Å; F93-M97 HydrophobicContact CG-CG 4.43Å; F93-V115 HydrophobicContact CZ-CG1 4.25Å; F93-D117 HydrophobicContact CZ-CB 3.89Å; F93-M119 HydrophobicContact CD1-CE 3.55Å; F93-M119 HydrophobicContact CE1-CE 3.57Å; F93-M119 HydrophobicContact CG-CE 4.15Å; F93-M119 HydrophobicContact CZ-CE 4.21Å | ||
| 94 | E | 82.8 | Confident | 89.6 | Confident | 31 Ų | 31 | 37.5 Ų | 37.5 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | trans | -77.2 | 155.5 | 175.6 | -66.7 | -178.3 | 146.5 | 0 | 0 | 110.7 | W96 M97 K265 | E94-W96 VanDerWaalsContact CB-CD1 3.41Å; E94-W96 HydrophobicContact CB-CG 4.3Å; E94-W96 VanDerWaalsContact CB-NE1 3.29Å; E94-W96 PolarHBondContact O-N 3.36Å; E94-W96 PolarHBondContact OE2-NE1 2.77Å; E94-M97 VanDerWaalsContact O-CB 3.25Å; E94-M97 WeakPolarHBondContact O-CB 3.28Å; E94-M97 PolarHBondContact O-N 2.95Å; E94-K265 WeakPolarHBondContact OE1-CE 3.22Å; E94-K265 IonicContact OE1-NZ 3.53Å; E94-K265 PolarHBondContact OE1-NZ 3Å | ||
| 95 | T | 85.3 | Confident | 89.4 | Confident | 95 Ų | 95 | 39 Ų | 39 | 58% | 0.583 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -60.9 | -24.1 | -173.7 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | M97 H98 | T95-M97 PolarHBondContact O-N 2.82Å; T95-H98 PolarHBondContact O-N 2.8Å |
| 96 | W | 87.8 | Confident | 89.2 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -27.6 | 175.5 | 67.4 | -107.1 | 0 | 0 | 0 | 112.2 | H85 E94 K99 L100 Y163 E269 V272 | H85-W96 HydrophobicContact CB-CH2 4.03Å; H85-W96 HydrophobicContact CB-CZ2 4.34Å; E94-W96 VanDerWaalsContact CB-CD1 3.41Å; E94-W96 HydrophobicContact CB-CG 4.3Å; E94-W96 VanDerWaalsContact CB-NE1 3.29Å; E94-W96 PolarHBondContact O-N 3.36Å; E94-W96 PolarHBondContact OE2-NE1 2.77Å; W96-K99 PolarHBondContact O-N 2.92Å; W96-L100 HydrophobicContact CE3-CB 4.46Å; W96-L100 HydrophobicContact CE3-CD2 4.44Å; W96-L100 HydrophobicContact CZ3-CD2 4.13Å; W96-L100 WeakPolarHBondContact O-CB 3.36Å; W96-L100 PolarHBondContact O-N 3.06Å; W96-Y163 AromaticContact CE2-CD1 3.83Å; W96-Y163 AromaticContact CE2-CE1 3.84Å; W96-Y163 AromaticContact CH2-CD1 3.77Å; W96-Y163 HydrophobicContact CH2-CD1 3.77Å; W96-Y163 HydrophobicContact CH2-CG 4.16Å; W96-Y163 AromaticContact CZ2-CD1 3.27Å; W96-Y163 HydrophobicContact CZ2-CD1 3.27Å; W96-Y163 AromaticContact CZ2-CE1 3.68Å; W96-Y163 HydrophobicContact CZ2-CE1 3.68Å; W96-Y163 HydrophobicContact CZ2-CG 4.05Å; W96-Y163 AromaticContact NE1-CE1 3.78Å; W96-E269 VanDerWaalsContact CD1-CD 3.46Å; W96-V272 HydrophobicContact CB-CG1 4.11Å; W96-V272 HydrophobicContact CD2-CG1 4.09Å; W96-V272 HydrophobicContact CD2-CG2 4.07Å; W96-V272 HydrophobicContact CE3-CB 4.35Å; W96-V272 HydrophobicContact CE3-CG1 3.55Å; W96-V272 HydrophobicContact CE3-CG2 3.98Å; W96-V272 HydrophobicContact CG-CG1 4.33Å; W96-V272 HydrophobicContact CG-CG2 4.43Å; W96-V272 HydrophobicContact CZ3-CG1 4.38Å |
| 97 | M | 90.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 179.9 | -171.6 | 66.3 | -162.7 | 0 | 0 | 110.8 | L54 I83 F93 E94 T95 K99 L100 V101 V115 | L54-M97 HydrophobicContact CD1-CG 4.49Å; I83-M97 HydrophobicContact CB-CE 3.76Å; I83-M97 HydrophobicContact CG2-CE 3.32Å; I83-M97 HydrophobicContact CG2-SD 3.78Å; F93-M97 HydrophobicContact CB-CB 4.24Å; F93-M97 HydrophobicContact CB-CG 4.43Å; F93-M97 HydrophobicContact CD1-CG 4.48Å; F93-M97 HydrophobicContact CG-CG 4.43Å; E94-M97 VanDerWaalsContact O-CB 3.25Å; E94-M97 WeakPolarHBondContact O-CB 3.28Å; E94-M97 PolarHBondContact O-N 2.95Å; T95-M97 PolarHBondContact O-N 2.82Å; M97-K99 VanDerWaalsContact C-N 3.32Å; M97-K99 PolarHBondContact O-N 3.5Å; M97-L100 PolarHBondContact O-N 3.38Å; M97-V101 HydrophobicContact CE-CG2 3.51Å; M97-V101 HydrophobicContact CG-CG2 4.43Å; M97-V101 VanDerWaalsContact O-CG2 3.3Å; M97-V101 WeakPolarHBondContact O-CG2 3.47Å; M97-V101 PolarHBondContact O-N 3.2Å; M97-V101 HydrophobicContact SD-CG2 4.46Å; M97-V115 HydrophobicContact CE-CB 3.97Å; M97-V115 HydrophobicContact CE-CG1 3.45Å; M97-V115 VanDerWaalsContact CE-CG1 3.45Å; M97-V115 HydrophobicContact CE-CG2 3.42Å; M97-V115 VanDerWaalsContact CE-CG2 3.42Å |
| 98 | H | 89.9 | Confident | 89.3 | Confident | 72 Ų | 72 | 45 Ų | 45 | 33% | 0.333 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 174.8 | -63.8 | -104.8 | 0 | 0 | 0 | 111.5 | L54 T95 S102 | L54-H98 VanDerWaalsContact CB-CE1 3.43Å; L54-H98 WeakPolarHBondContact CB-CE1 3.33Å; L54-H98 VanDerWaalsContact CB-ND1 3.3Å; L54-H98 WeakPolarHBondContact CB-ND1 3.21Å; L54-H98 VanDerWaalsContact CD1-CA 3.47Å; L54-H98 HydrophobicContact CD1-CB 3.98Å; L54-H98 WeakPolarHBondContact CD1-ND1 3.32Å; L54-H98 HydrophobicContact CG-CB 4.32Å; L54-H98 WeakPolarHBondContact CG-ND1 3.27Å; T95-H98 PolarHBondContact O-N 2.8Å; H98-S102 WeakPolarHBondContact O-CB 3.25Å; H98-S102 PolarHBondContact O-N 3.09Å |
| 99 | K | 92.3 | Very high | 89.6 | Confident | 109 Ų | 109 | 51 Ų | 51 | 47% | 0.474 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 179.8 | -63.2 | 177 | -176 | 169.1 | 0 | 111.7 | W96 M97 A103 | W96-K99 PolarHBondContact O-N 2.92Å; M97-K99 VanDerWaalsContact C-N 3.32Å; M97-K99 PolarHBondContact O-N 3.5Å; K99-A103 VanDerWaalsContact O-CB 3.25Å; K99-A103 WeakPolarHBondContact O-CB 3.31Å; K99-A103 PolarHBondContact O-N 3.48Å |
| 100 | L | 95.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -52.2 | 179.5 | 179.4 | 60.6 | 0 | 0 | 0 | 111.8 | I83 W96 M97 S102 A103 V104 I161 L187 V272 F275 V276 L279 | I83-L100 HydrophobicContact CD1-CG 4.27Å; I83-L100 HydrophobicContact CG2-CD2 3.6Å; I83-L100 HydrophobicContact CG2-CG 4.41Å; W96-L100 HydrophobicContact CE3-CB 4.46Å; W96-L100 HydrophobicContact CE3-CD2 4.44Å; W96-L100 HydrophobicContact CZ3-CD2 4.13Å; W96-L100 WeakPolarHBondContact O-CB 3.36Å; W96-L100 PolarHBondContact O-N 3.06Å; M97-L100 PolarHBondContact O-N 3.38Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.84Å; L100-A103 PolarHBondContact O-N 3.4Å; L100-V104 HydrophobicContact CD1-CG2 4.03Å; L100-V104 HydrophobicContact CG-CG2 4.47Å; L100-V104 WeakPolarHBondContact O-CG2 3.48Å; L100-V104 PolarHBondContact O-N 3.47Å; L100-I161 HydrophobicContact CD2-CG2 4.13Å; L100-L187 HydrophobicContact CD2-CD1 4.31Å; L100-V272 HydrophobicContact CB-CG1 4.03Å; L100-V272 HydrophobicContact CD2-CG1 4.12Å; L100-V272 HydrophobicContact CG-CG1 4.47Å; L100-F275 HydrophobicContact CD1-CD1 3.68Å; L100-F275 HydrophobicContact CD1-CE1 4.18Å; L100-V276 HydrophobicContact CB-CG2 4.13Å; L100-V276 HydrophobicContact CD1-CG2 3.92Å; L100-L279 HydrophobicContact CD1-CD1 4.37Å |
| 101 | V | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.7 | -48.1 | 178.8 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | R49 L54 I83 M97 A103 V104 M105 V113 V115 | R49-V101 HydrophobicContact CB-CG1 4.41Å; R49-V101 HydrophobicContact CG-CG1 3.86Å; L54-V101 HydrophobicContact CD1-CG2 4.4Å; L54-V101 HydrophobicContact CD2-CB 4.04Å; L54-V101 HydrophobicContact CD2-CG1 3.72Å; L54-V101 HydrophobicContact CD2-CG2 4.37Å; I83-V101 HydrophobicContact CD1-CB 4.39Å; I83-V101 HydrophobicContact CD1-CG2 3.77Å; M97-V101 HydrophobicContact CE-CG2 3.51Å; M97-V101 HydrophobicContact CG-CG2 4.43Å; M97-V101 VanDerWaalsContact O-CG2 3.3Å; M97-V101 WeakPolarHBondContact O-CG2 3.47Å; M97-V101 PolarHBondContact O-N 3.2Å; M97-V101 HydrophobicContact SD-CG2 4.46Å; V101-A103 PolarHBondContact O-N 3.26Å; V101-V104 PolarHBondContact O-N 3.26Å; V101-M105 HydrophobicContact CG1-CG 4.26Å; V101-M105 HydrophobicContact CG1-SD 3.79Å; V101-M105 WeakPolarHBondContact O-CB 3.46Å; V101-M105 WeakPolarHBondContact O-CG 3.45Å; V101-M105 PolarHBondContact O-N 3.25Å; V101-V113 HydrophobicContact CG1-CG1 4.31Å; V101-V115 HydrophobicContact CG2-CG2 3.67Å |
| 102 | S | 94.1 | Very high | 91.9 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 19% | 0.189 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60 | -44.4 | 179.3 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | H98 L100 M105 Q106 | H98-S102 WeakPolarHBondContact O-CB 3.25Å; H98-S102 PolarHBondContact O-N 3.09Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.84Å; S102-M105 PolarHBondContact O-N 2.98Å; S102-Q106 WeakPolarHBondContact O-CB 3.21Å; S102-Q106 WeakPolarHBondContact O-CG 3.35Å; S102-Q106 PolarHBondContact O-N 3.24Å; S102-Q106 PolarHBondContact O-NE2 2.91Å; S102-Q106 PolarHBondContact OG-NE2 3.04Å |
| 103 | A | 95.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K99 L100 V101 R107 V276 L279 M280 | K99-A103 VanDerWaalsContact O-CB 3.25Å; K99-A103 WeakPolarHBondContact O-CB 3.31Å; K99-A103 PolarHBondContact O-N 3.48Å; L100-A103 PolarHBondContact O-N 3.4Å; V101-A103 PolarHBondContact O-N 3.26Å; A103-R107 VanDerWaalsContact O-CB 3.25Å; A103-R107 WeakPolarHBondContact O-CB 3.36Å; A103-R107 PolarHBondContact O-N 3.39Å; A103-V276 HydrophobicContact CB-CB 4.48Å; A103-V276 HydrophobicContact CB-CG1 3.9Å; A103-V276 HydrophobicContact CB-CG2 4.31Å; A103-L279 HydrophobicContact CB-CB 4.28Å; A103-L279 HydrophobicContact CB-CD1 3.81Å; A103-M280 HydrophobicContact CB-CG 3.99Å; A103-M280 HydrophobicContact CB-SD 3.84Å |
| 104 | V | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -48.7 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | I81 I83 L100 V101 Q106 R107 E108 V113 I161 L279 | I81-V104 HydrophobicContact CB-CG1 4.39Å; I81-V104 HydrophobicContact CD1-CG1 3.71Å; I81-V104 HydrophobicContact CG2-CG1 4.06Å; I83-V104 HydrophobicContact CD1-CB 4.46Å; I83-V104 HydrophobicContact CD1-CG2 4.26Å; L100-V104 HydrophobicContact CD1-CG2 4.03Å; L100-V104 HydrophobicContact CG-CG2 4.47Å; L100-V104 WeakPolarHBondContact O-CG2 3.48Å; L100-V104 PolarHBondContact O-N 3.47Å; V101-V104 PolarHBondContact O-N 3.26Å; V104-Q106 VanDerWaalsContact C-N 3.34Å; V104-Q106 PolarHBondContact O-N 3.05Å; V104-R107 PolarHBondContact O-N 3.07Å; V104-R107 VanDerWaalsContact O-N 3.14Å; V104-E108 PolarHBondContact O-N 3.33Å; V104-V113 HydrophobicContact CG1-CG1 4.22Å; V104-V113 HydrophobicContact CG1-CG2 3.82Å; V104-I161 HydrophobicContact CG2-CD1 4.16Å; V104-L279 HydrophobicContact CG2-CD1 3.65Å |
| 105 | M | 94.7 | Very high | 94 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 15% | 0.148 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -37.2 | 178.7 | -70.8 | -179.2 | 74.7 | 0 | 0 | 112.5 | R49 L52 V101 S102 R107 E108 N109 V113 | R49-M105 HydrophobicContact CB-CE 4.1Å; R49-M105 HydrophobicContact CB-SD 3.65Å; L52-M105 HydrophobicContact CD2-CB 3.64Å; L52-M105 HydrophobicContact CD2-SD 4.19Å; V101-M105 HydrophobicContact CG1-CG 4.26Å; V101-M105 HydrophobicContact CG1-SD 3.79Å; V101-M105 WeakPolarHBondContact O-CB 3.46Å; V101-M105 WeakPolarHBondContact O-CG 3.45Å; V101-M105 PolarHBondContact O-N 3.25Å; S102-M105 PolarHBondContact O-N 2.98Å; M105-R107 VanDerWaalsContact C-N 3.32Å; M105-E108 CarbonylContact O-C 3.55Å; M105-N109 VanDerWaalsContact O-CA 3.27Å; M105-N109 WeakPolarHBondContact O-CA 3.43Å; M105-N109 PolarHBondContact O-N 3.33Å; M105-V113 HydrophobicContact CG-CB 3.97Å; M105-V113 HydrophobicContact CG-CG1 4.14Å; M105-V113 HydrophobicContact CG-CG2 3.78Å |
| 106 | Q | 94.3 | Very high | 94.5 | Very high | 103 Ų | 103 | 35.9 Ų | 35.9 | 48% | 0.481 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.4 | -34.3 | 174.7 | -74.9 | 176.8 | 56.8 | 0 | 0 | 112 | L52 S102 V104 M280 | L52-Q106 HydrophobicContact CD1-CG 4.3Å; L52-Q106 HydrophobicContact CD2-CG 4.11Å; S102-Q106 WeakPolarHBondContact O-CB 3.21Å; S102-Q106 WeakPolarHBondContact O-CG 3.35Å; S102-Q106 PolarHBondContact O-N 3.24Å; S102-Q106 PolarHBondContact O-NE2 2.91Å; S102-Q106 PolarHBondContact OG-NE2 3.04Å; V104-Q106 VanDerWaalsContact C-N 3.34Å; V104-Q106 PolarHBondContact O-N 3.05Å; Q106-M280 HydrophobicContact CB-SD 4.46Å |
| 107 | R | 94.2 | Very high | 94.9 | Very high | 57 Ų | 57 | 37 Ų | 37 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -77.8 | -40.2 | -180 | 179.8 | 55.8 | -177.5 | -120.5 | -1.5 | 112.8 | A103 V104 M105 L279 K282 Y315 N316 | A103-R107 VanDerWaalsContact O-CB 3.25Å; A103-R107 WeakPolarHBondContact O-CB 3.36Å; A103-R107 PolarHBondContact O-N 3.39Å; V104-R107 PolarHBondContact O-N 3.07Å; V104-R107 VanDerWaalsContact O-N 3.14Å; M105-R107 VanDerWaalsContact C-N 3.32Å; R107-L279 HydrophobicContact CB-CB 4.35Å; R107-L279 HydrophobicContact CB-CD2 3.84Å; R107-L279 HydrophobicContact CG-CD2 3.69Å; R107-L279 PolarHBondContact NH1-O 3.45Å; R107-L279 VanDerWaalsContact NH1-O 3.09Å; R107-K282 VanDerWaalsContact CZ-CE 3.42Å; R107-Y315 HydrophobicContact CG-CD1 4.33Å; R107-Y315 HydrophobicContact CG-CE1 4.24Å; R107-N316 PolarHBondContact NH2-OD1 3.22Å |
| 108 | E | 94.8 | Very high | 95.2 | Very high | 36 Ų | 36 | 37 Ų | 37 | 17% | 0.168 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -123.5 | 72 | -176.3 | -59.2 | -69.1 | 148.9 | 0 | 0 | 108.5 | K79 I81 V104 M105 E110 A111 Y315 | K79-E108 WeakPolarHBondContact CD-OE2 3.18Å; K79-E108 IonicContact NZ-OE1 3.74Å; K79-E108 PolarHBondContact NZ-OE1 3.32Å; K79-E108 VanDerWaalsContact NZ-OE1 3.14Å; K79-E108 IonicContact NZ-OE2 2.92Å; K79-E108 PolarHBondContact NZ-OE2 2.84Å; I81-E108 HydrophobicContact CD1-CB 4.25Å; I81-E108 HydrophobicContact CD1-CG 4.09Å; V104-E108 PolarHBondContact O-N 3.33Å; M105-E108 CarbonylContact O-C 3.55Å; E108-E110 PolarHBondContact O-N 3.16Å; E108-A111 HydrophobicContact CB-CB 3.7Å; E108-A111 WeakPolarHBondContact O-CB 3.3Å; E108-A111 PolarHBondContact O-N 3.34Å; E108-A111 VanDerWaalsContact O-N 3.11Å; E108-Y315 HydrophobicContact CG-CE1 4.41Å; E108-Y315 WeakPolarHBondContact CG-OH 3.37Å; E108-Y315 VanDerWaalsContact OE1-CE1 3.22Å; E108-Y315 WeakPolarHBondContact OE1-CE1 3.48Å; E108-Y315 PolarHBondContact OE1-OH 3.44Å |
| 109 | N | 91.9 | Very high | 95.4 | Very high | 133 Ų | 133 | 34.3 Ų | 34.3 | 71% | 0.711 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.6 | -173.7 | 62.9 | -25.9 | 0 | 0 | 0 | 114.8 | M105 | M105-N109 VanDerWaalsContact O-CA 3.27Å; M105-N109 WeakPolarHBondContact O-CA 3.43Å; M105-N109 PolarHBondContact O-N 3.33Å |
| 110 | E | 93.9 | Very high | 95.5 | Very high | 148 Ų | 148 | 31.6 Ų | 31.6 | 69% | 0.692 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -2.3 | 178.3 | -66 | 176.9 | -178.5 | 0 | 0 | 113 | S78 E108 | S78-E110 WeakPolarHBondContact CB-O 3.43Å; S78-E110 PolarHBondContact OG-O 3.42Å; E108-E110 PolarHBondContact O-N 3.16Å |
| 111 | A | 96.9 | Very high | 95.5 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -78.8 | 149.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K79 I81 E108 V113 | K79-A111 HydrophobicContact CB-CB 4.08Å; K79-A111 CarbonylContact O-C 3.49Å; K79-A111 VanDerWaalsContact O-CA 3.24Å; K79-A111 WeakPolarHBondContact O-CA 3.32Å; K79-A111 WeakPolarHBondContact O-CB 3.43Å; I81-A111 HydrophobicContact CD1-CB 4.16Å; I81-A111 HydrophobicContact CG1-CB 4.42Å; E108-A111 HydrophobicContact CB-CB 3.7Å; E108-A111 WeakPolarHBondContact O-CB 3.3Å; E108-A111 PolarHBondContact O-N 3.34Å; E108-A111 VanDerWaalsContact O-N 3.11Å; A111-V113 HydrophobicContact CB-CG2 4.36Å; A111-V113 PolarHBondContact O-N 3.1Å |
| 112 | N | 97.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 103.6 | 165.5 | -46.7 | -63.4 | 0 | 0 | 0 | 108.1 | M48 F74 N75 K79 T80 I81 | M48-N112 HydrophobicContact CE-CB 3.94Å; M48-N112 VanDerWaalsContact CE-OD1 3.32Å; M48-N112 WeakPolarHBondContact CE-OD1 3.4Å; M48-N112 HydrophobicContact SD-CB 4.43Å; F74-N112 HydrophobicContact CD2-CB 3.95Å; F74-N112 HydrophobicContact CE2-CB 3.78Å; N75-N112 PolarHBondContact N-OD1 2.93Å; N75-N112 PolarHBondContact O-ND2 2.91Å; K79-N112 PolarHBondContact O-N 2.88Å; T80-N112 HydrophobicContact CG2-CB 4.32Å; T80-N112 PolarHBondContact OG1-ND2 3.2Å; I81-N112 PolarHBondContact N-O 2.85Å |
| 113 | V | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116 | 177.7 | -177 | 0 | 0 | 0 | 0 | 109.3 | M48 R49 I81 I83 V101 V104 M105 A111 | M48-V113 WeakPolarHBondContact CA-O 3.34Å; R49-V113 PolarHBondContact N-O 3.42Å; I81-V113 WeakPolarHBondContact O-CA 3.48Å; I83-V113 HydrophobicContact CD1-CG1 3.97Å; V101-V113 HydrophobicContact CG1-CG1 4.31Å; V104-V113 HydrophobicContact CG1-CG1 4.22Å; V104-V113 HydrophobicContact CG1-CG2 3.82Å; M105-V113 HydrophobicContact CG-CB 3.97Å; M105-V113 HydrophobicContact CG-CG1 4.14Å; M105-V113 HydrophobicContact CG-CG2 3.78Å; A111-V113 HydrophobicContact CB-CG2 4.36Å; A111-V113 PolarHBondContact O-N 3.1Å |
| 114 | V | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125.8 | -175.4 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | Y46 N47 M48 L61 I81 F82 I83 | Y46-V114 HydrophobicContact CD1-CG1 4.44Å; N47-V114 WeakPolarHBondContact O-CA 3.48Å; M48-V114 HydrophobicContact CB-CG2 4.15Å; M48-V114 HydrophobicContact CG-CG2 4.28Å; L61-V114 HydrophobicContact CD1-CG1 4.45Å; L61-V114 HydrophobicContact CD1-CG2 3.88Å; I81-V114 PolarHBondContact O-N 2.81Å; F82-V114 CarbonylContact C-O 3.48Å; F82-V114 VanDerWaalsContact CA-O 3.31Å; F82-V114 WeakPolarHBondContact CA-O 3.45Å; F82-V114 HydrophobicContact CD1-CB 3.63Å; F82-V114 HydrophobicContact CD1-CG1 4.35Å; F82-V114 HydrophobicContact CD1-CG2 3.9Å; F82-V114 HydrophobicContact CD2-CB 4.49Å; F82-V114 HydrophobicContact CD2-CG1 4.44Å; F82-V114 HydrophobicContact CE1-CB 3.61Å; F82-V114 HydrophobicContact CE1-CG1 4.1Å; F82-V114 HydrophobicContact CE1-CG2 3.48Å; F82-V114 VanDerWaalsContact CE1-CG2 3.48Å; F82-V114 HydrophobicContact CE2-CB 4.5Å; F82-V114 HydrophobicContact CE2-CG1 4.21Å; F82-V114 HydrophobicContact CG-CB 4.08Å; F82-V114 HydrophobicContact CZ-CB 4.07Å; F82-V114 HydrophobicContact CZ-CG1 4.03Å; F82-V114 HydrophobicContact CZ-CG2 4.08Å; I83-V114 PolarHBondContact N-O 2.54Å |
| 115 | V | 97 | Very high | 95 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 122.4 | 169.6 | 175.1 | 0 | 0 | 0 | 0 | 108.4 | N47 R49 F93 M97 V101 | N47-V115 HydrophobicContact CB-CB 4.41Å; N47-V115 PolarHBondContact N-O 2.99Å; N47-V115 PolarHBondContact O-N 3.36Å; R49-V115 HydrophobicContact CG-CG2 3.96Å; F93-V115 HydrophobicContact CZ-CG1 4.25Å; M97-V115 HydrophobicContact CE-CB 3.97Å; M97-V115 HydrophobicContact CE-CG1 3.45Å; M97-V115 VanDerWaalsContact CE-CG1 3.45Å; M97-V115 HydrophobicContact CE-CG2 3.42Å; M97-V115 VanDerWaalsContact CE-CG2 3.42Å; V101-V115 HydrophobicContact CG2-CG2 3.67Å |
| 116 | V | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 106.2 | 174.4 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | I44 Y46 F82 I83 I84 H85 I140 | I44-V116 HydrophobicContact CG2-CG1 3.82Å; Y46-V116 HydrophobicContact CD1-CG2 4.15Å; Y46-V116 HydrophobicContact CE1-CG1 4.25Å; Y46-V116 HydrophobicContact CE1-CG2 4.25Å; F82-V116 HydrophobicContact CB-CG2 4.23Å; F82-V116 HydrophobicContact CD2-CG2 3.55Å; F82-V116 HydrophobicContact CE2-CG2 4.31Å; F82-V116 HydrophobicContact CG-CG2 4.24Å; I83-V116 PolarHBondContact O-N 3.24Å; I84-V116 HydrophobicContact CG1-CB 4.13Å; I84-V116 HydrophobicContact CG1-CG2 3.94Å; H85-V116 PolarHBondContact CD2-O 2.93Å; V116-I140 HydrophobicContact CG1-CD1 3.95Å; V116-I140 HydrophobicContact CG1-CG1 4.2Å; V116-I140 HydrophobicContact CG2-CD1 4.43Å |
| 117 | D | 95.7 | Very high | 94.7 | Very high | 29 Ų | 29 | 41 Ų | 41 | 16% | 0.155 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 105.1 | 175.9 | 177.1 | 7.9 | 0 | 0 | 0 | 109.4 | I44 K45 F93 M119 | I44-D117 CarbonylContact C-O 3.58Å; I44-D117 WeakPolarHBondContact CA-O 3.41Å; K45-D117 HydrophobicContact CB-CB 4.17Å; K45-D117 PolarHBondContact N-O 2.87Å; K45-D117 PolarHBondContact O-N 2.72Å; F93-D117 HydrophobicContact CZ-CB 3.89Å; D117-M119 WeakPolarHBondContact OD1-CB 3.3Å; D117-M119 PolarHBondContact OD1-N 3.27Å |
| 118 | W | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -116.2 | 25.9 | 171.5 | 67.8 | -71.4 | 0 | 0 | 0 | 110.8 | I44 H85 P120 L121 A122 T133 V136 L165 V169 | I44-W118 HydrophobicContact CG1-CB 4.24Å; H85-W118 AromaticContact CD2-CD1 3.63Å; H85-W118 AromaticContact CD2-NE1 3.78Å; H85-W118 AromaticContact CE1-CD1 3.41Å; H85-W118 VanDerWaalsContact CE1-CD1 3.41Å; H85-W118 AromaticContact CE1-CE2 3.87Å; H85-W118 AromaticContact CE1-CG 3.92Å; H85-W118 AromaticContact CE1-NE1 3.36Å; H85-W118 PolarHBondContact CE1-NE1 2.88Å; H85-W118 AromaticContact CG-NE1 3.79Å; H85-W118 AromaticContact ND1-CD1 3.98Å; H85-W118 AromaticContact ND1-NE1 3.52Å; H85-W118 AromaticContact NE2-CD1 3.17Å; H85-W118 AromaticContact NE2-CG 3.84Å; H85-W118 PolarHBondContact NE2-N 3.15Å; H85-W118 VanDerWaalsContact NE2-N 3.15Å; H85-W118 AromaticContact NE2-NE1 3.55Å; H85-W118 WeakPolarHBondContact O-CZ2 3.39Å; H85-W118 PolarHBondContact O-NE1 2.92Å; W118-P120 VanDerWaalsContact C-N 3.33Å; W118-L121 HydrophobicContact CE3-CB 3.76Å; W118-L121 HydrophobicContact CZ3-CB 4.37Å; W118-L121 WeakPolarHBondContact O-CB 3.49Å; W118-L121 PolarHBondContact O-N 2.97Å; W118-A122 HydrophobicContact CD2-CB 3.79Å; W118-A122 HydrophobicContact CE3-CB 3.71Å; W118-A122 HydrophobicContact CH2-CB 3.69Å; W118-A122 HydrophobicContact CZ2-CB 3.77Å; W118-A122 VanDerWaalsContact CZ3-CA 3.48Å; W118-A122 HydrophobicContact CZ3-CB 3.66Å; W118-A122 PolarHBondContact O-N 3.15Å; W118-T133 HydrophobicContact CH2-CG2 4.34Å; W118-V136 HydrophobicContact CB-CG1 3.94Å; W118-V136 HydrophobicContact CB-CG2 4.11Å; W118-V136 HydrophobicContact CD2-CG1 4.34Å; W118-V136 HydrophobicContact CD2-CG2 4.18Å; W118-V136 HydrophobicContact CE3-CG2 3.76Å; W118-V136 HydrophobicContact CG-CG1 4Å; W118-V136 HydrophobicContact CG-CG2 4.35Å; W118-L165 HydrophobicContact CH2-CB 3.95Å; W118-L165 HydrophobicContact CH2-CD1 3.93Å; W118-L165 HydrophobicContact CZ2-CB 4.02Å; W118-V169 HydrophobicContact CZ2-CG2 4.4Å | ||
| 119 | M | 94.3 | Very high | 94.7 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -48 | -42.9 | -176.7 | -166.6 | 70.6 | 67.5 | 0 | 0 | 114.2 | T88 G91 F93 D117 L121 A122 Q123 | T88-M119 HydrophobicContact CG2-CE 4.24Å; T88-M119 HydrophobicContact CG2-SD 3.24Å; T88-M119 WeakPolarHBondContact CG2-SD 3.29Å; G91-M119 VanDerWaalsContact C-SD 3.51Å; G91-M119 WeakPolarHBondContact O-CG 3.4Å; F93-M119 HydrophobicContact CD1-CE 3.55Å; F93-M119 HydrophobicContact CE1-CE 3.57Å; F93-M119 HydrophobicContact CG-CE 4.15Å; F93-M119 HydrophobicContact CZ-CE 4.21Å; D117-M119 WeakPolarHBondContact OD1-CB 3.3Å; D117-M119 PolarHBondContact OD1-N 3.27Å; M119-L121 PolarHBondContact O-N 3.43Å; M119-L121 VanDerWaalsContact O-N 3.1Å; M119-A122 PolarHBondContact O-N 3.02Å; M119-Q123 VanDerWaalsContact O-CB 3.31Å; M119-Q123 WeakPolarHBondContact O-CB 3.25Å; M119-Q123 PolarHBondContact O-N 3.38Å |
| 120 | P | 93.9 | Very high | 94.9 | Very high | 51 Ų | 51 | 33.8 Ų | 33.8 | 33% | 0.331 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.3 | -23.3 | 179.7 | -23.8 | 35.6 | 0 | 0 | 0 | 114.3 | W118 Q124 | W118-P120 VanDerWaalsContact C-N 3.33Å; P120-Q124 PolarHBondContact O-NE2 3.25Å |
| 121 | L | 95.4 | Very high | 95 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -99.7 | -28.7 | -179.7 | -62.9 | 174.8 | 0 | 0 | 0 | 111.7 | V40 I44 W118 M119 Q124 H132 V136 | V40-L121 HydrophobicContact CG1-CD1 4.03Å; V40-L121 HydrophobicContact CG2-CD1 4.25Å; I44-L121 HydrophobicContact CG1-CD1 4.26Å; W118-L121 HydrophobicContact CE3-CB 3.76Å; W118-L121 HydrophobicContact CZ3-CB 4.37Å; W118-L121 WeakPolarHBondContact O-CB 3.49Å; W118-L121 PolarHBondContact O-N 2.97Å; M119-L121 PolarHBondContact O-N 3.43Å; M119-L121 VanDerWaalsContact O-N 3.1Å; L121-Q124 WeakPolarHBondContact O-CG 3.33Å; L121-H132 HydrophobicContact CB-CB 4.03Å; L121-H132 PolarHBondContact O-ND1 3.04Å; L121-H132 VanDerWaalsContact O-ND1 3.13Å; L121-V136 HydrophobicContact CD1-CG2 3.66Å |
| 122 | A | 94.2 | Very high | 95 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -77.8 | -29.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | W118 M119 Q124 | W118-A122 HydrophobicContact CD2-CB 3.79Å; W118-A122 HydrophobicContact CE3-CB 3.71Å; W118-A122 HydrophobicContact CH2-CB 3.69Å; W118-A122 HydrophobicContact CZ2-CB 3.77Å; W118-A122 VanDerWaalsContact CZ3-CA 3.48Å; W118-A122 HydrophobicContact CZ3-CB 3.66Å; W118-A122 PolarHBondContact O-N 3.15Å; M119-A122 PolarHBondContact O-N 3.02Å; A122-Q124 PolarHBondContact O-N 3.4Å; A122-Q124 VanDerWaalsContact O-N 3.12Å |
| 123 | Q | 93.4 | Very high | 95 | Very high | 87 Ų | 87 | 33.4 Ų | 33.4 | 41% | 0.407 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -87.3 | 51.8 | 179.4 | -163.9 | -161.8 | -10.1 | 0 | 0 | 112 | T88 M119 | T88-Q123 VanDerWaalsContact O-CA 3.28Å; T88-Q123 WeakPolarHBondContact O-CA 3.33Å; T88-Q123 WeakPolarHBondContact O-CG 3.38Å; M119-Q123 VanDerWaalsContact O-CB 3.31Å; M119-Q123 WeakPolarHBondContact O-CB 3.25Å; M119-Q123 PolarHBondContact O-N 3.38Å |
| 124 | Q | 91.8 | Very high | 95 | Very high | 70 Ų | 70 | 36.2 Ų | 36.2 | 33% | 0.327 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -120.8 | 176.9 | 177.3 | -59.6 | -61.8 | -27.2 | 0 | 0 | 109.8 | W87 P120 L121 A122 D128 A129 | W87-Q124 PolarHBondContact NE1-O 3.23Å; P120-Q124 PolarHBondContact O-NE2 3.25Å; L121-Q124 WeakPolarHBondContact O-CG 3.33Å; A122-Q124 PolarHBondContact O-N 3.4Å; A122-Q124 VanDerWaalsContact O-N 3.12Å; Q124-D128 HydrophobicContact CB-CB 3.86Å; Q124-A129 HydrophobicContact CB-CB 4.44Å |
| 125 | L | 90.8 | Very high | 95 | Very high | 115 Ų | 115 | 37.4 Ų | 37.4 | 60% | 0.602 | 20% | 0.199 | S | C | * | . | trans | -56.3 | 146.2 | 165.7 | -62.9 | 175.5 | 0 | 0 | 0 | 108.8 | D128 A129 | L125-D128 WeakPolarHBondContact O-CB 3.4Å; L125-D128 PolarHBondContact O-N 2.63Å; L125-A129 PolarHBondContact O-N 3.39Å | ||
| 126 | Y | 90.5 | Very high | 95.1 | Very high | 33 Ų | 33 | 37.1 Ų | 37.1 | 13% | 0.129 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.3 | -46.1 | -170.8 | -179.2 | -91.6 | 0 | 0 | 0 | 113.7 | W87 D128 A129 V130 L165 P192 M193 | W87-Y126 HydrophobicContact CD2-CD2 4.13Å; W87-Y126 HydrophobicContact CG-CD2 4.11Å; Y126-D128 VanDerWaalsContact C-N 3.33Å; Y126-D128 PolarHBondContact O-N 3.42Å; Y126-A129 PolarHBondContact O-N 2.99Å; Y126-V130 HydrophobicContact CD1-CG2 3.99Å; Y126-V130 HydrophobicContact CE1-CG2 3.52Å; Y126-V130 HydrophobicContact CE2-CG2 4.36Å; Y126-V130 WeakPolarHBondContact O-CG2 3.43Å; Y126-V130 PolarHBondContact O-N 2.75Å; Y126-L165 HydrophobicContact CE2-CD2 4.24Å; Y126-L165 HydrophobicContact CE2-CG 4.5Å; Y126-P192 HydrophobicContact CE1-CB 3.71Å; Y126-P192 HydrophobicContact CE1-CG 4.41Å; Y126-P192 WeakPolarHBondContact OH-CD 3.05Å; Y126-P192 PolarHBondContact OH-O 3.09Å; Y126-M193 HydrophobicContact CD1-SD 4.47Å; Y126-M193 HydrophobicContact CE1-SD 4.35Å |
| 127 | P | 94.1 | Very high | 95.1 | Very high | 54 Ų | 54 | 37.1 Ų | 37.1 | 35% | 0.351 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.2 | -37.5 | 176.4 | -23.8 | 35.8 | 0 | 0 | 0 | 113.8 | V130 N131 M193 | P127-V130 WeakPolarHBondContact O-CB 3.34Å; P127-V130 PolarHBondContact O-N 3.24Å; P127-N131 VanDerWaalsContact O-CG 3.28Å; P127-N131 PolarHBondContact O-N 3.09Å; P127-N131 PolarHBondContact O-ND2 2.98Å; P127-M193 HydrophobicContact CB-CE 4.31Å; P127-M193 HydrophobicContact CB-SD 4.02Å; P127-M193 HydrophobicContact CG-SD 4.35Å |
| 128 | D | 93.8 | Very high | 95.2 | Very high | 65 Ų | 65 | 37 Ų | 37 | 35% | 0.348 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.5 | -43.2 | 177.6 | -58.3 | -31.2 | 0 | 0 | 0 | 110.5 | Q124 L125 Y126 V130 N131 H132 | Q124-D128 HydrophobicContact CB-CB 3.86Å; L125-D128 WeakPolarHBondContact O-CB 3.4Å; L125-D128 PolarHBondContact O-N 2.63Å; Y126-D128 VanDerWaalsContact C-N 3.33Å; Y126-D128 PolarHBondContact O-N 3.42Å; D128-V130 VanDerWaalsContact C-N 3.3Å; D128-V130 PolarHBondContact O-N 3.36Å; D128-N131 PolarHBondContact O-N 3.14Å; D128-H132 VanDerWaalsContact O-CG 3.28Å; D128-H132 PolarHBondContact O-N 3.43Å; D128-H132 PolarHBondContact O-ND1 3.45Å; D128-H132 VanDerWaalsContact O-ND1 3.13Å |
| 129 | A | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q124 L125 Y126 H132 T133 L165 | Q124-A129 HydrophobicContact CB-CB 4.44Å; L125-A129 PolarHBondContact O-N 3.39Å; Y126-A129 PolarHBondContact O-N 2.99Å; A129-H132 PolarHBondContact O-N 2.8Å; A129-T133 WeakPolarHBondContact O-CG2 3.44Å; A129-T133 PolarHBondContact O-N 2.89Å; A129-L165 HydrophobicContact CB-CD1 3.84Å |
| 130 | V | 95.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 171.3 | 168 | 0 | 0 | 0 | 0 | 110.4 | Y126 P127 D128 H132 T133 L165 M193 F194 | Y126-V130 HydrophobicContact CD1-CG2 3.99Å; Y126-V130 HydrophobicContact CE1-CG2 3.52Å; Y126-V130 HydrophobicContact CE2-CG2 4.36Å; Y126-V130 WeakPolarHBondContact O-CG2 3.43Å; Y126-V130 PolarHBondContact O-N 2.75Å; P127-V130 WeakPolarHBondContact O-CB 3.34Å; P127-V130 PolarHBondContact O-N 3.24Å; D128-V130 VanDerWaalsContact C-N 3.3Å; D128-V130 PolarHBondContact O-N 3.36Å; V130-H132 PolarHBondContact O-N 2.71Å; V130-T133 WeakPolarHBondContact O-CB 3.33Å; V130-T133 WeakPolarHBondContact O-CG2 3.25Å; V130-T133 PolarHBondContact O-N 3.02Å; V130-T133 PolarHBondContact O-OG1 3.2Å; V130-L165 HydrophobicContact CG2-CD1 4.49Å; V130-L165 HydrophobicContact CG2-CD2 3.84Å; V130-M193 HydrophobicContact CB-CE 4.5Å; V130-M193 HydrophobicContact CB-SD 4.14Å; V130-M193 HydrophobicContact CG1-CB 4Å; V130-M193 HydrophobicContact CG1-CE 4.07Å; V130-M193 HydrophobicContact CG1-SD 4.1Å; V130-M193 HydrophobicContact CG2-CB 4.46Å; V130-M193 HydrophobicContact CG2-SD 4.06Å; V130-F194 HydrophobicContact CG1-CE2 3.98Å; V130-F194 HydrophobicContact CG1-CZ 3.88Å; V130-F194 HydrophobicContact CG2-CE2 4.07Å |
| 131 | N | 95.3 | Very high | 95.7 | Very high | 107 Ų | 107 | 35.2 Ų | 35.2 | 57% | 0.572 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -61.3 | -32.2 | -179.9 | -69.9 | -19.7 | 0 | 0 | 0 | 112.6 | P127 D128 T133 | P127-N131 VanDerWaalsContact O-CG 3.28Å; P127-N131 PolarHBondContact O-N 3.09Å; P127-N131 PolarHBondContact O-ND2 2.98Å; D128-N131 PolarHBondContact O-N 3.14Å; N131-T133 VanDerWaalsContact C-N 3.3Å; N131-T133 PolarHBondContact O-N 3.07Å |
| 132 | H | 97.1 | Very high | 95.8 | Very high | 51 Ų | 51 | 40 Ų | 40 | 24% | 0.236 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.4 | -18.7 | 175.5 | -62.5 | 143.3 | 0 | 0 | 0 | 114.2 | L121 D128 A129 V130 L134 A135 V136 | L121-H132 HydrophobicContact CB-CB 4.03Å; L121-H132 PolarHBondContact O-ND1 3.04Å; L121-H132 VanDerWaalsContact O-ND1 3.13Å; D128-H132 VanDerWaalsContact O-CG 3.28Å; D128-H132 PolarHBondContact O-N 3.43Å; D128-H132 PolarHBondContact O-ND1 3.45Å; D128-H132 VanDerWaalsContact O-ND1 3.13Å; A129-H132 PolarHBondContact O-N 2.8Å; V130-H132 PolarHBondContact O-N 2.71Å; H132-L134 VanDerWaalsContact C-N 3.3Å; H132-L134 PolarHBondContact O-N 2.91Å; H132-A135 PolarHBondContact O-N 3.01Å; H132-V136 VanDerWaalsContact O-CG2 3.29Å; H132-V136 WeakPolarHBondContact O-CG2 3.47Å; H132-V136 PolarHBondContact O-N 3.15Å |
| 133 | T | 98.2 | Very high | 96 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.6 | -38.6 | -174 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | W118 A129 V130 N131 G137 L165 V169 F172 F194 | W118-T133 HydrophobicContact CH2-CG2 4.34Å; A129-T133 WeakPolarHBondContact O-CG2 3.44Å; A129-T133 PolarHBondContact O-N 2.89Å; V130-T133 WeakPolarHBondContact O-CB 3.33Å; V130-T133 WeakPolarHBondContact O-CG2 3.25Å; V130-T133 PolarHBondContact O-N 3.02Å; V130-T133 PolarHBondContact O-OG1 3.2Å; N131-T133 VanDerWaalsContact C-N 3.3Å; N131-T133 PolarHBondContact O-N 3.07Å; T133-G137 PolarHBondContact O-N 3.33Å; T133-L165 HydrophobicContact CG2-CB 4.04Å; T133-L165 HydrophobicContact CG2-CD1 4.34Å; T133-L165 HydrophobicContact CG2-CD2 4.28Å; T133-L165 HydrophobicContact CG2-CG 4.47Å; T133-V169 HydrophobicContact CG2-CG2 3.87Å; T133-F172 WeakPolarHBondContact OG1-CE2 3.27Å; T133-F194 HydrophobicContact CG2-CZ 4.34Å |
| 134 | L | 97.5 | Very high | 96.2 | Very high | 60 Ų | 60 | 35.9 Ų | 35.9 | 31% | 0.314 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.8 | -51.6 | 175.8 | 173.4 | 61.1 | 0 | 0 | 0 | 111 | H132 V136 G137 V138 F172 Y176 | H132-L134 VanDerWaalsContact C-N 3.3Å; H132-L134 PolarHBondContact O-N 2.91Å; L134-V136 VanDerWaalsContact C-N 3.31Å; L134-V136 PolarHBondContact O-N 3.36Å; L134-G137 PolarHBondContact O-N 3.02Å; L134-G137 VanDerWaalsContact O-N 3.14Å; L134-V138 HydrophobicContact CD1-CG2 4.14Å; L134-V138 WeakPolarHBondContact O-CG2 3.3Å; L134-V138 PolarHBondContact O-N 3.12Å; L134-F172 HydrophobicContact CB-CD2 4.38Å; L134-F172 HydrophobicContact CB-CE1 4.48Å; L134-F172 HydrophobicContact CB-CE2 4.28Å; L134-F172 HydrophobicContact CB-CZ 4.32Å; L134-F172 HydrophobicContact CD1-CB 4.47Å; L134-F172 HydrophobicContact CD1-CD1 3.57Å; L134-F172 HydrophobicContact CD1-CE1 3.84Å; L134-F172 HydrophobicContact CD1-CG 4.01Å; L134-F172 HydrophobicContact CD1-CZ 4.5Å; L134-Y176 HydrophobicContact CD1-CD2 4.32Å; L134-Y176 HydrophobicContact CD1-CE2 3.45Å; L134-Y176 VanDerWaalsContact CD1-CE2 3.45Å |
| 135 | A | 97.4 | Very high | 96.5 | Very high | 25 Ų | 25 | 33.5 Ų | 33.5 | 21% | 0.207 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -36.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V40 H132 D139 | V40-A135 HydrophobicContact CG2-CB 3.69Å; H132-A135 PolarHBondContact O-N 3.01Å; A135-D139 PolarHBondContact O-N 2.84Å; A135-D139 VanDerWaalsContact O-N 3.07Å |
| 136 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 172.4 | -179.9 | 0 | 0 | 0 | 0 | 111 | I44 W118 L121 H132 L134 V138 D139 I140 V169 | I44-V136 HydrophobicContact CD1-CB 4.09Å; I44-V136 HydrophobicContact CD1-CG1 3.9Å; I44-V136 HydrophobicContact CD1-CG2 3.98Å; I44-V136 HydrophobicContact CG1-CG1 4.49Å; I44-V136 HydrophobicContact CG1-CG2 4.48Å; W118-V136 HydrophobicContact CB-CG1 3.94Å; W118-V136 HydrophobicContact CB-CG2 4.11Å; W118-V136 HydrophobicContact CD2-CG1 4.34Å; W118-V136 HydrophobicContact CD2-CG2 4.18Å; W118-V136 HydrophobicContact CE3-CG2 3.76Å; W118-V136 HydrophobicContact CG-CG1 4Å; W118-V136 HydrophobicContact CG-CG2 4.35Å; L121-V136 HydrophobicContact CD1-CG2 3.66Å; H132-V136 VanDerWaalsContact O-CG2 3.29Å; H132-V136 WeakPolarHBondContact O-CG2 3.47Å; H132-V136 PolarHBondContact O-N 3.15Å; L134-V136 VanDerWaalsContact C-N 3.31Å; L134-V136 PolarHBondContact O-N 3.36Å; V136-V138 VanDerWaalsContact C-N 3.35Å; V136-V138 PolarHBondContact O-N 2.85Å; V136-D139 PolarHBondContact O-N 2.76Å; V136-I140 HydrophobicContact CG1-CD1 4.14Å; V136-I140 WeakPolarHBondContact O-CG1 3.49Å; V136-I140 PolarHBondContact O-N 3.04Å; V136-V169 HydrophobicContact CB-CG1 4.04Å; V136-V169 HydrophobicContact CB-CG2 4.29Å; V136-V169 HydrophobicContact CG1-CG1 3.51Å; V136-V169 HydrophobicContact CG1-CG2 4.31Å |
| 137 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T133 L134 D139 I140 A141 V169 A173 | T133-G137 PolarHBondContact O-N 3.33Å; L134-G137 PolarHBondContact O-N 3.02Å; L134-G137 VanDerWaalsContact O-N 3.14Å; G137-D139 VanDerWaalsContact C-N 3.34Å; G137-D139 PolarHBondContact O-N 3.49Å; G137-I140 PolarHBondContact O-N 3.1Å; G137-A141 PolarHBondContact O-N 3.34Å; G137-V169 WeakPolarHBondContact CA-O 3.34Å; G137-A173 VanDerWaalsContact O-CA 3.29Å; G137-A173 WeakPolarHBondContact O-CA 3.24Å; G137-A173 WeakPolarHBondContact O-CB 3.49Å |
| 138 | V | 98.1 | Very high | 97.2 | Very high | 27 Ų | 27 | 27.1 Ų | 27.1 | 16% | 0.164 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 175.4 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | L134 V136 A141 K142 Y176 | L134-V138 HydrophobicContact CD1-CG2 4.14Å; L134-V138 WeakPolarHBondContact O-CG2 3.3Å; L134-V138 PolarHBondContact O-N 3.12Å; V136-V138 VanDerWaalsContact C-N 3.35Å; V136-V138 PolarHBondContact O-N 2.85Å; V138-A141 PolarHBondContact O-N 2.96Å; V138-K142 WeakPolarHBondContact O-CG 3.11Å; V138-K142 PolarHBondContact O-N 2.91Å; V138-Y176 HydrophobicContact CG2-CD1 4.21Å; V138-Y176 HydrophobicContact CG2-CD2 3.75Å; V138-Y176 HydrophobicContact CG2-CE1 4.45Å; V138-Y176 HydrophobicContact CG2-CE2 4.05Å; V138-Y176 HydrophobicContact CG2-CG 3.85Å |
| 139 | D | 97.9 | Very high | 97.3 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 15% | 0.15 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 175.6 | -169.1 | -102.6 | 0 | 0 | 0 | 111.9 | I44 Y46 A135 V136 G137 A141 K142 M143 | I44-D139 HydrophobicContact CD1-CB 3.55Å; Y46-D139 WeakPolarHBondContact CE2-OD1 3.42Å; Y46-D139 VanDerWaalsContact OH-C 3.31Å; Y46-D139 PolarHBondContact OH-O 2.96Å; Y46-D139 PolarHBondContact OH-OD1 2.87Å; A135-D139 PolarHBondContact O-N 2.84Å; A135-D139 VanDerWaalsContact O-N 3.07Å; V136-D139 PolarHBondContact O-N 2.76Å; G137-D139 VanDerWaalsContact C-N 3.34Å; G137-D139 PolarHBondContact O-N 3.49Å; D139-A141 VanDerWaalsContact C-N 3.35Å; D139-A141 PolarHBondContact O-N 3.39Å; D139-K142 WeakPolarHBondContact O-CB 3.43Å; D139-K142 PolarHBondContact O-N 3.45Å; D139-M143 PolarHBondContact O-N 3.38Å |
| 140 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 175.3 | -62.3 | 169.2 | 0 | 0 | 0 | 110.8 | Y46 F82 I84 V116 V136 G137 K142 M143 F144 V169 A173 | Y46-I140 HydrophobicContact CE1-CG1 4Å; Y46-I140 WeakPolarHBondContact OH-CA 3.34Å; Y46-I140 PolarHBondContact OH-N 2.79Å; F82-I140 HydrophobicContact CD2-CG2 4.27Å; F82-I140 HydrophobicContact CE2-CG2 4.5Å; I84-I140 HydrophobicContact CD1-CD1 3.8Å; I84-I140 HydrophobicContact CG1-CD1 4.45Å; V116-I140 HydrophobicContact CG1-CD1 3.95Å; V116-I140 HydrophobicContact CG1-CG1 4.2Å; V116-I140 HydrophobicContact CG2-CD1 4.43Å; V136-I140 HydrophobicContact CG1-CD1 4.14Å; V136-I140 WeakPolarHBondContact O-CG1 3.49Å; V136-I140 PolarHBondContact O-N 3.04Å; G137-I140 PolarHBondContact O-N 3.1Å; I140-K142 VanDerWaalsContact C-N 3.34Å; I140-K142 PolarHBondContact O-N 3.32Å; I140-M143 WeakPolarHBondContact O-CB 3.07Å; I140-M143 PolarHBondContact O-N 3.14Å; I140-M143 VanDerWaalsContact O-N 3.16Å; I140-F144 HydrophobicContact CG2-CD2 3.89Å; I140-F144 HydrophobicContact CG2-CE2 3.37Å; I140-F144 HydrophobicContact CG2-CZ 4.14Å; I140-F144 WeakPolarHBondContact O-CD2 3.2Å; I140-F144 PolarHBondContact O-N 2.99Å; I140-V169 HydrophobicContact CD1-CG1 3.46Å; I140-V169 VanDerWaalsContact CD1-CG1 3.46Å; I140-A173 HydrophobicContact CB-CB 3.87Å; I140-A173 HydrophobicContact CG2-CB 3.71Å |
| 141 | A | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G137 V138 D139 M143 F144 D145 V177 | G137-A141 PolarHBondContact O-N 3.34Å; V138-A141 PolarHBondContact O-N 2.96Å; D139-A141 VanDerWaalsContact C-N 3.35Å; D139-A141 PolarHBondContact O-N 3.39Å; A141-M143 VanDerWaalsContact C-N 3.29Å; A141-M143 PolarHBondContact O-N 2.94Å; A141-F144 PolarHBondContact O-N 3.44Å; A141-F144 VanDerWaalsContact O-N 3.12Å; A141-D145 PolarHBondContact O-N 3.48Å; A141-V177 HydrophobicContact CB-CB 4.17Å |
| 142 | K | 97.6 | Very high | 96.9 | Very high | 102 Ų | 102 | 37.4 Ų | 37.4 | 44% | 0.443 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.2 | -36.2 | 174.7 | -71 | 172.2 | -177.9 | 176.1 | 0 | 112.5 | V138 D139 I140 W146 | V138-K142 WeakPolarHBondContact O-CG 3.11Å; V138-K142 PolarHBondContact O-N 2.91Å; D139-K142 WeakPolarHBondContact O-CB 3.43Å; D139-K142 PolarHBondContact O-N 3.45Å; I140-K142 VanDerWaalsContact C-N 3.34Å; I140-K142 PolarHBondContact O-N 3.32Å; K142-W146 WeakPolarHBondContact O-CB 3.44Å; K142-W146 PolarHBondContact O-N 3.39Å |
| 143 | M | 97.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 172.7 | 175.1 | 64.3 | 80.2 | 0 | 0 | 111.3 | Y46 L61 T63 F82 D139 I140 A141 W146 L147 | Y46-M143 HydrophobicContact CD1-CE 4.14Å; Y46-M143 HydrophobicContact CD1-CG 4.34Å; Y46-M143 HydrophobicContact CD2-CE 3.26Å; Y46-M143 HydrophobicContact CE1-CB 4.22Å; Y46-M143 HydrophobicContact CE1-CE 4.4Å; Y46-M143 HydrophobicContact CE1-CG 4.18Å; Y46-M143 HydrophobicContact CE2-CE 3.61Å; Y46-M143 HydrophobicContact CG-CE 3.56Å; L61-M143 HydrophobicContact CB-CE 3.96Å; L61-M143 HydrophobicContact CB-SD 4.41Å; T63-M143 HydrophobicContact CG2-CB 4.07Å; T63-M143 HydrophobicContact CG2-CE 3.78Å; T63-M143 HydrophobicContact CG2-SD 3.76Å; F82-M143 HydrophobicContact CE2-CG 4.33Å; F82-M143 HydrophobicContact CZ-CG 4.33Å; D139-M143 PolarHBondContact O-N 3.38Å; I140-M143 WeakPolarHBondContact O-CB 3.07Å; I140-M143 PolarHBondContact O-N 3.14Å; I140-M143 VanDerWaalsContact O-N 3.16Å; A141-M143 VanDerWaalsContact C-N 3.29Å; A141-M143 PolarHBondContact O-N 2.94Å; M143-W146 PolarHBondContact O-N 3.34Å; M143-W146 HydrophobicContact SD-CE3 3.56Å; M143-W146 VanDerWaalsContact SD-CE3 3.56Å; M143-W146 HydrophobicContact SD-CZ3 3.75Å; M143-L147 HydrophobicContact CG-CD1 4.11Å; M143-L147 VanDerWaalsContact O-CG 3.29Å; M143-L147 WeakPolarHBondContact O-CG 3.32Å; M143-L147 PolarHBondContact O-N 3.12Å; M143-L147 HydrophobicContact SD-CD1 4.24Å; M143-L147 HydrophobicContact SD-CG 4.25Å |
| 144 | F | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.7 | -43 | 177.6 | -70.2 | -51.5 | 0 | 0 | 0 | 113.2 | F82 I140 A141 W146 L147 Q148 L153 L155 V158 L160 V177 L181 | F82-F144 HydrophobicContact CB-CZ 4.46Å; F82-F144 HydrophobicContact CD1-CE1 4.03Å; F82-F144 AromaticContact CD1-CZ 3.92Å; F82-F144 HydrophobicContact CD1-CZ 3.92Å; F82-F144 HydrophobicContact CD2-CE1 4.25Å; F82-F144 HydrophobicContact CD2-CE2 4.39Å; F82-F144 AromaticContact CD2-CZ 3.62Å; F82-F144 HydrophobicContact CD2-CZ 3.62Å; F82-F144 AromaticContact CE1-CE1 3.73Å; F82-F144 HydrophobicContact CE1-CE1 3.73Å; F82-F144 HydrophobicContact CE1-CZ 4.01Å; F82-F144 AromaticContact CE2-CE1 3.94Å; F82-F144 HydrophobicContact CE2-CE1 3.94Å; F82-F144 AromaticContact CE2-CZ 3.7Å; F82-F144 HydrophobicContact CE2-CZ 3.7Å; F82-F144 HydrophobicContact CG-CE1 4.31Å; F82-F144 AromaticContact CG-CZ 3.75Å; F82-F144 HydrophobicContact CG-CZ 3.75Å; F82-F144 AromaticContact CZ-CE1 3.68Å; F82-F144 HydrophobicContact CZ-CE1 3.68Å; F82-F144 AromaticContact CZ-CZ 3.92Å; F82-F144 HydrophobicContact CZ-CZ 3.92Å; I140-F144 HydrophobicContact CG2-CD2 3.89Å; I140-F144 HydrophobicContact CG2-CE2 3.37Å; I140-F144 HydrophobicContact CG2-CZ 4.14Å; I140-F144 WeakPolarHBondContact O-CD2 3.2Å; I140-F144 PolarHBondContact O-N 2.99Å; A141-F144 PolarHBondContact O-N 3.44Å; A141-F144 VanDerWaalsContact O-N 3.12Å; F144-W146 VanDerWaalsContact C-N 3.26Å; F144-W146 PolarHBondContact O-N 2.8Å; F144-L147 HydrophobicContact CD1-CD1 4.24Å; F144-L147 PolarHBondContact O-N 3.07Å; F144-L147 VanDerWaalsContact O-N 3.13Å; F144-Q148 WeakPolarHBondContact O-CG 3.43Å; F144-Q148 PolarHBondContact O-N 2.61Å; F144-L153 HydrophobicContact CD1-CD2 4.05Å; F144-L155 HydrophobicContact CB-CD2 4.17Å; F144-V158 HydrophobicContact CD1-CG1 4.41Å; F144-V158 HydrophobicContact CD1-CG2 4.37Å; F144-V158 HydrophobicContact CE1-CG1 3.73Å; F144-V158 HydrophobicContact CE1-CG2 4.24Å; F144-V158 HydrophobicContact CE2-CG1 4.25Å; F144-V158 HydrophobicContact CZ-CG1 3.65Å; F144-L160 HydrophobicContact CE2-CD1 4.34Å; F144-L160 HydrophobicContact CE2-CD2 3.58Å; F144-L160 HydrophobicContact CZ-CD2 3.46Å; F144-L160 VanDerWaalsContact CZ-CD2 3.46Å; F144-V177 HydrophobicContact CB-CG2 3.67Å; F144-L181 HydrophobicContact CD2-CD2 4.25Å |
| 145 | D | 98.1 | Very high | 96.9 | Very high | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.2 | -46.3 | 173.1 | -80.2 | 6.1 | 0 | 0 | 0 | 110.7 | A141 Q148 E149 V177 K178 | A141-D145 PolarHBondContact O-N 3.48Å; D145-Q148 WeakPolarHBondContact O-CB 3.47Å; D145-Q148 PolarHBondContact O-N 3.42Å; D145-E149 WeakPolarHBondContact O-CG 3.38Å; D145-E149 PolarHBondContact O-N 3.47Å; D145-V177 WeakPolarHBondContact OD1-CG2 3.27Å; D145-K178 WeakPolarHBondContact OD1-CB 3.43Å; D145-K178 PolarHBondContact OD1-N 3.15Å; D145-K178 VanDerWaalsContact OD2-CD 3.31Å; D145-K178 WeakPolarHBondContact OD2-CD 3.12Å; D145-K178 WeakPolarHBondContact OD2-CE 3.47Å; D145-K178 WeakPolarHBondContact OD2-CG 3.03Å; D145-K178 IonicContact OD2-NZ 3.61Å; D145-K178 PolarHBondContact OD2-NZ 3.45Å |
| 146 | W | 97.3 | Very high | 96.9 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 8% | 0.08 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 177 | 174.3 | 69.4 | 0 | 0 | 0 | 112.5 | Q62 T63 G64 L69 K142 M143 F144 Q148 E149 E150 | Q62-W146 WeakPolarHBondContact O-CH2 3.17Å; T63-W146 HydrophobicContact CG2-CB 4.31Å; T63-W146 HydrophobicContact CG2-CD2 4.35Å; T63-W146 HydrophobicContact CG2-CE3 4.17Å; T63-W146 HydrophobicContact CG2-CG 4.41Å; G64-W146 VanDerWaalsContact N-NE1 3.17Å; L69-W146 HydrophobicContact CD1-CH2 3.74Å; L69-W146 HydrophobicContact CD1-CZ2 4.13Å; L69-W146 HydrophobicContact CD1-CZ3 4.3Å; L69-W146 HydrophobicContact CD2-CH2 3.76Å; L69-W146 HydrophobicContact CD2-CZ3 3.87Å; L69-W146 HydrophobicContact CG-CH2 3.72Å; L69-W146 HydrophobicContact CG-CZ2 4.46Å; L69-W146 HydrophobicContact CG-CZ3 4.32Å; K142-W146 WeakPolarHBondContact O-CB 3.44Å; K142-W146 PolarHBondContact O-N 3.39Å; M143-W146 PolarHBondContact O-N 3.34Å; M143-W146 HydrophobicContact SD-CE3 3.56Å; M143-W146 VanDerWaalsContact SD-CE3 3.56Å; M143-W146 HydrophobicContact SD-CZ3 3.75Å; F144-W146 VanDerWaalsContact C-N 3.26Å; F144-W146 PolarHBondContact O-N 2.8Å; W146-Q148 VanDerWaalsContact C-N 3.32Å; W146-Q148 PolarHBondContact O-N 3.01Å; W146-E149 PolarHBondContact O-N 2.86Å; W146-E150 HydrophobicContact CD2-CG 4.38Å; W146-E150 HydrophobicContact CG-CG 4.38Å; W146-E150 HydrophobicContact CZ2-CG 4.22Å; W146-E150 WeakPolarHBondContact O-CB 3.32Å; W146-E150 PolarHBondContact O-N 2.97Å |
| 147 | L | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -33.9 | 176 | -70.7 | 171.2 | 0 | 0 | 0 | 112.6 | L69 F74 M143 F144 H151 K152 L153 | L69-L147 HydrophobicContact CD1-CD2 4.29Å; L69-L147 HydrophobicContact CD2-CD2 3.6Å; F74-L147 HydrophobicContact CE1-CD2 4.15Å; F74-L147 HydrophobicContact CE2-CD1 4.47Å; F74-L147 HydrophobicContact CZ-CD1 4.2Å; F74-L147 HydrophobicContact CZ-CD2 4.17Å; M143-L147 HydrophobicContact CG-CD1 4.11Å; M143-L147 VanDerWaalsContact O-CG 3.29Å; M143-L147 WeakPolarHBondContact O-CG 3.32Å; M143-L147 PolarHBondContact O-N 3.12Å; M143-L147 HydrophobicContact SD-CD1 4.24Å; M143-L147 HydrophobicContact SD-CG 4.25Å; F144-L147 HydrophobicContact CD1-CD1 4.24Å; F144-L147 PolarHBondContact O-N 3.07Å; F144-L147 VanDerWaalsContact O-N 3.13Å; L147-H151 CarbonylContact O-C 3.52Å; L147-H151 WeakPolarHBondContact O-CA 3.37Å; L147-H151 PolarHBondContact O-N 3Å; L147-K152 PolarHBondContact O-N 2.7Å; L147-L153 HydrophobicContact CB-CB 4.11Å; L147-L153 HydrophobicContact CB-CD2 3.78Å; L147-L153 HydrophobicContact CD1-CD2 3.99Å; L147-L153 PolarHBondContact O-N 3.14Å |
| 148 | Q | 96.6 | Very high | 96.8 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -46.2 | 171.7 | -74.5 | 172.3 | -99.5 | 0 | 0 | 111 | F144 D145 W146 K152 L153 L155 K178 | F144-Q148 WeakPolarHBondContact O-CG 3.43Å; F144-Q148 PolarHBondContact O-N 2.61Å; D145-Q148 WeakPolarHBondContact O-CB 3.47Å; D145-Q148 PolarHBondContact O-N 3.42Å; W146-Q148 VanDerWaalsContact C-N 3.32Å; W146-Q148 PolarHBondContact O-N 3.01Å; Q148-K152 VanDerWaalsContact O-CA 3.24Å; Q148-K152 WeakPolarHBondContact O-CA 3.43Å; Q148-K152 PolarHBondContact O-N 3.17Å; Q148-K152 VanDerWaalsContact O-N 3.13Å; Q148-L153 WeakPolarHBondContact CG-O 3.41Å; Q148-L155 HydrophobicContact CG-CD2 3.88Å; Q148-L155 HydrophobicContact CG-CG 4.09Å; Q148-K178 PolarHBondContact NE2-O 3.22Å; Q148-K178 VanDerWaalsContact NE2-O 3.08Å |
| 149 | E | 95.1 | Very high | 96.9 | Very high | 111 Ų | 111 | 42.4 Ų | 42.4 | 52% | 0.519 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.7 | -50.9 | -178.4 | -73.2 | 173.4 | -171 | 0 | 0 | 111.4 | D145 W146 K152 K178 | D145-E149 WeakPolarHBondContact O-CG 3.38Å; D145-E149 PolarHBondContact O-N 3.47Å; W146-E149 PolarHBondContact O-N 2.86Å; E149-K152 PolarHBondContact O-NZ 2.71Å; E149-K178 IonicContact OE1-NZ 2.79Å |
| 150 | E | 93.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 41.1 Ų | 41.1 | 38% | 0.383 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -78.5 | -42.4 | -174.3 | -71.6 | -58.8 | 144.3 | 0 | 0 | 114.3 | L69 W146 | L69-E150 HydrophobicContact CD1-CB 4.41Å; W146-E150 HydrophobicContact CD2-CG 4.38Å; W146-E150 HydrophobicContact CG-CG 4.38Å; W146-E150 HydrophobicContact CZ2-CG 4.22Å; W146-E150 WeakPolarHBondContact O-CB 3.32Å; W146-E150 PolarHBondContact O-N 2.97Å |
| 151 | H | 90 | Very high | 96.9 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 22% | 0.222 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -123.3 | 7.9 | -168.7 | -106.5 | -101.3 | 0 | 0 | 0 | 114.1 | L69 S76 L147 L153 | L69-H151 HydrophobicContact CD1-CB 4.41Å; L69-H151 WeakPolarHBondContact CD1-CD2 3.47Å; S76-H151 WeakPolarHBondContact CB-O 3.14Å; S76-H151 PolarHBondContact OG-O 3.18Å; L147-H151 CarbonylContact O-C 3.52Å; L147-H151 WeakPolarHBondContact O-CA 3.37Å; L147-H151 PolarHBondContact O-N 3Å; H151-L153 PolarHBondContact O-N 3.26Å |
| 152 | K | 93.8 | Very high | 97 | Very high | 157 Ų | 157 | 41 Ų | 41 | 68% | 0.683 | 19% | 0.194 | S | C | * | . | trans | 54.3 | 36.3 | 178.3 | -51.7 | -55.3 | 177.1 | -148.1 | 0 | 112.4 | L147 Q148 E149 P154 | L147-K152 PolarHBondContact O-N 2.7Å; Q148-K152 VanDerWaalsContact O-CA 3.24Å; Q148-K152 WeakPolarHBondContact O-CA 3.43Å; Q148-K152 PolarHBondContact O-N 3.17Å; Q148-K152 VanDerWaalsContact O-N 3.13Å; E149-K152 PolarHBondContact O-NZ 2.71Å; K152-P154 WeakPolarHBondContact O-CD 3.26Å | ||
| 153 | L | 96.8 | Very high | 97 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | -56.6 | 117.9 | 176.1 | 177.2 | 67 | 0 | 0 | 0 | 109.9 | F74 F144 L147 Q148 H151 L155 V158 | F74-L153 HydrophobicContact CE1-CD1 4.49Å; F74-L153 HydrophobicContact CZ-CD1 4.14Å; F74-L153 HydrophobicContact CZ-CD2 4.4Å; F144-L153 HydrophobicContact CD1-CD2 4.05Å; L147-L153 HydrophobicContact CB-CB 4.11Å; L147-L153 HydrophobicContact CB-CD2 3.78Å; L147-L153 HydrophobicContact CD1-CD2 3.99Å; L147-L153 PolarHBondContact O-N 3.14Å; Q148-L153 WeakPolarHBondContact CG-O 3.41Å; H151-L153 PolarHBondContact O-N 3.26Å; L153-L155 PolarHBondContact O-N 3.45Å; L153-V158 HydrophobicContact CD1-CG2 4.44Å; L153-V158 HydrophobicContact CD2-CG2 3.85Å; L153-V158 HydrophobicContact CG-CG2 4.2Å | ||
| 154 | P | 97.6 | Very high | 97 | Very high | 46 Ų | 46 | 37 Ų | 37 | 30% | 0.299 | 18% | 0.177 | S | C | . | . | trans | -74.9 | 120.7 | 171.7 | 29.2 | -32.4 | 0 | 0 | 0 | 109.9 | S76 K152 E156 N157 | S76-P154 WeakPolarHBondContact O-CD 3.24Å; K152-P154 WeakPolarHBondContact O-CD 3.26Å; P154-E156 HydrophobicContact CB-CG 4.01Å; P154-E156 PolarHBondContact O-N 3.43Å; P154-N157 HydrophobicContact CG-CB 4.14Å; P154-N157 WeakPolarHBondContact CG-ND2 3.45Å; P154-N157 WeakPolarHBondContact O-CB 3.42Å; P154-N157 PolarHBondContact O-N 2.87Å | ||
| 155 | L | 98.3 | Very high | 97 | Very high | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -63.4 | -25 | -177.5 | -67.1 | -174.7 | 0 | 0 | 0 | 113.6 | F144 Q148 L153 N157 V158 V177 T180 L181 G182 | F144-L155 HydrophobicContact CB-CD2 4.17Å; Q148-L155 HydrophobicContact CG-CD2 3.88Å; Q148-L155 HydrophobicContact CG-CG 4.09Å; L153-L155 PolarHBondContact O-N 3.45Å; L155-N157 PolarHBondContact O-N 3.44Å; L155-V158 HydrophobicContact CD2-CG2 4.24Å; L155-V158 WeakPolarHBondContact O-CB 3.5Å; L155-V158 PolarHBondContact O-N 3.36Å; L155-V177 HydrophobicContact CD1-CG1 4.27Å; L155-V177 HydrophobicContact CD1-CG2 3.89Å; L155-V177 HydrophobicContact CD2-CG2 4.29Å; L155-T180 WeakPolarHBondContact CB-O 3.5Å; L155-L181 HydrophobicContact CB-CD2 4.48Å; L155-L181 HydrophobicContact CD1-CD2 4.48Å; L155-L181 HydrophobicContact CD2-CD2 4Å; L155-G182 PolarHBondContact O-N 2.9Å |
| 156 | E | 97.6 | Very high | 97 | Very high | 142 Ų | 142 | 36.1 Ų | 36.1 | 66% | 0.664 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -59.9 | -22.5 | 172.6 | 57.7 | 177.5 | -152 | 0 | 0 | 113.4 | P154 | P154-E156 HydrophobicContact CB-CG 4.01Å; P154-E156 PolarHBondContact O-N 3.43Å |
| 157 | N | 97.3 | Very high | 97 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 28% | 0.278 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -89.9 | 0.1 | 175.5 | -74 | -11.9 | 0 | 0 | 0 | 113.3 | K79 T80 P154 L155 | K79-N157 WeakPolarHBondContact CA-O 3.47Å; T80-N157 PolarHBondContact N-O 2.84Å; P154-N157 HydrophobicContact CG-CB 4.14Å; P154-N157 WeakPolarHBondContact CG-ND2 3.45Å; P154-N157 WeakPolarHBondContact O-CB 3.42Å; P154-N157 PolarHBondContact O-N 2.87Å; L155-N157 PolarHBondContact O-N 3.44Å |
| 158 | V | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 131.8 | 179.7 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | T80 F144 L153 L155 L160 L181 G182 R183 | T80-V158 WeakPolarHBondContact O-CA 3.5Å; F144-V158 HydrophobicContact CD1-CG1 4.41Å; F144-V158 HydrophobicContact CD1-CG2 4.37Å; F144-V158 HydrophobicContact CE1-CG1 3.73Å; F144-V158 HydrophobicContact CE1-CG2 4.24Å; F144-V158 HydrophobicContact CE2-CG1 4.25Å; F144-V158 HydrophobicContact CZ-CG1 3.65Å; L153-V158 HydrophobicContact CD1-CG2 4.44Å; L153-V158 HydrophobicContact CD2-CG2 3.85Å; L153-V158 HydrophobicContact CG-CG2 4.2Å; L155-V158 HydrophobicContact CD2-CG2 4.24Å; L155-V158 WeakPolarHBondContact O-CB 3.5Å; L155-V158 PolarHBondContact O-N 3.36Å; V158-L160 HydrophobicContact CG1-CD2 3.85Å; V158-L181 HydrophobicContact CB-CD2 4.19Å; V158-L181 HydrophobicContact CG1-CD2 3.98Å; V158-G182 PolarHBondContact O-N 2.95Å; V158-R183 PolarHBondContact O-N 2.75Å |
| 159 | H | 98.8 | Very high | 97.2 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 6% | 0.06 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 114.9 | 172.8 | -175.8 | -175.7 | 0 | 0 | 0 | 110.2 | T80 I81 F82 R183 T185 Y315 | T80-H159 PolarHBondContact O-N 2.86Å; I81-H159 CarbonylContact C-O 3.54Å; I81-H159 VanDerWaalsContact CA-O 3.28Å; I81-H159 WeakPolarHBondContact CA-O 3.48Å; I81-H159 HydrophobicContact CG1-CB 4.31Å; F82-H159 PolarHBondContact N-O 3.33Å; H159-R183 CarbonylContact C-O 3.59Å; H159-R183 VanDerWaalsContact CA-O 3.3Å; H159-R183 WeakPolarHBondContact CA-O 3.33Å; H159-R183 HydrophobicContact CB-CB 4.43Å; H159-R183 PolarHBondContact CD2-O 3.2Å; H159-T185 PolarHBondContact NE2-OG1 2.94Å; H159-Y315 AromaticContact ND1-CE2 3.88Å |
| 160 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.8 | 170.4 | -47.2 | -172.4 | 0 | 0 | 0 | 110.4 | F82 I84 F144 V158 A170 A173 L181 R183 I184 T185 | F82-L160 HydrophobicContact CB-CD2 3.65Å; F82-L160 HydrophobicContact CG-CD2 4.24Å; F82-L160 CarbonylContact O-C 3.53Å; F82-L160 WeakPolarHBondContact O-CA 3.29Å; I84-L160 HydrophobicContact CD1-CB 4.48Å; F144-L160 HydrophobicContact CE2-CD1 4.34Å; F144-L160 HydrophobicContact CE2-CD2 3.58Å; F144-L160 HydrophobicContact CZ-CD2 3.46Å; F144-L160 VanDerWaalsContact CZ-CD2 3.46Å; V158-L160 HydrophobicContact CG1-CD2 3.85Å; L160-A170 HydrophobicContact CB-CB 3.92Å; L160-A170 HydrophobicContact CD1-CB 3.95Å; L160-A173 HydrophobicContact CD1-CB 3.92Å; L160-L181 HydrophobicContact CD1-CD1 3.5Å; L160-L181 VanDerWaalsContact CD1-CD1 3.5Å; L160-L181 HydrophobicContact CG-CD1 3.95Å; L160-R183 PolarHBondContact N-O 3.45Å; L160-I184 HydrophobicContact CB-CG1 4.13Å; L160-I184 HydrophobicContact CD1-CG1 4.27Å; L160-I184 HydrophobicContact CG-CG1 4.29Å; L160-I184 CarbonylContact O-C 3.45Å; L160-I184 WeakPolarHBondContact O-CA 3.29Å; L160-T185 PolarHBondContact O-N 3.22Å |
| 161 | I | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 104 | 173.9 | -57.1 | 168.8 | 0 | 0 | 0 | 107.1 | I81 F82 I83 I84 L100 V104 L187 F275 | I81-I161 HydrophobicContact CG2-CD1 3.67Å; I81-I161 HydrophobicContact CG2-CG1 4.27Å; F82-I161 PolarHBondContact O-N 3.2Å; I83-I161 WeakPolarHBondContact CA-O 3.47Å; I83-I161 HydrophobicContact CG1-CB 4.47Å; I83-I161 HydrophobicContact CG1-CD1 4.42Å; I84-I161 PolarHBondContact N-O 3.06Å; L100-I161 HydrophobicContact CD2-CG2 4.13Å; V104-I161 HydrophobicContact CG2-CD1 4.16Å; I161-L187 HydrophobicContact CG2-CD1 3.53Å; I161-L187 HydrophobicContact CG2-CG 4.12Å; I161-F275 HydrophobicContact CD1-CE1 3.69Å; I161-F275 HydrophobicContact CD1-CZ 3.85Å; I161-F275 HydrophobicContact CG1-CE1 4.47Å; I161-F275 HydrophobicContact CG1-CZ 4.27Å |
| 162 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I84 G166 T185 L187 | I84-G162 WeakPolarHBondContact O-CA 3.45Å; G162-G166 WeakPolarHBondContact CA-O 3.38Å; G162-T185 PolarHBondContact N-O 2.9Å; G162-L187 PolarHBondContact O-N 2.89Å |
| 163 | Y | 98.3 | Very high | 98.3 | Very high | 8 Ų | 8 | 14.4 Ų | 14.4 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 134.1 | 175.1 | 169 | -113.2 | 0 | 0 | 0 | 111.4 | I84 G86 W96 L165 G166 L187 H268 E269 V272 | I84-Y163 PolarHBondContact O-N 2.87Å; G86-Y163 VanDerWaalsContact CA-O 3.3Å; G86-Y163 WeakPolarHBondContact CA-O 3.34Å; G86-Y163 PolarHBondContact N-O 3.21Å; W96-Y163 AromaticContact CE2-CD1 3.83Å; W96-Y163 AromaticContact CE2-CE1 3.84Å; W96-Y163 AromaticContact CH2-CD1 3.77Å; W96-Y163 HydrophobicContact CH2-CD1 3.77Å; W96-Y163 HydrophobicContact CH2-CG 4.16Å; W96-Y163 AromaticContact CZ2-CD1 3.27Å; W96-Y163 HydrophobicContact CZ2-CD1 3.27Å; W96-Y163 AromaticContact CZ2-CE1 3.68Å; W96-Y163 HydrophobicContact CZ2-CE1 3.68Å; W96-Y163 HydrophobicContact CZ2-CG 4.05Å; W96-Y163 AromaticContact NE1-CE1 3.78Å; Y163-L165 PolarHBondContact O-N 3.1Å; Y163-G166 WeakPolarHBondContact O-CA 3.46Å; Y163-G166 PolarHBondContact O-N 2.91Å; Y163-L187 WeakPolarHBondContact CA-O 3.37Å; Y163-L187 HydrophobicContact CD2-CB 4.2Å; Y163-L187 WeakPolarHBondContact CD2-O 3.49Å; Y163-H268 AromaticContact CE2-CD2 3.86Å; Y163-H268 AromaticContact CZ-CD2 3.52Å; Y163-H268 AromaticContact CZ-NE2 3.97Å; Y163-H268 PolarHBondContact OH-CD2 3.44Å; Y163-E269 VanDerWaalsContact OH-CG 3.28Å; Y163-E269 WeakPolarHBondContact OH-CG 3.26Å; Y163-V272 HydrophobicContact CD2-CG2 3.56Å; Y163-V272 HydrophobicContact CE2-CG2 3.89Å; Y163-V272 HydrophobicContact CG-CG2 4.04Å |
| 164 | S | 96.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 14.5 Ų | 14.5 | 7% | 0.07 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | -123.8 | 177 | -169.6 | 0 | 0 | 0 | 0 | 111.6 | G166 A167 L187 D188 A190 H268 | S164-G166 PolarHBondContact O-N 3.42Å; S164-A167 WeakPolarHBondContact O-CB 3.29Å; S164-A167 PolarHBondContact O-N 3.29Å; S164-A167 VanDerWaalsContact O-N 3.09Å; S164-L187 PolarHBondContact N-O 3.33Å; S164-D188 WeakPolarHBondContact CA-O 3.41Å; S164-A190 PolarHBondContact O-N 2.96Å; S164-H268 WeakPolarHBondContact CB-NE2 3.45Å; S164-H268 PolarHBondContact OG-NE2 3.16Å |
| 165 | L | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55 | -32.1 | 171.6 | -68.9 | -170.8 | 0 | 0 | 0 | 113.3 | W87 W118 Y126 A129 V130 T133 Y163 A167 H168 V169 A190 F194 | W87-L165 HydrophobicContact CB-CD1 3.69Å; W87-L165 HydrophobicContact CB-CG 4.1Å; W87-L165 HydrophobicContact CG-CD1 4.42Å; W118-L165 HydrophobicContact CH2-CB 3.95Å; W118-L165 HydrophobicContact CH2-CD1 3.93Å; W118-L165 HydrophobicContact CZ2-CB 4.02Å; Y126-L165 HydrophobicContact CE2-CD2 4.24Å; Y126-L165 HydrophobicContact CE2-CG 4.5Å; A129-L165 HydrophobicContact CB-CD1 3.84Å; V130-L165 HydrophobicContact CG2-CD1 4.49Å; V130-L165 HydrophobicContact CG2-CD2 3.84Å; T133-L165 HydrophobicContact CG2-CB 4.04Å; T133-L165 HydrophobicContact CG2-CD1 4.34Å; T133-L165 HydrophobicContact CG2-CD2 4.28Å; T133-L165 HydrophobicContact CG2-CG 4.47Å; Y163-L165 PolarHBondContact O-N 3.1Å; L165-A167 PolarHBondContact O-N 3.15Å; L165-H168 PolarHBondContact O-N 3.38Å; L165-H168 VanDerWaalsContact O-N 3.08Å; L165-V169 PolarHBondContact O-N 3.15Å; L165-V169 VanDerWaalsContact O-N 3.09Å; L165-A190 HydrophobicContact CD2-CB 3.75Å; L165-A190 HydrophobicContact CG-CB 4.48Å; L165-F194 HydrophobicContact CD2-CD2 4.49Å; L165-F194 HydrophobicContact CD2-CE2 3.58Å; L165-F194 HydrophobicContact CD2-CZ 4.34Å |
| 166 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.4 | -23.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | H85 G162 Y163 S164 A170 | H85-G166 VanDerWaalsContact O-CA 3.25Å; H85-G166 WeakPolarHBondContact O-CA 3.5Å; H85-G166 PolarHBondContact O-N 2.93Å; G162-G166 WeakPolarHBondContact CA-O 3.38Å; Y163-G166 WeakPolarHBondContact O-CA 3.46Å; Y163-G166 PolarHBondContact O-N 2.91Å; S164-G166 PolarHBondContact O-N 3.42Å; G166-A170 WeakPolarHBondContact O-CB 3.33Å; G166-A170 PolarHBondContact O-N 3.45Å |
| 167 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.5 | -40.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | S164 L165 A170 G171 P189 L203 | S164-A167 WeakPolarHBondContact O-CB 3.29Å; S164-A167 PolarHBondContact O-N 3.29Å; S164-A167 VanDerWaalsContact O-N 3.09Å; L165-A167 PolarHBondContact O-N 3.15Å; A167-A170 WeakPolarHBondContact O-CB 3.39Å; A167-A170 PolarHBondContact O-N 3.47Å; A167-G171 PolarHBondContact O-N 2.63Å; A167-P189 HydrophobicContact CB-CB 3.64Å; A167-P189 HydrophobicContact CB-CG 3.62Å; A167-L203 HydrophobicContact CB-CD2 4.25Å |
| 168 | H | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -71.1 | -38.4 | 175.1 | -58.3 | -75.3 | 0 | 0 | 0 | 111.3 | L165 A170 G171 F172 A190 F194 R202 L203 | L165-H168 PolarHBondContact O-N 3.38Å; L165-H168 VanDerWaalsContact O-N 3.08Å; H168-A170 VanDerWaalsContact C-N 3.28Å; H168-A170 PolarHBondContact O-N 3.43Å; H168-G171 WeakPolarHBondContact O-CA 3.47Å; H168-G171 PolarHBondContact O-N 2.87Å; H168-G171 VanDerWaalsContact O-N 3.1Å; H168-F172 HydrophobicContact CB-CE2 4.31Å; H168-F172 WeakPolarHBondContact O-CD2 3.49Å; H168-F172 PolarHBondContact O-N 2.03Å; H168-A190 PolarHBondContact NE2-N 3.48Å; H168-A190 PolarHBondContact NE2-O 3.44Å; H168-F194 HydrophobicContact CB-CD1 4.36Å; H168-F194 HydrophobicContact CB-CE1 3.76Å; H168-F194 HydrophobicContact CB-CE2 4.44Å; H168-F194 HydrophobicContact CB-CZ 3.8Å; H168-F194 AromaticContact CD2-CD2 3.64Å; H168-F194 AromaticContact CD2-CE2 3.65Å; H168-F194 AromaticContact CD2-CG 3.9Å; H168-F194 AromaticContact CD2-CZ 3.9Å; H168-F194 AromaticContact CE1-CD1 3.83Å; H168-F194 AromaticContact CE1-CG 3.55Å; H168-F194 AromaticContact CG-CD1 3.75Å; H168-F194 AromaticContact CG-CE1 3.61Å; H168-F194 AromaticContact CG-CE2 3.96Å; H168-F194 AromaticContact CG-CG 3.95Å; H168-F194 AromaticContact CG-CZ 3.72Å; H168-F194 AromaticContact ND1-CD1 3.51Å; H168-F194 AromaticContact ND1-CE1 3.82Å; H168-F194 AromaticContact ND1-CG 3.72Å; H168-F194 AromaticContact NE2-CD2 3.67Å; H168-F194 AromaticContact NE2-CG 3.7Å; H168-R202 WeakPolarHBondContact ND1-CB 3.42Å; H168-L203 PolarHBondContact ND1-N 3.45Å |
| 169 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.9 | -44.8 | 169.9 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I84 W118 T133 V136 G137 I140 L165 G171 F172 A173 | I84-V169 HydrophobicContact CD1-CG1 4.34Å; I84-V169 HydrophobicContact CG2-CB 4.07Å; I84-V169 HydrophobicContact CG2-CG1 3.8Å; W118-V169 HydrophobicContact CZ2-CG2 4.4Å; T133-V169 HydrophobicContact CG2-CG2 3.87Å; V136-V169 HydrophobicContact CB-CG1 4.04Å; V136-V169 HydrophobicContact CB-CG2 4.29Å; V136-V169 HydrophobicContact CG1-CG1 3.51Å; V136-V169 HydrophobicContact CG1-CG2 4.31Å; G137-V169 WeakPolarHBondContact CA-O 3.34Å; I140-V169 HydrophobicContact CD1-CG1 3.46Å; I140-V169 VanDerWaalsContact CD1-CG1 3.46Å; L165-V169 PolarHBondContact O-N 3.15Å; L165-V169 VanDerWaalsContact O-N 3.09Å; V169-G171 VanDerWaalsContact C-N 3.34Å; V169-F172 PolarHBondContact O-N 3.28Å; V169-A173 WeakPolarHBondContact O-CB 3.31Å; V169-A173 PolarHBondContact O-N 3.26Å |
| 170 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I84 L160 G166 A167 H168 A173 G174 I184 | I84-A170 HydrophobicContact CD1-CB 3.95Å; L160-A170 HydrophobicContact CB-CB 3.92Å; L160-A170 HydrophobicContact CD1-CB 3.95Å; G166-A170 WeakPolarHBondContact O-CB 3.33Å; G166-A170 PolarHBondContact O-N 3.45Å; A167-A170 WeakPolarHBondContact O-CB 3.39Å; A167-A170 PolarHBondContact O-N 3.47Å; H168-A170 VanDerWaalsContact C-N 3.28Å; H168-A170 PolarHBondContact O-N 3.43Å; A170-A173 WeakPolarHBondContact O-CB 3.48Å; A170-A173 PolarHBondContact O-N 3.07Å; A170-G174 PolarHBondContact O-N 2.96Å; A170-I184 HydrophobicContact CB-CG2 3.8Å; A170-I184 WeakPolarHBondContact O-CD1 3.38Å |
| 171 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.6 | -51.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A167 H168 V169 A173 G174 T175 D207 | A167-G171 PolarHBondContact O-N 2.63Å; H168-G171 WeakPolarHBondContact O-CA 3.47Å; H168-G171 PolarHBondContact O-N 2.87Å; H168-G171 VanDerWaalsContact O-N 3.1Å; V169-G171 VanDerWaalsContact C-N 3.34Å; G171-A173 VanDerWaalsContact C-N 3.31Å; G171-A173 PolarHBondContact O-N 2.98Å; G171-G174 CarbonylContact O-C 3.57Å; G171-G174 WeakPolarHBondContact O-CA 3.37Å; G171-G174 PolarHBondContact O-N 2.8Å; G171-T175 PolarHBondContact O-N 3.15Å; G171-T175 PolarHBondContact O-OG1 2.93Å; G171-D207 WeakPolarHBondContact CA-OD2 3.35Å |
| 172 | F | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.2 | -42.6 | 174.3 | -68.8 | -55.3 | 0 | 0 | 0 | 112.3 | T133 L134 H168 V169 G174 T175 Y176 F194 Q200 K201 | T133-F172 WeakPolarHBondContact OG1-CE2 3.27Å; L134-F172 HydrophobicContact CB-CD2 4.38Å; L134-F172 HydrophobicContact CB-CE1 4.48Å; L134-F172 HydrophobicContact CB-CE2 4.28Å; L134-F172 HydrophobicContact CB-CZ 4.32Å; L134-F172 HydrophobicContact CD1-CB 4.47Å; L134-F172 HydrophobicContact CD1-CD1 3.57Å; L134-F172 HydrophobicContact CD1-CE1 3.84Å; L134-F172 HydrophobicContact CD1-CG 4.01Å; L134-F172 HydrophobicContact CD1-CZ 4.5Å; H168-F172 HydrophobicContact CB-CE2 4.31Å; H168-F172 WeakPolarHBondContact O-CD2 3.49Å; H168-F172 PolarHBondContact O-N 2.03Å; V169-F172 PolarHBondContact O-N 3.28Å; F172-G174 VanDerWaalsContact C-N 3.28Å; F172-G174 PolarHBondContact O-N 3.33Å; F172-T175 PolarHBondContact O-N 3.19Å; F172-Y176 HydrophobicContact CD1-CE2 4.36Å; F172-Y176 VanDerWaalsContact O-CD2 3.26Å; F172-Y176 WeakPolarHBondContact O-CD2 3.48Å; F172-Y176 PolarHBondContact O-N 2.65Å; F172-F194 HydrophobicContact CE2-CE1 4.44Å; F172-Q200 WeakPolarHBondContact CE1-O 3.33Å; F172-K201 VanDerWaalsContact CZ-C 3.49Å; F172-K201 WeakPolarHBondContact CZ-O 3.25Å |
| 173 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.9 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G137 I140 L160 V169 A170 G171 V177 | G137-A173 VanDerWaalsContact O-CA 3.29Å; G137-A173 WeakPolarHBondContact O-CA 3.24Å; G137-A173 WeakPolarHBondContact O-CB 3.49Å; I140-A173 HydrophobicContact CB-CB 3.87Å; I140-A173 HydrophobicContact CG2-CB 3.71Å; L160-A173 HydrophobicContact CD1-CB 3.92Å; V169-A173 WeakPolarHBondContact O-CB 3.31Å; V169-A173 PolarHBondContact O-N 3.26Å; A170-A173 WeakPolarHBondContact O-CB 3.48Å; A170-A173 PolarHBondContact O-N 3.07Å; G171-A173 VanDerWaalsContact C-N 3.31Å; G171-A173 PolarHBondContact O-N 2.98Å; A173-V177 WeakPolarHBondContact O-CB 2.93Å; A173-V177 PolarHBondContact O-N 2.85Å |
| 174 | G | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 7% | 0.072 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -38.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A170 G171 F172 D207 | A170-G174 PolarHBondContact O-N 2.96Å; G171-G174 CarbonylContact O-C 3.57Å; G171-G174 WeakPolarHBondContact O-CA 3.37Å; G171-G174 PolarHBondContact O-N 2.8Å; F172-G174 VanDerWaalsContact C-N 3.28Å; F172-G174 PolarHBondContact O-N 3.33Å; G174-D207 CarbonylContact C-O 3.59Å; G174-D207 WeakPolarHBondContact CA-O 3.25Å |
| 175 | T | 98.3 | Very high | 98.5 | Very high | 60 Ų | 60 | 24 Ų | 24 | 37% | 0.368 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -68.3 | -37 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 113.1 | G171 F172 D207 | G171-T175 PolarHBondContact O-N 3.15Å; G171-T175 PolarHBondContact O-OG1 2.93Å; F172-T175 PolarHBondContact O-N 3.19Å; T175-D207 PolarHBondContact OG1-OD1 3.22Å |
| 176 | Y | 98.4 | Very high | 98.5 | Very high | 120 Ų | 120 | 24 Ų | 24 | 47% | 0.471 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -98.8 | -9.1 | -171.7 | -74.4 | -82.2 | 0 | 0 | 0 | 114.8 | L134 V138 F172 | L134-Y176 HydrophobicContact CD1-CD2 4.32Å; L134-Y176 HydrophobicContact CD1-CE2 3.45Å; L134-Y176 VanDerWaalsContact CD1-CE2 3.45Å; V138-Y176 HydrophobicContact CG2-CD1 4.21Å; V138-Y176 HydrophobicContact CG2-CD2 3.75Å; V138-Y176 HydrophobicContact CG2-CE1 4.45Å; V138-Y176 HydrophobicContact CG2-CE2 4.05Å; V138-Y176 HydrophobicContact CG2-CG 3.85Å; F172-Y176 HydrophobicContact CD1-CE2 4.36Å; F172-Y176 VanDerWaalsContact O-CD2 3.26Å; F172-Y176 WeakPolarHBondContact O-CD2 3.48Å; F172-Y176 PolarHBondContact O-N 2.65Å |
| 177 | V | 98.4 | Very high | 98.5 | Very high | 11 Ų | 11 | 24 Ų | 24 | 7% | 0.067 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -73.9 | 146.9 | 177.5 | 70.1 | 0 | 0 | 0 | 0 | 111.6 | A141 F144 D145 L155 A173 G179 L181 | A141-V177 HydrophobicContact CB-CB 4.17Å; F144-V177 HydrophobicContact CB-CG2 3.67Å; D145-V177 WeakPolarHBondContact OD1-CG2 3.27Å; L155-V177 HydrophobicContact CD1-CG1 4.27Å; L155-V177 HydrophobicContact CD1-CG2 3.89Å; L155-V177 HydrophobicContact CD2-CG2 4.29Å; A173-V177 WeakPolarHBondContact O-CB 2.93Å; A173-V177 PolarHBondContact O-N 2.85Å; V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 2.85Å; V177-L181 HydrophobicContact CG1-CD2 3.99Å; V177-L181 HydrophobicContact CG1-CG 3.94Å |
| 178 | K | 97.9 | Very high | 98.5 | Very high | 133 Ų | 133 | 24 Ų | 24 | 58% | 0.578 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -77.4 | 82.9 | 175.3 | -65.9 | 172.2 | -165.8 | 154.9 | 0 | 111.3 | D145 Q148 E149 | D145-K178 WeakPolarHBondContact OD1-CB 3.43Å; D145-K178 PolarHBondContact OD1-N 3.15Å; D145-K178 VanDerWaalsContact OD2-CD 3.31Å; D145-K178 WeakPolarHBondContact OD2-CD 3.12Å; D145-K178 WeakPolarHBondContact OD2-CE 3.47Å; D145-K178 WeakPolarHBondContact OD2-CG 3.03Å; D145-K178 IonicContact OD2-NZ 3.61Å; D145-K178 PolarHBondContact OD2-NZ 3.45Å; Q148-K178 PolarHBondContact NE2-O 3.22Å; Q148-K178 VanDerWaalsContact NE2-O 3.08Å; E149-K178 IonicContact OE1-NZ 2.79Å |
| 179 | G | 97.3 | Very high | 98.5 | Very high | 47 Ų | 47 | 24 Ų | 24 | 49% | 0.485 | 13% | 0.132 | S | C | . | . | S | Bend | trans | 139.5 | -153.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V177 | V177-G179 VanDerWaalsContact C-N 3.34Å; V177-G179 PolarHBondContact O-N 2.85Å |
| 180 | T | 98 | Very high | 98.3 | Very high | 72 Ų | 72 | 24 Ų | 24 | 44% | 0.442 | 13% | 0.133 | S | C | . | . | trans | -126 | 124.8 | 179.5 | -54.2 | 0 | 0 | 0 | 0 | 109.4 | L155 D209 | L155-T180 WeakPolarHBondContact CB-O 3.5Å; T180-D209 HydrophobicContact CG2-CB 4.23Å; T180-D209 WeakPolarHBondContact CG2-OD1 3.25Å | ||
| 181 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -67.7 | 146.4 | 174.8 | -61.1 | -179.9 | 0 | 0 | 0 | 110.6 | F144 L155 V158 L160 V177 I184 A208 D209 | F144-L181 HydrophobicContact CD2-CD2 4.25Å; L155-L181 HydrophobicContact CB-CD2 4.48Å; L155-L181 HydrophobicContact CD1-CD2 4.48Å; L155-L181 HydrophobicContact CD2-CD2 4Å; V158-L181 HydrophobicContact CB-CD2 4.19Å; V158-L181 HydrophobicContact CG1-CD2 3.98Å; L160-L181 HydrophobicContact CD1-CD1 3.5Å; L160-L181 VanDerWaalsContact CD1-CD1 3.5Å; L160-L181 HydrophobicContact CG-CD1 3.95Å; V177-L181 HydrophobicContact CG1-CD2 3.99Å; V177-L181 HydrophobicContact CG1-CG 3.94Å; L181-I184 HydrophobicContact CD1-CD1 4.31Å; L181-I184 HydrophobicContact CD1-CG1 4.41Å; L181-A208 HydrophobicContact CB-CB 4.02Å; L181-A208 CarbonylContact O-C 3.58Å; L181-A208 WeakPolarHBondContact O-CA 3.41Å; L181-A208 WeakPolarHBondContact O-CB 3.27Å; L181-D209 WeakPolarHBondContact O-CB 3.45Å; L181-D209 PolarHBondContact O-N 2.95Å |
| 182 | G | 98.2 | Very high | 97.8 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 13% | 0.134 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -66 | -42.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L155 V158 D209 F210 | L155-G182 PolarHBondContact O-N 2.9Å; V158-G182 PolarHBondContact O-N 2.95Å; G182-D209 WeakPolarHBondContact O-CB 3.37Å; G182-F210 PolarHBondContact O-N 3.33Å |
| 183 | R | 98.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 30 Ų | 30 | 11% | 0.113 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 142.6 | -179.6 | -171.7 | 176.2 | 178 | -178.7 | -3.5 | 113.7 | V158 H159 L160 T185 F210 D212 G314 Y315 | V158-R183 PolarHBondContact O-N 2.75Å; H159-R183 CarbonylContact C-O 3.59Å; H159-R183 VanDerWaalsContact CA-O 3.3Å; H159-R183 WeakPolarHBondContact CA-O 3.33Å; H159-R183 HydrophobicContact CB-CB 4.43Å; H159-R183 PolarHBondContact CD2-O 3.2Å; L160-R183 PolarHBondContact N-O 3.45Å; R183-T185 PolarHBondContact NE-OG1 2.86Å; R183-F210 CarbonylContact C-O 3.57Å; R183-F210 VanDerWaalsContact CA-O 3.25Å; R183-F210 WeakPolarHBondContact CA-O 3.4Å; R183-F210 HydrophobicContact CG-CB 4.45Å; R183-F210 HydrophobicContact CG-CD1 3.93Å; R183-F210 WeakPolarHBondContact CG-O 3.45Å; R183-D212 IonicContact CZ-OD1 3.6Å; R183-D212 IonicContact CZ-OD2 3.43Å; R183-D212 IonicContact NE-OD1 3.22Å; R183-D212 PolarHBondContact NE-OD1 3.02Å; R183-D212 IonicContact NE-OD2 2.77Å; R183-D212 IonicContact NH2-OD1 2.72Å; R183-D212 PolarHBondContact NH2-OD1 3.28Å; R183-D212 IonicContact NH2-OD2 3.14Å; R183-D212 PolarHBondContact NH2-OD2 3.36Å; R183-G314 PolarHBondContact NH2-O 2.99Å; R183-Y315 PolarHBondContact NH1-O 3.27Å |
| 184 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.9 | 162.5 | -63 | 165.3 | 0 | 0 | 0 | 108.9 | L160 A170 L181 L203 D207 A208 F210 V211 D212 | L160-I184 HydrophobicContact CB-CG1 4.13Å; L160-I184 HydrophobicContact CD1-CG1 4.27Å; L160-I184 HydrophobicContact CG-CG1 4.29Å; L160-I184 CarbonylContact O-C 3.45Å; L160-I184 WeakPolarHBondContact O-CA 3.29Å; A170-I184 HydrophobicContact CB-CG2 3.8Å; A170-I184 WeakPolarHBondContact O-CD1 3.38Å; L181-I184 HydrophobicContact CD1-CD1 4.31Å; L181-I184 HydrophobicContact CD1-CG1 4.41Å; I184-L203 HydrophobicContact CB-CD1 4.38Å; I184-L203 HydrophobicContact CD1-CD1 4.26Å; I184-L203 HydrophobicContact CG2-CD1 3.68Å; I184-L203 HydrophobicContact CG2-CD2 4.48Å; I184-D207 HydrophobicContact CD1-CB 3.7Å; I184-A208 HydrophobicContact CB-CB 4.3Å; I184-A208 HydrophobicContact CD1-CB 3.76Å; I184-A208 HydrophobicContact CG1-CB 3.75Å; I184-F210 PolarHBondContact N-O 3.21Å; I184-V211 HydrophobicContact CB-CG2 4.31Å; I184-V211 VanDerWaalsContact O-CA 3.32Å; I184-V211 WeakPolarHBondContact O-CA 3.01Å; I184-D212 PolarHBondContact O-N 3.39Å |
| 185 | T | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.2 | 167.9 | -58.6 | 0 | 0 | 0 | 0 | 110 | H159 L160 G162 R183 L187 D212 F275 | H159-T185 PolarHBondContact NE2-OG1 2.94Å; L160-T185 PolarHBondContact O-N 3.22Å; G162-T185 PolarHBondContact N-O 2.9Å; R183-T185 PolarHBondContact NE-OG1 2.86Å; T185-L187 HydrophobicContact CG2-CD2 3.79Å; T185-L187 HydrophobicContact CG2-CG 4.35Å; T185-D212 CarbonylContact C-O 3.25Å; T185-D212 VanDerWaalsContact CA-O 3.24Å; T185-D212 WeakPolarHBondContact CA-O 3.49Å; T185-D212 PolarHBondContact OG1-OD1 3.35Å; T185-D212 PolarHBondContact OG1-OD2 3.13Å; T185-F275 HydrophobicContact CG2-CD2 3.9Å; T185-F275 HydrophobicContact CG2-CE2 3.66Å |
| 186 | G | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D212 V213 L214 | G186-D212 PolarHBondContact N-O 3.42Å; G186-V213 WeakPolarHBondContact O-CA 3.15Å; G186-L214 PolarHBondContact O-N 3.13Å |
| 187 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 101.4 | 176.3 | -56.6 | 178.1 | 0 | 0 | 0 | 109 | L100 I161 G162 Y163 S164 T185 L214 A271 V272 F275 | L100-L187 HydrophobicContact CD2-CD1 4.31Å; I161-L187 HydrophobicContact CG2-CD1 3.53Å; I161-L187 HydrophobicContact CG2-CG 4.12Å; G162-L187 PolarHBondContact O-N 2.89Å; Y163-L187 WeakPolarHBondContact CA-O 3.37Å; Y163-L187 HydrophobicContact CD2-CB 4.2Å; Y163-L187 WeakPolarHBondContact CD2-O 3.49Å; S164-L187 PolarHBondContact N-O 3.33Å; T185-L187 HydrophobicContact CG2-CD2 3.79Å; T185-L187 HydrophobicContact CG2-CG 4.35Å; L187-L214 HydrophobicContact CD2-CD1 3.92Å; L187-L214 HydrophobicContact CD2-CG 4.38Å; L187-A271 HydrophobicContact CB-CB 3.99Å; L187-V272 HydrophobicContact CD1-CG2 4.21Å; L187-F275 HydrophobicContact CD1-CB 4.39Å; L187-F275 HydrophobicContact CD2-CB 3.76Å; L187-F275 HydrophobicContact CD2-CD2 3.91Å; L187-F275 HydrophobicContact CD2-CG 4Å |
| 188 | D | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 41.5 | 66.2 | -173.5 | -149.4 | 37.4 | 0 | 0 | 0 | 112.9 | S164 L214 H215 T216 Y217 H268 A271 | S164-D188 WeakPolarHBondContact CA-O 3.41Å; D188-L214 WeakPolarHBondContact CA-O 3.3Å; D188-L214 PolarHBondContact N-O 3.4Å; D188-H215 WeakPolarHBondContact OD1-CA 3.42Å; D188-T216 PolarHBondContact OD1-N 2.66Å; D188-T216 PolarHBondContact OD2-OG1 3.01Å; D188-Y217 PolarHBondContact OD1-N 3.19Å; D188-Y217 VanDerWaalsContact OD1-N 3.12Å; D188-Y217 VanDerWaalsContact OD2-CB 3.26Å; D188-Y217 WeakPolarHBondContact OD2-CB 3.4Å; D188-Y217 PolarHBondContact OD2-N 3.21Å; D188-H268 PolarHBondContact O-CE1 2.88Å; D188-H268 WeakPolarHBondContact OD2-CA 3.44Å; D188-H268 IonicContact OD2-CE1 2.84Å; D188-H268 IonicContact OD2-CG 2.87Å; D188-H268 IonicContact OD2-ND1 3.26Å; D188-H268 PolarHBondContact OD2-ND1 2.87Å; D188-A271 HydrophobicContact CB-CB 3.78Å |
| 189 | P | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -55.4 | 146 | -178.5 | -24.8 | 37.2 | 0 | 0 | 0 | 111.6 | A167 G191 L203 V213 G227 I228 I232 | A167-P189 HydrophobicContact CB-CB 3.64Å; A167-P189 HydrophobicContact CB-CG 3.62Å; P189-G191 PolarHBondContact O-N 2.89Å; P189-L203 HydrophobicContact CG-CD2 4.29Å; P189-V213 HydrophobicContact CG-CG1 3.6Å; P189-G227 CarbonylContact O-C 3.54Å; P189-G227 WeakPolarHBondContact O-CA 3.07Å; P189-I228 HydrophobicContact CB-CG2 3.91Å; P189-I228 HydrophobicContact CG-CG2 4.43Å; P189-I228 PolarHBondContact O-N 3.08Å; P189-I232 HydrophobicContact CB-CD1 3.92Å; P189-I232 HydrophobicContact CG-CD1 3.98Å | ||
| 190 | A | 96.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -65.5 | 134.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S164 L165 H168 F194 | S164-A190 PolarHBondContact O-N 2.96Å; L165-A190 HydrophobicContact CD2-CB 3.75Å; L165-A190 HydrophobicContact CG-CB 4.48Å; H168-A190 PolarHBondContact NE2-N 3.48Å; H168-A190 PolarHBondContact NE2-O 3.44Å; A190-F194 HydrophobicContact CB-CD2 4.28Å; A190-F194 WeakPolarHBondContact O-CB 3.44Å |
| 191 | G | 94.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | trans | -81.9 | -50.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | P189 M193 F194 E195 I226 | P189-G191 PolarHBondContact O-N 2.89Å; G191-M193 PolarHBondContact O-N 2.8Å; G191-F194 PolarHBondContact O-N 2.97Å; G191-E195 WeakPolarHBondContact O-CB 2.99Å; G191-E195 PolarHBondContact O-N 3.09Å; G191-I226 PolarHBondContact N-O 3.05Å | ||
| 192 | P | 92.4 | Very high | 96.3 | Very high | 34 Ų | 34 | 37 Ų | 37 | 22% | 0.221 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 133.7 | -173.2 | -18.6 | 30 | 0 | 0 | 0 | 111.2 | Y126 F194 V224 S225 I226 | Y126-P192 HydrophobicContact CE1-CB 3.71Å; Y126-P192 HydrophobicContact CE1-CG 4.41Å; Y126-P192 WeakPolarHBondContact OH-CD 3.05Å; Y126-P192 PolarHBondContact OH-O 3.09Å; P192-F194 WeakPolarHBondContact O-CD2 3.36Å; P192-F194 PolarHBondContact O-N 3.08Å; P192-V224 HydrophobicContact CB-CG1 4.13Å; P192-V224 HydrophobicContact CG-CG1 3.66Å; P192-S225 VanDerWaalsContact CD-O 3.28Å; P192-S225 WeakPolarHBondContact CD-O 3.32Å; P192-I226 WeakPolarHBondContact CD-O 3.5Å |
| 193 | M | 93.9 | Very high | 96.3 | Very high | 99 Ų | 99 | 36.3 Ų | 36.3 | 49% | 0.488 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 4 | -174.8 | -53.2 | 178.2 | 70.3 | 0 | 0 | 116.3 | Y126 P127 V130 G191 V197 | Y126-M193 HydrophobicContact CD1-SD 4.47Å; Y126-M193 HydrophobicContact CE1-SD 4.35Å; P127-M193 HydrophobicContact CB-CE 4.31Å; P127-M193 HydrophobicContact CB-SD 4.02Å; P127-M193 HydrophobicContact CG-SD 4.35Å; V130-M193 HydrophobicContact CB-CE 4.5Å; V130-M193 HydrophobicContact CB-SD 4.14Å; V130-M193 HydrophobicContact CG1-CB 4Å; V130-M193 HydrophobicContact CG1-CE 4.07Å; V130-M193 HydrophobicContact CG1-SD 4.1Å; V130-M193 HydrophobicContact CG2-CB 4.46Å; V130-M193 HydrophobicContact CG2-SD 4.06Å; G191-M193 PolarHBondContact O-N 2.8Å; M193-V197 WeakPolarHBondContact O-CG2 3.09Å |
| 194 | F | 96.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -24 | 174.2 | -66.6 | -75.5 | 0 | 0 | 0 | 113.9 | V130 T133 L165 H168 F172 A190 G191 P192 G196 V197 K201 R202 I228 | V130-F194 HydrophobicContact CG1-CE2 3.98Å; V130-F194 HydrophobicContact CG1-CZ 3.88Å; V130-F194 HydrophobicContact CG2-CE2 4.07Å; T133-F194 HydrophobicContact CG2-CZ 4.34Å; L165-F194 HydrophobicContact CD2-CD2 4.49Å; L165-F194 HydrophobicContact CD2-CE2 3.58Å; L165-F194 HydrophobicContact CD2-CZ 4.34Å; H168-F194 HydrophobicContact CB-CD1 4.36Å; H168-F194 HydrophobicContact CB-CE1 3.76Å; H168-F194 HydrophobicContact CB-CE2 4.44Å; H168-F194 HydrophobicContact CB-CZ 3.8Å; H168-F194 AromaticContact CD2-CD2 3.64Å; H168-F194 AromaticContact CD2-CE2 3.65Å; H168-F194 AromaticContact CD2-CG 3.9Å; H168-F194 AromaticContact CD2-CZ 3.9Å; H168-F194 AromaticContact CE1-CD1 3.83Å; H168-F194 AromaticContact CE1-CG 3.55Å; H168-F194 AromaticContact CG-CD1 3.75Å; H168-F194 AromaticContact CG-CE1 3.61Å; H168-F194 AromaticContact CG-CE2 3.96Å; H168-F194 AromaticContact CG-CG 3.95Å; H168-F194 AromaticContact CG-CZ 3.72Å; H168-F194 AromaticContact ND1-CD1 3.51Å; H168-F194 AromaticContact ND1-CE1 3.82Å; H168-F194 AromaticContact ND1-CG 3.72Å; H168-F194 AromaticContact NE2-CD2 3.67Å; H168-F194 AromaticContact NE2-CG 3.7Å; F172-F194 HydrophobicContact CE2-CE1 4.44Å; A190-F194 HydrophobicContact CB-CD2 4.28Å; A190-F194 WeakPolarHBondContact O-CB 3.44Å; G191-F194 PolarHBondContact O-N 2.97Å; P192-F194 WeakPolarHBondContact O-CD2 3.36Å; P192-F194 PolarHBondContact O-N 3.08Å; F194-G196 PolarHBondContact O-N 3.21Å; F194-V197 WeakPolarHBondContact O-CB 3.24Å; F194-V197 PolarHBondContact O-N 3.22Å; F194-K201 WeakPolarHBondContact CD1-O 3.48Å; F194-K201 WeakPolarHBondContact CE1-O 3.47Å; F194-R202 HydrophobicContact CD1-CB 3.84Å; F194-I228 HydrophobicContact CB-CD1 4.31Å |
| 195 | E | 94.8 | Very high | 96.1 | Very high | 69 Ų | 69 | 35.4 Ų | 35.4 | 32% | 0.322 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 131.6 | 175 | -172.3 | 65.8 | -104.5 | 0 | 0 | 111 | G191 V197 I228 Q229 Q230 | G191-E195 WeakPolarHBondContact O-CB 2.99Å; G191-E195 PolarHBondContact O-N 3.09Å; E195-V197 PolarHBondContact O-N 3.44Å; E195-V197 VanDerWaalsContact O-N 3.08Å; E195-I228 HydrophobicContact CB-CG1 4.45Å; E195-I228 WeakPolarHBondContact OE2-CG1 3.27Å; E195-Q229 WeakPolarHBondContact OE2-CA 3.17Å; E195-Q229 WeakPolarHBondContact OE2-CB 3.13Å; E195-Q229 PolarHBondContact OE2-N 2.78Å; E195-Q230 WeakPolarHBondContact OE1-CB 3.02Å; E195-Q230 WeakPolarHBondContact OE1-CG 3.42Å; E195-Q230 PolarHBondContact OE1-N 3.12Å; E195-Q230 PolarHBondContact OE1-OE1 3.48Å |
| 196 | G | 93.3 | Very high | 96 | Very high | 62 Ų | 62 | 39.5 Ų | 39.5 | 64% | 0.639 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | -0.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | F194 | F194-G196 PolarHBondContact O-N 3.21Š|
| 197 | V | 94.1 | Very high | 95.9 | Very high | 43 Ų | 43 | 39.8 Ų | 39.8 | 26% | 0.261 | 21% | 0.212 | S | C | . | . | trans | -77 | 150.2 | 177.6 | -176 | 0 | 0 | 0 | 0 | 110.6 | M193 F194 E195 K201 R202 | M193-V197 WeakPolarHBondContact O-CG2 3.09Å; F194-V197 WeakPolarHBondContact O-CB 3.24Å; F194-V197 PolarHBondContact O-N 3.22Å; E195-V197 PolarHBondContact O-N 3.44Å; E195-V197 VanDerWaalsContact O-N 3.08Å; V197-K201 HydrophobicContact CG1-CB 3.58Å; V197-K201 HydrophobicContact CG1-CD 4.04Å; V197-K201 HydrophobicContact CG1-CG 4.45Å; V197-R202 PolarHBondContact O-NE 3.01Å | ||
| 198 | E | 95.4 | Very high | 95.9 | Very high | 114 Ų | 114 | 40.1 Ų | 40.1 | 53% | 0.533 | 22% | 0.215 | S | C | . | . | trans | -51.6 | 145.6 | 176.1 | -63.6 | 172.4 | 155.4 | 0 | 0 | 112.6 | Q200 K201 | E198-Q200 PolarHBondContact O-N 2.83Å; E198-Q200 VanDerWaalsContact O-N 3.16Å; E198-K201 PolarHBondContact O-N 3.45Å; E198-K201 WeakPolarHBondContact OE2-CE 3.47Å; E198-K201 IonicContact OE2-NZ 3.9Å; E198-K201 PolarHBondContact OE2-NZ 3.28Å | ||
| 199 | E | 94 | Very high | 95.9 | Very high | 73 Ų | 73 | 43.7 Ų | 43.7 | 34% | 0.341 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -56.4 | -34.3 | -174.9 | -74.3 | 177.1 | 168.9 | 0 | 0 | 113.3 | K201 R202 | E199-K201 PolarHBondContact O-N 2.63Å; E199-R202 VanDerWaalsContact CG-NH2 3.29Å; E199-R202 PolarHBondContact O-N 3.41Å |
| 200 | Q | 94.2 | Very high | 95.8 | Very high | 122 Ų | 122 | 44.4 Ų | 44.4 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -70 | -13.1 | -179.5 | -58.8 | 79.2 | 6.7 | 0 | 0 | 113.7 | F172 E198 | F172-Q200 WeakPolarHBondContact CE1-O 3.33Å; E198-Q200 PolarHBondContact O-N 2.83Å; E198-Q200 VanDerWaalsContact O-N 3.16Å |
| 201 | K | 95.9 | Very high | 95.9 | Very high | 93 Ų | 93 | 44.4 Ų | 44.4 | 40% | 0.404 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -110.9 | 16.4 | -174.8 | -66.9 | 174.9 | -176.4 | 153.2 | 0 | 112.5 | F172 F194 V197 E198 E199 | F172-K201 VanDerWaalsContact CZ-C 3.49Å; F172-K201 WeakPolarHBondContact CZ-O 3.25Å; F194-K201 WeakPolarHBondContact CD1-O 3.48Å; F194-K201 WeakPolarHBondContact CE1-O 3.47Å; V197-K201 HydrophobicContact CG1-CB 3.58Å; V197-K201 HydrophobicContact CG1-CD 4.04Å; V197-K201 HydrophobicContact CG1-CG 4.45Å; E198-K201 PolarHBondContact O-N 3.45Å; E198-K201 WeakPolarHBondContact OE2-CE 3.47Å; E198-K201 IonicContact OE2-NZ 3.9Å; E198-K201 PolarHBondContact OE2-NZ 3.28Å; E199-K201 PolarHBondContact O-N 2.63Å |
| 202 | R | 97.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 6% | 0.06 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -159.3 | 178.5 | 178.6 | 55 | 169.9 | 175.4 | 78.5 | -4.1 | 109.7 | H168 F194 V197 E199 S204 | H168-R202 WeakPolarHBondContact ND1-CB 3.42Å; F194-R202 HydrophobicContact CD1-CB 3.84Å; V197-R202 PolarHBondContact O-NE 3.01Å; E199-R202 VanDerWaalsContact CG-NH2 3.29Å; E199-R202 PolarHBondContact O-N 3.41Å; R202-S204 PolarHBondContact O-N 3.26Å |
| 203 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -59.2 | 134.6 | 164.2 | 176 | 67.2 | 0 | 0 | 0 | 110.4 | A167 H168 I184 P189 D207 V211 V213 I232 | A167-L203 HydrophobicContact CB-CD2 4.25Å; H168-L203 PolarHBondContact ND1-N 3.45Å; I184-L203 HydrophobicContact CB-CD1 4.38Å; I184-L203 HydrophobicContact CD1-CD1 4.26Å; I184-L203 HydrophobicContact CG2-CD1 3.68Å; I184-L203 HydrophobicContact CG2-CD2 4.48Å; P189-L203 HydrophobicContact CG-CD2 4.29Å; L203-D207 VanDerWaalsContact CA-OD2 3.29Å; L203-D207 WeakPolarHBondContact CA-OD2 3.47Å; L203-V211 HydrophobicContact CD1-CG1 3.87Å; L203-V211 HydrophobicContact CD2-CG1 4.18Å; L203-V211 HydrophobicContact CG-CG1 4.12Å; L203-V213 HydrophobicContact CD2-CG2 4.2Å; L203-I232 HydrophobicContact CB-CD1 3.98Å; L203-I232 HydrophobicContact CD2-CD1 4.07Å; L203-I232 HydrophobicContact CG-CD1 4.2Å | ||
| 204 | S | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | trans | -140.8 | 162 | -179.3 | 95.2 | 0 | 0 | 0 | 0 | 111.4 | R202 D206 D207 V211 I232 | R202-S204 PolarHBondContact O-N 3.26Å; S204-D206 PolarHBondContact O-N 3.41Å; S204-D206 PolarHBondContact OG-N 2.9Å; S204-D206 VanDerWaalsContact OG-N 3.15Å; S204-D207 PolarHBondContact N-OD2 3.14Å; S204-D207 PolarHBondContact O-N 2.86Å; S204-D207 PolarHBondContact OG-OD1 3.03Å; S204-V211 WeakPolarHBondContact O-CG2 3.38Å; S204-I232 CarbonylContact C-O 3.56Å; S204-I232 VanDerWaalsContact C-O 3.31Å; S204-I232 WeakPolarHBondContact CA-O 3.33Å | ||
| 205 | P | 96.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 5% | 0.045 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.5 | 175.9 | -17.4 | 30.6 | 0 | 0 | 0 | 114.5 | I232 N325 | P205-I232 VanDerWaalsContact CD-O 3.29Å; P205-I232 WeakPolarHBondContact CD-O 3.35Å; P205-N325 WeakPolarHBondContact CG-OD1 3.19Å |
| 206 | D | 95.8 | Very high | 96.6 | Very high | 86 Ų | 86 | 34.4 Ų | 34.4 | 46% | 0.46 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -7.9 | -178.5 | -74.9 | -41 | 0 | 0 | 0 | 112.9 | S204 A208 R324 | S204-D206 PolarHBondContact O-N 3.41Å; S204-D206 PolarHBondContact OG-N 2.9Å; S204-D206 VanDerWaalsContact OG-N 3.15Å; D206-A208 VanDerWaalsContact C-N 3.27Å; D206-A208 PolarHBondContact O-N 3.41Å; D206-R324 VanDerWaalsContact CG-NH1 3.34Å; D206-R324 IonicContact OD1-CZ 3.04Å; D206-R324 IonicContact OD1-NH1 3.67Å; D206-R324 PolarHBondContact OD1-NH1 2.79Å; D206-R324 IonicContact OD1-NH2 4Å; D206-R324 PolarHBondContact OD1-NH2 2.05Å; D206-R324 IonicContact OD2-CZ 2.8Å; D206-R324 IonicContact OD2-NH1 2.58Å; D206-R324 PolarHBondContact OD2-NH1 2.86Å; D206-R324 IonicContact OD2-NH2 3.79Å |
| 207 | D | 98.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -77.3 | -12.7 | -175.3 | -53.7 | -8.2 | 0 | 0 | 0 | 112.8 | G171 G174 T175 I184 L203 S204 | G171-D207 WeakPolarHBondContact CA-OD2 3.35Å; G174-D207 CarbonylContact C-O 3.59Å; G174-D207 WeakPolarHBondContact CA-O 3.25Å; T175-D207 PolarHBondContact OG1-OD1 3.22Å; I184-D207 HydrophobicContact CD1-CB 3.7Å; L203-D207 VanDerWaalsContact CA-OD2 3.29Å; L203-D207 WeakPolarHBondContact CA-OD2 3.47Å; S204-D207 PolarHBondContact N-OD2 3.14Å; S204-D207 PolarHBondContact O-N 2.86Å; S204-D207 PolarHBondContact OG-OD1 3.03Å |
| 208 | A | 98 | Very high | 96.3 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 5% | 0.05 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -155.7 | 168.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L181 I184 D206 F210 V211 | L181-A208 HydrophobicContact CB-CB 4.02Å; L181-A208 CarbonylContact O-C 3.58Å; L181-A208 WeakPolarHBondContact O-CA 3.41Å; L181-A208 WeakPolarHBondContact O-CB 3.27Å; I184-A208 HydrophobicContact CB-CB 4.3Å; I184-A208 HydrophobicContact CD1-CB 3.76Å; I184-A208 HydrophobicContact CG1-CB 3.75Å; D206-A208 VanDerWaalsContact C-N 3.27Å; D206-A208 PolarHBondContact O-N 3.41Å; A208-F210 PolarHBondContact O-N 3.31Å; A208-V211 HydrophobicContact CB-CG2 3.98Å |
| 209 | D | 96.9 | Very high | 95.7 | Very high | 76 Ų | 76 | 31.1 Ų | 31.1 | 41% | 0.406 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -60.4 | -28.3 | 171.2 | -90.7 | -25.3 | 0 | 0 | 0 | 112 | T180 L181 G182 K319 | T180-D209 HydrophobicContact CG2-CB 4.23Å; T180-D209 WeakPolarHBondContact CG2-OD1 3.25Å; L181-D209 WeakPolarHBondContact O-CB 3.45Å; L181-D209 PolarHBondContact O-N 2.95Å; G182-D209 WeakPolarHBondContact O-CB 3.37Å; D209-K319 WeakPolarHBondContact O-CD 3.44Å; D209-K319 WeakPolarHBondContact O-CE 3.31Å; D209-K319 PolarHBondContact O-NZ 3.41Å |
| 210 | F | 97.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 33 Ų | 33 | 7% | 0.066 | 16% | 0.155 | C | C | . | . | trans | -147.6 | 122.1 | 173.4 | 178.2 | -138.3 | 0 | 0 | 0 | 111.2 | G182 R183 I184 A208 D212 D234 I235 A317 R318 K319 | G182-F210 PolarHBondContact O-N 3.33Å; R183-F210 CarbonylContact C-O 3.57Å; R183-F210 VanDerWaalsContact CA-O 3.25Å; R183-F210 WeakPolarHBondContact CA-O 3.4Å; R183-F210 HydrophobicContact CG-CB 4.45Å; R183-F210 HydrophobicContact CG-CD1 3.93Å; R183-F210 WeakPolarHBondContact CG-O 3.45Å; I184-F210 PolarHBondContact N-O 3.21Å; A208-F210 PolarHBondContact O-N 3.31Å; F210-D212 HydrophobicContact CE1-CB 4.16Å; F210-D212 HydrophobicContact CE2-CB 4.16Å; F210-D212 HydrophobicContact CZ-CB 3.71Å; F210-D234 WeakPolarHBondContact CA-OD2 3.3Å; F210-D234 HydrophobicContact CD2-CB 4Å; F210-D234 HydrophobicContact CE2-CB 4.11Å; F210-I235 HydrophobicContact CE2-CD1 4.13Å; F210-I235 HydrophobicContact CE2-CG1 4.02Å; F210-I235 HydrophobicContact CE2-CG2 4.33Å; F210-I235 HydrophobicContact CZ-CD1 3.71Å; F210-I235 HydrophobicContact CZ-CG1 4.06Å; F210-A317 HydrophobicContact CE1-CB 4.46Å; F210-A317 HydrophobicContact CZ-CB 4.32Å; F210-R318 VanDerWaalsContact CZ-C 3.5Å; F210-K319 HydrophobicContact CB-CB 4.28Å; F210-K319 HydrophobicContact CB-CD 4.43Å; F210-K319 HydrophobicContact CD2-CB 3.66Å; F210-K319 HydrophobicContact CD2-CG 3.9Å; F210-K319 HydrophobicContact CE2-CB 4.11Å; F210-K319 HydrophobicContact CG-CB 3.9Å; F210-K319 HydrophobicContact CG-CG 4.41Å | ||
| 211 | V | 98 | Very high | 93.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.3 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | I184 L203 S204 A208 V213 D234 I235 | I184-V211 HydrophobicContact CB-CG2 4.31Å; I184-V211 VanDerWaalsContact O-CA 3.32Å; I184-V211 WeakPolarHBondContact O-CA 3.01Å; L203-V211 HydrophobicContact CD1-CG1 3.87Å; L203-V211 HydrophobicContact CD2-CG1 4.18Å; L203-V211 HydrophobicContact CG-CG1 4.12Å; S204-V211 WeakPolarHBondContact O-CG2 3.38Å; A208-V211 HydrophobicContact CB-CG2 3.98Å; V211-V213 HydrophobicContact CG1-CG2 4.12Å; V211-D234 PolarHBondContact N-OD2 2.96Å; V211-D234 WeakPolarHBondContact O-CB 3.39Å; V211-D234 PolarHBondContact O-N 3.36Å; V211-I235 PolarHBondContact O-N 3.36Å |
| 212 | D | 98 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.6 | 175.2 | 68.2 | -63.9 | 0 | 0 | 0 | 112.6 | R183 I184 T185 G186 F210 I235 | R183-D212 IonicContact CZ-OD1 3.6Å; R183-D212 IonicContact CZ-OD2 3.43Å; R183-D212 IonicContact NE-OD1 3.22Å; R183-D212 PolarHBondContact NE-OD1 3.02Å; R183-D212 IonicContact NE-OD2 2.77Å; R183-D212 IonicContact NH2-OD1 2.72Å; R183-D212 PolarHBondContact NH2-OD1 3.28Å; R183-D212 IonicContact NH2-OD2 3.14Å; R183-D212 PolarHBondContact NH2-OD2 3.36Å; I184-D212 PolarHBondContact O-N 3.39Å; T185-D212 CarbonylContact C-O 3.25Å; T185-D212 VanDerWaalsContact CA-O 3.24Å; T185-D212 WeakPolarHBondContact CA-O 3.49Å; T185-D212 PolarHBondContact OG1-OD1 3.35Å; T185-D212 PolarHBondContact OG1-OD2 3.13Å; G186-D212 PolarHBondContact N-O 3.42Å; F210-D212 HydrophobicContact CE1-CB 4.16Å; F210-D212 HydrophobicContact CE2-CB 4.16Å; F210-D212 HydrophobicContact CZ-CB 3.71Å; D212-I235 HydrophobicContact CB-CD1 3.75Å; D212-I235 HydrophobicContact CB-CG1 3.47Å; D212-I235 VanDerWaalsContact CB-CG1 3.47Å |
| 213 | V | 98.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132 | -170.5 | -169.2 | 0 | 0 | 0 | 0 | 110.7 | G186 P189 L203 V211 H215 I232 I235 I237 | G186-V213 WeakPolarHBondContact O-CA 3.15Å; P189-V213 HydrophobicContact CG-CG1 3.6Å; L203-V213 HydrophobicContact CD2-CG2 4.2Å; V211-V213 HydrophobicContact CG1-CG2 4.12Å; V213-H215 VanDerWaalsContact CG1-NE2 3.34Å; V213-H215 WeakPolarHBondContact CG1-NE2 3.28Å; V213-I232 HydrophobicContact CG1-CG1 4.34Å; V213-I232 HydrophobicContact CG2-CG1 4.08Å; V213-I235 PolarHBondContact N-O 2.76Å; V213-I237 PolarHBondContact O-N 2.76Å |
| 214 | L | 98.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.4 | 170 | -63.4 | -175 | 0 | 0 | 0 | 108.9 | G186 L187 D188 I237 A271 L274 F275 | G186-L214 PolarHBondContact O-N 3.13Å; L187-L214 HydrophobicContact CD2-CD1 3.92Å; L187-L214 HydrophobicContact CD2-CG 4.38Å; D188-L214 WeakPolarHBondContact CA-O 3.3Å; D188-L214 PolarHBondContact N-O 3.4Å; L214-I237 HydrophobicContact CD2-CB 3.79Å; L214-I237 HydrophobicContact CD2-CD1 3.89Å; L214-I237 HydrophobicContact CD2-CG1 4.43Å; L214-I237 HydrophobicContact CD2-CG2 4.07Å; L214-A271 HydrophobicContact CB-CB 3.98Å; L214-A271 WeakPolarHBondContact CD1-O 3.46Å; L214-L274 HydrophobicContact CD1-CB 4.17Å; L214-F275 HydrophobicContact CD1-CB 4.44Å |
| 215 | H | 97.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -105.6 | 107.4 | 176.2 | -59 | -98.5 | 0 | 0 | 0 | 109.2 | D188 V213 T218 I228 Q230 D236 I237 Y238 P239 G242 | D188-H215 WeakPolarHBondContact OD1-CA 3.42Å; V213-H215 VanDerWaalsContact CG1-NE2 3.34Å; V213-H215 WeakPolarHBondContact CG1-NE2 3.28Å; H215-T218 HydrophobicContact CB-CG2 3.66Å; H215-I228 PolarHBondContact ND1-O 2.69Å; H215-Q230 PolarHBondContact CE1-O 3.12Å; H215-D236 IonicContact NE2-OD1 3.42Å; H215-D236 PolarHBondContact NE2-OD1 2.81Å; H215-I237 PolarHBondContact N-O 3.06Å; H215-Y238 HydrophobicContact CB-CD1 3.49Å; H215-Y238 VanDerWaalsContact CB-CD1 3.49Å; H215-Y238 HydrophobicContact CB-CE1 3.63Å; H215-Y238 HydrophobicContact CB-CG 4.16Å; H215-Y238 AromaticContact CD2-CE1 3.83Å; H215-Y238 AromaticContact CD2-CZ 3.72Å; H215-Y238 AromaticContact CG-CD1 3.92Å; H215-Y238 AromaticContact CG-CE1 3.56Å; H215-Y238 AromaticContact CG-CZ 3.92Å; H215-Y238 AromaticContact ND1-CE1 3.98Å; H215-Y238 AromaticContact NE2-CZ 3.96Å; H215-P239 VanDerWaalsContact O-CD 3.23Å; H215-P239 WeakPolarHBondContact O-CD 3.21Å; H215-G242 VanDerWaalsContact O-CA 3.32Å; H215-G242 WeakPolarHBondContact O-CA 3.29Å | ||
| 216 | T | 95.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -115.8 | -14.8 | -175.3 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | D188 P239 G242 Q245 E267 H268 R270 A271 L274 | D188-T216 PolarHBondContact OD1-N 2.66Å; D188-T216 PolarHBondContact OD2-OG1 3.01Å; T216-P239 HydrophobicContact CG2-CB 4.39Å; T216-P239 HydrophobicContact CG2-CG 3.92Å; T216-G242 CarbonylContact C-O 3.52Å; T216-G242 VanDerWaalsContact C-O 3.25Å; T216-Q245 WeakPolarHBondContact O-CG 3.17Å; T216-Q245 PolarHBondContact O-NE2 3.38Å; T216-E267 VanDerWaalsContact CB-O 3.23Å; T216-E267 WeakPolarHBondContact CB-O 3.22Å; T216-E267 PolarHBondContact OG1-O 3.36Å; T216-H268 PolarHBondContact OG1-O 3.17Å; T216-R270 HydrophobicContact CG2-CB 4.23Å; T216-R270 HydrophobicContact CG2-CG 4.14Å; T216-A271 HydrophobicContact CG2-CB 4.05Å; T216-A271 WeakPolarHBondContact OG1-CB 3.38Å; T216-A271 PolarHBondContact OG1-N 3.02Å; T216-L274 HydrophobicContact CG2-CD1 3.92Å | ||
| 217 | Y | 91.3 | Very high | 86.7 | Confident | 20 Ų | 20 | 33.1 Ų | 33.1 | 8% | 0.078 | 18% | 0.184 | C | C | . | . | trans | -137.7 | 64.6 | 176.7 | -162 | -167 | 0 | 0 | 0 | 115 | D188 R219 S225 I226 G227 G242 M264 E267 H268 | D188-Y217 PolarHBondContact OD1-N 3.19Å; D188-Y217 VanDerWaalsContact OD1-N 3.12Å; D188-Y217 VanDerWaalsContact OD2-CB 3.26Å; D188-Y217 WeakPolarHBondContact OD2-CB 3.4Å; D188-Y217 PolarHBondContact OD2-N 3.21Å; Y217-R219 HydrophobicContact CD2-CB 4.35Å; Y217-R219 HydrophobicContact CE2-CB 4.18Å; Y217-S225 PolarHBondContact O-OG 2.66Å; Y217-I226 HydrophobicContact CD1-CB 3.83Å; Y217-I226 HydrophobicContact CD1-CD1 3.74Å; Y217-I226 HydrophobicContact CD1-CG1 4.28Å; Y217-I226 HydrophobicContact CD1-CG2 4.3Å; Y217-I226 HydrophobicContact CE1-CB 4.16Å; Y217-I226 HydrophobicContact CE1-CD1 3.25Å; Y217-I226 HydrophobicContact CE1-CG1 4.08Å; Y217-I226 HydrophobicContact CG-CB 4.49Å; Y217-G227 WeakPolarHBondContact O-CA 3.47Å; Y217-G227 PolarHBondContact O-N 2.71Å; Y217-G242 CarbonylContact C-O 3.6Å; Y217-G242 WeakPolarHBondContact CA-O 3.36Å; Y217-G242 PolarHBondContact N-O 2.83Å; Y217-M264 HydrophobicContact CE1-CB 4.32Å; Y217-M264 WeakPolarHBondContact CE1-O 3.36Å; Y217-M264 HydrophobicContact CE1-SD 3.89Å; Y217-M264 PolarHBondContact OH-SD 3.04Å; Y217-E267 HydrophobicContact CD1-CB 3.84Å; Y217-E267 HydrophobicContact CD2-CB 3.79Å; Y217-E267 HydrophobicContact CD2-CG 4.25Å; Y217-E267 HydrophobicContact CE1-CB 4.33Å; Y217-E267 HydrophobicContact CE2-CB 4.34Å; Y217-E267 HydrophobicContact CE2-CG 4.48Å; Y217-E267 HydrophobicContact CG-CB 3.53Å; Y217-E267 HydrophobicContact CG-CG 4.46Å; Y217-H268 HydrophobicContact CD1-CB 4.28Å | ||
| 218 | T | 89.7 | Confident | 86.6 | Confident | 18 Ų | 18 | 32.9 Ų | 32.9 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | trans | -91.9 | 7.5 | -179.3 | 73.9 | 0 | 0 | 0 | 0 | 113.8 | H215 S225 I228 Y238 G242 | H215-T218 HydrophobicContact CB-CG2 3.66Å; T218-S225 WeakPolarHBondContact CA-OG 3.28Å; T218-S225 PolarHBondContact O-OG 2.9Å; T218-I228 WeakPolarHBondContact CG2-O 3.39Å; T218-Y238 HydrophobicContact CG2-CD1 4.3Å; T218-Y238 HydrophobicContact CG2-CE1 4.24Å; T218-G242 PolarHBondContact N-O 3.14Å; T218-G242 PolarHBondContact OG1-O 2.82Å; T218-G242 VanDerWaalsContact OG1-O 3.11Å | ||
| 219 | R | 82.4 | Confident | 86.4 | Confident | 111 Ų | 111 | 35.8 Ų | 35.8 | 42% | 0.419 | 20% | 0.195 | S | C | . | . | trans | -77.9 | 127.1 | -178.2 | 177.1 | 179.7 | 171.6 | -169.2 | -2.8 | 109.1 | Y217 A221 D243 E252 | Y217-R219 HydrophobicContact CD2-CB 4.35Å; Y217-R219 HydrophobicContact CE2-CB 4.18Å; R219-A221 PolarHBondContact O-N 3.33Å; R219-D243 HydrophobicContact CB-CB 4.38Å; R219-E252 IonicContact CZ-OE1 2.87Å; R219-E252 IonicContact NH1-OE1 2.63Å; R219-E252 PolarHBondContact NH1-OE1 3.33Å; R219-E252 IonicContact NH2-OE1 3.61Å | ||
| 220 | E | 76.7 | Confident | 86.3 | Confident | 114 Ų | 114 | 34.2 Ų | 34.2 | 53% | 0.533 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 122.6 | 170.2 | -67.7 | 175.3 | -169.1 | 0 | 0 | 110.5 | Q229 | E220-Q229 PolarHBondContact OE1-NE2 3.28Å |
| 221 | A | 60.9 | Low | 86.2 | Confident | 36 Ų | 36 | 34.8 Ų | 34.8 | 30% | 0.298 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | R219 G223 V224 | R219-A221 PolarHBondContact O-N 3.33Å; A221-G223 PolarHBondContact O-N 3.34Å; A221-V224 PolarHBondContact N-O 2.86Å; A221-V224 PolarHBondContact O-N 3.24Å; A221-V224 VanDerWaalsContact O-O 3.06Å |
| 222 | L | 58.3 | Low | 86.2 | Confident | 147 Ų | 147 | 34.8 Ų | 34.8 | 77% | 0.77 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 35.4 | -178 | -54.1 | 172.3 | 0 | 0 | 0 | 113.7 | L12 V224 | L12-L222 HydrophobicContact CD2-CD1 3.6Å; L222-V224 VanDerWaalsContact C-N 3.34Å |
| 223 | G | 59.2 | Low | 86.1 | Confident | 57 Ų | 57 | 34.8 Ų | 34.8 | 59% | 0.588 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 4.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A221 | A221-G223 PolarHBondContact O-N 3.34Š|
| 224 | V | 65.2 | Low | 86 | Confident | 41 Ų | 41 | 35.6 Ų | 35.6 | 25% | 0.248 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.1 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | V15 L19 P192 A221 L222 | V15-V224 HydrophobicContact CG1-CG2 3.71Å; L19-V224 HydrophobicContact CD1-CG2 4.4Å; P192-V224 HydrophobicContact CB-CG1 4.13Å; P192-V224 HydrophobicContact CG-CG1 3.66Å; A221-V224 PolarHBondContact N-O 2.86Å; A221-V224 PolarHBondContact O-N 3.24Å; A221-V224 VanDerWaalsContact O-O 3.06Å; L222-V224 VanDerWaalsContact C-N 3.34Å |
| 225 | S | 81.4 | Confident | 85.9 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136.1 | 170.5 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | P192 Y217 T218 G227 | P192-S225 VanDerWaalsContact CD-O 3.28Å; P192-S225 WeakPolarHBondContact CD-O 3.32Å; Y217-S225 PolarHBondContact O-OG 2.66Å; T218-S225 WeakPolarHBondContact CA-OG 3.28Å; T218-S225 PolarHBondContact O-OG 2.9Å; S225-G227 WeakPolarHBondContact CB-O 3.49Å; S225-G227 PolarHBondContact OG-O 2.82Å |
| 226 | I | 87.3 | Confident | 85.8 | Confident | 40 Ų | 40 | 35.6 Ų | 35.6 | 21% | 0.205 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -72 | -48.8 | 177.6 | -70 | 173.2 | 0 | 0 | 0 | 111 | G191 P192 Y217 M264 | G191-I226 PolarHBondContact N-O 3.05Å; P192-I226 WeakPolarHBondContact CD-O 3.5Å; Y217-I226 HydrophobicContact CD1-CB 3.83Å; Y217-I226 HydrophobicContact CD1-CD1 3.74Å; Y217-I226 HydrophobicContact CD1-CG1 4.28Å; Y217-I226 HydrophobicContact CD1-CG2 4.3Å; Y217-I226 HydrophobicContact CE1-CB 4.16Å; Y217-I226 HydrophobicContact CE1-CD1 3.25Å; Y217-I226 HydrophobicContact CE1-CG1 4.08Å; Y217-I226 HydrophobicContact CG-CB 4.49Å; I226-M264 HydrophobicContact CD1-CB 3.68Å; I226-M264 HydrophobicContact CD1-CE 3.21Å; I226-M264 HydrophobicContact CD1-CG 3.95Å; I226-M264 HydrophobicContact CD1-SD 3.59Å; I226-M264 VanDerWaalsContact CD1-SD 3.59Å; I226-M264 HydrophobicContact CG1-CE 3.93Å |
| 227 | G | 92.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -84.7 | 147.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P189 Y217 S225 | P189-G227 CarbonylContact O-C 3.54Å; P189-G227 WeakPolarHBondContact O-CA 3.07Å; Y217-G227 WeakPolarHBondContact O-CA 3.47Å; Y217-G227 PolarHBondContact O-N 2.71Å; S225-G227 WeakPolarHBondContact CB-O 3.49Å; S225-G227 PolarHBondContact OG-O 2.82Å |
| 228 | I | 94.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -67 | 135.2 | 175.5 | -159.5 | 171.9 | 0 | 0 | 0 | 110.4 | P189 F194 E195 H215 T218 Q230 I232 | P189-I228 HydrophobicContact CB-CG2 3.91Å; P189-I228 HydrophobicContact CG-CG2 4.43Å; P189-I228 PolarHBondContact O-N 3.08Å; F194-I228 HydrophobicContact CB-CD1 4.31Å; E195-I228 HydrophobicContact CB-CG1 4.45Å; E195-I228 WeakPolarHBondContact OE2-CG1 3.27Å; H215-I228 PolarHBondContact ND1-O 2.69Å; T218-I228 WeakPolarHBondContact CG2-O 3.39Å; I228-Q230 HydrophobicContact CD1-CG 3.84Å; I228-Q230 HydrophobicContact CG1-CG 3.93Å; I228-I232 HydrophobicContact CD1-CD1 4.27Å; I228-I232 HydrophobicContact CD1-CG2 3.94Å; I228-I232 HydrophobicContact CG2-CD1 3.81Å; I228-I232 HydrophobicContact CG2-CG1 4.35Å | ||
| 229 | Q | 94.4 | Very high | 86.6 | Confident | 68 Ų | 68 | 34.2 Ų | 34.2 | 32% | 0.318 | 19% | 0.187 | S | C | . | . | trans | -88 | -40.3 | -178 | -49 | -170.6 | 40 | 0 | 0 | 111.8 | E195 E220 Y238 | E195-Q229 WeakPolarHBondContact OE2-CA 3.17Å; E195-Q229 WeakPolarHBondContact OE2-CB 3.13Å; E195-Q229 PolarHBondContact OE2-N 2.78Å; E220-Q229 PolarHBondContact OE1-NE2 3.28Å; Q229-Y238 PolarHBondContact O-OH 3.47Å | ||
| 230 | Q | 94.3 | Very high | 87.2 | Confident | 43 Ų | 43 | 29.1 Ų | 29.1 | 20% | 0.201 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -65 | 145.5 | -178.4 | 70 | -173.5 | -0.7 | 0 | 0 | 111.5 | E195 H215 I228 I232 | E195-Q230 WeakPolarHBondContact OE1-CB 3.02Å; E195-Q230 WeakPolarHBondContact OE1-CG 3.42Å; E195-Q230 PolarHBondContact OE1-N 3.12Å; E195-Q230 PolarHBondContact OE1-OE1 3.48Å; H215-Q230 PolarHBondContact CE1-O 3.12Å; I228-Q230 HydrophobicContact CD1-CG 3.84Å; I228-Q230 HydrophobicContact CG1-CG 3.93Å; Q230-I232 HydrophobicContact CG-CG2 3.7Å; Q230-I232 PolarHBondContact O-N 3.13Å |
| 231 | P | 96.3 | Very high | 87.9 | Confident | 26 Ų | 26 | 24.2 Ų | 24.2 | 17% | 0.169 | 15% | 0.149 | C | C | . | . | trans | -69.5 | 129.5 | 173.4 | 30.5 | -33.7 | 0 | 0 | 0 | 109.4 | D236 N325 K327 | P231-D236 VanDerWaalsContact CA-CG 3.45Å; P231-D236 VanDerWaalsContact CA-OD1 3.24Å; P231-D236 WeakPolarHBondContact CA-OD1 3.34Å; P231-D236 HydrophobicContact CB-CB 3.95Å; P231-D236 WeakPolarHBondContact CB-OD2 3.29Å; P231-N325 HydrophobicContact CB-CB 4.02Å; P231-N325 HydrophobicContact CG-CB 4.08Å; P231-K327 HydrophobicContact CB-CG 4.36Å; P231-K327 VanDerWaalsContact CG-CE 3.49Å | ||
| 232 | I | 96.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | trans | -130.5 | 6.6 | -175.6 | 63.3 | 169.1 | 0 | 0 | 0 | 113.8 | P189 L203 S204 P205 V213 I228 Q230 D236 | P189-I232 HydrophobicContact CB-CD1 3.92Å; P189-I232 HydrophobicContact CG-CD1 3.98Å; L203-I232 HydrophobicContact CB-CD1 3.98Å; L203-I232 HydrophobicContact CD2-CD1 4.07Å; L203-I232 HydrophobicContact CG-CD1 4.2Å; S204-I232 CarbonylContact C-O 3.56Å; S204-I232 VanDerWaalsContact C-O 3.31Å; S204-I232 WeakPolarHBondContact CA-O 3.33Å; P205-I232 VanDerWaalsContact CD-O 3.29Å; P205-I232 WeakPolarHBondContact CD-O 3.35Å; V213-I232 HydrophobicContact CG1-CG1 4.34Å; V213-I232 HydrophobicContact CG2-CG1 4.08Å; I228-I232 HydrophobicContact CD1-CD1 4.27Å; I228-I232 HydrophobicContact CD1-CG2 3.94Å; I228-I232 HydrophobicContact CG2-CD1 3.81Å; I228-I232 HydrophobicContact CG2-CG1 4.35Å; Q230-I232 HydrophobicContact CG-CG2 3.7Å; Q230-I232 PolarHBondContact O-N 3.13Å; I232-D236 PolarHBondContact N-OD1 2.84Å | ||
| 233 | G | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -119.3 | -177.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I235 D236 N325 | G233-I235 VanDerWaalsContact C-N 3.26Å; G233-D236 PolarHBondContact N-OD1 3.41Å; G233-N325 WeakPolarHBondContact O-CA 3.41Å; G233-N325 PolarHBondContact O-N 3.25Å; G233-N325 VanDerWaalsContact O-N 3.13Å; G233-N325 PolarHBondContact O-OD1 3.07Å; G233-N325 VanDerWaalsContact O-OD1 3.07Å |
| 234 | D | 95.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 17.6 Ų | 17.6 | 9% | 0.086 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -63.5 | -40.2 | 164.7 | -73.5 | -65.8 | 0 | 0 | 0 | 110.6 | F210 V211 N325 S326 | F210-D234 WeakPolarHBondContact CA-OD2 3.3Å; F210-D234 HydrophobicContact CD2-CB 4Å; F210-D234 HydrophobicContact CE2-CB 4.11Å; V211-D234 PolarHBondContact N-OD2 2.96Å; V211-D234 WeakPolarHBondContact O-CB 3.39Å; V211-D234 PolarHBondContact O-N 3.36Å; D234-N325 PolarHBondContact O-N 2.81Å; D234-S326 PolarHBondContact O-N 2.81Å; D234-S326 VanDerWaalsContact O-N 3.12Å |
| 235 | I | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134.8 | 173.6 | 70.9 | 174.2 | 0 | 0 | 0 | 110.4 | F210 V211 D212 V213 G233 I237 A317 M320 | F210-I235 HydrophobicContact CE2-CD1 4.13Å; F210-I235 HydrophobicContact CE2-CG1 4.02Å; F210-I235 HydrophobicContact CE2-CG2 4.33Å; F210-I235 HydrophobicContact CZ-CD1 3.71Å; F210-I235 HydrophobicContact CZ-CG1 4.06Å; V211-I235 PolarHBondContact O-N 3.36Å; D212-I235 HydrophobicContact CB-CD1 3.75Å; D212-I235 HydrophobicContact CB-CG1 3.47Å; D212-I235 VanDerWaalsContact CB-CG1 3.47Å; V213-I235 PolarHBondContact N-O 2.76Å; G233-I235 VanDerWaalsContact C-N 3.26Å; I235-I237 HydrophobicContact CD1-CD1 4.11Å; I235-A317 HydrophobicContact CD1-CB 3.79Å; I235-M320 HydrophobicContact CG2-CE 3.81Å; I235-M320 HydrophobicContact CG2-CG 4.16Å |
| 236 | D | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 108.9 | -178.5 | -56.5 | -89.4 | 0 | 0 | 0 | 107.4 | H215 P231 I232 G233 Y238 S326 K327 M328 | H215-D236 IonicContact NE2-OD1 3.42Å; H215-D236 PolarHBondContact NE2-OD1 2.81Å; P231-D236 VanDerWaalsContact CA-CG 3.45Å; P231-D236 VanDerWaalsContact CA-OD1 3.24Å; P231-D236 WeakPolarHBondContact CA-OD1 3.34Å; P231-D236 HydrophobicContact CB-CB 3.95Å; P231-D236 WeakPolarHBondContact CB-OD2 3.29Å; I232-D236 PolarHBondContact N-OD1 2.84Å; G233-D236 PolarHBondContact N-OD1 3.41Å; D236-Y238 HydrophobicContact CB-CE2 3.67Å; D236-Y238 WeakPolarHBondContact O-CD2 3.11Å; D236-S326 PolarHBondContact N-O 2.83Å; D236-K327 CarbonylContact O-C 3.53Å; D236-K327 WeakPolarHBondContact O-CA 3.36Å; D236-M328 PolarHBondContact O-N 2.96Å |
| 237 | I | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.5 | -175.2 | -58.6 | 160.4 | 0 | 0 | 0 | 107.6 | V213 L214 H215 I235 P239 A288 I313 M328 L330 | V213-I237 PolarHBondContact O-N 2.76Å; L214-I237 HydrophobicContact CD2-CB 3.79Å; L214-I237 HydrophobicContact CD2-CD1 3.89Å; L214-I237 HydrophobicContact CD2-CG1 4.43Å; L214-I237 HydrophobicContact CD2-CG2 4.07Å; H215-I237 PolarHBondContact N-O 3.06Å; I235-I237 HydrophobicContact CD1-CD1 4.11Å; I237-P239 HydrophobicContact CG2-CG 4.31Å; I237-P239 VanDerWaalsContact O-CD 3.24Å; I237-P239 WeakPolarHBondContact O-CD 3.37Å; I237-A288 HydrophobicContact CG1-CB 4.14Å; I237-A288 HydrophobicContact CG2-CB 3.75Å; I237-I313 HydrophobicContact CD1-CB 4.21Å; I237-I313 HydrophobicContact CD1-CG2 4.09Å; I237-I313 HydrophobicContact CG2-CG2 4.04Å; I237-M328 CarbonylContact C-O 3.58Å; I237-M328 WeakPolarHBondContact CA-O 2.94Å; I237-M328 HydrophobicContact CG1-CB 4.16Å; I237-L330 HydrophobicContact CG2-CD2 3.46Å; I237-L330 VanDerWaalsContact CG2-CD2 3.46Å |
| 238 | Y | 97.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 18.3 Ų | 18.3 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 80.7 | -179.8 | -62.8 | -98.1 | 0 | 0 | 0 | 109.5 | H215 T218 Q229 D236 N240 G241 K327 M328 Y329 | H215-Y238 HydrophobicContact CB-CD1 3.49Å; H215-Y238 VanDerWaalsContact CB-CD1 3.49Å; H215-Y238 HydrophobicContact CB-CE1 3.63Å; H215-Y238 HydrophobicContact CB-CG 4.16Å; H215-Y238 AromaticContact CD2-CE1 3.83Å; H215-Y238 AromaticContact CD2-CZ 3.72Å; H215-Y238 AromaticContact CG-CD1 3.92Å; H215-Y238 AromaticContact CG-CE1 3.56Å; H215-Y238 AromaticContact CG-CZ 3.92Å; H215-Y238 AromaticContact ND1-CE1 3.98Å; H215-Y238 AromaticContact NE2-CZ 3.96Å; T218-Y238 HydrophobicContact CG2-CD1 4.3Å; T218-Y238 HydrophobicContact CG2-CE1 4.24Å; Q229-Y238 PolarHBondContact O-OH 3.47Å; D236-Y238 HydrophobicContact CB-CE2 3.67Å; D236-Y238 WeakPolarHBondContact O-CD2 3.11Å; Y238-N240 PolarHBondContact O-N 2.96Å; Y238-G241 PolarHBondContact O-N 2.76Å; Y238-G241 VanDerWaalsContact O-N 3.14Å; Y238-K327 HydrophobicContact CD2-CB 4.49Å; Y238-K327 HydrophobicContact CE2-CB 4.13Å; Y238-K327 HydrophobicContact CE2-CD 4.14Å; Y238-K327 HydrophobicContact CE2-CG 3.92Å; Y238-M328 PolarHBondContact N-O 3.32Å; Y238-Y329 HydrophobicContact CD2-CE1 4.19Å; Y238-Y329 HydrophobicContact CG-CE1 4.05Å |
| 239 | P | 96.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 130.6 | 174.4 | -21.6 | 32.8 | 0 | 0 | 0 | 111 | H215 T216 I237 G241 G242 Q245 L274 L330 T332 | H215-P239 VanDerWaalsContact O-CD 3.23Å; H215-P239 WeakPolarHBondContact O-CD 3.21Å; T216-P239 HydrophobicContact CG2-CB 4.39Å; T216-P239 HydrophobicContact CG2-CG 3.92Å; I237-P239 HydrophobicContact CG2-CG 4.31Å; I237-P239 VanDerWaalsContact O-CD 3.24Å; I237-P239 WeakPolarHBondContact O-CD 3.37Å; P239-G241 PolarHBondContact O-N 2.98Å; P239-G242 PolarHBondContact O-N 3.26Å; P239-Q245 PolarHBondContact O-NE2 3.46Å; P239-L274 HydrophobicContact CB-CD1 3.77Å; P239-L274 HydrophobicContact CG-CD1 3.49Å; P239-L274 VanDerWaalsContact CG-CD1 3.49Å; P239-L330 HydrophobicContact CB-CD2 3.97Å; P239-L330 HydrophobicContact CG-CD2 3.94Å; P239-T332 HydrophobicContact CB-CG2 4.23Å |
| 240 | N | 94.6 | Very high | 88.7 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 0.9 | -178.9 | -55.6 | -68.1 | 0 | 0 | 0 | 116.6 | Y238 Q245 P246 L330 K331 T332 | Y238-N240 PolarHBondContact O-N 2.96Å; N240-Q245 PolarHBondContact ND2-OE1 3.01Å; N240-P246 VanDerWaalsContact CG-CD 3.42Å; N240-P246 WeakPolarHBondContact ND2-CD 3.31Å; N240-L330 WeakPolarHBondContact CA-O 3.37Å; N240-L330 PolarHBondContact N-O 2.72Å; N240-K331 HydrophobicContact CB-CD 4.44Å; N240-K331 PolarHBondContact O-NZ 3.2Å; N240-K331 VanDerWaalsContact O-NZ 3.15Å; N240-K331 WeakPolarHBondContact OD1-CA 3.28Å; N240-K331 VanDerWaalsContact OD1-CD 3.31Å; N240-K331 WeakPolarHBondContact OD1-CD 3.47Å; N240-T332 PolarHBondContact ND2-OG1 3.16Å; N240-T332 PolarHBondContact OD1-N 3.01Å |
| 241 | G | 92 | Very high | 86.4 | Confident | 11 Ų | 11 | 22.6 Ų | 22.6 | 11% | 0.113 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 119.4 | -12.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y238 P239 | Y238-G241 PolarHBondContact O-N 2.76Å; Y238-G241 VanDerWaalsContact O-N 3.14Å; P239-G241 PolarHBondContact O-N 2.98Å |
| 242 | G | 89.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 84.8 | -7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H215 T216 Y217 T218 P239 | H215-G242 VanDerWaalsContact O-CA 3.32Å; H215-G242 WeakPolarHBondContact O-CA 3.29Å; T216-G242 CarbonylContact C-O 3.52Å; T216-G242 VanDerWaalsContact C-O 3.25Å; Y217-G242 CarbonylContact C-O 3.6Å; Y217-G242 WeakPolarHBondContact CA-O 3.36Å; Y217-G242 PolarHBondContact N-O 2.83Å; T218-G242 PolarHBondContact N-O 3.14Å; T218-G242 PolarHBondContact OG1-O 2.82Å; T218-G242 VanDerWaalsContact OG1-O 3.11Å; P239-G242 PolarHBondContact O-N 3.26Å |
| 243 | D | 82.8 | Confident | 81.2 | Confident | 54 Ų | 54 | 35.3 Ų | 35.3 | 29% | 0.289 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -87.8 | -77.2 | -171.4 | 50.8 | 6.4 | 0 | 0 | 0 | 113.3 | R219 | R219-D243 HydrophobicContact CB-CB 4.38Š|
| 244 | V | 82.9 | Confident | 78.7 | Confident | 48 Ų | 48 | 39.8 Ų | 39.8 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | trans | -121.6 | 124.9 | -173.9 | 179.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 245 | Q | 90.4 | Very high | 76.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -88.4 | 132.2 | -178.4 | -56.3 | -55.5 | -43.6 | 0 | 0 | 110.8 | T216 P239 N240 G247 C248 E267 R270 | T216-Q245 WeakPolarHBondContact O-CG 3.17Å; T216-Q245 PolarHBondContact O-NE2 3.38Å; P239-Q245 PolarHBondContact O-NE2 3.46Å; N240-Q245 PolarHBondContact ND2-OE1 3.01Å; Q245-G247 PolarHBondContact O-N 2.74Å; Q245-C248 WeakPolarHBondContact O-CB 3.45Å; Q245-C248 PolarHBondContact O-N 3.49Å; Q245-C248 VanDerWaalsContact O-N 3.1Å; Q245-E267 HydrophobicContact CB-CG 4.3Å; Q245-E267 HydrophobicContact CG-CB 4.26Å; Q245-E267 HydrophobicContact CG-CG 4.25Å; Q245-R270 HydrophobicContact CB-CB 4.26Å; Q245-R270 HydrophobicContact CB-CG 3.98Å; Q245-R270 HydrophobicContact CG-CB 3.88Å; Q245-R270 HydrophobicContact CG-CG 3.75Å | ||
| 246 | P | 89.3 | Confident | 73.8 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 28% | 0.279 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 133 | 177.4 | -28.2 | 36.6 | 0 | 0 | 0 | 111.8 | N240 R270 A334 | N240-P246 VanDerWaalsContact CG-CD 3.42Å; N240-P246 WeakPolarHBondContact ND2-CD 3.31Å; P246-R270 PolarHBondContact O-NH2 2.86Å; P246-A334 HydrophobicContact CB-CB 4.05Å; P246-A334 VanDerWaalsContact O-CA 3.32Å; P246-A334 WeakPolarHBondContact O-CA 3.1Å |
| 247 | G | 83.8 | Confident | 71.3 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 58% | 0.577 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | -8.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q245 | Q245-G247 PolarHBondContact O-N 2.74Š|
| 248 | C | 78.8 | Confident | 68.8 | Low | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -16.3 | 174.5 | -62.8 | 0 | 0 | 0 | 0 | 113.7 | Q245 L250 G251 C266 E267 | Q245-C248 WeakPolarHBondContact O-CB 3.45Å; Q245-C248 PolarHBondContact O-N 3.49Å; Q245-C248 VanDerWaalsContact O-N 3.1Å; C248-L250 PolarHBondContact O-N 2.89Å; C248-L250 VanDerWaalsContact O-N 3.08Å; C248-G251 PolarHBondContact O-N 2.82Å; C248-C266 WeakPolarHBondContact CA-SG 3.34Å; C248-C266 HydrophobicContact CB-CB 3.68Å; C248-C266 WeakPolarHBondContact CB-SG 3.43Å; C248-C266 WeakPolarHBondContact SG-CB 3.43Å; C248-C266 CovalentContact SG-SG 2.05Å; C248-C266 PolarHBondContact SG-SG 3.33Å; C248-E267 HydrophobicContact CB-CG 3.94Å; C248-E267 WeakPolarHBondContact CB-OE1 3.49Å |
| 249 | A | 61.6 | Low | 66.5 | Low | 62 Ų | 62 | 55.5 Ų | 55.5 | 51% | 0.512 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G251 E252 | A249-G251 PolarHBondContact O-N 2.84Å; A249-E252 PolarHBondContact O-N 3.21Å |
| 250 | L | 52.4 | Low | 64.1 | Low | 131 Ų | 131 | 59.2 Ų | 59.2 | 69% | 0.686 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -15.8 | 170.8 | -157.2 | 73.7 | 0 | 0 | 0 | 111.7 | C248 M253 L254 | C248-L250 PolarHBondContact O-N 2.89Å; C248-L250 VanDerWaalsContact O-N 3.08Å; L250-M253 PolarHBondContact O-N 3.17Å; L250-L254 HydrophobicContact CD2-CD1 4.4Å; L250-L254 HydrophobicContact CG-CD1 4.43Å; L250-L254 PolarHBondContact O-N 2.82Å |
| 251 | G | 45.5 | Very low | 62 | Low | 8 Ų | 8 | 63.4 Ų | 63.4 | 8% | 0.082 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.8 | -26.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C248 A249 M253 L254 A255 V263 | C248-G251 PolarHBondContact O-N 2.82Å; A249-G251 PolarHBondContact O-N 2.84Å; G251-M253 VanDerWaalsContact C-N 3.31Å; G251-M253 PolarHBondContact O-N 2.83Å; G251-L254 PolarHBondContact O-N 3.39Å; G251-A255 WeakPolarHBondContact O-CA 3.24Å; G251-A255 WeakPolarHBondContact O-CB 3.48Å; G251-A255 PolarHBondContact O-N 2.82Å; G251-V263 WeakPolarHBondContact O-CG2 3.44Å |
| 252 | E | 43.9 | Very low | 60 | Low | 127 Ų | 127 | 69.2 Ų | 69.2 | 59% | 0.593 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -68.7 | -30 | 177.2 | -71 | -168.2 | 169.8 | 0 | 0 | 112 | R219 A249 | R219-E252 IonicContact CZ-OE1 2.87Å; R219-E252 IonicContact NH1-OE1 2.63Å; R219-E252 PolarHBondContact NH1-OE1 3.33Å; R219-E252 IonicContact NH2-OE1 3.61Å; A249-E252 PolarHBondContact O-N 3.21Å |
| 253 | M | 40.3 | Very low | 58.3 | Low | 166 Ų | 166 | 70.3 Ų | 70.3 | 82% | 0.818 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -81.6 | -32.2 | 172.2 | -100.9 | -145.6 | 172.2 | 0 | 0 | 113.5 | L250 G251 | L250-M253 PolarHBondContact O-N 3.17Å; G251-M253 VanDerWaalsContact C-N 3.31Å; G251-M253 PolarHBondContact O-N 2.83Å |
| 254 | L | 43.7 | Very low | 57.1 | Low | 95 Ų | 95 | 69.2 Ų | 69.2 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -82.6 | -23.6 | 177.4 | -79.7 | 160.2 | 0 | 0 | 0 | 113.3 | L250 G251 A256 A257 | L250-L254 HydrophobicContact CD2-CD1 4.4Å; L250-L254 HydrophobicContact CG-CD1 4.43Å; L250-L254 PolarHBondContact O-N 2.82Å; G251-L254 PolarHBondContact O-N 3.39Å; L254-A256 PolarHBondContact O-N 2.8Å; L254-A257 WeakPolarHBondContact O-CA 3.49Å; L254-A257 WeakPolarHBondContact O-CB 3.35Å; L254-A257 PolarHBondContact O-N 3.02Å |
| 255 | A | 45.3 | Very low | 56.7 | Low | 28 Ų | 28 | 70.1 Ų | 70.1 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.2 | -33.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G251 A257 G258 F260 V263 | G251-A255 WeakPolarHBondContact O-CA 3.24Å; G251-A255 WeakPolarHBondContact O-CB 3.48Å; G251-A255 PolarHBondContact O-N 2.82Å; A255-A257 PolarHBondContact O-N 3.04Å; A255-G258 PolarHBondContact O-N 2.78Å; A255-F260 HydrophobicContact CB-CD2 4.27Å; A255-V263 HydrophobicContact CB-CG2 4.33Å |
| 256 | A | 44.4 | Very low | 56.3 | Low | 94 Ų | 94 | 72.3 Ų | 72.3 | 78% | 0.777 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L254 | L254-A256 PolarHBondContact O-N 2.8Š|
| 257 | A | 45.1 | Very low | 56.3 | Low | 80 Ų | 80 | 70.9 Ų | 70.9 | 66% | 0.661 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 5.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L254 A255 | L254-A257 WeakPolarHBondContact O-CA 3.49Å; L254-A257 WeakPolarHBondContact O-CB 3.35Å; L254-A257 PolarHBondContact O-N 3.02Å; A255-A257 PolarHBondContact O-N 3.04Å |
| 258 | G | 43.9 | Very low | 56.6 | Low | 63 Ų | 63 | 68.9 Ų | 68.9 | 65% | 0.649 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.1 | 5.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | A255 | A255-G258 PolarHBondContact O-N 2.78Š|
| 259 | N | 50.5 | Low | 57.2 | Low | 89 Ų | 89 | 70 Ų | 70 | 48% | 0.476 | 41% | 0.407 | S | S | . | . | trans | -101.5 | 45.6 | 177.5 | -86.2 | 8 | 0 | 0 | 0 | 113.4 | M261 E262 V263 | N259-M261 PolarHBondContact O-N 3.12Å; N259-M261 VanDerWaalsContact O-N 3.17Å; N259-E262 HydrophobicContact CB-CB 4.35Å; N259-E262 PolarHBondContact ND2-OE2 3.02Å; N259-E262 PolarHBondContact O-N 2.81Å; N259-E262 VanDerWaalsContact O-N 3.09Å; N259-V263 PolarHBondContact O-N 3Å | ||
| 260 | F | 46.6 | Very low | 58.8 | Low | 79 Ų | 79 | 67.7 Ų | 67.7 | 35% | 0.346 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.3 | -35.7 | -177 | -169.9 | -103.1 | 0 | 0 | 0 | 114 | L8 A255 E262 V263 M264 | L8-F260 HydrophobicContact CD1-CD1 4.42Å; A255-F260 HydrophobicContact CB-CD2 4.27Å; F260-E262 PolarHBondContact O-N 3.48Å; F260-V263 PolarHBondContact O-N 3.23Å; F260-M264 HydrophobicContact CD1-CG 4.14Å; F260-M264 HydrophobicContact CE1-CE 3.79Å; F260-M264 HydrophobicContact CE1-CG 3.88Å; F260-M264 HydrophobicContact CE1-SD 4.03Å; F260-M264 HydrophobicContact CZ-CE 3.86Å; F260-M264 HydrophobicContact CZ-CG 4.27Å; F260-M264 HydrophobicContact CZ-SD 3.9Å; F260-M264 WeakPolarHBondContact O-CG 3.45Å; F260-M264 PolarHBondContact O-N 3.2Å |
| 261 | M | 50.3 | Low | 60.9 | Low | 91 Ų | 91 | 61.5 Ų | 61.5 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.8 | -25.7 | 179.1 | -86.1 | -106.4 | 52.2 | 0 | 0 | 114.7 | W87 N259 K265 | W87-M261 HydrophobicContact CZ3-CE 4.4Å; N259-M261 PolarHBondContact O-N 3.12Å; N259-M261 VanDerWaalsContact O-N 3.17Å; M261-K265 WeakPolarHBondContact O-CG 3.24Å |
| 262 | E | 50.4 | Low | 63.3 | Low | 133 Ų | 133 | 61.1 Ų | 61.1 | 62% | 0.621 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -81.5 | -28.6 | 177.7 | -163.7 | 175.4 | -174.1 | 0 | 0 | 111 | N259 F260 | N259-E262 HydrophobicContact CB-CB 4.35Å; N259-E262 PolarHBondContact ND2-OE2 3.02Å; N259-E262 PolarHBondContact O-N 2.81Å; N259-E262 VanDerWaalsContact O-N 3.09Å; F260-E262 PolarHBondContact O-N 3.48Å |
| 263 | V | 51.7 | Low | 65.8 | Low | 23 Ų | 23 | 57.2 Ų | 57.2 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.2 | -48.6 | 177.3 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | G251 A255 N259 F260 K265 C266 E267 | G251-V263 WeakPolarHBondContact O-CG2 3.44Å; A255-V263 HydrophobicContact CB-CG2 4.33Å; N259-V263 PolarHBondContact O-N 3Å; F260-V263 PolarHBondContact O-N 3.23Å; V263-K265 PolarHBondContact O-N 2.95Å; V263-C266 PolarHBondContact O-N 3.42Å; V263-C266 VanDerWaalsContact O-N 3.13Å; V263-E267 VanDerWaalsContact O-OE2 3.04Å |
| 264 | M | 59 | Low | 68.5 | Low | 32 Ų | 32 | 49.3 Ų | 49.3 | 16% | 0.158 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.9 | -22.5 | 178.4 | -65.3 | -66.4 | -109.2 | 0 | 0 | 113.5 | Y217 I226 F260 | Y217-M264 HydrophobicContact CE1-CB 4.32Å; Y217-M264 WeakPolarHBondContact CE1-O 3.36Å; Y217-M264 HydrophobicContact CE1-SD 3.89Å; Y217-M264 PolarHBondContact OH-SD 3.04Å; I226-M264 HydrophobicContact CD1-CB 3.68Å; I226-M264 HydrophobicContact CD1-CE 3.21Å; I226-M264 HydrophobicContact CD1-CG 3.95Å; I226-M264 HydrophobicContact CD1-SD 3.59Å; I226-M264 VanDerWaalsContact CD1-SD 3.59Å; I226-M264 HydrophobicContact CG1-CE 3.93Å; F260-M264 HydrophobicContact CD1-CG 4.14Å; F260-M264 HydrophobicContact CE1-CE 3.79Å; F260-M264 HydrophobicContact CE1-CG 3.88Å; F260-M264 HydrophobicContact CE1-SD 4.03Å; F260-M264 HydrophobicContact CZ-CE 3.86Å; F260-M264 HydrophobicContact CZ-CG 4.27Å; F260-M264 HydrophobicContact CZ-SD 3.9Å; F260-M264 WeakPolarHBondContact O-CG 3.45Å; F260-M264 PolarHBondContact O-N 3.2Å |
| 265 | K | 73.8 | Confident | 71 | Confident | 66 Ų | 66 | 44.8 Ų | 44.8 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -78.9 | -29.2 | -179.7 | -72.8 | -180 | -175.6 | -159.7 | 0 | 113.6 | E94 M261 V263 H268 E269 | E94-K265 WeakPolarHBondContact OE1-CE 3.22Å; E94-K265 IonicContact OE1-NZ 3.53Å; E94-K265 PolarHBondContact OE1-NZ 3Å; M261-K265 WeakPolarHBondContact O-CG 3.24Å; V263-K265 PolarHBondContact O-N 2.95Å; K265-H268 PolarHBondContact O-N 3.09Å; K265-E269 HydrophobicContact CB-CG 4.45Å; K265-E269 VanDerWaalsContact O-CB 3.22Å; K265-E269 WeakPolarHBondContact O-CB 3.41Å; K265-E269 VanDerWaalsContact O-CG 3.29Å; K265-E269 WeakPolarHBondContact O-CG 3.18Å; K265-E269 PolarHBondContact O-N 2.78Å |
| 266 | C | 82.9 | Confident | 73.5 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 31% | 0.311 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.3 | -48.9 | -172.5 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | C248 V263 R270 | C248-C266 WeakPolarHBondContact CA-SG 3.34Å; C248-C266 HydrophobicContact CB-CB 3.68Å; C248-C266 WeakPolarHBondContact CB-SG 3.43Å; C248-C266 WeakPolarHBondContact SG-CB 3.43Å; C248-C266 CovalentContact SG-SG 2.05Å; C248-C266 PolarHBondContact SG-SG 3.33Å; V263-C266 PolarHBondContact O-N 3.42Å; V263-C266 VanDerWaalsContact O-N 3.13Å; C266-R270 PolarHBondContact O-N 3.49Å; C266-R270 VanDerWaalsContact O-N 3.16Å |
| 267 | E | 87.8 | Confident | 75.9 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.6 | -38.6 | 176.9 | -69.9 | 84.3 | 172.2 | 0 | 0 | 111.4 | T216 Y217 Q245 C248 V263 R270 | T216-E267 VanDerWaalsContact CB-O 3.23Å; T216-E267 WeakPolarHBondContact CB-O 3.22Å; T216-E267 PolarHBondContact OG1-O 3.36Å; Y217-E267 HydrophobicContact CD1-CB 3.84Å; Y217-E267 HydrophobicContact CD2-CB 3.79Å; Y217-E267 HydrophobicContact CD2-CG 4.25Å; Y217-E267 HydrophobicContact CE1-CB 4.33Å; Y217-E267 HydrophobicContact CE2-CB 4.34Å; Y217-E267 HydrophobicContact CE2-CG 4.48Å; Y217-E267 HydrophobicContact CG-CB 3.53Å; Y217-E267 HydrophobicContact CG-CG 4.46Å; Q245-E267 HydrophobicContact CB-CG 4.3Å; Q245-E267 HydrophobicContact CG-CB 4.26Å; Q245-E267 HydrophobicContact CG-CG 4.25Å; C248-E267 HydrophobicContact CB-CG 3.94Å; C248-E267 WeakPolarHBondContact CB-OE1 3.49Å; V263-E267 VanDerWaalsContact O-OE2 3.04Å; E267-R270 VanDerWaalsContact O-CB 3.29Å; E267-R270 WeakPolarHBondContact O-CB 3.43Å; E267-R270 PolarHBondContact O-N 3.32Å |
| 268 | H | 90.6 | Very high | 78.3 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -51.1 | 179.9 | -160.3 | 46.1 | 0 | 0 | 0 | 111.9 | Y163 S164 D188 T216 Y217 K265 R270 A271 | Y163-H268 AromaticContact CE2-CD2 3.86Å; Y163-H268 AromaticContact CZ-CD2 3.52Å; Y163-H268 AromaticContact CZ-NE2 3.97Å; Y163-H268 PolarHBondContact OH-CD2 3.44Å; S164-H268 WeakPolarHBondContact CB-NE2 3.45Å; S164-H268 PolarHBondContact OG-NE2 3.16Å; D188-H268 PolarHBondContact O-CE1 2.88Å; D188-H268 WeakPolarHBondContact OD2-CA 3.44Å; D188-H268 IonicContact OD2-CE1 2.84Å; D188-H268 IonicContact OD2-CG 2.87Å; D188-H268 IonicContact OD2-ND1 3.26Å; D188-H268 PolarHBondContact OD2-ND1 2.87Å; T216-H268 PolarHBondContact OG1-O 3.17Å; Y217-H268 HydrophobicContact CD1-CB 4.28Å; K265-H268 PolarHBondContact O-N 3.09Å; H268-R270 PolarHBondContact O-N 2.83Å; H268-A271 PolarHBondContact O-N 2.91Å |
| 269 | E | 92.1 | Very high | 80.7 | Confident | 29 Ų | 29 | 34.4 Ų | 34.4 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.4 | -15.7 | 178.1 | -68.9 | -177.1 | -154.7 | 0 | 0 | 112.9 | W96 Y163 K265 A271 V272 H273 | W96-E269 VanDerWaalsContact CD1-CD 3.46Å; Y163-E269 VanDerWaalsContact OH-CG 3.28Å; Y163-E269 WeakPolarHBondContact OH-CG 3.26Å; K265-E269 HydrophobicContact CB-CG 4.45Å; K265-E269 VanDerWaalsContact O-CB 3.22Å; K265-E269 WeakPolarHBondContact O-CB 3.41Å; K265-E269 VanDerWaalsContact O-CG 3.29Å; K265-E269 WeakPolarHBondContact O-CG 3.18Å; K265-E269 PolarHBondContact O-N 2.78Å; E269-A271 PolarHBondContact O-N 3.43Å; E269-V272 WeakPolarHBondContact O-CB 3.36Å; E269-V272 PolarHBondContact O-N 3.26Å; E269-H273 PolarHBondContact O-N 2.95Å; E269-H273 VanDerWaalsContact O-N 3.14Å |
| 270 | R | 94.4 | Very high | 82.6 | Confident | 15 Ų | 15 | 34 Ų | 34 | 6% | 0.057 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.7 | -34.8 | 176.8 | -178.8 | 57.3 | 60.9 | 130.6 | 6.2 | 112 | T216 Q245 P246 C266 E267 H268 V272 H273 L274 R333 A334 | T216-R270 HydrophobicContact CG2-CB 4.23Å; T216-R270 HydrophobicContact CG2-CG 4.14Å; Q245-R270 HydrophobicContact CB-CB 4.26Å; Q245-R270 HydrophobicContact CB-CG 3.98Å; Q245-R270 HydrophobicContact CG-CB 3.88Å; Q245-R270 HydrophobicContact CG-CG 3.75Å; P246-R270 PolarHBondContact O-NH2 2.86Å; C266-R270 PolarHBondContact O-N 3.49Å; C266-R270 VanDerWaalsContact O-N 3.16Å; E267-R270 VanDerWaalsContact O-CB 3.29Å; E267-R270 WeakPolarHBondContact O-CB 3.43Å; E267-R270 PolarHBondContact O-N 3.32Å; H268-R270 PolarHBondContact O-N 2.83Å; R270-V272 VanDerWaalsContact C-N 3.3Å; R270-V272 PolarHBondContact O-N 3.48Å; R270-H273 PolarHBondContact O-N 2.99Å; R270-L274 HydrophobicContact CG-CD1 3.9Å; R270-L274 HydrophobicContact CG-CG 4.07Å; R270-L274 WeakPolarHBondContact O-CB 3.35Å; R270-L274 WeakPolarHBondContact O-CG 3.47Å; R270-L274 PolarHBondContact O-N 3.09Å; R270-R333 PolarHBondContact NH1-O 3.37Å; R270-A334 PolarHBondContact NH1-O 2.69Å; R270-A334 VanDerWaalsContact NH1-O 3.09Å; R270-A334 PolarHBondContact NH2-O 2.79Å; R270-A334 VanDerWaalsContact NH2-O 3.09Å |
| 271 | A | 96.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L187 D188 L214 T216 H268 E269 L274 F275 | L187-A271 HydrophobicContact CB-CB 3.99Å; D188-A271 HydrophobicContact CB-CB 3.78Å; L214-A271 HydrophobicContact CB-CB 3.98Å; L214-A271 WeakPolarHBondContact CD1-O 3.46Å; T216-A271 HydrophobicContact CG2-CB 4.05Å; T216-A271 WeakPolarHBondContact OG1-CB 3.38Å; T216-A271 PolarHBondContact OG1-N 3.02Å; H268-A271 PolarHBondContact O-N 2.91Å; E269-A271 PolarHBondContact O-N 3.43Å; A271-L274 PolarHBondContact O-N 3.33Å; A271-F275 PolarHBondContact O-N 2.05Å |
| 272 | V | 96.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 175.3 | -170.6 | 0 | 0 | 0 | 0 | 110.6 | W96 L100 Y163 L187 E269 R270 L274 F275 V276 | W96-V272 HydrophobicContact CB-CG1 4.11Å; W96-V272 HydrophobicContact CD2-CG1 4.09Å; W96-V272 HydrophobicContact CD2-CG2 4.07Å; W96-V272 HydrophobicContact CE3-CB 4.35Å; W96-V272 HydrophobicContact CE3-CG1 3.55Å; W96-V272 HydrophobicContact CE3-CG2 3.98Å; W96-V272 HydrophobicContact CG-CG1 4.33Å; W96-V272 HydrophobicContact CG-CG2 4.43Å; W96-V272 HydrophobicContact CZ3-CG1 4.38Å; L100-V272 HydrophobicContact CB-CG1 4.03Å; L100-V272 HydrophobicContact CD2-CG1 4.12Å; L100-V272 HydrophobicContact CG-CG1 4.47Å; Y163-V272 HydrophobicContact CD2-CG2 3.56Å; Y163-V272 HydrophobicContact CE2-CG2 3.89Å; Y163-V272 HydrophobicContact CG-CG2 4.04Å; L187-V272 HydrophobicContact CD1-CG2 4.21Å; E269-V272 WeakPolarHBondContact O-CB 3.36Å; E269-V272 PolarHBondContact O-N 3.26Å; R270-V272 VanDerWaalsContact C-N 3.3Å; R270-V272 PolarHBondContact O-N 3.48Å; V272-L274 PolarHBondContact O-N 3.38Å; V272-F275 PolarHBondContact O-N 3.13Å; V272-F275 VanDerWaalsContact O-N 3.17Å; V272-V276 HydrophobicContact CG1-CG2 4.47Å; V272-V276 WeakPolarHBondContact O-CG2 3.23Å; V272-V276 PolarHBondContact O-N 2.87Å |
| 273 | H | 95.6 | Very high | 86.7 | Confident | 46 Ų | 46 | 36.5 Ų | 36.5 | 21% | 0.213 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -38.1 | -179.4 | -67.9 | -34.9 | 0 | 0 | 0 | 113.1 | E269 R270 F275 V276 D277 F338 | E269-H273 PolarHBondContact O-N 2.95Å; E269-H273 VanDerWaalsContact O-N 3.14Å; R270-H273 PolarHBondContact O-N 2.99Å; H273-F275 VanDerWaalsContact C-N 3.33Å; H273-V276 PolarHBondContact O-N 2.91Å; H273-D277 WeakPolarHBondContact O-CB 3.23Å; H273-D277 PolarHBondContact O-N 3.35Å; H273-F338 HydrophobicContact CB-CE2 3.81Å; H273-F338 HydrophobicContact CB-CZ 3.99Å; H273-F338 WeakPolarHBondContact O-CE2 3.39Å |
| 274 | L | 96.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.9 | -38.2 | 173.4 | -71.9 | 171.3 | 0 | 0 | 0 | 111.7 | L214 T216 P239 R270 A271 V272 D277 S278 I313 T332 F338 | L214-L274 HydrophobicContact CD1-CB 4.17Å; T216-L274 HydrophobicContact CG2-CD1 3.92Å; P239-L274 HydrophobicContact CB-CD1 3.77Å; P239-L274 HydrophobicContact CG-CD1 3.49Å; P239-L274 VanDerWaalsContact CG-CD1 3.49Å; R270-L274 HydrophobicContact CG-CD1 3.9Å; R270-L274 HydrophobicContact CG-CG 4.07Å; R270-L274 WeakPolarHBondContact O-CB 3.35Å; R270-L274 WeakPolarHBondContact O-CG 3.47Å; R270-L274 PolarHBondContact O-N 3.09Å; A271-L274 PolarHBondContact O-N 3.33Å; V272-L274 PolarHBondContact O-N 3.38Å; L274-D277 PolarHBondContact O-N 2.96Å; L274-S278 PolarHBondContact O-N 3.3Å; L274-I313 HydrophobicContact CD2-CD1 4.38Å; L274-T332 HydrophobicContact CD2-CG2 3.95Å; L274-F338 HydrophobicContact CD2-CB 3.67Å; L274-F338 HydrophobicContact CD2-CD2 3.76Å; L274-F338 HydrophobicContact CD2-CG 3.79Å; L274-F338 HydrophobicContact CG-CD2 4.5Å |
| 275 | F | 97.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 175.1 | -166.6 | -90.4 | 0 | 0 | 0 | 111.8 | L100 I161 T185 L187 L214 A271 V272 H273 D277 S278 L279 Y315 | L100-F275 HydrophobicContact CD1-CD1 3.68Å; L100-F275 HydrophobicContact CD1-CE1 4.18Å; I161-F275 HydrophobicContact CD1-CE1 3.69Å; I161-F275 HydrophobicContact CD1-CZ 3.85Å; I161-F275 HydrophobicContact CG1-CE1 4.47Å; I161-F275 HydrophobicContact CG1-CZ 4.27Å; T185-F275 HydrophobicContact CG2-CD2 3.9Å; T185-F275 HydrophobicContact CG2-CE2 3.66Å; L187-F275 HydrophobicContact CD1-CB 4.39Å; L187-F275 HydrophobicContact CD2-CB 3.76Å; L187-F275 HydrophobicContact CD2-CD2 3.91Å; L187-F275 HydrophobicContact CD2-CG 4Å; L214-F275 HydrophobicContact CD1-CB 4.44Å; A271-F275 PolarHBondContact O-N 2.05Å; V272-F275 PolarHBondContact O-N 3.13Å; V272-F275 VanDerWaalsContact O-N 3.17Å; H273-F275 VanDerWaalsContact C-N 3.33Å; F275-D277 VanDerWaalsContact C-N 3.32Å; F275-D277 PolarHBondContact O-N 3.03Å; F275-S278 WeakPolarHBondContact O-CB 3.32Å; F275-S278 PolarHBondContact O-N 3.08Å; F275-S278 VanDerWaalsContact O-N 3.12Å; F275-S278 PolarHBondContact O-OG 3.29Å; F275-L279 HydrophobicContact CD1-CD1 3.88Å; F275-L279 HydrophobicContact CD1-CG 4.35Å; F275-L279 HydrophobicContact CE1-CD1 3.84Å; F275-L279 HydrophobicContact CE1-CD2 4.44Å; F275-L279 HydrophobicContact CE1-CG 4.22Å; F275-L279 PolarHBondContact O-N 3.24Å; F275-Y315 HydrophobicContact CE1-CD2 4.35Å; F275-Y315 AromaticContact CZ-CD2 3.87Å; F275-Y315 HydrophobicContact CZ-CD2 3.87Å |
| 276 | V | 96.3 | Very high | 89.4 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 15% | 0.145 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.7 | -45.7 | 173.3 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | L100 A103 V272 H273 S278 L279 M280 | L100-V276 HydrophobicContact CB-CG2 4.13Å; L100-V276 HydrophobicContact CD1-CG2 3.92Å; A103-V276 HydrophobicContact CB-CB 4.48Å; A103-V276 HydrophobicContact CB-CG1 3.9Å; A103-V276 HydrophobicContact CB-CG2 4.31Å; V272-V276 HydrophobicContact CG1-CG2 4.47Å; V272-V276 WeakPolarHBondContact O-CG2 3.23Å; V272-V276 PolarHBondContact O-N 2.87Å; H273-V276 PolarHBondContact O-N 2.91Å; V276-S278 VanDerWaalsContact C-N 3.27Å; V276-S278 PolarHBondContact O-N 3.47Å; V276-L279 WeakPolarHBondContact O-CB 3.48Å; V276-L279 PolarHBondContact O-N 3.01Å; V276-L279 VanDerWaalsContact O-N 3.1Å; V276-M280 HydrophobicContact CG1-CG 4.44Å; V276-M280 WeakPolarHBondContact O-CG 3.13Å; V276-M280 PolarHBondContact O-N 2.89Å; V276-M280 VanDerWaalsContact O-N 3.16Å |
| 277 | D | 95 | Very high | 89.8 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.032 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -41.2 | 176.7 | -163.4 | 72.2 | 0 | 0 | 0 | 111.5 | H273 L274 F275 L279 M280 N281 T336 P337 F338 | H273-D277 WeakPolarHBondContact O-CB 3.23Å; H273-D277 PolarHBondContact O-N 3.35Å; L274-D277 PolarHBondContact O-N 2.96Å; F275-D277 VanDerWaalsContact C-N 3.32Å; F275-D277 PolarHBondContact O-N 3.03Å; D277-L279 VanDerWaalsContact C-N 3.28Å; D277-L279 PolarHBondContact O-N 3.37Å; D277-M280 PolarHBondContact O-N 2.84Å; D277-N281 WeakPolarHBondContact O-CB 3.33Å; D277-N281 PolarHBondContact O-N 2.84Å; D277-N281 PolarHBondContact OD1-ND2 3.33Å; D277-T336 PolarHBondContact OD1-OG1 3.47Å; D277-P337 WeakPolarHBondContact OD1-CA 3.35Å; D277-F338 HydrophobicContact CB-CD2 3.58Å; D277-F338 HydrophobicContact CB-CE2 4.1Å; D277-F338 PolarHBondContact OD1-N 2.93Å; D277-F338 PolarHBondContact OD2-N 2.81Å; D277-F338 VanDerWaalsContact OD2-N 3.14Å |
| 278 | S | 95.1 | Very high | 90.2 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.9 | -25 | 178.1 | 81.3 | 0 | 0 | 0 | 0 | 114.4 | L274 F275 V276 I313 G314 Y315 N316 | L274-S278 PolarHBondContact O-N 3.3Å; F275-S278 WeakPolarHBondContact O-CB 3.32Å; F275-S278 PolarHBondContact O-N 3.08Å; F275-S278 VanDerWaalsContact O-N 3.12Å; F275-S278 PolarHBondContact O-OG 3.29Å; V276-S278 VanDerWaalsContact C-N 3.27Å; V276-S278 PolarHBondContact O-N 3.47Å; S278-I313 WeakPolarHBondContact CB-O 3.37Å; S278-G314 WeakPolarHBondContact OG-CA 3.48Å; S278-Y315 PolarHBondContact OG-N 3.18Å; S278-N316 PolarHBondContact O-ND2 3.09Å |
| 279 | L | 94.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75.9 | -45 | 175.5 | -70.3 | 165.2 | 0 | 0 | 0 | 110.7 | L100 A103 V104 R107 F275 V276 D277 Y315 | L100-L279 HydrophobicContact CD1-CD1 4.37Å; A103-L279 HydrophobicContact CB-CB 4.28Å; A103-L279 HydrophobicContact CB-CD1 3.81Å; V104-L279 HydrophobicContact CG2-CD1 3.65Å; R107-L279 HydrophobicContact CB-CB 4.35Å; R107-L279 HydrophobicContact CB-CD2 3.84Å; R107-L279 HydrophobicContact CG-CD2 3.69Å; R107-L279 PolarHBondContact NH1-O 3.45Å; R107-L279 VanDerWaalsContact NH1-O 3.09Å; F275-L279 HydrophobicContact CD1-CD1 3.88Å; F275-L279 HydrophobicContact CD1-CG 4.35Å; F275-L279 HydrophobicContact CE1-CD1 3.84Å; F275-L279 HydrophobicContact CE1-CD2 4.44Å; F275-L279 HydrophobicContact CE1-CG 4.22Å; F275-L279 PolarHBondContact O-N 3.24Å; V276-L279 WeakPolarHBondContact O-CB 3.48Å; V276-L279 PolarHBondContact O-N 3.01Å; V276-L279 VanDerWaalsContact O-N 3.1Å; D277-L279 VanDerWaalsContact C-N 3.28Å; D277-L279 PolarHBondContact O-N 3.37Å; L279-Y315 VanDerWaalsContact CD2-CB 3.49Å; L279-Y315 HydrophobicContact CD2-CD1 3.87Å; L279-Y315 HydrophobicContact CD2-CD2 3.49Å; L279-Y315 VanDerWaalsContact CD2-CD2 3.49Å; L279-Y315 HydrophobicContact CD2-CE2 4.19Å; L279-Y315 HydrophobicContact CD2-CG 3.31Å; L279-Y315 HydrophobicContact CG-CG 4.37Å |
| 280 | M | 91.3 | Very high | 90.7 | Very high | 81 Ų | 81 | 39.6 Ų | 39.6 | 40% | 0.399 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -90.1 | -37.3 | -168.5 | -59.2 | -52.1 | -68.4 | 0 | 0 | 113.6 | A103 Q106 V276 D277 K282 | A103-M280 HydrophobicContact CB-CG 3.99Å; A103-M280 HydrophobicContact CB-SD 3.84Å; Q106-M280 HydrophobicContact CB-SD 4.46Å; V276-M280 HydrophobicContact CG1-CG 4.44Å; V276-M280 WeakPolarHBondContact O-CG 3.13Å; V276-M280 PolarHBondContact O-N 2.89Å; V276-M280 VanDerWaalsContact O-N 3.16Å; D277-M280 PolarHBondContact O-N 2.84Å; M280-K282 PolarHBondContact O-N 2.92Å |
| 281 | N | 85.8 | Confident | 90.7 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | trans | -99.5 | 71.9 | -170.7 | -67.8 | -55 | 0 | 0 | 0 | 112.6 | D277 E283 H284 | D277-N281 WeakPolarHBondContact O-CB 3.33Å; D277-N281 PolarHBondContact O-N 2.84Å; D277-N281 PolarHBondContact OD1-ND2 3.33Å; N281-E283 VanDerWaalsContact C-N 3.28Å; N281-E283 PolarHBondContact O-N 3.4Å; N281-H284 PolarHBondContact O-N 2.86Å | ||
| 282 | K | 75.8 | Confident | 90.4 | Very high | 126 Ų | 126 | 44.5 Ų | 44.5 | 55% | 0.548 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -62.5 | -30.7 | -179.8 | -69.5 | 177.3 | 179.3 | 171.4 | 0 | 113.9 | R107 M280 M285 | R107-K282 VanDerWaalsContact CZ-CE 3.42Å; M280-K282 PolarHBondContact O-N 2.92Å; K282-M285 VanDerWaalsContact O-CE 3.29Å; K282-M285 WeakPolarHBondContact O-CE 3.45Å |
| 283 | E | 71.9 | Confident | 90.1 | Very high | 182 Ų | 182 | 45.2 Ų | 45.2 | 85% | 0.85 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -84.3 | -21.4 | -176 | -61.9 | -175.2 | 170.9 | 0 | 0 | 112.9 | N281 | N281-E283 VanDerWaalsContact C-N 3.28Å; N281-E283 PolarHBondContact O-N 3.4Å |
| 284 | H | 73.1 | Confident | 89.9 | Confident | 83 Ų | 83 | 44.9 Ų | 44.9 | 38% | 0.384 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -116.7 | 55 | -178.3 | -72.4 | 82.2 | 0 | 0 | 0 | 111.1 | N281 S286 P337 | N281-H284 PolarHBondContact O-N 2.86Å; H284-S286 PolarHBondContact O-N 3.08Å; H284-P337 HydrophobicContact CB-CB 4.42Å |
| 285 | M | 78.9 | Confident | 89.6 | Confident | 83 Ų | 83 | 49.1 Ų | 49.1 | 41% | 0.409 | 25% | 0.251 | S | S | . | . | trans | -65.3 | 128.7 | -179.9 | -75.7 | -174.6 | -95.6 | 0 | 0 | 111.9 | K282 | K282-M285 VanDerWaalsContact O-CE 3.29Å; K282-M285 WeakPolarHBondContact O-CE 3.45Å | ||
| 286 | S | 89.4 | Confident | 89.4 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | trans | -86.2 | 133.6 | 173.9 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | H284 I313 G339 | H284-S286 PolarHBondContact O-N 3.08Å; S286-I313 VanDerWaalsContact CB-CD1 3.43Å; S286-I313 PolarHBondContact O-N 3.08Å; S286-G339 WeakPolarHBondContact OG-CA 3.46Å | ||
| 287 | Y | 91.8 | Very high | 89.4 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 28% | 0.282 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.4 | 175.8 | -63 | -82.4 | 0 | 0 | 0 | 111.1 | N311 N312 L330 E454 | Y287-N311 CarbonylContact C-O 3.58Å; Y287-N311 WeakPolarHBondContact CA-O 3.19Å; Y287-N312 VanDerWaalsContact CE1-OD1 3.27Å; Y287-N312 WeakPolarHBondContact CE1-OD1 3.42Å; Y287-L330 WeakPolarHBondContact O-CB 3.46Å; Y287-E454 HydrophobicContact CD2-CG 4.17Å |
| 288 | A | 96.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 145.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I237 C310 N311 I313 M328 L330 | I237-A288 HydrophobicContact CG1-CB 4.14Å; I237-A288 HydrophobicContact CG2-CB 3.75Å; A288-C310 CarbonylContact O-C 3.58Å; A288-C310 WeakPolarHBondContact O-CA 3.24Å; A288-C310 WeakPolarHBondContact O-CB 3.28Å; A288-N311 PolarHBondContact N-O 3.1Å; A288-N311 PolarHBondContact O-N 2.86Å; A288-I313 HydrophobicContact CB-CG2 3.76Å; A288-M328 HydrophobicContact CB-CB 3.72Å; A288-M328 HydrophobicContact CB-SD 4.28Å; A288-L330 HydrophobicContact CB-CD2 4.12Å |
| 289 | Y | 96.3 | Very high | 89 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.5 | -175.1 | -60.9 | -83.1 | 0 | 0 | 0 | 111 | C291 F297 C302 L303 C310 M328 Y329 H342 G453 E454 | Y289-C291 PolarHBondContact O-N 3.26Å; Y289-F297 HydrophobicContact CD2-CE2 4Å; Y289-C302 WeakPolarHBondContact CB-O 3.48Å; Y289-L303 HydrophobicContact CD1-CB 4.49Å; Y289-L303 HydrophobicContact CD1-CD2 4.39Å; Y289-L303 HydrophobicContact CD2-CD2 3.71Å; Y289-L303 HydrophobicContact CE1-CB 4.38Å; Y289-L303 HydrophobicContact CE1-CD2 4.41Å; Y289-L303 HydrophobicContact CE2-CD2 3.74Å; Y289-L303 HydrophobicContact CG-CD2 4.04Å; Y289-C310 HydrophobicContact CD1-CB 3.73Å; Y289-C310 HydrophobicContact CE1-CB 4.01Å; Y289-M328 CarbonylContact O-C 3.59Å; Y289-M328 VanDerWaalsContact O-CA 3.31Å; Y289-M328 WeakPolarHBondContact O-CA 3.13Å; Y289-Y329 PolarHBondContact N-O 3.2Å; Y289-Y329 PolarHBondContact O-N 3.26Å; Y289-H342 HydrophobicContact CE2-CB 4.28Å; Y289-H342 AromaticContact CE2-CG 3.97Å; Y289-H342 AromaticContact CE2-ND1 3.85Å; Y289-G453 WeakPolarHBondContact OH-CA 3.41Å; Y289-E454 PolarHBondContact OH-N 2.89Å; Y289-E454 PolarHBondContact OH-OE1 2.79Å |
| 290 | Q | 95.3 | Very high | 89 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 125.9 | 176.9 | -168.5 | -178.6 | 35 | 0 | 0 | 110.5 | R309 S326 K327 M328 | Q290-R309 HydrophobicContact CB-CB 4.34Å; Q290-R309 WeakPolarHBondContact CB-O 3.43Å; Q290-R309 PolarHBondContact N-O 3.03Å; Q290-S326 PolarHBondContact NE2-OG 2.81Å; Q290-K327 WeakPolarHBondContact CA-O 3.44Å; Q290-M328 HydrophobicContact CB-CE 3.94Å; Q290-M328 HydrophobicContact CB-CG 4.34Å |
| 291 | C | 94.7 | Very high | 89.1 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | trans | -146.9 | 156.9 | -179.8 | -153.4 | 0 | 0 | 0 | 0 | 110.3 | Y289 G293 F297 C302 K327 Y329 | Y289-C291 PolarHBondContact O-N 3.26Å; C291-G293 VanDerWaalsContact C-N 3.26Å; C291-G293 PolarHBondContact O-N 2.79Å; C291-G293 PolarHBondContact SG-O 2.81Å; C291-F297 HydrophobicContact CB-CB 4.33Å; C291-F297 PolarHBondContact SG-N 2.87Å; C291-F297 VanDerWaalsContact SG-N 3.43Å; C291-C302 VanDerWaalsContact CA-SG 3.54Å; C291-C302 HydrophobicContact CB-CB 3.48Å; C291-C302 VanDerWaalsContact CB-CB 3.48Å; C291-C302 WeakPolarHBondContact CB-SG 3.12Å; C291-C302 WeakPolarHBondContact SG-CB 3.05Å; C291-C302 CovalentContact SG-SG 2.03Å; C291-C302 PolarHBondContact SG-SG 2.74Å; C291-K327 PolarHBondContact N-O 3.26Å; C291-K327 VanDerWaalsContact N-O 3.08Å; C291-Y329 HydrophobicContact CB-CD2 3.5Å; C291-Y329 VanDerWaalsContact CB-CD2 3.5Å; C291-Y329 HydrophobicContact CB-CE2 3.82Å | ||
| 292 | T | 91.6 | Very high | 89.5 | Confident | 107 Ų | 107 | 56 Ų | 56 | 66% | 0.656 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -79.2 | -11.7 | 178.7 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | R296 | T292-R296 WeakPolarHBondContact OG1-CD 3.13Å; T292-R296 PolarHBondContact OG1-NH1 3.45Å |
| 293 | G | 91 | Very high | 90.5 | Very high | 14 Ų | 14 | 50 Ų | 50 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | trans | 177.6 | 163.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C291 D295 R296 F297 | C291-G293 VanDerWaalsContact C-N 3.26Å; C291-G293 PolarHBondContact O-N 2.79Å; C291-G293 PolarHBondContact SG-O 2.81Å; G293-D295 VanDerWaalsContact C-N 3.33Å; G293-D295 PolarHBondContact O-N 3.14Å; G293-R296 PolarHBondContact O-N 3.38Å; G293-F297 PolarHBondContact O-N 2.94Å | ||
| 294 | P | 91.1 | Very high | 91.5 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 25% | 0.253 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.4 | -35.1 | -175.3 | 25.1 | -33.7 | 0 | 0 | 0 | 112.6 | R296 F297 K298 Y329 | P294-R296 PolarHBondContact O-N 2.7Å; P294-F297 CarbonylContact O-C 3.53Å; P294-F297 WeakPolarHBondContact O-CA 3.28Å; P294-F297 WeakPolarHBondContact O-CB 3.29Å; P294-F297 PolarHBondContact O-N 2.94Å; P294-F297 VanDerWaalsContact O-N 3.1Å; P294-K298 WeakPolarHBondContact O-CG 3.42Å; P294-K298 PolarHBondContact O-N 2.86Å; P294-Y329 HydrophobicContact CB-CD1 4.26Å; P294-Y329 HydrophobicContact CB-CE1 3.89Å; P294-Y329 HydrophobicContact CG-CE1 4.42Å |
| 295 | D | 90.5 | Very high | 92.5 | Very high | 89 Ų | 89 | 40.3 Ų | 40.3 | 48% | 0.476 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.3 | -38.1 | -176.7 | -57.8 | -35.2 | 0 | 0 | 0 | 112.9 | G293 F297 K298 K299 | G293-D295 VanDerWaalsContact C-N 3.33Å; G293-D295 PolarHBondContact O-N 3.14Å; D295-F297 VanDerWaalsContact C-N 3.3Å; D295-K298 PolarHBondContact O-N 3.32Å; D295-K299 WeakPolarHBondContact O-CG 3.26Å; D295-K299 PolarHBondContact O-N 2.8Å; D295-K299 VanDerWaalsContact O-N 3.11Å |
| 296 | R | 93.3 | Very high | 93 | Very high | 116 Ų | 116 | 45.5 Ų | 45.5 | 44% | 0.438 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.7 | -32.4 | 174.5 | -67.4 | -174.3 | 76.6 | -175.5 | 7.3 | 111.8 | T292 G293 P294 K299 I301 | T292-R296 WeakPolarHBondContact OG1-CD 3.13Å; T292-R296 PolarHBondContact OG1-NH1 3.45Å; G293-R296 PolarHBondContact O-N 3.38Å; P294-R296 PolarHBondContact O-N 2.7Å; R296-K299 PolarHBondContact O-N 2.84Å; R296-I301 HydrophobicContact CB-CD1 4.42Å; R296-I301 WeakPolarHBondContact O-CB 3.32Å; R296-I301 PolarHBondContact O-N 2.9Å; R296-I301 VanDerWaalsContact O-N 3.13Å |
| 297 | F | 94.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.2 | -46.1 | 173.8 | 176.6 | -104.1 | 0 | 0 | 0 | 111.1 | Y289 C291 G293 P294 D295 K299 G300 C302 L303 Y329 L330 K331 H342 L393 | Y289-F297 HydrophobicContact CD2-CE2 4Å; C291-F297 HydrophobicContact CB-CB 4.33Å; C291-F297 PolarHBondContact SG-N 2.87Å; C291-F297 VanDerWaalsContact SG-N 3.43Å; G293-F297 PolarHBondContact O-N 2.94Å; P294-F297 CarbonylContact O-C 3.53Å; P294-F297 WeakPolarHBondContact O-CA 3.28Å; P294-F297 WeakPolarHBondContact O-CB 3.29Å; P294-F297 PolarHBondContact O-N 2.94Å; P294-F297 VanDerWaalsContact O-N 3.1Å; D295-F297 VanDerWaalsContact C-N 3.3Å; F297-K299 PolarHBondContact O-N 2.77Å; F297-G300 WeakPolarHBondContact O-CA 3.44Å; F297-G300 PolarHBondContact O-N 2.83Å; F297-C302 HydrophobicContact CD2-CB 4.45Å; F297-L303 HydrophobicContact CE2-CD2 3.98Å; F297-Y329 HydrophobicContact CB-CD2 4.4Å; F297-Y329 HydrophobicContact CB-CG 4.14Å; F297-Y329 HydrophobicContact CD1-CG 4.43Å; F297-Y329 WeakPolarHBondContact CE2-O 3.39Å; F297-Y329 VanDerWaalsContact CG-CB 3.43Å; F297-Y329 HydrophobicContact CG-CG 4.18Å; F297-L330 VanDerWaalsContact CZ-CA 3.41Å; F297-K331 HydrophobicContact CE1-CG 4.2Å; F297-H342 AromaticContact CZ-CD2 3.91Å; F297-L393 HydrophobicContact CD1-CD2 4.1Å; F297-L393 HydrophobicContact CE1-CD2 3.57Å; F297-L393 HydrophobicContact CE2-CD2 4.3Å; F297-L393 HydrophobicContact CZ-CD2 3.65Å |
| 298 | K | 91.5 | Very high | 92.6 | Very high | 64 Ų | 64 | 54.7 Ų | 54.7 | 28% | 0.278 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57 | -29.3 | 174 | -70.2 | 172.6 | -177.1 | 176.1 | 0 | 112.5 | P294 D295 G300 L393 | P294-K298 WeakPolarHBondContact O-CG 3.42Å; P294-K298 PolarHBondContact O-N 2.86Å; D295-K298 PolarHBondContact O-N 3.32Å; K298-G300 VanDerWaalsContact C-N 3.26Å; K298-G300 PolarHBondContact O-N 3.15Å; K298-L393 WeakPolarHBondContact O-CB 3.48Å; K298-L393 PolarHBondContact O-N 3.22Å |
| 299 | K | 91.7 | Very high | 92.4 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 24% | 0.239 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -0.6 | 171.9 | -73 | 171.7 | -177.4 | 176.6 | 0 | 114.6 | D295 R296 F297 I301 D382 T391 F392 | D295-K299 WeakPolarHBondContact O-CG 3.26Å; D295-K299 PolarHBondContact O-N 2.8Å; D295-K299 VanDerWaalsContact O-N 3.11Å; R296-K299 PolarHBondContact O-N 2.84Å; F297-K299 PolarHBondContact O-N 2.77Å; K299-I301 VanDerWaalsContact C-N 3.25Å; K299-I301 HydrophobicContact CB-CD1 3.77Å; K299-I301 HydrophobicContact CB-CG1 3.85Å; K299-I301 HydrophobicContact CD-CD1 4.25Å; K299-I301 PolarHBondContact O-N 3.01Å; K299-D382 WeakPolarHBondContact CE-OD2 3.33Å; K299-D382 IonicContact NZ-OD1 3.54Å; K299-D382 IonicContact NZ-OD2 2.76Å; K299-D382 PolarHBondContact NZ-OD2 2.91Å; K299-T391 HydrophobicContact CB-CG2 4.11Å; K299-T391 CarbonylContact O-C 3.59Å; K299-T391 PolarHBondContact O-OG1 3.45Å; K299-F392 PolarHBondContact O-N 2.83Å |
| 300 | G | 92.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 11.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F297 K298 C302 Q344 | F297-G300 WeakPolarHBondContact O-CA 3.44Å; F297-G300 PolarHBondContact O-N 2.83Å; K298-G300 VanDerWaalsContact C-N 3.26Å; K298-G300 PolarHBondContact O-N 3.15Å; G300-C302 VanDerWaalsContact C-N 3.28Å; G300-C302 PolarHBondContact O-N 2.99Å; G300-Q344 VanDerWaalsContact O-CB 3.28Å; G300-Q344 WeakPolarHBondContact O-CB 3.41Å; G300-Q344 VanDerWaalsContact O-CG 3.25Å; G300-Q344 WeakPolarHBondContact O-CG 3.1Å; G300-Q344 PolarHBondContact O-NE2 3.37Å |
| 301 | I | 93.9 | Very high | 92.3 | Very high | 67 Ų | 67 | 60.8 Ų | 60.8 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -28.7 | -170.3 | -61.7 | 171.4 | 0 | 0 | 0 | 112 | R296 K299 T391 | R296-I301 HydrophobicContact CB-CD1 4.42Å; R296-I301 WeakPolarHBondContact O-CB 3.32Å; R296-I301 PolarHBondContact O-N 2.9Å; R296-I301 VanDerWaalsContact O-N 3.13Å; K299-I301 VanDerWaalsContact C-N 3.25Å; K299-I301 HydrophobicContact CB-CD1 3.77Å; K299-I301 HydrophobicContact CB-CG1 3.85Å; K299-I301 HydrophobicContact CD-CD1 4.25Å; K299-I301 PolarHBondContact O-N 3.01Å; I301-T391 HydrophobicContact CD1-CG2 4.4Å; I301-T391 HydrophobicContact CG1-CG2 4.18Å |
| 302 | C | 95.3 | Very high | 92.2 | Very high | 16 Ų | 16 | 61.3 Ų | 61.3 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 12.4 | -164.3 | -68.1 | 0 | 0 | 0 | 0 | 115.8 | Y289 C291 F297 G300 S304 | Y289-C302 WeakPolarHBondContact CB-O 3.48Å; C291-C302 VanDerWaalsContact CA-SG 3.54Å; C291-C302 HydrophobicContact CB-CB 3.48Å; C291-C302 VanDerWaalsContact CB-CB 3.48Å; C291-C302 WeakPolarHBondContact CB-SG 3.12Å; C291-C302 WeakPolarHBondContact SG-CB 3.05Å; C291-C302 CovalentContact SG-SG 2.03Å; C291-C302 PolarHBondContact SG-SG 2.74Å; F297-C302 HydrophobicContact CD2-CB 4.45Å; G300-C302 VanDerWaalsContact C-N 3.28Å; G300-C302 PolarHBondContact O-N 2.99Å; C302-S304 PolarHBondContact O-N 3.11Å |
| 303 | L | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -75 | 34.3 | -173.5 | -57.6 | -176.5 | 0 | 0 | 0 | 116.2 | Y289 F297 H342 Q344 L393 K451 Q456 | Y289-L303 HydrophobicContact CD1-CB 4.49Å; Y289-L303 HydrophobicContact CD1-CD2 4.39Å; Y289-L303 HydrophobicContact CD2-CD2 3.71Å; Y289-L303 HydrophobicContact CE1-CB 4.38Å; Y289-L303 HydrophobicContact CE1-CD2 4.41Å; Y289-L303 HydrophobicContact CE2-CD2 3.74Å; Y289-L303 HydrophobicContact CG-CD2 4.04Å; F297-L303 HydrophobicContact CE2-CD2 3.98Å; L303-H342 HydrophobicContact CD1-CB 3.98Å; L303-H342 HydrophobicContact CD2-CB 3.75Å; L303-Q344 HydrophobicContact CD1-CB 3.8Å; L303-Q344 VanDerWaalsContact CD1-N 3.25Å; L303-L393 HydrophobicContact CD1-CD1 3.91Å; L303-L393 HydrophobicContact CD2-CD1 4.02Å; L303-L393 HydrophobicContact CG-CD1 4.33Å; L303-K451 WeakPolarHBondContact O-CE 3.34Å; L303-K451 PolarHBondContact O-NZ 3.34Å; L303-Q456 PolarHBondContact O-NE2 2.98Å | ||
| 304 | S | 93.5 | Very high | 92.5 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 16% | 0.161 | 26% | 0.259 | C | S | . | . | trans | -101 | 132.1 | -176 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | C302 R306 R309 K451 | C302-S304 PolarHBondContact O-N 3.11Å; S304-R306 PolarHBondContact OG-N 3.18Å; S304-R309 CarbonylContact O-C 3.6Å; S304-R309 WeakPolarHBondContact O-CB 3.29Å; S304-K451 VanDerWaalsContact CA-NZ 3.34Å | ||
| 305 | C | 92.8 | Very high | 92.7 | Very high | 37 Ų | 37 | 55 Ų | 55 | 25% | 0.25 | 25% | 0.251 | C | S | . | . | trans | -95.1 | -6.5 | 170.7 | -73.7 | 0 | 0 | 0 | 0 | 114.5 | K307 N308 C310 Q456 | C305-K307 PolarHBondContact O-N 2.87Å; C305-N308 PolarHBondContact O-N 3.36Å; C305-C310 WeakPolarHBondContact CA-SG 3.05Å; C305-C310 HydrophobicContact CB-CB 3.96Å; C305-C310 WeakPolarHBondContact CB-SG 3.08Å; C305-C310 WeakPolarHBondContact SG-CB 3.34Å; C305-C310 CovalentContact SG-SG 2.03Å; C305-C310 PolarHBondContact SG-SG 3.3Å; C305-Q456 HydrophobicContact CB-CG 4.05Å; C305-Q456 VanDerWaalsContact N-OE1 3.13Å | ||
| 306 | R | 90.3 | Very high | 92.8 | Very high | 193 Ų | 193 | 52.5 Ų | 52.5 | 73% | 0.728 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -59.9 | 137.5 | 179.8 | -65.1 | -177.1 | 177.6 | -170.8 | -4.2 | 111.5 | S304 N308 R309 | S304-R306 PolarHBondContact OG-N 3.18Å; R306-N308 VanDerWaalsContact C-N 3.32Å; R306-N308 PolarHBondContact O-N 2.78Å; R306-R309 WeakPolarHBondContact O-CB 3.32Å; R306-R309 VanDerWaalsContact O-CG 3.27Å; R306-R309 WeakPolarHBondContact O-CG 3.45Å; R306-R309 PolarHBondContact O-N 2.61Å |
| 307 | K | 87.1 | Confident | 92.8 | Very high | 190 Ų | 190 | 47.3 Ų | 47.3 | 83% | 0.826 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | 55.5 | 43.5 | 179.2 | -56.6 | -177.6 | 176.2 | -173.5 | 0 | 112.5 | C305 R309 | C305-K307 PolarHBondContact O-N 2.87Å; K307-R309 PolarHBondContact O-N 3.03Å |
| 308 | N | 86.4 | Confident | 92.7 | Very high | 87 Ų | 87 | 55.7 Ų | 55.7 | 47% | 0.465 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | 59.1 | 28.8 | 179.4 | -52.7 | -17 | 0 | 0 | 0 | 114 | C305 R306 C310 M320 | C305-N308 PolarHBondContact O-N 3.36Å; R306-N308 VanDerWaalsContact C-N 3.32Å; R306-N308 PolarHBondContact O-N 2.78Å; N308-C310 PolarHBondContact O-N 3.19Å; N308-M320 HydrophobicContact CB-SD 4.21Å |
| 309 | R | 91.7 | Very high | 92.5 | Very high | 130 Ų | 130 | 58.2 Ų | 58.2 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | trans | -76.1 | 2 | 174.3 | -73.4 | -175.8 | -171.6 | -169.3 | 2 | 113.6 | Q290 S304 R306 K307 | Q290-R309 HydrophobicContact CB-CB 4.34Å; Q290-R309 WeakPolarHBondContact CB-O 3.43Å; Q290-R309 PolarHBondContact N-O 3.03Å; S304-R309 CarbonylContact O-C 3.6Å; S304-R309 WeakPolarHBondContact O-CB 3.29Å; R306-R309 WeakPolarHBondContact O-CB 3.32Å; R306-R309 VanDerWaalsContact O-CG 3.27Å; R306-R309 WeakPolarHBondContact O-CG 3.45Å; R306-R309 PolarHBondContact O-N 2.61Å; K307-R309 PolarHBondContact O-N 3.03Å | ||
| 310 | C | 93.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 14% | 0.142 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 155.9 | 166.5 | 80.2 | 0 | 0 | 0 | 0 | 109.2 | A288 Y289 C305 N308 | A288-C310 CarbonylContact O-C 3.58Å; A288-C310 WeakPolarHBondContact O-CA 3.24Å; A288-C310 WeakPolarHBondContact O-CB 3.28Å; Y289-C310 HydrophobicContact CD1-CB 3.73Å; Y289-C310 HydrophobicContact CE1-CB 4.01Å; C305-C310 WeakPolarHBondContact CA-SG 3.05Å; C305-C310 HydrophobicContact CB-CB 3.96Å; C305-C310 WeakPolarHBondContact CB-SG 3.08Å; C305-C310 WeakPolarHBondContact SG-CB 3.34Å; C305-C310 CovalentContact SG-SG 2.03Å; C305-C310 PolarHBondContact SG-SG 3.3Å; N308-C310 PolarHBondContact O-N 3.19Å |
| 311 | N | 94.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 68 Ų | 68 | 8% | 0.08 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 160.6 | 179.7 | -149.2 | -20.4 | 0 | 0 | 0 | 109.7 | Y287 A288 R318 M328 | Y287-N311 CarbonylContact C-O 3.58Å; Y287-N311 WeakPolarHBondContact CA-O 3.19Å; A288-N311 PolarHBondContact N-O 3.1Å; A288-N311 PolarHBondContact O-N 2.86Å; N311-R318 PolarHBondContact ND2-O 3.4Å; N311-R318 PolarHBondContact OD1-N 3.34Å; N311-R318 VanDerWaalsContact OD1-N 3.14Å; N311-M328 HydrophobicContact CB-CE 3.95Å; N311-M328 HydrophobicContact CB-SD 3.69Å |
| 312 | N | 93.7 | Very high | 90.1 | Very high | 22 Ų | 22 | 73.6 Ų | 73.6 | 12% | 0.118 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 156.4 | 166 | -58 | -52.5 | 0 | 0 | 0 | 109.3 | Y287 N316 A317 | Y287-N312 VanDerWaalsContact CE1-OD1 3.27Å; Y287-N312 WeakPolarHBondContact CE1-OD1 3.42Å; N312-N316 HydrophobicContact CB-CB 3.92Å; N312-N316 WeakPolarHBondContact CB-O 3.5Å; N312-N316 PolarHBondContact ND2-O 3.46Å; N312-N316 VanDerWaalsContact ND2-O 3.09Å; N312-A317 WeakPolarHBondContact O-CA 3.39Å; N312-A317 VanDerWaalsContact O-CB 3.32Å; N312-A317 WeakPolarHBondContact O-CB 3.49Å |
| 313 | I | 93.4 | Very high | 88.4 | Confident | 6 Ų | 6 | 81.8 Ų | 81.8 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | trans | -94.7 | 157.1 | 169.4 | 75.1 | 176.3 | 0 | 0 | 0 | 111.2 | I237 L274 S278 S286 A288 L330 | I237-I313 HydrophobicContact CD1-CB 4.21Å; I237-I313 HydrophobicContact CD1-CG2 4.09Å; I237-I313 HydrophobicContact CG2-CG2 4.04Å; L274-I313 HydrophobicContact CD2-CD1 4.38Å; S278-I313 WeakPolarHBondContact CB-O 3.37Å; S286-I313 VanDerWaalsContact CB-CD1 3.43Å; S286-I313 PolarHBondContact O-N 3.08Å; A288-I313 HydrophobicContact CB-CG2 3.76Å; I313-L330 HydrophobicContact CD1-CD1 3.91Å; I313-L330 HydrophobicContact CG2-CD1 3.88Å; I313-L330 HydrophobicContact CG2-CD2 4.17Å | ||
| 314 | G | 94.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 88.9 Ų | 88.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | 64.2 | -136.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | R183 S278 N316 A317 | R183-G314 PolarHBondContact NH2-O 2.99Å; S278-G314 WeakPolarHBondContact OG-CA 3.48Å; G314-N316 VanDerWaalsContact C-N 3.27Å; G314-N316 PolarHBondContact O-N 3.38Å; G314-N316 VanDerWaalsContact O-N 3.12Å; G314-A317 WeakPolarHBondContact O-CB 3.45Å; G314-A317 PolarHBondContact O-N 3.17Å |
| 315 | Y | 95.3 | Very high | 86.3 | Confident | 21 Ų | 21 | 90.7 Ų | 90.7 | 8% | 0.082 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -57.6 | -36.3 | -168.1 | -165.5 | -104.5 | 0 | 0 | 0 | 114 | K79 R107 E108 H159 R183 F275 S278 L279 A317 | K79-Y315 PolarHBondContact NZ-OH 3.21Å; R107-Y315 HydrophobicContact CG-CD1 4.33Å; R107-Y315 HydrophobicContact CG-CE1 4.24Å; E108-Y315 HydrophobicContact CG-CE1 4.41Å; E108-Y315 WeakPolarHBondContact CG-OH 3.37Å; E108-Y315 VanDerWaalsContact OE1-CE1 3.22Å; E108-Y315 WeakPolarHBondContact OE1-CE1 3.48Å; E108-Y315 PolarHBondContact OE1-OH 3.44Å; H159-Y315 AromaticContact ND1-CE2 3.88Å; R183-Y315 PolarHBondContact NH1-O 3.27Å; F275-Y315 HydrophobicContact CE1-CD2 4.35Å; F275-Y315 AromaticContact CZ-CD2 3.87Å; F275-Y315 HydrophobicContact CZ-CD2 3.87Å; S278-Y315 PolarHBondContact OG-N 3.18Å; L279-Y315 VanDerWaalsContact CD2-CB 3.49Å; L279-Y315 HydrophobicContact CD2-CD1 3.87Å; L279-Y315 HydrophobicContact CD2-CD2 3.49Å; L279-Y315 VanDerWaalsContact CD2-CD2 3.49Å; L279-Y315 HydrophobicContact CD2-CE2 4.19Å; L279-Y315 HydrophobicContact CD2-CG 3.31Å; L279-Y315 HydrophobicContact CG-CG 4.37Å; Y315-A317 VanDerWaalsContact C-N 3.3Å; Y315-A317 PolarHBondContact O-N 3.07Å |
| 316 | N | 93.5 | Very high | 86.2 | Confident | 36 Ų | 36 | 89 Ų | 89 | 19% | 0.193 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -87.3 | 5.5 | -178.4 | -57.2 | -58 | 0 | 0 | 0 | 113.9 | R107 S278 N312 G314 | R107-N316 PolarHBondContact NH2-OD1 3.22Å; S278-N316 PolarHBondContact O-ND2 3.09Å; N312-N316 HydrophobicContact CB-CB 3.92Å; N312-N316 WeakPolarHBondContact CB-O 3.5Å; N312-N316 PolarHBondContact ND2-O 3.46Å; N312-N316 VanDerWaalsContact ND2-O 3.09Å; G314-N316 VanDerWaalsContact C-N 3.27Å; G314-N316 PolarHBondContact O-N 3.38Å; G314-N316 VanDerWaalsContact O-N 3.12Å |
| 317 | A | 94.2 | Very high | 86.4 | Confident | 7 Ų | 7 | 83.3 Ų | 83.3 | 6% | 0.058 | 35% | 0.353 | C | S | . | . | trans | -62 | 145.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | F210 I235 N312 G314 Y315 | F210-A317 HydrophobicContact CE1-CB 4.46Å; F210-A317 HydrophobicContact CZ-CB 4.32Å; I235-A317 HydrophobicContact CD1-CB 3.79Å; N312-A317 WeakPolarHBondContact O-CA 3.39Å; N312-A317 VanDerWaalsContact O-CB 3.32Å; N312-A317 WeakPolarHBondContact O-CB 3.49Å; G314-A317 WeakPolarHBondContact O-CB 3.45Å; G314-A317 PolarHBondContact O-N 3.17Å; Y315-A317 VanDerWaalsContact C-N 3.3Å; Y315-A317 PolarHBondContact O-N 3.07Å | ||
| 318 | R | 91.1 | Very high | 86.9 | Confident | 180 Ų | 180 | 74.3 Ų | 74.3 | 68% | 0.679 | 31% | 0.314 | S | S | * | . | trans | -126.3 | 140 | -174.3 | -60.2 | -176.9 | -179.2 | -173.2 | -1.5 | 111.9 | F210 N311 M320 | F210-R318 VanDerWaalsContact CZ-C 3.5Å; N311-R318 PolarHBondContact ND2-O 3.4Å; N311-R318 PolarHBondContact OD1-N 3.34Å; N311-R318 VanDerWaalsContact OD1-N 3.14Å; R318-M320 PolarHBondContact O-N 3.05Å | ||
| 319 | K | 88.8 | Confident | 87.4 | Confident | 116 Ų | 116 | 70.5 Ų | 70.5 | 50% | 0.504 | 29% | 0.293 | S | S | . | . | trans | -55.2 | 132.9 | 171.9 | -167.7 | 178.2 | -169.6 | 172.3 | 0 | 111 | D209 F210 | D209-K319 WeakPolarHBondContact O-CD 3.44Å; D209-K319 WeakPolarHBondContact O-CE 3.31Å; D209-K319 PolarHBondContact O-NZ 3.41Å; F210-K319 HydrophobicContact CB-CB 4.28Å; F210-K319 HydrophobicContact CB-CD 4.43Å; F210-K319 HydrophobicContact CD2-CB 3.66Å; F210-K319 HydrophobicContact CD2-CG 3.9Å; F210-K319 HydrophobicContact CE2-CB 4.11Å; F210-K319 HydrophobicContact CG-CB 3.9Å; F210-K319 HydrophobicContact CG-CG 4.41Å | ||
| 320 | M | 85.4 | Confident | 87.6 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | trans | -93.4 | 135.4 | 178.6 | -62.2 | -159.3 | -65.2 | 0 | 0 | 111.1 | I235 N308 R318 K322 S326 M328 | I235-M320 HydrophobicContact CG2-CE 3.81Å; I235-M320 HydrophobicContact CG2-CG 4.16Å; N308-M320 HydrophobicContact CB-SD 4.21Å; R318-M320 PolarHBondContact O-N 3.05Å; M320-K322 PolarHBondContact O-N 2.03Å; M320-K322 VanDerWaalsContact O-N 3.07Å; M320-S326 WeakPolarHBondContact CE-OG 3.47Å; M320-M328 HydrophobicContact CE-CE 3.72Å; M320-M328 HydrophobicContact SD-CE 3.47Å; M320-M328 WeakPolarHBondContact SD-CE 3.44Å | ||
| 321 | R | 74.9 | Confident | 87.7 | Confident | 241 Ų | 241 | 66 Ų | 66 | 91% | 0.909 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -57.5 | -22.7 | -177.2 | -87.9 | -177.5 | 169.7 | 157.4 | -2.8 | 115.9 | ||
| 322 | K | 65.9 | Low | 87.7 | Confident | 184 Ų | 184 | 65.5 Ų | 65.5 | 80% | 0.8 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -149.2 | 132.8 | -179 | -68.9 | -165.8 | 176.8 | -168.6 | 0 | 111.5 | M320 | M320-K322 PolarHBondContact O-N 2.03Å; M320-K322 VanDerWaalsContact O-N 3.07Å |
| 323 | R | 60.1 | Low | 87.7 | Confident | 187 Ų | 187 | 67 Ų | 67 | 71% | 0.706 | 28% | 0.276 | S | S | * | . | trans | 95.1 | 110.1 | 178.6 | -63.2 | -178.5 | 166.2 | 177.2 | -8.6 | 114.8 | S326 | R323-S326 PolarHBondContact O-OG 3.07Š| ||
| 324 | R | 69.1 | Low | 87.6 | Confident | 150 Ų | 150 | 68.4 Ų | 68.4 | 57% | 0.566 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -60.8 | 150.4 | 154.1 | -65 | -177.5 | -180 | -164.6 | -8.2 | 109 | D206 | D206-R324 VanDerWaalsContact CG-NH1 3.34Å; D206-R324 IonicContact OD1-CZ 3.04Å; D206-R324 IonicContact OD1-NH1 3.67Å; D206-R324 PolarHBondContact OD1-NH1 2.79Å; D206-R324 IonicContact OD1-NH2 4Å; D206-R324 PolarHBondContact OD1-NH2 2.05Å; D206-R324 IonicContact OD2-CZ 2.8Å; D206-R324 IonicContact OD2-NH1 2.58Å; D206-R324 PolarHBondContact OD2-NH1 2.86Å; D206-R324 IonicContact OD2-NH2 3.79Å |
| 325 | N | 77.2 | Confident | 87.3 | Confident | 61 Ų | 61 | 76.3 Ų | 76.3 | 33% | 0.326 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 62.7 | 48.7 | 172.5 | -52.5 | 1.3 | 0 | 0 | 0 | 114.1 | P205 P231 G233 D234 K327 | P205-N325 WeakPolarHBondContact CG-OD1 3.19Å; P231-N325 HydrophobicContact CB-CB 4.02Å; P231-N325 HydrophobicContact CG-CB 4.08Å; G233-N325 WeakPolarHBondContact O-CA 3.41Å; G233-N325 PolarHBondContact O-N 3.25Å; G233-N325 VanDerWaalsContact O-N 3.13Å; G233-N325 PolarHBondContact O-OD1 3.07Å; G233-N325 VanDerWaalsContact O-OD1 3.07Å; D234-N325 PolarHBondContact O-N 2.81Å; N325-K327 PolarHBondContact O-N 2.83Å |
| 326 | S | 89.7 | Confident | 87 | Confident | 2 Ų | 2 | 79.4 Ų | 79.4 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 101.2 | 178.4 | -73.9 | 0 | 0 | 0 | 0 | 112.2 | D234 D236 Q290 M320 R323 M328 | D234-S326 PolarHBondContact O-N 2.81Å; D234-S326 VanDerWaalsContact O-N 3.12Å; D236-S326 PolarHBondContact N-O 2.83Å; Q290-S326 PolarHBondContact NE2-OG 2.81Å; M320-S326 WeakPolarHBondContact CE-OG 3.47Å; R323-S326 PolarHBondContact O-OG 3.07Å; S326-M328 PolarHBondContact O-N 2.92Å |
| 327 | K | 95.1 | Very high | 86.9 | Confident | 73 Ų | 73 | 79.5 Ų | 79.5 | 32% | 0.317 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 124.7 | 172.6 | -57.1 | -167.5 | 178 | -169 | 0 | 112.3 | P231 D236 Y238 Q290 C291 N325 Y329 | P231-K327 HydrophobicContact CB-CG 4.36Å; P231-K327 VanDerWaalsContact CG-CE 3.49Å; D236-K327 CarbonylContact O-C 3.53Å; D236-K327 WeakPolarHBondContact O-CA 3.36Å; Y238-K327 HydrophobicContact CD2-CB 4.49Å; Y238-K327 HydrophobicContact CE2-CB 4.13Å; Y238-K327 HydrophobicContact CE2-CD 4.14Å; Y238-K327 HydrophobicContact CE2-CG 3.92Å; Q290-K327 WeakPolarHBondContact CA-O 3.44Å; C291-K327 PolarHBondContact N-O 3.26Å; C291-K327 VanDerWaalsContact N-O 3.08Å; N325-K327 PolarHBondContact O-N 2.83Å; K327-Y329 HydrophobicContact CB-CE2 4.02Å |
| 328 | M | 96.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151 | 178.5 | -59.6 | -166.2 | 146.4 | 0 | 0 | 111.2 | D236 I237 Y238 A288 Y289 Q290 N311 M320 S326 | D236-M328 PolarHBondContact O-N 2.96Å; I237-M328 CarbonylContact C-O 3.58Å; I237-M328 WeakPolarHBondContact CA-O 2.94Å; I237-M328 HydrophobicContact CG1-CB 4.16Å; Y238-M328 PolarHBondContact N-O 3.32Å; A288-M328 HydrophobicContact CB-CB 3.72Å; A288-M328 HydrophobicContact CB-SD 4.28Å; Y289-M328 CarbonylContact O-C 3.59Å; Y289-M328 VanDerWaalsContact O-CA 3.31Å; Y289-M328 WeakPolarHBondContact O-CA 3.13Å; Q290-M328 HydrophobicContact CB-CE 3.94Å; Q290-M328 HydrophobicContact CB-CG 4.34Å; N311-M328 HydrophobicContact CB-CE 3.95Å; N311-M328 HydrophobicContact CB-SD 3.69Å; M320-M328 HydrophobicContact CE-CE 3.72Å; M320-M328 HydrophobicContact SD-CE 3.47Å; M320-M328 WeakPolarHBondContact SD-CE 3.44Å; S326-M328 PolarHBondContact O-N 2.92Å |
| 329 | Y | 97.3 | Very high | 86.9 | Confident | 8 Ų | 8 | 71.6 Ų | 71.6 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 150 | -175 | -58.1 | -93.1 | 0 | 0 | 0 | 110.8 | Y238 Y289 C291 P294 F297 K327 | Y238-Y329 HydrophobicContact CD2-CE1 4.19Å; Y238-Y329 HydrophobicContact CG-CE1 4.05Å; Y289-Y329 PolarHBondContact N-O 3.2Å; Y289-Y329 PolarHBondContact O-N 3.26Å; C291-Y329 HydrophobicContact CB-CD2 3.5Å; C291-Y329 VanDerWaalsContact CB-CD2 3.5Å; C291-Y329 HydrophobicContact CB-CE2 3.82Å; P294-Y329 HydrophobicContact CB-CD1 4.26Å; P294-Y329 HydrophobicContact CB-CE1 3.89Å; P294-Y329 HydrophobicContact CG-CE1 4.42Å; F297-Y329 HydrophobicContact CB-CD2 4.4Å; F297-Y329 HydrophobicContact CB-CG 4.14Å; F297-Y329 HydrophobicContact CD1-CG 4.43Å; F297-Y329 WeakPolarHBondContact CE2-O 3.39Å; F297-Y329 VanDerWaalsContact CG-CB 3.43Å; F297-Y329 HydrophobicContact CG-CG 4.18Å; K327-Y329 HydrophobicContact CB-CE2 4.02Å |
| 330 | L | 96.9 | Very high | 87 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 164.8 | 171.8 | 70.3 | 165.4 | 0 | 0 | 0 | 109.9 | I237 P239 N240 Y287 A288 F297 I313 T332 | I237-L330 HydrophobicContact CG2-CD2 3.46Å; I237-L330 VanDerWaalsContact CG2-CD2 3.46Å; P239-L330 HydrophobicContact CB-CD2 3.97Å; P239-L330 HydrophobicContact CG-CD2 3.94Å; N240-L330 WeakPolarHBondContact CA-O 3.37Å; N240-L330 PolarHBondContact N-O 2.72Å; Y287-L330 WeakPolarHBondContact O-CB 3.46Å; A288-L330 HydrophobicContact CB-CD2 4.12Å; F297-L330 VanDerWaalsContact CZ-CA 3.41Å; I313-L330 HydrophobicContact CD1-CD1 3.91Å; I313-L330 HydrophobicContact CG2-CD1 3.88Å; I313-L330 HydrophobicContact CG2-CD2 4.17Å; L330-T332 HydrophobicContact CD1-CG2 3.78Å; L330-T332 HydrophobicContact CG-CG2 3.98Å |
| 331 | K | 95.4 | Very high | 87.4 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | trans | -101.1 | 148.9 | 161 | -74.7 | -63.7 | -175.1 | -174.6 | 0 | 109.2 | N240 F297 H342 L393 F395 | N240-K331 HydrophobicContact CB-CD 4.44Å; N240-K331 PolarHBondContact O-NZ 3.2Å; N240-K331 VanDerWaalsContact O-NZ 3.15Å; N240-K331 WeakPolarHBondContact OD1-CA 3.28Å; N240-K331 VanDerWaalsContact OD1-CD 3.31Å; N240-K331 WeakPolarHBondContact OD1-CD 3.47Å; F297-K331 HydrophobicContact CE1-CG 4.2Å; K331-H342 PolarHBondContact N-NE2 3.45Å; K331-H342 PolarHBondContact O-NE2 3.4Å; K331-L393 HydrophobicContact CG-CD2 4.03Å; K331-F395 HydrophobicContact CB-CB 3.96Å; K331-F395 HydrophobicContact CB-CD1 3.99Å; K331-F395 HydrophobicContact CB-CD2 3.45Å; K331-F395 VanDerWaalsContact CB-CD2 3.45Å; K331-F395 HydrophobicContact CB-CE1 4.34Å; K331-F395 HydrophobicContact CB-CE2 3.84Å; K331-F395 HydrophobicContact CB-CG 3.52Å; K331-F395 HydrophobicContact CB-CZ 4.27Å; K331-F395 HydrophobicContact CG-CB 4.16Å; K331-F395 HydrophobicContact CG-CG 4.25Å; K331-F395 WeakPolarHBondContact O-CE2 3.08Å | ||
| 332 | T | 94.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | trans | -131.4 | 162.2 | 177.6 | 70.1 | 0 | 0 | 0 | 0 | 110.5 | P239 N240 L274 L330 F338 | P239-T332 HydrophobicContact CB-CG2 4.23Å; N240-T332 PolarHBondContact ND2-OG1 3.16Å; N240-T332 PolarHBondContact OD1-N 3.01Å; L274-T332 HydrophobicContact CD2-CG2 3.95Å; L330-T332 HydrophobicContact CD1-CG2 3.78Å; L330-T332 HydrophobicContact CG-CG2 3.98Å; T332-F338 CarbonylContact C-O 3.55Å; T332-F338 WeakPolarHBondContact CA-O 3.37Å; T332-F338 WeakPolarHBondContact CB-O 3.48Å | ||
| 333 | R | 92.8 | Very high | 89.9 | Confident | 55 Ų | 55 | 48.3 Ų | 48.3 | 21% | 0.208 | 23% | 0.225 | C | C | . | . | trans | -74.4 | 164.4 | 172.1 | -56.5 | -179.2 | 51.1 | -160.3 | 19.8 | 111.1 | R270 K335 P337 F338 G339 F395 E397 | R270-R333 PolarHBondContact NH1-O 3.37Å; R333-K335 VanDerWaalsContact C-N 3.33Å; R333-P337 VanDerWaalsContact CD-O 3.25Å; R333-P337 WeakPolarHBondContact CD-O 3.37Å; R333-P337 PolarHBondContact NH1-O 3.13Å; R333-F338 PolarHBondContact N-O 3.38Å; R333-G339 WeakPolarHBondContact CD-O 3.37Å; R333-G339 WeakPolarHBondContact CG-O 3.21Å; R333-F395 HydrophobicContact CG-CE1 4.42Å; R333-F395 HydrophobicContact CG-CZ 4.14Å; R333-E397 HydrophobicContact CB-CG 4.47Å; R333-E397 HydrophobicContact CG-CB 3.93Å; R333-E397 VanDerWaalsContact CG-CD 3.47Å; R333-E397 HydrophobicContact CG-CG 3.65Å; R333-E397 IonicContact CZ-OE2 3.74Å; R333-E397 IonicContact NE-OE2 3.73Å; R333-E397 PolarHBondContact NE-OE2 3.32Å; R333-E397 IonicContact NH2-OE2 3.03Å; R333-E397 PolarHBondContact NH2-OE2 3.4Å | ||
| 334 | A | 90.7 | Very high | 91.6 | Very high | 34 Ų | 34 | 40.3 Ų | 40.3 | 28% | 0.281 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -69.9 | -30.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P246 R270 | P246-A334 HydrophobicContact CB-CB 4.05Å; P246-A334 VanDerWaalsContact O-CA 3.32Å; P246-A334 WeakPolarHBondContact O-CA 3.1Å; R270-A334 PolarHBondContact NH1-O 2.69Å; R270-A334 VanDerWaalsContact NH1-O 3.09Å; R270-A334 PolarHBondContact NH2-O 2.79Å; R270-A334 VanDerWaalsContact NH2-O 3.09Å |
| 335 | K | 89.3 | Confident | 92.8 | Very high | 166 Ų | 166 | 33.2 Ų | 33.2 | 72% | 0.722 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -129.9 | 159.4 | -174.9 | -62.4 | -177.8 | -178.8 | 179.9 | 0 | 111.2 | R333 P337 F338 | R333-K335 VanDerWaalsContact C-N 3.33Å; K335-P337 CarbonylContact O-C 3.33Å; K335-P337 VanDerWaalsContact O-O 3.09Å; K335-F338 VanDerWaalsContact O-CD1 3.3Å; K335-F338 WeakPolarHBondContact O-CD1 3.34Å |
| 336 | T | 87.9 | Confident | 93.6 | Very high | 87 Ų | 87 | 34.1 Ų | 34.1 | 53% | 0.534 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -68.6 | 145.3 | 175.8 | 179.9 | 0 | 0 | 0 | 0 | 111 | D277 F338 | D277-T336 PolarHBondContact OD1-OG1 3.47Å; T336-F338 VanDerWaalsContact N-CE1 3.3Å |
| 337 | P | 92.4 | Very high | 93.8 | Very high | 38 Ų | 38 | 34.2 Ų | 34.2 | 25% | 0.247 | 17% | 0.169 | C | C | . | . | S | Bend | cis | -65.7 | 135.1 | -8.1 | 26.9 | -32.8 | 0 | 0 | 0 | 111 | D277 H284 R333 K335 G339 | D277-P337 WeakPolarHBondContact OD1-CA 3.35Å; H284-P337 HydrophobicContact CB-CB 4.42Å; R333-P337 VanDerWaalsContact CD-O 3.25Å; R333-P337 WeakPolarHBondContact CD-O 3.37Å; R333-P337 PolarHBondContact NH1-O 3.13Å; K335-P337 CarbonylContact O-C 3.33Å; K335-P337 VanDerWaalsContact O-O 3.09Å; P337-G339 VanDerWaalsContact C-N 3.34Å; P337-G339 PolarHBondContact O-N 3.43Å |
| 338 | F | 92.5 | Very high | 93.6 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 6% | 0.057 | 17% | 0.166 | C | C | . | . | trans | -81.5 | -14.6 | -169.4 | -65.8 | -61.9 | 0 | 0 | 0 | 113.9 | H273 L274 D277 T332 R333 K335 T336 | H273-F338 HydrophobicContact CB-CE2 3.81Å; H273-F338 HydrophobicContact CB-CZ 3.99Å; H273-F338 WeakPolarHBondContact O-CE2 3.39Å; L274-F338 HydrophobicContact CD2-CB 3.67Å; L274-F338 HydrophobicContact CD2-CD2 3.76Å; L274-F338 HydrophobicContact CD2-CG 3.79Å; L274-F338 HydrophobicContact CG-CD2 4.5Å; D277-F338 HydrophobicContact CB-CD2 3.58Å; D277-F338 HydrophobicContact CB-CE2 4.1Å; D277-F338 PolarHBondContact OD1-N 2.93Å; D277-F338 PolarHBondContact OD2-N 2.81Å; D277-F338 VanDerWaalsContact OD2-N 3.14Å; T332-F338 CarbonylContact C-O 3.55Å; T332-F338 WeakPolarHBondContact CA-O 3.37Å; T332-F338 WeakPolarHBondContact CB-O 3.48Å; R333-F338 PolarHBondContact N-O 3.38Å; K335-F338 VanDerWaalsContact O-CD1 3.3Å; K335-F338 WeakPolarHBondContact O-CD1 3.34Å; T336-F338 VanDerWaalsContact N-CE1 3.3Å | ||
| 339 | G | 91.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 7% | 0.072 | 17% | 0.166 | C | C | . | . | trans | -64.6 | 158.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S286 R333 P337 | S286-G339 WeakPolarHBondContact OG-CA 3.46Å; R333-G339 WeakPolarHBondContact CD-O 3.37Å; R333-G339 WeakPolarHBondContact CG-O 3.21Å; P337-G339 VanDerWaalsContact C-N 3.34Å; P337-G339 PolarHBondContact O-N 3.43Å | ||
| 340 | G | 92.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 12% | 0.124 | 18% | 0.178 | C | C | . | . | trans | -167.3 | -172.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T396 | G340-T396 WeakPolarHBondContact CA-O 3.34Š| ||
| 341 | Y | 94 | Very high | 92 | Very high | 48 Ų | 48 | 38.3 Ų | 38.3 | 19% | 0.188 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133 | -168.1 | -57.4 | -84 | 0 | 0 | 0 | 112 | F395 T396 E398 D399 E454 | Y341-F395 WeakPolarHBondContact O-CA 3.35Å; Y341-T396 HydrophobicContact CD2-CG2 4.47Å; Y341-T396 PolarHBondContact N-O 2.92Å; Y341-T396 PolarHBondContact O-N 3.1Å; Y341-E398 VanDerWaalsContact CD2-O 3.24Å; Y341-E398 WeakPolarHBondContact CD2-O 3.44Å; Y341-D399 VanDerWaalsContact CE2-CA 3.44Å; Y341-D399 HydrophobicContact CE2-CB 3.74Å; Y341-D399 WeakPolarHBondContact OH-CB 3.41Å; Y341-E454 WeakPolarHBondContact CA-OE2 3.19Å; Y341-E454 HydrophobicContact CD1-CB 4.34Å; Y341-E454 HydrophobicContact CD1-CG 4.02Å |
| 342 | H | 96 | Very high | 90.8 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123 | -175.2 | -59.9 | 83.6 | 0 | 0 | 0 | 110.8 | Y289 F297 L303 K331 L393 F395 G453 E454 | Y289-H342 HydrophobicContact CE2-CB 4.28Å; Y289-H342 AromaticContact CE2-CG 3.97Å; Y289-H342 AromaticContact CE2-ND1 3.85Å; F297-H342 AromaticContact CZ-CD2 3.91Å; L303-H342 HydrophobicContact CD1-CB 3.98Å; L303-H342 HydrophobicContact CD2-CB 3.75Å; K331-H342 PolarHBondContact N-NE2 3.45Å; K331-H342 PolarHBondContact O-NE2 3.4Å; H342-L393 HydrophobicContact CB-CD1 4.15Å; H342-F395 AromaticContact CD2-CD2 4Å; H342-F395 AromaticContact NE2-CD2 3.84Å; H342-G453 PolarHBondContact O-N 3.49Å; H342-E454 IonicContact CE1-OE1 3.97Å; H342-E454 IonicContact CG-OE1 3.43Å; H342-E454 PolarHBondContact N-OE1 2.84Å; H342-E454 PolarHBondContact N-OE2 3.43Å; H342-E454 IonicContact ND1-OE1 3.77Å; H342-E454 PolarHBondContact ND1-OE1 3.24Å |
| 343 | Y | 95.8 | Very high | 89.5 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121 | 177 | -61.8 | -87.4 | 0 | 0 | 0 | 110.1 | L366 V394 T396 I400 V450 K451 A452 | Y343-L366 HydrophobicContact CD2-CD1 4.11Å; Y343-L366 HydrophobicContact CE2-CD1 4.19Å; Y343-V394 PolarHBondContact N-O 3.26Å; Y343-V394 PolarHBondContact O-N 3.45Å; Y343-T396 HydrophobicContact CD2-CG2 4.33Å; Y343-T396 HydrophobicContact CE2-CG2 3.74Å; Y343-I400 HydrophobicContact CE2-CD1 4.41Å; Y343-V450 HydrophobicContact CD1-CG1 3.84Å; Y343-V450 HydrophobicContact CG-CG1 4.48Å; Y343-K451 WeakPolarHBondContact CA-O 3.44Å; Y343-A452 HydrophobicContact CD1-CB 3.93Å; Y343-A452 HydrophobicContact CE1-CB 3.73Å |
| 344 | Q | 96.1 | Very high | 88.1 | Confident | 19 Ų | 19 | 53 Ų | 53 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123.4 | 163.3 | 175.8 | 179.1 | 47.5 | 0 | 0 | 107.7 | G300 L303 K346 T391 V450 K451 | G300-Q344 VanDerWaalsContact O-CB 3.28Å; G300-Q344 WeakPolarHBondContact O-CB 3.41Å; G300-Q344 VanDerWaalsContact O-CG 3.25Å; G300-Q344 WeakPolarHBondContact O-CG 3.1Å; G300-Q344 PolarHBondContact O-NE2 3.37Å; L303-Q344 HydrophobicContact CD1-CB 3.8Å; L303-Q344 VanDerWaalsContact CD1-N 3.25Å; Q344-K346 HydrophobicContact CG-CG 4.3Å; Q344-T391 PolarHBondContact NE2-OG1 3.38Å; Q344-V450 CarbonylContact O-C 3.55Å; Q344-V450 VanDerWaalsContact O-CA 3.24Å; Q344-V450 WeakPolarHBondContact O-CA 3.46Å; Q344-K451 HydrophobicContact CB-CB 4.23Å; Q344-K451 PolarHBondContact N-O 2.98Å; Q344-K451 PolarHBondContact O-N 2.84Å |
| 345 | M | 94.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.5 | 173.2 | -63.8 | -155.5 | 174.9 | 0 | 0 | 110.2 | V364 L366 T391 F392 V394 I406 I448 R449 V450 | M345-V364 HydrophobicContact CE-CG1 4.16Å; M345-V364 HydrophobicContact SD-CG1 4.25Å; M345-L366 HydrophobicContact CE-CD1 4.39Å; M345-L366 HydrophobicContact CE-CD2 3.35Å; M345-L366 HydrophobicContact CE-CG 4.48Å; M345-T391 VanDerWaalsContact O-CA 3.3Å; M345-T391 WeakPolarHBondContact O-CA 3.37Å; M345-F392 HydrophobicContact CB-CD1 4.3Å; M345-F392 HydrophobicContact CB-CD2 3.66Å; M345-F392 HydrophobicContact CB-CE1 3.79Å; M345-F392 HydrophobicContact CB-CE2 3.14Å; M345-F392 HydrophobicContact CB-CG 4.21Å; M345-F392 HydrophobicContact CB-CZ 3.17Å; M345-F392 HydrophobicContact CG-CD2 4.34Å; M345-F392 HydrophobicContact CG-CE2 3.77Å; M345-F392 HydrophobicContact CG-CZ 4.15Å; M345-F392 PolarHBondContact N-O 2.84Å; M345-F392 WeakPolarHBondContact O-CD1 3.07Å; M345-F392 PolarHBondContact O-N 3.14Å; M345-F392 HydrophobicContact SD-CE2 3.62Å; M345-F392 HydrophobicContact SD-CZ 4.05Å; M345-V394 HydrophobicContact CB-CG2 4.45Å; M345-V394 HydrophobicContact CE-CB 4.29Å; M345-V394 HydrophobicContact CE-CG1 4.44Å; M345-V394 HydrophobicContact CE-CG2 4.1Å; M345-V394 HydrophobicContact CG-CB 4.48Å; M345-V394 HydrophobicContact CG-CG2 3.84Å; M345-V394 HydrophobicContact SD-CG2 3.74Å; M345-I406 HydrophobicContact CE-CD1 4.2Å; M345-I448 HydrophobicContact CB-CG2 4.34Å; M345-I448 HydrophobicContact SD-CG2 4.36Å; M345-R449 CarbonylContact C-O 3.36Å; M345-R449 WeakPolarHBondContact CA-O 3.42Å; M345-V450 HydrophobicContact CE-CG2 4.25Å; M345-V450 HydrophobicContact CG-CG2 4.11Å; M345-V450 HydrophobicContact SD-CG2 4.43Å |
| 346 | K | 94.5 | Very high | 85.2 | Confident | 81 Ų | 81 | 50 Ų | 50 | 35% | 0.352 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 121.6 | 176.1 | -57.5 | -171 | 177.7 | -166.3 | 0 | 109.5 | Q344 T389 N390 I448 R449 | Q344-K346 HydrophobicContact CG-CG 4.3Å; K346-T389 HydrophobicContact CB-CG2 4.11Å; K346-N390 VanDerWaalsContact CA-O 3.29Å; K346-N390 WeakPolarHBondContact CA-O 3.32Å; K346-I448 CarbonylContact O-C 3.58Å; K346-I448 WeakPolarHBondContact O-CA 3.42Å; K346-R449 HydrophobicContact CB-CB 4.31Å; K346-R449 PolarHBondContact N-O 3.34Å; K346-R449 PolarHBondContact O-N 3Å |
| 347 | M | 92.6 | Very high | 83.6 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139.8 | 174 | 74 | 174.1 | 76.5 | 0 | 0 | 109.5 | V349 T389 N390 F392 L408 I445 I448 | M347-V349 HydrophobicContact CG-CG2 3.95Å; M347-V349 HydrophobicContact SD-CG2 4.03Å; M347-T389 CarbonylContact O-C 3.58Å; M347-T389 WeakPolarHBondContact O-CA 3.36Å; M347-N390 PolarHBondContact N-O 2.98Å; M347-N390 PolarHBondContact O-N 2.9Å; M347-F392 HydrophobicContact CB-CE1 4.47Å; M347-F392 HydrophobicContact CE-CE1 3.39Å; M347-F392 HydrophobicContact CE-CE2 4.24Å; M347-F392 HydrophobicContact CE-CZ 3.19Å; M347-F392 HydrophobicContact CG-CE1 3.95Å; M347-F392 HydrophobicContact SD-CE1 4.39Å; M347-L408 HydrophobicContact CE-CD1 3.81Å; M347-L408 HydrophobicContact CE-CD2 3.78Å; M347-L408 HydrophobicContact CE-CG 4.46Å; M347-L408 HydrophobicContact SD-CD2 4Å; M347-I445 HydrophobicContact CB-CG2 4.08Å; M347-I445 HydrophobicContact SD-CD1 3.61Å; M347-I445 HydrophobicContact SD-CG1 4.3Å; M347-I445 HydrophobicContact SD-CG2 4.28Å; M347-I448 HydrophobicContact CB-CG1 4.21Å |
| 348 | H | 90.7 | Very high | 82 | Confident | 55 Ų | 55 | 53.1 Ų | 53.1 | 26% | 0.255 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125.3 | 170.4 | -167.6 | 93.2 | 0 | 0 | 0 | 108.2 | F350 N387 F388 T389 | H348-F350 HydrophobicContact CB-CE2 4.43Å; H348-F350 AromaticContact CD2-CD1 3.61Å; H348-F350 AromaticContact CD2-CD2 3.72Å; H348-F350 AromaticContact CD2-CE1 3.3Å; H348-F350 WeakPolarHBondContact CD2-CE1 3.15Å; H348-F350 AromaticContact CD2-CE2 3.41Å; H348-F350 VanDerWaalsContact CD2-CE2 3.41Å; H348-F350 WeakPolarHBondContact CD2-CE2 3.18Å; H348-F350 AromaticContact CD2-CG 3.81Å; H348-F350 AromaticContact CD2-CZ 3.19Å; H348-F350 WeakPolarHBondContact CD2-CZ 3.42Å; H348-F350 AromaticContact NE2-CD1 3.65Å; H348-F350 AromaticContact NE2-CE1 3.35Å; H348-F350 WeakPolarHBondContact NE2-CE1 3.35Å; H348-F350 AromaticContact NE2-CZ 3.73Å; H348-N387 PolarHBondContact CE1-O 3.3Å; H348-N387 VanDerWaalsContact CE1-O 3.23Å; H348-N387 PolarHBondContact NE2-O 3.38Å; H348-F388 WeakPolarHBondContact CA-O 3.14Å; H348-T389 PolarHBondContact ND1-OG1 2.85Å; H348-T389 VanDerWaalsContact ND1-OG1 3.16Å |
| 349 | V | 88.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 112.3 | -176.3 | 176.4 | 0 | 0 | 0 | 0 | 108 | M347 I384 L386 N387 F388 L443 I445 | M347-V349 HydrophobicContact CG-CG2 3.95Å; M347-V349 HydrophobicContact SD-CG2 4.03Å; V349-I384 HydrophobicContact CB-CG2 4.33Å; V349-I384 HydrophobicContact CG1-CG2 4.24Å; V349-I384 HydrophobicContact CG2-CG2 4Å; V349-L386 HydrophobicContact CG1-CD2 4.29Å; V349-N387 WeakPolarHBondContact O-CA 3.24Å; V349-N387 PolarHBondContact O-N 2.77Å; V349-F388 PolarHBondContact N-O 2.9Å; V349-L443 HydrophobicContact CG1-CB 4.17Å; V349-L443 HydrophobicContact CG1-CD1 4.02Å; V349-L443 HydrophobicContact CG1-CD2 3.89Å; V349-L443 HydrophobicContact CG1-CG 4.25Å; V349-I445 HydrophobicContact CG2-CD1 4.44Å; V349-I445 HydrophobicContact CG2-CG1 4.24Å |
| 350 | F | 87 | Confident | 80.5 | Confident | 61 Ų | 61 | 55 Ų | 55 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.7 | 176.8 | -59.9 | -86.4 | 0 | 0 | 0 | 110.1 | H348 N387 E444 R446 | H348-F350 HydrophobicContact CB-CE2 4.43Å; H348-F350 AromaticContact CD2-CD1 3.61Å; H348-F350 AromaticContact CD2-CD2 3.72Å; H348-F350 AromaticContact CD2-CE1 3.3Å; H348-F350 WeakPolarHBondContact CD2-CE1 3.15Å; H348-F350 AromaticContact CD2-CE2 3.41Å; H348-F350 VanDerWaalsContact CD2-CE2 3.41Å; H348-F350 WeakPolarHBondContact CD2-CE2 3.18Å; H348-F350 AromaticContact CD2-CG 3.81Å; H348-F350 AromaticContact CD2-CZ 3.19Å; H348-F350 WeakPolarHBondContact CD2-CZ 3.42Å; H348-F350 AromaticContact NE2-CD1 3.65Å; H348-F350 AromaticContact NE2-CE1 3.35Å; H348-F350 WeakPolarHBondContact NE2-CE1 3.35Å; H348-F350 AromaticContact NE2-CZ 3.73Å; F350-N387 WeakPolarHBondContact CA-OD1 3.46Å; F350-E444 HydrophobicContact CB-CB 4.08Å; F350-E444 HydrophobicContact CD2-CG 4.38Å; F350-E444 WeakPolarHBondContact CD2-O 3.42Å; F350-E444 PolarHBondContact N-O 2.8Å; F350-E444 PolarHBondContact O-N 3.27Å; F350-R446 HydrophobicContact CE2-CG 4.22Å |
| 351 | N | 81.1 | Confident | 80.3 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.4 | 175.2 | -174.5 | 9.2 | 0 | 0 | 0 | 109.9 | L386 N387 | N351-L386 HydrophobicContact CB-CB 4.12Å; N351-L386 HydrophobicContact CB-CD1 4.02Å; N351-L386 HydrophobicContact CB-CD2 4.22Å; N351-L386 HydrophobicContact CB-CG 4.35Å; N351-L386 WeakPolarHBondContact ND2-CD1 3.42Å; N351-N387 PolarHBondContact N-OD1 2.92Å |
| 352 | R | 71.2 | Confident | 80.1 | Confident | 132 Ų | 132 | 53.2 Ų | 53.2 | 50% | 0.498 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -43.6 | -176.9 | -86.4 | -81.1 | -173.6 | 153.2 | 8.9 | 113.7 | E444 E470 | R352-E444 HydrophobicContact CG-CB 3.96Å; R352-E444 IonicContact CZ-OE2 3.51Å; R352-E444 VanDerWaalsContact CZ-OE2 3.26Å; R352-E444 IonicContact NE-OE2 3.94Å; R352-E444 PolarHBondContact NE-OE2 3.36Å; R352-E444 IonicContact NH2-OE1 2.69Å; R352-E444 IonicContact NH2-OE2 3.62Å; R352-E444 PolarHBondContact NH2-OE2 3.03Å; R352-E470 IonicContact NE-OE1 3.65Å |
| 353 | K | 66.8 | Low | 80 | Confident | 127 Ų | 127 | 55.9 Ų | 55.9 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 95.9 | -174.1 | -64.8 | -179.6 | -175.9 | 167.9 | 0 | 111 | F355 V442 | K353-F355 PolarHBondContact O-N 3.18Å; K353-V442 HydrophobicContact CB-CB 4.28Å; K353-V442 HydrophobicContact CB-CG2 4.48Å; K353-V442 HydrophobicContact CD-CB 4.5Å; K353-V442 HydrophobicContact CD-CG2 4.22Å |
| 354 | Q | 64.3 | Low | 80 | Confident | 165 Ų | 165 | 55.3 Ų | 55.3 | 77% | 0.771 | 27% | 0.268 | S | S | * | . | trans | 33.8 | 71.5 | 170.9 | -80.3 | 177.7 | -18.8 | 0 | 0 | 115.5 | D356 | Q354-D356 PolarHBondContact O-N 3.09Š| ||
| 355 | F | 63.8 | Low | 80 | Confident | 11 Ų | 11 | 57 Ų | 57 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | trans | -94.3 | 59.4 | 170.6 | -166.1 | -99.3 | 0 | 0 | 0 | 111.2 | K353 N357 A358 P360 L386 W410 P441 L443 | K353-F355 PolarHBondContact O-N 3.18Å; F355-N357 VanDerWaalsContact C-N 3.31Å; F355-N357 PolarHBondContact O-N 2.82Å; F355-A358 HydrophobicContact CD2-CB 4.08Å; F355-A358 HydrophobicContact CE1-CB 4.31Å; F355-A358 WeakPolarHBondContact CE1-O 3.3Å; F355-A358 HydrophobicContact CE2-CB 3.35Å; F355-A358 HydrophobicContact CZ-CB 3.5Å; F355-A358 WeakPolarHBondContact CZ-O 3.25Å; F355-P360 HydrophobicContact CZ-CB 4.42Å; F355-P360 HydrophobicContact CZ-CG 4.2Å; F355-L386 HydrophobicContact CB-CD1 4.1Å; F355-L386 HydrophobicContact CD1-CD1 3.72Å; F355-L386 HydrophobicContact CD1-CD2 3.58Å; F355-L386 HydrophobicContact CD1-CG 4.04Å; F355-L386 HydrophobicContact CE1-CD2 4.03Å; F355-L386 HydrophobicContact CG-CD1 4.35Å; F355-L386 HydrophobicContact CG-CD2 4.26Å; F355-W410 HydrophobicContact CD2-CH2 4.24Å; F355-W410 AromaticContact CE2-CH2 3.58Å; F355-W410 HydrophobicContact CE2-CH2 3.58Å; F355-W410 AromaticContact CE2-CZ2 3.78Å; F355-W410 HydrophobicContact CE2-CZ2 3.78Å; F355-W410 HydrophobicContact CZ-CZ2 4.47Å; F355-P441 HydrophobicContact CD2-CB 3.48Å; F355-P441 VanDerWaalsContact CD2-CB 3.48Å; F355-P441 HydrophobicContact CD2-CG 4.47Å; F355-P441 HydrophobicContact CE2-CB 3.93Å; F355-L443 HydrophobicContact CB-CD2 4.41Å; F355-L443 HydrophobicContact CD1-CD2 4.36Å; F355-L443 HydrophobicContact CD2-CD2 3.97Å; F355-L443 HydrophobicContact CD2-CG 4.44Å; F355-L443 HydrophobicContact CE2-CD1 4.28Å; F355-L443 HydrophobicContact CE2-CD2 4.25Å; F355-L443 HydrophobicContact CE2-CG 4.4Å; F355-L443 HydrophobicContact CG-CD2 4.01Å; F355-L443 HydrophobicContact CZ-CD1 4.34Å | ||
| 356 | D | 55.9 | Low | 80.1 | Confident | 126 Ų | 126 | 57 Ų | 57 | 67% | 0.674 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -82.5 | -4.4 | -173.6 | -72.2 | -12.1 | 0 | 0 | 0 | 113.5 | Q354 | Q354-D356 PolarHBondContact O-N 3.09Š|
| 357 | N | 54.2 | Low | 80.2 | Confident | 144 Ų | 144 | 55.1 Ų | 55.1 | 77% | 0.77 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -160.5 | 20.5 | -172.1 | -101.9 | -17.8 | 0 | 0 | 0 | 118.4 | F355 | F355-N357 VanDerWaalsContact C-N 3.31Å; F355-N357 PolarHBondContact O-N 2.82Å |
| 358 | A | 57.5 | Low | 80.3 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | trans | -108 | 146.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F355 | F355-A358 HydrophobicContact CD2-CB 4.08Å; F355-A358 HydrophobicContact CE1-CB 4.31Å; F355-A358 WeakPolarHBondContact CE1-O 3.3Å; F355-A358 HydrophobicContact CE2-CB 3.35Å; F355-A358 HydrophobicContact CZ-CB 3.5Å; F355-A358 WeakPolarHBondContact CZ-O 3.25Å | ||
| 359 | D | 73.6 | Confident | 80.4 | Confident | 59 Ų | 59 | 55.2 Ų | 55.2 | 32% | 0.316 | 28% | 0.283 | S | S | . | . | trans | -118.3 | 106 | 170.4 | -171.6 | 25.5 | 0 | 0 | 0 | 105.8 | H380 P383 I384 | D359-H380 IonicContact OD1-CD2 3.32Å; D359-H380 IonicContact OD1-NE2 3.4Å; D359-H380 PolarHBondContact OD1-NE2 3.4Å; D359-H380 IonicContact OD2-CD2 2.66Å; D359-H380 IonicContact OD2-NE2 2.79Å; D359-P383 WeakPolarHBondContact OD1-CA 3.23Å; D359-I384 PolarHBondContact OD1-N 3.42Å | ||
| 360 | P | 80.6 | Confident | 80.5 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | trans | -78.4 | 131.6 | -161.7 | 32.2 | -31.3 | 0 | 0 | 0 | 111.1 | F355 F362 H380 I384 W410 L443 | F355-P360 HydrophobicContact CZ-CB 4.42Å; F355-P360 HydrophobicContact CZ-CG 4.2Å; P360-F362 HydrophobicContact CB-CE1 4.26Å; P360-F362 HydrophobicContact CB-CE2 4.02Å; P360-F362 HydrophobicContact CB-CZ 3.86Å; P360-F362 HydrophobicContact CG-CD2 4.24Å; P360-F362 HydrophobicContact CG-CE2 3.54Å; P360-F362 HydrophobicContact CG-CZ 3.75Å; P360-F362 PolarHBondContact O-N 2.82Å; P360-H380 PolarHBondContact O-CE1 2.88Å; P360-H380 VanDerWaalsContact O-CE1 3.31Å; P360-I384 HydrophobicContact CG-CB 3.91Å; P360-I384 HydrophobicContact CG-CG1 3.73Å; P360-I384 HydrophobicContact CG-CG2 4.22Å; P360-W410 HydrophobicContact CB-CD2 4.19Å; P360-W410 HydrophobicContact CB-CZ2 3.77Å; P360-L443 HydrophobicContact CB-CD1 4.34Å; P360-L443 HydrophobicContact CG-CD1 4.12Å | ||
| 361 | T | 86.8 | Confident | 80.8 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 13% | 0.129 | 32% | 0.322 | C | S | . | . | trans | -83.2 | 105.2 | 171.7 | -46.8 | 0 | 0 | 0 | 0 | 109.3 | Y363 F377 E411 | T361-Y363 HydrophobicContact CG2-CE2 4Å; T361-F377 HydrophobicContact CG2-CD2 3.92Å; T361-F377 HydrophobicContact CG2-CE2 3.39Å; T361-F377 HydrophobicContact CG2-CZ 4.4Å; T361-E411 WeakPolarHBondContact CB-OE2 3.38Å; T361-E411 HydrophobicContact CG2-CB 4.1Å; T361-E411 VanDerWaalsContact CG2-OE2 3.24Å; T361-E411 WeakPolarHBondContact CG2-OE2 3.48Å; T361-E411 PolarHBondContact O-N 2.9Å; T361-E411 PolarHBondContact OG1-OE2 2.85Å | ||
| 362 | F | 90.6 | Very high | 81.5 | Confident | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 140.4 | 176.5 | -68.8 | -55.2 | 0 | 0 | 0 | 112.7 | P360 V378 I384 L408 S409 W410 L443 I445 | P360-F362 HydrophobicContact CB-CE1 4.26Å; P360-F362 HydrophobicContact CB-CE2 4.02Å; P360-F362 HydrophobicContact CB-CZ 3.86Å; P360-F362 HydrophobicContact CG-CD2 4.24Å; P360-F362 HydrophobicContact CG-CE2 3.54Å; P360-F362 HydrophobicContact CG-CZ 3.75Å; P360-F362 PolarHBondContact O-N 2.82Å; F362-V378 HydrophobicContact CB-CB 4.17Å; F362-V378 HydrophobicContact CB-CG2 4.21Å; F362-V378 WeakPolarHBondContact O-CB 3.32Å; F362-V378 PolarHBondContact O-N 2.99Å; F362-I384 HydrophobicContact CE2-CG1 4.31Å; F362-L408 HydrophobicContact CB-CD1 3.9Å; F362-L408 HydrophobicContact CD1-CD1 3.99Å; F362-L408 HydrophobicContact CD1-CD2 4.46Å; F362-L408 HydrophobicContact CD1-CG 4.22Å; F362-L408 HydrophobicContact CG-CD1 4.02Å; F362-S409 WeakPolarHBondContact CA-O 3.4Å; F362-W410 HydrophobicContact CD1-CB 4.2Å; F362-W410 HydrophobicContact CD1-CG 4.49Å; F362-W410 HydrophobicContact CE1-CB 4.11Å; F362-W410 HydrophobicContact CE1-CD2 4.43Å; F362-W410 HydrophobicContact CE1-CG 4.21Å; F362-L443 HydrophobicContact CZ-CD1 3.95Å; F362-I445 HydrophobicContact CZ-CD1 4.26Å |
| 363 | Y | 93.7 | Very high | 82.6 | Confident | 59 Ų | 59 | 57.9 Ų | 57.9 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142 | 166.2 | -62.7 | -86.9 | 0 | 0 | 0 | 110.1 | T361 N375 I376 F377 L408 S409 E411 | T361-Y363 HydrophobicContact CG2-CE2 4Å; Y363-N375 HydrophobicContact CD1-CB 4.32Å; Y363-I376 CarbonylContact C-O 3.17Å; Y363-I376 WeakPolarHBondContact CA-O 3.35Å; Y363-F377 HydrophobicContact CD1-CB 4.13Å; Y363-F377 HydrophobicContact CD1-CD2 4.4Å; Y363-F377 HydrophobicContact CE1-CB 3.95Å; Y363-F377 HydrophobicContact CE1-CD2 4.01Å; Y363-F377 HydrophobicContact CE1-CG 4.39Å; Y363-L408 WeakPolarHBondContact O-CA 3.41Å; Y363-S409 PolarHBondContact N-O 2.95Å; Y363-S409 PolarHBondContact O-N 2.96Å; Y363-E411 HydrophobicContact CE2-CB 3.9Å; Y363-E411 HydrophobicContact CE2-CG 4.13Å; Y363-E411 PolarHBondContact OH-OE1 3.25Å |
| 364 | V | 95.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 129.5 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | M345 L366 I376 V378 F392 I406 R407 L408 | M345-V364 HydrophobicContact CE-CG1 4.16Å; M345-V364 HydrophobicContact SD-CG1 4.25Å; V364-L366 HydrophobicContact CG1-CD2 3.44Å; V364-L366 VanDerWaalsContact CG1-CD2 3.44Å; V364-L366 HydrophobicContact CG1-CG 4.26Å; V364-I376 PolarHBondContact N-O 2.89Å; V364-I376 WeakPolarHBondContact O-CB 3.33Å; V364-I376 PolarHBondContact O-N 2.92Å; V364-V378 HydrophobicContact CB-CG2 4.17Å; V364-V378 HydrophobicContact CG2-CG2 3.49Å; V364-V378 VanDerWaalsContact CG2-CG2 3.49Å; V364-F392 HydrophobicContact CG2-CE2 4.44Å; V364-I406 HydrophobicContact CG1-CG2 3.75Å; V364-R407 CarbonylContact C-O 3.6Å; V364-R407 WeakPolarHBondContact CA-O 3.33Å; V364-L408 HydrophobicContact CG2-CD1 3.71Å |
| 365 | K | 96.8 | Very high | 85.2 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.5 | 166.4 | 175.3 | 165 | 175.5 | 169 | 0 | 109.6 | Y367 T373 R407 | K365-Y367 HydrophobicContact CB-CE2 4.31Å; K365-Y367 HydrophobicContact CD-CE1 4.42Å; K365-Y367 HydrophobicContact CD-CE2 4.19Å; K365-Y367 WeakPolarHBondContact CD-OH 3.35Å; K365-Y367 HydrophobicContact CG-CD2 4.38Å; K365-Y367 HydrophobicContact CG-CE2 3.76Å; K365-T373 WeakPolarHBondContact CD-O 3.46Å; K365-T373 WeakPolarHBondContact CE-O 3.36Å; K365-T373 WeakPolarHBondContact CG-O 3.48Å; K365-R407 HydrophobicContact CB-CB 4.35Å; K365-R407 PolarHBondContact N-O 3.43Å; K365-R407 PolarHBondContact O-N 3.3Å |
| 366 | L | 96.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134.2 | 178.6 | -50.4 | -177.7 | 0 | 0 | 0 | 109.3 | Y343 M345 V364 D372 T373 I376 V394 I400 L403 I406 | Y343-L366 HydrophobicContact CD2-CD1 4.11Å; Y343-L366 HydrophobicContact CE2-CD1 4.19Å; M345-L366 HydrophobicContact CE-CD1 4.39Å; M345-L366 HydrophobicContact CE-CD2 3.35Å; M345-L366 HydrophobicContact CE-CG 4.48Å; V364-L366 HydrophobicContact CG1-CD2 3.44Å; V364-L366 VanDerWaalsContact CG1-CD2 3.44Å; V364-L366 HydrophobicContact CG1-CG 4.26Å; L366-D372 WeakPolarHBondContact O-CA 3.22Å; L366-T373 HydrophobicContact CB-CG2 3.83Å; L366-T373 HydrophobicContact CD1-CG2 4.35Å; L366-T373 HydrophobicContact CG-CG2 4.25Å; L366-T373 PolarHBondContact N-OG1 2.81Å; L366-T373 PolarHBondContact O-N 3.33Å; L366-I376 HydrophobicContact CD1-CD1 4.39Å; L366-I376 HydrophobicContact CG-CD1 4.45Å; L366-V394 HydrophobicContact CD1-CG1 4.33Å; L366-I400 HydrophobicContact CB-CD1 3.86Å; L366-I400 HydrophobicContact CD1-CD1 3.98Å; L366-L403 HydrophobicContact CB-CD1 3.8Å; L366-L403 HydrophobicContact CD2-CD1 4.08Å; L366-L403 HydrophobicContact CG-CD1 4.37Å; L366-I406 HydrophobicContact CD2-CG1 4.23Å; L366-I406 HydrophobicContact CD2-CG2 4.3Å |
| 367 | Y | 96.6 | Very high | 87.9 | Confident | 40 Ų | 40 | 51.4 Ų | 51.4 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.7 | 175.6 | -63.1 | -99 | 0 | 0 | 0 | 109 | K365 D372 L404 K405 R407 | K365-Y367 HydrophobicContact CB-CE2 4.31Å; K365-Y367 HydrophobicContact CD-CE1 4.42Å; K365-Y367 HydrophobicContact CD-CE2 4.19Å; K365-Y367 WeakPolarHBondContact CD-OH 3.35Å; K365-Y367 HydrophobicContact CG-CD2 4.38Å; K365-Y367 HydrophobicContact CG-CE2 3.76Å; Y367-D372 WeakPolarHBondContact CA-OD1 3.11Å; Y367-D372 HydrophobicContact CD1-CB 4.42Å; Y367-D372 VanDerWaalsContact CD1-CG 3.46Å; Y367-D372 WeakPolarHBondContact CD1-OD2 3.45Å; Y367-L404 PolarHBondContact O-N 3.28Å; Y367-K405 HydrophobicContact CD2-CB 4.2Å; Y367-K405 HydrophobicContact CD2-CD 4.29Å; Y367-K405 HydrophobicContact CD2-CG 3.75Å; Y367-K405 HydrophobicContact CE2-CG 4.36Å; Y367-K405 HydrophobicContact CG-CB 4.29Å; Y367-K405 HydrophobicContact CG-CG 4.21Å; Y367-K405 PolarHBondContact N-O 3.11Å; Y367-K405 PolarHBondContact O-N 2.84Å; Y367-R407 HydrophobicContact CE2-CB 3.8Å |
| 368 | G | 94.8 | Very high | 89.3 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | trans | -108.7 | 178.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | N371 D372 I400 L404 | G368-N371 VanDerWaalsContact CA-O 3.26Å; G368-N371 WeakPolarHBondContact CA-O 3.39Å; G368-N371 PolarHBondContact N-O 2.92Å; G368-N371 VanDerWaalsContact N-O 3.17Å; G368-D372 PolarHBondContact N-OD1 2.92Å; G368-I400 CarbonylContact C-O 3.55Å; G368-I400 WeakPolarHBondContact CA-O 3.34Å; G368-L404 WeakPolarHBondContact O-CD1 3.5Å | ||
| 369 | G | 93.1 | Very high | 90.1 | Very high | 49 Ų | 49 | 46.8 Ų | 46.8 | 51% | 0.505 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -82.3 | -25.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I400 D402 | G369-I400 PolarHBondContact N-O 3.38Å; G369-D402 PolarHBondContact N-O 2.85Å; G369-D402 VanDerWaalsContact N-O 3.14Å |
| 370 | H | 90.9 | Very high | 90 | Very high | 136 Ų | 136 | 46.2 Ų | 46.2 | 63% | 0.63 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -102.1 | -61.2 | 178.4 | -60.5 | 169.5 | 0 | 0 | 0 | 110.8 | D399 I400 | H370-D399 IonicContact ND1-OD2 3.35Å; H370-I400 PolarHBondContact N-O 3.01Å |
| 371 | N | 92.8 | Very high | 89.2 | Confident | 85 Ų | 85 | 49.2 Ų | 49.2 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | trans | -131.8 | 164.8 | -178.9 | -76.9 | -16.6 | 0 | 0 | 0 | 111.8 | G368 I400 | G368-N371 VanDerWaalsContact CA-O 3.26Å; G368-N371 WeakPolarHBondContact CA-O 3.39Å; G368-N371 PolarHBondContact N-O 2.92Å; G368-N371 VanDerWaalsContact N-O 3.17Å; N371-I400 WeakPolarHBondContact O-CA 3.29Å; N371-I400 WeakPolarHBondContact O-CB 3.24Å; N371-I400 WeakPolarHBondContact O-CG2 3.41Å | ||
| 372 | D | 95.3 | Very high | 88.5 | Confident | 75 Ų | 75 | 52.4 Ų | 52.4 | 40% | 0.401 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -107.7 | 153.6 | 169.4 | -67.3 | -17.1 | 0 | 0 | 0 | 110.4 | L366 Y367 G368 | L366-D372 WeakPolarHBondContact O-CA 3.22Å; Y367-D372 WeakPolarHBondContact CA-OD1 3.11Å; Y367-D372 HydrophobicContact CD1-CB 4.42Å; Y367-D372 VanDerWaalsContact CD1-CG 3.46Å; Y367-D372 WeakPolarHBondContact CD1-OD2 3.45Å; G368-D372 PolarHBondContact N-OD1 2.92Å |
| 373 | T | 95.1 | Very high | 88 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | trans | -85.9 | 163.6 | 174.2 | 71.7 | 0 | 0 | 0 | 0 | 112 | K365 L366 I376 T396 I400 | K365-T373 WeakPolarHBondContact CD-O 3.46Å; K365-T373 WeakPolarHBondContact CE-O 3.36Å; K365-T373 WeakPolarHBondContact CG-O 3.48Å; L366-T373 HydrophobicContact CB-CG2 3.83Å; L366-T373 HydrophobicContact CD1-CG2 4.35Å; L366-T373 HydrophobicContact CG-CG2 4.25Å; L366-T373 PolarHBondContact N-OG1 2.81Å; L366-T373 PolarHBondContact O-N 3.33Å; T373-I376 HydrophobicContact CG2-CD1 4.01Å; T373-T396 HydrophobicContact CG2-CG2 4.44Å; T373-T396 VanDerWaalsContact CG2-OG1 3.28Å; T373-T396 WeakPolarHBondContact CG2-OG1 3.38Å; T373-I400 HydrophobicContact CG2-CG2 3.68Å | ||
| 374 | G | 93.4 | Very high | 87.4 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 57% | 0.567 | 32% | 0.324 | S | S | * | . | trans | -65.8 | -175.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I376 | G374-I376 PolarHBondContact O-N 3.49Š| ||
| 375 | N | 91.2 | Very high | 86.8 | Confident | 108 Ų | 108 | 56.3 Ų | 56.3 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | trans | -72.5 | 114 | 169.9 | -73.7 | -18.9 | 0 | 0 | 0 | 109.2 | Y363 | Y363-N375 HydrophobicContact CD1-CB 4.32Š| ||
| 376 | I | 91.8 | Very high | 86.2 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 16% | 0.164 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.5 | 178.2 | -55.1 | 169.8 | 0 | 0 | 0 | 108.2 | Y363 V364 L366 T373 G374 V378 V394 | Y363-I376 CarbonylContact C-O 3.17Å; Y363-I376 WeakPolarHBondContact CA-O 3.35Å; V364-I376 PolarHBondContact N-O 2.89Å; V364-I376 WeakPolarHBondContact O-CB 3.33Å; V364-I376 PolarHBondContact O-N 2.92Å; L366-I376 HydrophobicContact CD1-CD1 4.39Å; L366-I376 HydrophobicContact CG-CD1 4.45Å; T373-I376 HydrophobicContact CG2-CD1 4.01Å; G374-I376 PolarHBondContact O-N 3.49Å; I376-V378 PolarHBondContact O-N 3.01Å; I376-V394 HydrophobicContact CD1-CG1 3.92Å; I376-V394 HydrophobicContact CG2-CG1 4.1Å |
| 377 | F | 86.1 | Confident | 85.7 | Confident | 98 Ų | 98 | 61 Ų | 61 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 129.5 | 174.1 | 175.6 | -122 | 0 | 0 | 0 | 111 | T361 Y363 V379 | T361-F377 HydrophobicContact CG2-CD2 3.92Å; T361-F377 HydrophobicContact CG2-CE2 3.39Å; T361-F377 HydrophobicContact CG2-CZ 4.4Å; Y363-F377 HydrophobicContact CD1-CB 4.13Å; Y363-F377 HydrophobicContact CD1-CD2 4.4Å; Y363-F377 HydrophobicContact CE1-CB 3.95Å; Y363-F377 HydrophobicContact CE1-CD2 4.01Å; Y363-F377 HydrophobicContact CE1-CG 4.39Å; F377-V379 HydrophobicContact CD1-CG2 3.74Å; F377-V379 HydrophobicContact CE1-CB 4.49Å; F377-V379 HydrophobicContact CE1-CG2 3.82Å; F377-V379 PolarHBondContact O-N 3.23Å |
| 378 | V | 82.4 | Confident | 85.3 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.018 | 38% | 0.382 | C | S | . | . | trans | -87.6 | 96.9 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | F362 V364 I376 H380 F392 | F362-V378 HydrophobicContact CB-CB 4.17Å; F362-V378 HydrophobicContact CB-CG2 4.21Å; F362-V378 WeakPolarHBondContact O-CB 3.32Å; F362-V378 PolarHBondContact O-N 2.99Å; V364-V378 HydrophobicContact CB-CG2 4.17Å; V364-V378 HydrophobicContact CG2-CG2 3.49Å; V364-V378 VanDerWaalsContact CG2-CG2 3.49Å; I376-V378 PolarHBondContact O-N 3.01Å; V378-H380 PolarHBondContact O-N 3.34Å; V378-H380 PolarHBondContact O-ND1 3.38Å; V378-F392 HydrophobicContact CB-CD2 4.42Å; V378-F392 HydrophobicContact CG1-CB 3.75Å; V378-F392 HydrophobicContact CG1-CD1 4.31Å; V378-F392 HydrophobicContact CG1-CD2 3.34Å; V378-F392 HydrophobicContact CG1-CE2 3.95Å; V378-F392 HydrophobicContact CG1-CG 3.55Å; V378-F392 HydrophobicContact CG2-CD2 4.19Å; V378-F392 HydrophobicContact CG2-CE2 4.14Å | ||
| 379 | V | 74.4 | Confident | 85.1 | Confident | 89 Ų | 89 | 67.9 Ų | 67.9 | 54% | 0.539 | 40% | 0.396 | S | S | . | . | trans | -69.1 | 119.3 | 174 | -174 | 0 | 0 | 0 | 0 | 109.6 | F377 | F377-V379 HydrophobicContact CD1-CG2 3.74Å; F377-V379 HydrophobicContact CE1-CB 4.49Å; F377-V379 HydrophobicContact CE1-CG2 3.82Å; F377-V379 PolarHBondContact O-N 3.23Å | ||
| 380 | H | 71.1 | Confident | 85 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 22% | 0.222 | 38% | 0.377 | C | S | . | . | trans | -119.8 | 133.9 | 172.4 | 48.3 | -81.1 | 0 | 0 | 0 | 109.3 | D359 P360 V378 D382 I384 | D359-H380 IonicContact OD1-CD2 3.32Å; D359-H380 IonicContact OD1-NE2 3.4Å; D359-H380 PolarHBondContact OD1-NE2 3.4Å; D359-H380 IonicContact OD2-CD2 2.66Å; D359-H380 IonicContact OD2-NE2 2.79Å; P360-H380 PolarHBondContact O-CE1 2.88Å; P360-H380 VanDerWaalsContact O-CE1 3.31Å; V378-H380 PolarHBondContact O-N 3.34Å; V378-H380 PolarHBondContact O-ND1 3.38Å; H380-D382 PolarHBondContact CD2-O 2.74Å; H380-I384 HydrophobicContact CB-CD1 4.26Å | ||
| 381 | A | 64.4 | Low | 85.1 | Confident | 64 Ų | 64 | 61.9 Ų | 61.9 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -86.5 | -25.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 382 | D | 73.1 | Confident | 85.1 | Confident | 88 Ų | 88 | 58.2 Ų | 58.2 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -116 | 153.7 | 176.7 | -48.3 | -41.4 | 0 | 0 | 0 | 108.6 | K299 H380 | K299-D382 WeakPolarHBondContact CE-OD2 3.33Å; K299-D382 IonicContact NZ-OD1 3.54Å; K299-D382 IonicContact NZ-OD2 2.76Å; K299-D382 PolarHBondContact NZ-OD2 2.91Å; H380-D382 PolarHBondContact CD2-O 2.74Å |
| 383 | P | 78.4 | Confident | 85 | Confident | 99 Ų | 99 | 55.4 Ų | 55.4 | 64% | 0.643 | 32% | 0.323 | S | S | * | . | trans | -53 | 144.2 | 170.9 | -24.1 | 33.5 | 0 | 0 | 0 | 111.4 | D359 G385 | D359-P383 WeakPolarHBondContact OD1-CA 3.23Å; P383-G385 PolarHBondContact O-N 3.37Å | ||
| 384 | I | 82.1 | Confident | 85 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | trans | -62.5 | 114 | 178.7 | -65.5 | -62.1 | 0 | 0 | 0 | 110.2 | V349 D359 P360 F362 H380 L386 N390 | V349-I384 HydrophobicContact CB-CG2 4.33Å; V349-I384 HydrophobicContact CG1-CG2 4.24Å; V349-I384 HydrophobicContact CG2-CG2 4Å; D359-I384 PolarHBondContact OD1-N 3.42Å; P360-I384 HydrophobicContact CG-CB 3.91Å; P360-I384 HydrophobicContact CG-CG1 3.73Å; P360-I384 HydrophobicContact CG-CG2 4.22Å; F362-I384 HydrophobicContact CE2-CG1 4.31Å; H380-I384 HydrophobicContact CB-CD1 4.26Å; I384-L386 PolarHBondContact O-N 2.93Å; I384-N390 HydrophobicContact CD1-CB 4.27Å | ||
| 385 | G | 81.8 | Confident | 85 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 24% | 0.237 | 30% | 0.303 | C | S | . | . | trans | -69.1 | 128.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | P383 N390 | P383-G385 PolarHBondContact O-N 3.37Å; G385-N390 PolarHBondContact N-OD1 3.28Å; G385-N390 PolarHBondContact O-ND2 2.82Å | ||
| 386 | L | 84.6 | Confident | 85.1 | Confident | 56 Ų | 56 | 49.8 Ų | 49.8 | 29% | 0.293 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 144.5 | 176 | -62.1 | -179.8 | 0 | 0 | 0 | 111.8 | V349 N351 F355 I384 F388 L443 | V349-L386 HydrophobicContact CG1-CD2 4.29Å; N351-L386 HydrophobicContact CB-CB 4.12Å; N351-L386 HydrophobicContact CB-CD1 4.02Å; N351-L386 HydrophobicContact CB-CD2 4.22Å; N351-L386 HydrophobicContact CB-CG 4.35Å; N351-L386 WeakPolarHBondContact ND2-CD1 3.42Å; F355-L386 HydrophobicContact CB-CD1 4.1Å; F355-L386 HydrophobicContact CD1-CD1 3.72Å; F355-L386 HydrophobicContact CD1-CD2 3.58Å; F355-L386 HydrophobicContact CD1-CG 4.04Å; F355-L386 HydrophobicContact CE1-CD2 4.03Å; F355-L386 HydrophobicContact CG-CD1 4.35Å; F355-L386 HydrophobicContact CG-CD2 4.26Å; I384-L386 PolarHBondContact O-N 2.93Å; L386-F388 PolarHBondContact O-N 3.21Å; L386-F388 VanDerWaalsContact O-N 3.11Å; L386-L443 HydrophobicContact CD2-CD2 3.82Å |
| 387 | N | 86.9 | Confident | 85.1 | Confident | 97 Ų | 97 | 52.2 Ų | 52.2 | 52% | 0.519 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 31.2 | -171.4 | -57.1 | -36.8 | 0 | 0 | 0 | 111.9 | H348 V349 F350 N351 | H348-N387 PolarHBondContact CE1-O 3.3Å; H348-N387 VanDerWaalsContact CE1-O 3.23Å; H348-N387 PolarHBondContact NE2-O 3.38Å; V349-N387 WeakPolarHBondContact O-CA 3.24Å; V349-N387 PolarHBondContact O-N 2.77Å; F350-N387 WeakPolarHBondContact CA-OD1 3.46Å; N351-N387 PolarHBondContact N-OD1 2.92Å |
| 388 | F | 87.6 | Confident | 85.3 | Confident | 130 Ų | 130 | 51.5 Ų | 51.5 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 157.2 | -173.1 | -163 | -100.1 | 0 | 0 | 0 | 111.1 | H348 V349 L386 N390 | H348-F388 WeakPolarHBondContact CA-O 3.14Å; V349-F388 PolarHBondContact N-O 2.9Å; L386-F388 PolarHBondContact O-N 3.21Å; L386-F388 VanDerWaalsContact O-N 3.11Å; F388-N390 PolarHBondContact O-ND2 3.18Å |
| 389 | T | 90.6 | Very high | 85.7 | Confident | 67 Ų | 67 | 54.4 Ų | 54.4 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 106.4 | 175.9 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | K346 M347 H348 | K346-T389 HydrophobicContact CB-CG2 4.11Å; M347-T389 CarbonylContact O-C 3.58Å; M347-T389 WeakPolarHBondContact O-CA 3.36Å; H348-T389 PolarHBondContact ND1-OG1 2.85Å; H348-T389 VanDerWaalsContact ND1-OG1 3.16Å |
| 390 | N | 91.4 | Very high | 86.6 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 139.8 | 176.6 | -63.4 | -76.9 | 0 | 0 | 0 | 109.7 | K346 M347 I384 G385 F388 | K346-N390 VanDerWaalsContact CA-O 3.29Å; K346-N390 WeakPolarHBondContact CA-O 3.32Å; M347-N390 PolarHBondContact N-O 2.98Å; M347-N390 PolarHBondContact O-N 2.9Å; I384-N390 HydrophobicContact CD1-CB 4.27Å; G385-N390 PolarHBondContact N-OD1 3.28Å; G385-N390 PolarHBondContact O-ND2 2.82Å; F388-N390 PolarHBondContact O-ND2 3.18Å |
| 391 | T | 92.9 | Very high | 87.6 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 23% | 0.233 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.4 | -179.3 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | K299 I301 Q344 M345 | K299-T391 HydrophobicContact CB-CG2 4.11Å; K299-T391 CarbonylContact O-C 3.59Å; K299-T391 PolarHBondContact O-OG1 3.45Å; I301-T391 HydrophobicContact CD1-CG2 4.4Å; I301-T391 HydrophobicContact CG1-CG2 4.18Å; Q344-T391 PolarHBondContact NE2-OG1 3.38Å; M345-T391 VanDerWaalsContact O-CA 3.3Å; M345-T391 WeakPolarHBondContact O-CA 3.37Å |
| 392 | F | 91.6 | Very high | 88.8 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 148.5 | -175.1 | 47.6 | -79.2 | 0 | 0 | 0 | 110 | K299 M345 M347 V364 V378 V394 | K299-F392 PolarHBondContact O-N 2.83Å; M345-F392 HydrophobicContact CB-CD1 4.3Å; M345-F392 HydrophobicContact CB-CD2 3.66Å; M345-F392 HydrophobicContact CB-CE1 3.79Å; M345-F392 HydrophobicContact CB-CE2 3.14Å; M345-F392 HydrophobicContact CB-CG 4.21Å; M345-F392 HydrophobicContact CB-CZ 3.17Å; M345-F392 HydrophobicContact CG-CD2 4.34Å; M345-F392 HydrophobicContact CG-CE2 3.77Å; M345-F392 HydrophobicContact CG-CZ 4.15Å; M345-F392 PolarHBondContact N-O 2.84Å; M345-F392 WeakPolarHBondContact O-CD1 3.07Å; M345-F392 PolarHBondContact O-N 3.14Å; M345-F392 HydrophobicContact SD-CE2 3.62Å; M345-F392 HydrophobicContact SD-CZ 4.05Å; M347-F392 HydrophobicContact CB-CE1 4.47Å; M347-F392 HydrophobicContact CE-CE1 3.39Å; M347-F392 HydrophobicContact CE-CE2 4.24Å; M347-F392 HydrophobicContact CE-CZ 3.19Å; M347-F392 HydrophobicContact CG-CE1 3.95Å; M347-F392 HydrophobicContact SD-CE1 4.39Å; V364-F392 HydrophobicContact CG2-CE2 4.44Å; V378-F392 HydrophobicContact CB-CD2 4.42Å; V378-F392 HydrophobicContact CG1-CB 3.75Å; V378-F392 HydrophobicContact CG1-CD1 4.31Å; V378-F392 HydrophobicContact CG1-CD2 3.34Å; V378-F392 HydrophobicContact CG1-CE2 3.95Å; V378-F392 HydrophobicContact CG1-CG 3.55Å; V378-F392 HydrophobicContact CG2-CD2 4.19Å; V378-F392 HydrophobicContact CG2-CE2 4.14Å; F392-V394 HydrophobicContact CD2-CG2 3.52Å; F392-V394 HydrophobicContact CE2-CG2 3.69Å |
| 393 | L | 94.3 | Very high | 89.9 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 126 | 168.3 | -177.8 | 66.4 | 0 | 0 | 0 | 108.4 | F297 K298 L303 K331 H342 | F297-L393 HydrophobicContact CD1-CD2 4.1Å; F297-L393 HydrophobicContact CE1-CD2 3.57Å; F297-L393 HydrophobicContact CE2-CD2 4.3Å; F297-L393 HydrophobicContact CZ-CD2 3.65Å; K298-L393 WeakPolarHBondContact O-CB 3.48Å; K298-L393 PolarHBondContact O-N 3.22Å; L303-L393 HydrophobicContact CD1-CD1 3.91Å; L303-L393 HydrophobicContact CD2-CD1 4.02Å; L303-L393 HydrophobicContact CG-CD1 4.33Å; K331-L393 HydrophobicContact CG-CD2 4.03Å; H342-L393 HydrophobicContact CB-CD1 4.15Å |
| 394 | V | 94.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.7 | 167.3 | -179.9 | 0 | 0 | 0 | 0 | 107 | Y343 M345 L366 I376 F392 | Y343-V394 PolarHBondContact N-O 3.26Å; Y343-V394 PolarHBondContact O-N 3.45Å; M345-V394 HydrophobicContact CB-CG2 4.45Å; M345-V394 HydrophobicContact CE-CB 4.29Å; M345-V394 HydrophobicContact CE-CG1 4.44Å; M345-V394 HydrophobicContact CE-CG2 4.1Å; M345-V394 HydrophobicContact CG-CB 4.48Å; M345-V394 HydrophobicContact CG-CG2 3.84Å; M345-V394 HydrophobicContact SD-CG2 3.74Å; L366-V394 HydrophobicContact CD1-CG1 4.33Å; I376-V394 HydrophobicContact CD1-CG1 3.92Å; I376-V394 HydrophobicContact CG2-CG1 4.1Å; F392-V394 HydrophobicContact CD2-CG2 3.52Å; F392-V394 HydrophobicContact CE2-CG2 3.69Å |
| 395 | F | 94.1 | Very high | 91.2 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 16% | 0.162 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 138.7 | 175.1 | 172.9 | -103.1 | 0 | 0 | 0 | 109 | K331 R333 Y341 H342 E397 | K331-F395 HydrophobicContact CB-CB 3.96Å; K331-F395 HydrophobicContact CB-CD1 3.99Å; K331-F395 HydrophobicContact CB-CD2 3.45Å; K331-F395 VanDerWaalsContact CB-CD2 3.45Å; K331-F395 HydrophobicContact CB-CE1 4.34Å; K331-F395 HydrophobicContact CB-CE2 3.84Å; K331-F395 HydrophobicContact CB-CG 3.52Å; K331-F395 HydrophobicContact CB-CZ 4.27Å; K331-F395 HydrophobicContact CG-CB 4.16Å; K331-F395 HydrophobicContact CG-CG 4.25Å; K331-F395 WeakPolarHBondContact O-CE2 3.08Å; R333-F395 HydrophobicContact CG-CE1 4.42Å; R333-F395 HydrophobicContact CG-CZ 4.14Å; Y341-F395 WeakPolarHBondContact O-CA 3.35Å; H342-F395 AromaticContact CD2-CD2 4Å; H342-F395 AromaticContact NE2-CD2 3.84Å; F395-E397 HydrophobicContact CE1-CG 4.16Å |
| 396 | T | 93.1 | Very high | 92 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 143.2 | 173.5 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | G340 Y341 Y343 T373 E398 | G340-T396 WeakPolarHBondContact CA-O 3.34Å; Y341-T396 HydrophobicContact CD2-CG2 4.47Å; Y341-T396 PolarHBondContact N-O 2.92Å; Y341-T396 PolarHBondContact O-N 3.1Å; Y343-T396 HydrophobicContact CD2-CG2 4.33Å; Y343-T396 HydrophobicContact CE2-CG2 3.74Å; T373-T396 HydrophobicContact CG2-CG2 4.44Å; T373-T396 VanDerWaalsContact CG2-OG1 3.28Å; T373-T396 WeakPolarHBondContact CG2-OG1 3.38Å; T396-E398 PolarHBondContact OG1-N 3.15Å |
| 397 | E | 90.8 | Very high | 92.6 | Very high | 83 Ų | 83 | 47.2 Ų | 47.2 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -81.1 | -20.8 | 176.5 | -49 | -154.4 | 164.5 | 0 | 0 | 112.4 | R333 F395 | R333-E397 HydrophobicContact CB-CG 4.47Å; R333-E397 HydrophobicContact CG-CB 3.93Å; R333-E397 VanDerWaalsContact CG-CD 3.47Å; R333-E397 HydrophobicContact CG-CG 3.65Å; R333-E397 IonicContact CZ-OE2 3.74Å; R333-E397 IonicContact NE-OE2 3.73Å; R333-E397 PolarHBondContact NE-OE2 3.32Å; R333-E397 IonicContact NH2-OE2 3.03Å; R333-E397 PolarHBondContact NH2-OE2 3.4Å; F395-E397 HydrophobicContact CE1-CG 4.16Å |
| 398 | E | 90.1 | Very high | 93 | Very high | 83 Ų | 83 | 42.6 Ų | 42.6 | 39% | 0.388 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -87.4 | 134 | -172.9 | -62 | -63.2 | 155.3 | 0 | 0 | 111.3 | Y341 T396 I400 | Y341-E398 VanDerWaalsContact CD2-O 3.24Å; Y341-E398 WeakPolarHBondContact CD2-O 3.44Å; T396-E398 PolarHBondContact OG1-N 3.15Å; E398-I400 HydrophobicContact CB-CG2 4.16Å; E398-I400 PolarHBondContact O-N 3.43Å; E398-I400 VanDerWaalsContact O-N 3.08Å |
| 399 | D | 90.9 | Very high | 93.3 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 34% | 0.342 | 20% | 0.195 | S | C | . | . | trans | -75.3 | 96.2 | 164.6 | -177 | 11.8 | 0 | 0 | 0 | 109.8 | Y341 H370 G401 | Y341-D399 VanDerWaalsContact CE2-CA 3.44Å; Y341-D399 HydrophobicContact CE2-CB 3.74Å; Y341-D399 WeakPolarHBondContact OH-CB 3.41Å; H370-D399 IonicContact ND1-OD2 3.35Å; D399-G401 VanDerWaalsContact C-N 3.26Å; D399-G401 PolarHBondContact OD1-N 3.41Å | ||
| 400 | I | 93.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -81.2 | -5.9 | 177.4 | 66.7 | 171.4 | 0 | 0 | 0 | 112.5 | Y343 L366 G368 G369 H370 N371 T373 E398 L403 | Y343-I400 HydrophobicContact CE2-CD1 4.41Å; L366-I400 HydrophobicContact CB-CD1 3.86Å; L366-I400 HydrophobicContact CD1-CD1 3.98Å; G368-I400 CarbonylContact C-O 3.55Å; G368-I400 WeakPolarHBondContact CA-O 3.34Å; G369-I400 PolarHBondContact N-O 3.38Å; H370-I400 PolarHBondContact N-O 3.01Å; N371-I400 WeakPolarHBondContact O-CA 3.29Å; N371-I400 WeakPolarHBondContact O-CB 3.24Å; N371-I400 WeakPolarHBondContact O-CG2 3.41Å; T373-I400 HydrophobicContact CG2-CG2 3.68Å; E398-I400 HydrophobicContact CB-CG2 4.16Å; E398-I400 PolarHBondContact O-N 3.43Å; E398-I400 VanDerWaalsContact O-N 3.08Å; I400-L403 HydrophobicContact CD1-CB 4.37Å; I400-L403 HydrophobicContact CD1-CD1 3.8Å | ||
| 401 | G | 91.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 35 Ų | 35 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | trans | 61.2 | -136.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D399 L403 | D399-G401 VanDerWaalsContact C-N 3.26Å; D399-G401 PolarHBondContact OD1-N 3.41Å; G401-L403 PolarHBondContact O-N 3.36Å | ||
| 402 | D | 91.4 | Very high | 92.6 | Very high | 81 Ų | 81 | 33.6 Ų | 33.6 | 43% | 0.433 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -73.6 | 120.7 | 177.7 | -82.5 | -34.1 | 0 | 0 | 0 | 111.5 | G369 L404 K457 | G369-D402 PolarHBondContact N-O 2.85Å; G369-D402 VanDerWaalsContact N-O 3.14Å; D402-L404 WeakPolarHBondContact O-CD2 3.44Å; D402-L404 WeakPolarHBondContact O-CG 3.47Å; D402-L404 PolarHBondContact O-N 3.02Å; D402-K457 IonicContact OD1-NZ 2.76Å; D402-K457 PolarHBondContact OD1-NZ 3.45Å |
| 403 | L | 94.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | trans | -62.1 | 120.8 | 176.3 | -178.2 | 64.9 | 0 | 0 | 0 | 111.5 | L366 I400 G401 I406 V450 F461 K481 | L366-L403 HydrophobicContact CB-CD1 3.8Å; L366-L403 HydrophobicContact CD2-CD1 4.08Å; L366-L403 HydrophobicContact CG-CD1 4.37Å; I400-L403 HydrophobicContact CD1-CB 4.37Å; I400-L403 HydrophobicContact CD1-CD1 3.8Å; G401-L403 PolarHBondContact O-N 3.36Å; L403-I406 HydrophobicContact CD1-CG1 4.3Å; L403-I406 HydrophobicContact CD2-CD1 4.14Å; L403-I406 HydrophobicContact CD2-CG1 4.24Å; L403-V450 HydrophobicContact CD2-CB 4.48Å; L403-V450 HydrophobicContact CD2-CG1 4.05Å; L403-V450 HydrophobicContact CD2-CG2 4.38Å; L403-F461 HydrophobicContact CB-CZ 4.23Å; L403-F461 HydrophobicContact CD2-CE2 3.63Å; L403-F461 HydrophobicContact CD2-CZ 3.62Å; L403-F461 HydrophobicContact CG-CE1 4.27Å; L403-F461 HydrophobicContact CG-CE2 4.14Å; L403-F461 HydrophobicContact CG-CZ 3.57Å; L403-K481 WeakPolarHBondContact O-CE 3.44Å; L403-K481 PolarHBondContact O-NZ 3Å | ||
| 404 | L | 93.6 | Very high | 89.6 | Confident | 83 Ų | 83 | 43.7 Ų | 43.7 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | trans | -106.4 | -41.2 | -175.2 | -57.5 | -174.2 | 0 | 0 | 0 | 113.3 | Y367 G368 D402 F461 | Y367-L404 PolarHBondContact O-N 3.28Å; G368-L404 WeakPolarHBondContact O-CD1 3.5Å; D402-L404 WeakPolarHBondContact O-CD2 3.44Å; D402-L404 WeakPolarHBondContact O-CG 3.47Å; D402-L404 PolarHBondContact O-N 3.02Å; L404-F461 WeakPolarHBondContact O-CE1 3.28Å | ||
| 405 | K | 95.5 | Very high | 87.5 | Confident | 53 Ų | 53 | 50 Ų | 50 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 152.6 | -175.3 | 162.1 | 173.8 | 157.3 | 161.9 | 0 | 111 | Y367 T478 F479 V480 | Y367-K405 HydrophobicContact CD2-CB 4.2Å; Y367-K405 HydrophobicContact CD2-CD 4.29Å; Y367-K405 HydrophobicContact CD2-CG 3.75Å; Y367-K405 HydrophobicContact CE2-CG 4.36Å; Y367-K405 HydrophobicContact CG-CB 4.29Å; Y367-K405 HydrophobicContact CG-CG 4.21Å; Y367-K405 PolarHBondContact N-O 3.11Å; Y367-K405 PolarHBondContact O-N 2.84Å; K405-T478 HydrophobicContact CD-CG2 3.41Å; K405-T478 VanDerWaalsContact CD-CG2 3.41Å; K405-T478 HydrophobicContact CG-CG2 3.66Å; K405-F479 WeakPolarHBondContact CA-O 3.29Å; K405-V480 HydrophobicContact CB-CG1 4.45Å; K405-V480 HydrophobicContact CD-CG1 4.41Å; K405-V480 HydrophobicContact CG-CG1 4.48Å |
| 406 | I | 97.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.4 | 177.4 | -55.7 | 173.9 | 0 | 0 | 0 | 107.4 | M345 V364 L366 L403 I448 V450 F461 T478 F479 | M345-I406 HydrophobicContact CE-CD1 4.2Å; V364-I406 HydrophobicContact CG1-CG2 3.75Å; L366-I406 HydrophobicContact CD2-CG1 4.23Å; L366-I406 HydrophobicContact CD2-CG2 4.3Å; L403-I406 HydrophobicContact CD1-CG1 4.3Å; L403-I406 HydrophobicContact CD2-CD1 4.14Å; L403-I406 HydrophobicContact CD2-CG1 4.24Å; I406-I448 HydrophobicContact CD1-CG2 4.27Å; I406-I448 HydrophobicContact CG2-CD1 4.23Å; I406-V450 HydrophobicContact CD1-CG2 3.64Å; I406-F461 HydrophobicContact CD1-CB 4.19Å; I406-F461 HydrophobicContact CD1-CD1 4.21Å; I406-F461 HydrophobicContact CD1-CD2 3.59Å; I406-F461 HydrophobicContact CD1-CE2 3.97Å; I406-F461 HydrophobicContact CD1-CG 3.74Å; I406-F461 HydrophobicContact CD1-CZ 4.48Å; I406-F461 HydrophobicContact CG1-CD1 4.24Å; I406-F461 HydrophobicContact CG1-CD2 4.43Å; I406-F461 HydrophobicContact CG1-CE1 4.46Å; I406-F461 HydrophobicContact CG1-CG 4.26Å; I406-T478 CarbonylContact O-C 3.45Å; I406-T478 WeakPolarHBondContact O-CA 3.43Å; I406-F479 HydrophobicContact CB-CB 4.42Å; I406-F479 PolarHBondContact N-O 3.07Å; I406-F479 PolarHBondContact O-N 3.32Å |
| 407 | R | 97.3 | Very high | 83.6 | Confident | 94 Ų | 94 | 57.1 Ų | 57.1 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.1 | 164.8 | 175.2 | 179.1 | -91.1 | 172.6 | -8 | 108.1 | V364 K365 Y367 I477 | V364-R407 CarbonylContact C-O 3.6Å; V364-R407 WeakPolarHBondContact CA-O 3.33Å; K365-R407 HydrophobicContact CB-CB 4.35Å; K365-R407 PolarHBondContact N-O 3.43Å; K365-R407 PolarHBondContact O-N 3.3Å; Y367-R407 HydrophobicContact CE2-CB 3.8Å; R407-I477 WeakPolarHBondContact CA-O 3.04Å |
| 408 | L | 96 | Very high | 81.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125.5 | 171 | 179.7 | 69 | 0 | 0 | 0 | 108.1 | M347 F362 Y363 V364 I445 S476 I477 F479 | M347-L408 HydrophobicContact CE-CD1 3.81Å; M347-L408 HydrophobicContact CE-CD2 3.78Å; M347-L408 HydrophobicContact CE-CG 4.46Å; M347-L408 HydrophobicContact SD-CD2 4Å; F362-L408 HydrophobicContact CB-CD1 3.9Å; F362-L408 HydrophobicContact CD1-CD1 3.99Å; F362-L408 HydrophobicContact CD1-CD2 4.46Å; F362-L408 HydrophobicContact CD1-CG 4.22Å; F362-L408 HydrophobicContact CG-CD1 4.02Å; Y363-L408 WeakPolarHBondContact O-CA 3.41Å; V364-L408 HydrophobicContact CG2-CD1 3.71Å; L408-I445 HydrophobicContact CD2-CD1 3.42Å; L408-I445 VanDerWaalsContact CD2-CD1 3.42Å; L408-S476 CarbonylContact O-C 3.5Å; L408-S476 WeakPolarHBondContact O-CA 3.49Å; L408-S476 WeakPolarHBondContact O-CB 3.3Å; L408-I477 PolarHBondContact N-O 2.63Å; L408-I477 PolarHBondContact O-N 3.49Å; L408-F479 HydrophobicContact CB-CD2 4.48Å; L408-F479 HydrophobicContact CB-CE2 3.93Å; L408-F479 HydrophobicContact CD2-CE2 4.31Å |
| 409 | S | 94.4 | Very high | 79.8 | Confident | 24 Ų | 24 | 53 Ų | 53 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 145.4 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 110 | F362 Y363 E475 S476 | F362-S409 WeakPolarHBondContact CA-O 3.4Å; Y363-S409 PolarHBondContact N-O 2.95Å; Y363-S409 PolarHBondContact O-N 2.96Å; S409-E475 WeakPolarHBondContact CA-O 3.32Å; S409-S476 WeakPolarHBondContact OG-CB 2.76Å |
| 410 | W | 91.2 | Very high | 77.9 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 6% | 0.057 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123.8 | 170.4 | -174 | -5.7 | 0 | 0 | 0 | 108.6 | F355 P360 F362 G412 P441 L443 I471 P473 G474 E475 | F355-W410 HydrophobicContact CD2-CH2 4.24Å; F355-W410 AromaticContact CE2-CH2 3.58Å; F355-W410 HydrophobicContact CE2-CH2 3.58Å; F355-W410 AromaticContact CE2-CZ2 3.78Å; F355-W410 HydrophobicContact CE2-CZ2 3.78Å; F355-W410 HydrophobicContact CZ-CZ2 4.47Å; P360-W410 HydrophobicContact CB-CD2 4.19Å; P360-W410 HydrophobicContact CB-CZ2 3.77Å; F362-W410 HydrophobicContact CD1-CB 4.2Å; F362-W410 HydrophobicContact CD1-CG 4.49Å; F362-W410 HydrophobicContact CE1-CB 4.11Å; F362-W410 HydrophobicContact CE1-CD2 4.43Å; F362-W410 HydrophobicContact CE1-CG 4.21Å; W410-G412 PolarHBondContact O-N 3.11Å; W410-P441 HydrophobicContact CH2-CB 3.82Å; W410-P441 HydrophobicContact CH2-CG 3.71Å; W410-P441 HydrophobicContact CZ2-CG 4.03Å; W410-L443 HydrophobicContact CE3-CD1 4.39Å; W410-L443 HydrophobicContact CH2-CD1 3.9Å; W410-L443 HydrophobicContact CH2-CG 4Å; W410-L443 HydrophobicContact CZ3-CB 4.33Å; W410-L443 HydrophobicContact CZ3-CD1 3.8Å; W410-L443 HydrophobicContact CZ3-CG 3.79Å; W410-I471 HydrophobicContact CB-CD1 3.91Å; W410-I471 HydrophobicContact CB-CG1 4.1Å; W410-I471 HydrophobicContact CE3-CG1 4.4Å; W410-I471 HydrophobicContact CE3-CG2 4.2Å; W410-I471 WeakPolarHBondContact CZ3-O 3.36Å; W410-P473 HydrophobicContact CD2-CB 4.46Å; W410-P473 HydrophobicContact CD2-CG 4.08Å; W410-P473 HydrophobicContact CE3-CG 4.33Å; W410-P473 HydrophobicContact CH2-CG 4.04Å; W410-P473 HydrophobicContact CZ2-CG 3.73Å; W410-P473 HydrophobicContact CZ3-CG 4.31Å; W410-G474 VanDerWaalsContact O-CA 3.31Å; W410-G474 WeakPolarHBondContact O-CA 3.42Å; W410-G474 PolarHBondContact O-N 3.42Å; W410-E475 PolarHBondContact N-O 2.92Å |
| 411 | E | 87.4 | Confident | 75.9 | Confident | 20 Ų | 20 | 61 Ų | 61 | 9% | 0.093 | 33% | 0.332 | C | S | . | . | trans | -47.7 | 135.7 | 173 | -164.7 | 167.7 | -120.7 | 0 | 0 | 112.4 | T361 Y363 E415 | T361-E411 WeakPolarHBondContact CB-OE2 3.38Å; T361-E411 HydrophobicContact CG2-CB 4.1Å; T361-E411 VanDerWaalsContact CG2-OE2 3.24Å; T361-E411 WeakPolarHBondContact CG2-OE2 3.48Å; T361-E411 PolarHBondContact O-N 2.9Å; T361-E411 PolarHBondContact OG1-OE2 2.85Å; Y363-E411 HydrophobicContact CE2-CB 3.9Å; Y363-E411 HydrophobicContact CE2-CG 4.13Å; Y363-E411 PolarHBondContact OH-OE1 3.25Å; E411-E415 HydrophobicContact CG-CB 4.42Å | ||
| 412 | G | 80.3 | Confident | 74.1 | Confident | 8 Ų | 8 | 65 Ų | 65 | 8% | 0.082 | 34% | 0.343 | C | S | . | . | trans | -87.3 | 163.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | W410 S414 E415 | W410-G412 PolarHBondContact O-N 3.11Å; G412-S414 PolarHBondContact O-N 2.73Å; G412-S414 VanDerWaalsContact O-N 3.11Å; G412-E415 PolarHBondContact O-N 2.82Å | ||
| 413 | D | 65.9 | Low | 72.2 | Confident | 121 Ų | 121 | 69.3 Ų | 69.3 | 65% | 0.647 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.9 | -175.5 | -61.9 | -42.5 | 0 | 0 | 0 | 114.3 | S419 | D413-S419 PolarHBondContact O-OG 2.86Š|
| 414 | S | 56.8 | Low | 70.1 | Confident | 116 Ų | 116 | 72.9 Ų | 72.9 | 81% | 0.811 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 5.8 | -172.3 | 58 | 0 | 0 | 0 | 0 | 115.8 | G412 | G412-S414 PolarHBondContact O-N 2.73Å; G412-S414 VanDerWaalsContact O-N 3.11Å |
| 415 | E | 51.5 | Low | 68.2 | Low | 136 Ų | 136 | 75.4 Ų | 75.4 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -103.2 | -4 | -166.2 | -63.4 | -170.9 | 156.1 | 0 | 0 | 115.4 | E411 G412 | E411-E415 HydrophobicContact CG-CB 4.42Å; G412-E415 PolarHBondContact O-N 2.82Å |
| 416 | S | 53.9 | Low | 66.1 | Low | 37 Ų | 37 | 77.2 Ų | 77.2 | 26% | 0.259 | 39% | 0.392 | S | S | . | . | trans | -153.3 | 146.4 | -175.4 | 179.7 | 0 | 0 | 0 | 0 | 114.8 | S418 S419 V420 | S416-S418 PolarHBondContact O-N 3.31Å; S416-S418 PolarHBondContact OG-N 2.83Å; S416-S418 PolarHBondContact OG-OG 3.48Å; S416-S419 PolarHBondContact O-N 3.21Å; S416-S419 PolarHBondContact O-OG 3.28Å; S416-V420 PolarHBondContact O-N 3.23Å | ||
| 417 | L | 50.5 | Low | 63.9 | Low | 156 Ų | 156 | 80.6 Ų | 80.6 | 82% | 0.817 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.1 | -25.2 | 170.7 | -77.5 | 165.9 | 0 | 0 | 0 | 112.7 | F421 | L417-F421 PolarHBondContact O-N 3.3Å; L417-F421 VanDerWaalsContact O-N 3.11Å |
| 418 | S | 51 | Low | 61.6 | Low | 58 Ų | 58 | 84 Ų | 84 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -73 | -33.8 | -180 | 70.5 | 0 | 0 | 0 | 0 | 113.3 | S416 F421 K422 | S416-S418 PolarHBondContact O-N 3.31Å; S416-S418 PolarHBondContact OG-N 2.83Å; S416-S418 PolarHBondContact OG-OG 3.48Å; S418-F421 PolarHBondContact O-N 3.04Å; S418-K422 WeakPolarHBondContact O-CG 3.13Å; S418-K422 PolarHBondContact O-N 2.95Å |
| 419 | S | 50.6 | Low | 59.3 | Low | 22 Ų | 22 | 94.2 Ų | 94.2 | 15% | 0.154 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -72.9 | -35.1 | 174.9 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | D413 S416 K422 Y423 | D413-S419 PolarHBondContact O-OG 2.86Å; S416-S419 PolarHBondContact O-N 3.21Å; S416-S419 PolarHBondContact O-OG 3.28Å; S419-K422 PolarHBondContact O-N 3.38Å; S419-Y423 WeakPolarHBondContact O-CB 3.47Å; S419-Y423 PolarHBondContact O-N 2.94Å |
| 420 | V | 50.7 | Low | 57 | Low | 74 Ų | 74 | 98.8 Ų | 98.8 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 171 | 179.1 | 0 | 0 | 0 | 0 | 111 | S416 Y423 I424 | S416-V420 PolarHBondContact O-N 3.23Å; V420-Y423 PolarHBondContact O-N 3.19Å; V420-I424 HydrophobicContact CG1-CD1 3.78Å; V420-I424 HydrophobicContact CG1-CG1 4.46Å; V420-I424 VanDerWaalsContact O-CG1 3.24Å; V420-I424 WeakPolarHBondContact O-CG1 3.45Å; V420-I424 PolarHBondContact O-N 3.35Å |
| 421 | F | 51.6 | Low | 54.5 | Low | 158 Ų | 158 | 108.9 Ų | 108.9 | 69% | 0.693 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.7 | -38.3 | 178.4 | -144.4 | -92.1 | 0 | 0 | 0 | 112.7 | L417 S418 I424 K425 | L417-F421 PolarHBondContact O-N 3.3Å; L417-F421 VanDerWaalsContact O-N 3.11Å; S418-F421 PolarHBondContact O-N 3.04Å; F421-I424 PolarHBondContact O-N 2.91Å; F421-K425 WeakPolarHBondContact O-CB 3.33Å; F421-K425 PolarHBondContact O-N 3.46Å |
| 422 | K | 54.7 | Low | 52.5 | Low | 107 Ų | 107 | 115.8 Ų | 115.8 | 47% | 0.465 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.4 | -42.4 | 172.2 | -77.8 | 178.9 | 177.4 | 178.6 | 0 | 111.8 | S418 S419 K425 N426 | S418-K422 WeakPolarHBondContact O-CG 3.13Å; S418-K422 PolarHBondContact O-N 2.95Å; S419-K422 PolarHBondContact O-N 3.38Å; K422-K425 PolarHBondContact O-N 2.93Å; K422-N426 PolarHBondContact O-N 2.86Å; K422-N426 VanDerWaalsContact O-N 3.07Å |
| 423 | Y | 51.6 | Low | 50.7 | Low | 171 Ų | 171 | 118.6 Ų | 118.6 | 67% | 0.671 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65 | -45.1 | 176.8 | -175.2 | -93.2 | 0 | 0 | 0 | 112 | S419 V420 K425 N426 S427 | S419-Y423 WeakPolarHBondContact O-CB 3.47Å; S419-Y423 PolarHBondContact O-N 2.94Å; V420-Y423 PolarHBondContact O-N 3.19Å; Y423-K425 PolarHBondContact O-N 2.95Å; Y423-N426 PolarHBondContact O-N 3.5Å; Y423-S427 WeakPolarHBondContact O-CB 3.38Å; Y423-S427 PolarHBondContact O-N 3.23Å |
| 424 | I | 51.2 | Low | 50 | Low | 78 Ų | 78 | 123.7 Ų | 123.7 | 40% | 0.4 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.2 | -42.4 | 177.2 | -69 | 166.5 | 0 | 0 | 0 | 111.1 | V420 F421 S427 F428 | V420-I424 HydrophobicContact CG1-CD1 3.78Å; V420-I424 HydrophobicContact CG1-CG1 4.46Å; V420-I424 VanDerWaalsContact O-CG1 3.24Å; V420-I424 WeakPolarHBondContact O-CG1 3.45Å; V420-I424 PolarHBondContact O-N 3.35Å; F421-I424 PolarHBondContact O-N 2.91Å; I424-S427 PolarHBondContact O-N 3.16Å; I424-F428 HydrophobicContact CG2-CD2 4.1Å; I424-F428 HydrophobicContact CG2-CE2 4.46Å; I424-F428 PolarHBondContact O-N 3.49Å |
| 425 | K | 52.3 | Low | 49.4 | Very low | 136 Ų | 136 | 122 Ų | 122 | 59% | 0.591 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.8 | -49.1 | 176.2 | -167.6 | 176.8 | -178.8 | -179.8 | 0 | 110.9 | F421 K422 Y423 S427 F428 W429 | F421-K425 WeakPolarHBondContact O-CB 3.33Å; F421-K425 PolarHBondContact O-N 3.46Å; K422-K425 PolarHBondContact O-N 2.93Å; Y423-K425 PolarHBondContact O-N 2.95Å; K425-S427 VanDerWaalsContact C-N 3.26Å; K425-S427 PolarHBondContact O-N 2.72Å; K425-F428 PolarHBondContact O-N 2.93Å; K425-W429 VanDerWaalsContact O-CD1 3.25Å |
| 426 | N | 52.7 | Low | 49.3 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 49% | 0.487 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.9 | -30.9 | 176.5 | -81.9 | -1.6 | 0 | 0 | 0 | 113.1 | K422 Y423 | K422-N426 PolarHBondContact O-N 2.86Å; K422-N426 VanDerWaalsContact O-N 3.07Å; Y423-N426 PolarHBondContact O-N 3.5Å |
| 427 | S | 50.3 | Low | 49 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 49% | 0.49 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -74.7 | -27.7 | 177.6 | -153 | 0 | 0 | 0 | 0 | 113.2 | Y423 I424 K425 | Y423-S427 WeakPolarHBondContact O-CB 3.38Å; Y423-S427 PolarHBondContact O-N 3.23Å; I424-S427 PolarHBondContact O-N 3.16Å; K425-S427 VanDerWaalsContact C-N 3.26Å; K425-S427 PolarHBondContact O-N 2.72Å |
| 428 | F | 48.3 | Very low | 49.3 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 72% | 0.724 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.2 | -29.8 | 177.9 | -113.2 | -90.4 | 0 | 0 | 0 | 113.6 | I424 K425 | I424-F428 HydrophobicContact CG2-CD2 4.1Å; I424-F428 HydrophobicContact CG2-CE2 4.46Å; I424-F428 PolarHBondContact O-N 3.49Å; K425-F428 PolarHBondContact O-N 2.93Å |
| 429 | W | 47.7 | Very low | 50 | Low | 215 Ų | 215 | 127.1 Ų | 127.1 | 81% | 0.814 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -84.4 | -9.8 | 178.2 | -71.9 | 91.7 | 0 | 0 | 0 | 113.9 | K425 | K425-W429 VanDerWaalsContact O-CD1 3.25Š|
| 430 | N | 46 | Very low | 50.9 | Low | 121 Ų | 121 | 132.7 Ų | 132.7 | 65% | 0.647 | 67% | 0.669 | S | S | * | * | trans | -113.8 | 37.5 | -173.7 | -100.3 | 0.3 | 0 | 0 | 0 | 113.4 | N432 | N430-N432 PolarHBondContact O-N 2.9Š| ||
| 431 | W | 40.3 | Very low | 52.4 | Low | 226 Ų | 226 | 130.5 Ų | 130.5 | 86% | 0.856 | 66% | 0.657 | S | S | * | * | trans | -77.4 | 24 | -177.7 | -156 | -1.4 | 0 | 0 | 0 | 115 | ||||
| 432 | N | 44.7 | Very low | 54 | Low | 166 Ų | 166 | 123.6 Ų | 123.6 | 89% | 0.888 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -151.9 | 67.7 | 168.2 | -88.9 | -37.4 | 0 | 0 | 0 | 111.3 | N430 | N430-N432 PolarHBondContact O-N 2.9Š|
| 433 | A | 43.6 | Very low | 55.6 | Low | 66 Ų | 66 | 118.5 Ų | 118.5 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | trans | -153.6 | 121.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A435 | A433-A435 HydrophobicContact CB-CB 4.04Å; A433-A435 PolarHBondContact O-N 3.07Å | ||
| 434 | K | 49.2 | Very low | 57.5 | Low | 228 Ų | 228 | 110.7 Ų | 110.7 | 99% | 0.991 | 58% | 0.575 | S | S | * | * | trans | -65.2 | 84.6 | 155.7 | -75.1 | 179.8 | 177.1 | 176.9 | 0 | 107 | ||||
| 435 | A | 44.1 | Very low | 59.4 | Low | 80 Ų | 80 | 107 Ų | 107 | 66% | 0.661 | 56% | 0.556 | S | S | * | * | trans | -109.4 | 131.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A433 | A433-A435 HydrophobicContact CB-CB 4.04Å; A433-A435 PolarHBondContact O-N 3.07Å | ||
| 436 | A | 50.2 | Low | 61.2 | Low | 90 Ų | 90 | 106.3 Ų | 106.3 | 74% | 0.744 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -49.7 | 154 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P438 | A436-P438 VanDerWaalsContact O-N 3.11Š|
| 437 | K | 48.7 | Very low | 63.1 | Low | 206 Ų | 206 | 107 Ų | 107 | 90% | 0.896 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -46.4 | 122.6 | 173.5 | -77.6 | -176.9 | 177.6 | 179.8 | 0 | 109 | A439 | K437-A439 PolarHBondContact O-N 3.39Š|
| 438 | P | 56.9 | Low | 65.3 | Low | 116 Ų | 116 | 103.6 Ų | 103.6 | 75% | 0.753 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 134.6 | -179.6 | 22 | -30.6 | 0 | 0 | 0 | 109.1 | A436 K440 | A436-P438 VanDerWaalsContact O-N 3.11Å; P438-K440 PolarHBondContact O-N 2.87Å |
| 439 | A | 64.2 | Low | 67.5 | Low | 83 Ų | 83 | 102.6 Ų | 102.6 | 69% | 0.686 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 136.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | K437 | K437-A439 PolarHBondContact O-N 3.39Š|
| 440 | K | 70.9 | Confident | 69.8 | Low | 140 Ų | 140 | 92.6 Ų | 92.6 | 61% | 0.609 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 130.4 | 177.1 | -73.7 | -169.9 | 175.9 | -169 | 0 | 109 | P438 | P438-K440 PolarHBondContact O-N 2.87Š|
| 441 | P | 80.8 | Confident | 72.2 | Confident | 28 Ų | 28 | 87.9 Ų | 87.9 | 18% | 0.182 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 138.9 | 178.1 | 24.8 | -31.6 | 0 | 0 | 0 | 110.3 | F355 W410 P473 | F355-P441 HydrophobicContact CD2-CB 3.48Å; F355-P441 VanDerWaalsContact CD2-CB 3.48Å; F355-P441 HydrophobicContact CD2-CG 4.47Å; F355-P441 HydrophobicContact CE2-CB 3.93Å; W410-P441 HydrophobicContact CH2-CB 3.82Å; W410-P441 HydrophobicContact CH2-CG 3.71Å; W410-P441 HydrophobicContact CZ2-CG 4.03Å; P441-P473 HydrophobicContact CG-CG 3.81Å; P441-P473 WeakPolarHBondContact O-CD 3.33Å |
| 442 | V | 85.9 | Confident | 74.8 | Confident | 13 Ų | 13 | 77.3 Ų | 77.3 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 123.6 | 179.3 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | K353 E470 | K353-V442 HydrophobicContact CB-CB 4.28Å; K353-V442 HydrophobicContact CB-CG2 4.48Å; K353-V442 HydrophobicContact CD-CB 4.5Å; K353-V442 HydrophobicContact CD-CG2 4.22Å; V442-E470 HydrophobicContact CG1-CB 3.79Å; V442-E470 HydrophobicContact CG1-CG 4.07Å |
| 443 | L | 88.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 145.9 | 174.9 | -61 | 178.1 | 0 | 0 | 0 | 109.6 | V349 F355 P360 F362 L386 W410 E470 I471 | V349-L443 HydrophobicContact CG1-CB 4.17Å; V349-L443 HydrophobicContact CG1-CD1 4.02Å; V349-L443 HydrophobicContact CG1-CD2 3.89Å; V349-L443 HydrophobicContact CG1-CG 4.25Å; F355-L443 HydrophobicContact CB-CD2 4.41Å; F355-L443 HydrophobicContact CD1-CD2 4.36Å; F355-L443 HydrophobicContact CD2-CD2 3.97Å; F355-L443 HydrophobicContact CD2-CG 4.44Å; F355-L443 HydrophobicContact CE2-CD1 4.28Å; F355-L443 HydrophobicContact CE2-CD2 4.25Å; F355-L443 HydrophobicContact CE2-CG 4.4Å; F355-L443 HydrophobicContact CG-CD2 4.01Å; F355-L443 HydrophobicContact CZ-CD1 4.34Å; P360-L443 HydrophobicContact CB-CD1 4.34Å; P360-L443 HydrophobicContact CG-CD1 4.12Å; F362-L443 HydrophobicContact CZ-CD1 3.95Å; L386-L443 HydrophobicContact CD2-CD2 3.82Å; W410-L443 HydrophobicContact CE3-CD1 4.39Å; W410-L443 HydrophobicContact CH2-CD1 3.9Å; W410-L443 HydrophobicContact CH2-CG 4Å; W410-L443 HydrophobicContact CZ3-CB 4.33Å; W410-L443 HydrophobicContact CZ3-CD1 3.8Å; W410-L443 HydrophobicContact CZ3-CG 3.79Å; L443-E470 CarbonylContact O-C 3.59Å; L443-E470 VanDerWaalsContact O-CA 3.28Å; L443-E470 WeakPolarHBondContact O-CA 3.43Å; L443-I471 HydrophobicContact CB-CG2 4.04Å; L443-I471 PolarHBondContact N-O 2.95Å; L443-I471 PolarHBondContact O-N 2.58Å |
| 444 | E | 90.9 | Very high | 79.5 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 3% | 0.033 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.9 | 173.8 | 175.3 | -173.5 | -176.2 | 0 | 0 | 110.6 | F350 R352 R446 T469 E470 | F350-E444 HydrophobicContact CB-CB 4.08Å; F350-E444 HydrophobicContact CD2-CG 4.38Å; F350-E444 WeakPolarHBondContact CD2-O 3.42Å; F350-E444 PolarHBondContact N-O 2.8Å; F350-E444 PolarHBondContact O-N 3.27Å; R352-E444 HydrophobicContact CG-CB 3.96Å; R352-E444 IonicContact CZ-OE2 3.51Å; R352-E444 VanDerWaalsContact CZ-OE2 3.26Å; R352-E444 IonicContact NE-OE2 3.94Å; R352-E444 PolarHBondContact NE-OE2 3.36Å; R352-E444 IonicContact NH2-OE1 2.69Å; R352-E444 IonicContact NH2-OE2 3.62Å; R352-E444 PolarHBondContact NH2-OE2 3.03Å; E444-R446 HydrophobicContact CG-CG 4.3Å; E444-R446 IonicContact OE1-CZ 2.98Å; E444-R446 IonicContact OE1-NE 2.85Å; E444-R446 PolarHBondContact OE1-NE 3.31Å; E444-R446 IonicContact OE1-NH2 2.74Å; E444-R446 PolarHBondContact OE1-NH2 3.42Å; E444-R446 IonicContact OE2-NH2 3.83Å; E444-R446 PolarHBondContact OE2-NH2 3Å; E444-T469 CarbonylContact C-O 3.51Å; E444-T469 VanDerWaalsContact CA-O 3.31Å; E444-T469 WeakPolarHBondContact CA-O 3.21Å; E444-T469 PolarHBondContact OE1-OG1 3.42Å; E444-E470 HydrophobicContact CB-CG 4.26Å |
| 445 | I | 92 | Very high | 81.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -132.3 | 109.6 | 179.1 | -56.8 | 165.2 | 0 | 0 | 0 | 108.6 | M347 V349 F362 L408 I448 T469 I471 F479 | M347-I445 HydrophobicContact CB-CG2 4.08Å; M347-I445 HydrophobicContact SD-CD1 3.61Å; M347-I445 HydrophobicContact SD-CG1 4.3Å; M347-I445 HydrophobicContact SD-CG2 4.28Å; V349-I445 HydrophobicContact CG2-CD1 4.44Å; V349-I445 HydrophobicContact CG2-CG1 4.24Å; F362-I445 HydrophobicContact CZ-CD1 4.26Å; L408-I445 HydrophobicContact CD2-CD1 3.42Å; L408-I445 VanDerWaalsContact CD2-CD1 3.42Å; I445-I448 HydrophobicContact CG2-CG1 4.48Å; I445-T469 PolarHBondContact N-O 3.48Å; I445-I471 HydrophobicContact CD1-CG2 4.1Å; I445-F479 HydrophobicContact CB-CZ 4.18Å; I445-F479 HydrophobicContact CG2-CE1 4.09Å; I445-F479 HydrophobicContact CG2-CZ 3.7Å; I445-F479 WeakPolarHBondContact O-CE1 3.44Å | ||
| 446 | R | 90.4 | Very high | 83.9 | Confident | 122 Ų | 122 | 59.6 Ų | 59.6 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | trans | -88.8 | -35.1 | -175.6 | -60.6 | -178.2 | -179.1 | 165.5 | 6.8 | 113.5 | F350 E444 A463 T469 | F350-R446 HydrophobicContact CE2-CG 4.22Å; E444-R446 HydrophobicContact CG-CG 4.3Å; E444-R446 IonicContact OE1-CZ 2.98Å; E444-R446 IonicContact OE1-NE 2.85Å; E444-R446 PolarHBondContact OE1-NE 3.31Å; E444-R446 IonicContact OE1-NH2 2.74Å; E444-R446 PolarHBondContact OE1-NH2 3.42Å; E444-R446 IonicContact OE2-NH2 3.83Å; E444-R446 PolarHBondContact OE2-NH2 3Å; R446-A463 PolarHBondContact O-N 2.85Å; R446-T469 HydrophobicContact CG-CG2 4.26Å | ||
| 447 | R | 92.4 | Very high | 86 | Confident | 104 Ų | 104 | 59.2 Ų | 59.2 | 39% | 0.392 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 141.8 | -166.8 | 178.4 | 179.7 | 150.8 | 177.8 | 2.4 | 111.7 | F461 | R447-F461 CarbonylContact C-O 3.31Å; R447-F461 VanDerWaalsContact CA-O 3.24Å; R447-F461 WeakPolarHBondContact CA-O 3.42Å; R447-F461 WeakPolarHBondContact CG-O 3.45Å |
| 448 | I | 95.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.1 | 172.4 | -55.9 | 179.5 | 0 | 0 | 0 | 108.5 | M345 K346 M347 I406 I445 V450 F461 F479 | M345-I448 HydrophobicContact CB-CG2 4.34Å; M345-I448 HydrophobicContact SD-CG2 4.36Å; K346-I448 CarbonylContact O-C 3.58Å; K346-I448 WeakPolarHBondContact O-CA 3.42Å; M347-I448 HydrophobicContact CB-CG1 4.21Å; I406-I448 HydrophobicContact CD1-CG2 4.27Å; I406-I448 HydrophobicContact CG2-CD1 4.23Å; I445-I448 HydrophobicContact CG2-CG1 4.48Å; I448-V450 HydrophobicContact CG2-CG2 3.93Å; I448-F461 PolarHBondContact N-O 3.23Å; I448-F461 PolarHBondContact O-N 3.04Å; I448-F479 HydrophobicContact CD1-CD1 4.3Å; I448-F479 HydrophobicContact CD1-CD2 3.57Å; I448-F479 HydrophobicContact CD1-CE1 4.38Å; I448-F479 HydrophobicContact CD1-CE2 3.66Å; I448-F479 HydrophobicContact CD1-CG 3.93Å; I448-F479 HydrophobicContact CD1-CZ 4.08Å; I448-F479 HydrophobicContact CG1-CD1 4.13Å; I448-F479 HydrophobicContact CG1-CD2 4.29Å; I448-F479 HydrophobicContact CG1-CE1 4.15Å; I448-F479 HydrophobicContact CG1-CE2 4.3Å; I448-F479 HydrophobicContact CG1-CG 4.22Å; I448-F479 HydrophobicContact CG1-CZ 4.24Å |
| 449 | R | 95.9 | Very high | 89.8 | Confident | 144 Ų | 144 | 51.5 Ų | 51.5 | 54% | 0.543 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.8 | 170.7 | -59 | 178.1 | -174.6 | -170.1 | -5.1 | 108.4 | M345 K346 F459 | M345-R449 CarbonylContact C-O 3.36Å; M345-R449 WeakPolarHBondContact CA-O 3.42Å; K346-R449 HydrophobicContact CB-CB 4.31Å; K346-R449 PolarHBondContact N-O 3.34Å; K346-R449 PolarHBondContact O-N 3Å; R449-F459 WeakPolarHBondContact CA-O 3.46Å |
| 450 | V | 95.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.7 | -178.9 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | Y343 Q344 M345 L403 I406 I448 K458 F459 F461 | Y343-V450 HydrophobicContact CD1-CG1 3.84Å; Y343-V450 HydrophobicContact CG-CG1 4.48Å; Q344-V450 CarbonylContact O-C 3.55Å; Q344-V450 VanDerWaalsContact O-CA 3.24Å; Q344-V450 WeakPolarHBondContact O-CA 3.46Å; M345-V450 HydrophobicContact CE-CG2 4.25Å; M345-V450 HydrophobicContact CG-CG2 4.11Å; M345-V450 HydrophobicContact SD-CG2 4.43Å; L403-V450 HydrophobicContact CD2-CB 4.48Å; L403-V450 HydrophobicContact CD2-CG1 4.05Å; L403-V450 HydrophobicContact CD2-CG2 4.38Å; I406-V450 HydrophobicContact CD1-CG2 3.64Å; I448-V450 HydrophobicContact CG2-CG2 3.93Å; V450-K458 CarbonylContact O-C 3.58Å; V450-K458 WeakPolarHBondContact O-CA 3.47Å; V450-F459 HydrophobicContact CB-CB 4.41Å; V450-F459 HydrophobicContact CB-CD2 4.42Å; V450-F459 HydrophobicContact CG1-CD2 4.48Å; V450-F459 PolarHBondContact N-O 2.8Å; V450-F459 PolarHBondContact O-N 2.98Å; V450-F461 HydrophobicContact CB-CD2 4.47Å; V450-F461 HydrophobicContact CB-CE2 4.25Å; V450-F461 HydrophobicContact CG2-CD2 3.89Å; V450-F461 HydrophobicContact CG2-CE2 4.01Å |
| 451 | K | 95.8 | Very high | 92.4 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 10% | 0.096 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.4 | 164.5 | 177.2 | -172.1 | 173.7 | -170.6 | 0 | 108.4 | L303 S304 Y343 Q344 K457 K458 | L303-K451 WeakPolarHBondContact O-CE 3.34Å; L303-K451 PolarHBondContact O-NZ 3.34Å; S304-K451 VanDerWaalsContact CA-NZ 3.34Å; Y343-K451 WeakPolarHBondContact CA-O 3.44Å; Q344-K451 HydrophobicContact CB-CB 4.23Å; Q344-K451 PolarHBondContact N-O 2.98Å; Q344-K451 PolarHBondContact O-N 2.84Å; K451-K457 WeakPolarHBondContact CA-O 3.41Å; K451-K458 HydrophobicContact CB-CG 4.15Å; K451-K458 HydrophobicContact CG-CG 4.03Å |
| 452 | A | 95.3 | Very high | 93 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 131.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y343 S455 Q456 K457 F459 | Y343-A452 HydrophobicContact CD1-CB 3.93Å; Y343-A452 HydrophobicContact CE1-CB 3.73Å; A452-S455 VanDerWaalsContact CB-OG 3.27Å; A452-S455 WeakPolarHBondContact CB-OG 3.35Å; A452-Q456 CarbonylContact O-C 3.53Å; A452-Q456 WeakPolarHBondContact O-CA 3.3Å; A452-Q456 PolarHBondContact O-N 2.76Å; A452-Q456 VanDerWaalsContact O-N 3.15Å; A452-K457 PolarHBondContact N-O 3.11Å; A452-F459 HydrophobicContact CB-CE2 4.32Å |
| 453 | G | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -70.3 | -54.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y289 H342 S455 Q456 | Y289-G453 WeakPolarHBondContact OH-CA 3.41Å; H342-G453 PolarHBondContact O-N 3.49Å; G453-S455 PolarHBondContact O-N 2.84Å; G453-Q456 PolarHBondContact O-N 3.48Å; G453-Q456 PolarHBondContact O-NE2 2.72Å |
| 454 | E | 92.4 | Very high | 93.6 | Very high | 46 Ų | 46 | 48.2 Ų | 48.2 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -45.4 | -170.3 | -67.4 | 62.2 | -132 | 0 | 0 | 110.9 | Y287 Y289 Y341 H342 | Y287-E454 HydrophobicContact CD2-CG 4.17Å; Y289-E454 PolarHBondContact OH-N 2.89Å; Y289-E454 PolarHBondContact OH-OE1 2.79Å; Y341-E454 WeakPolarHBondContact CA-OE2 3.19Å; Y341-E454 HydrophobicContact CD1-CB 4.34Å; Y341-E454 HydrophobicContact CD1-CG 4.02Å; H342-E454 IonicContact CE1-OE1 3.97Å; H342-E454 IonicContact CG-OE1 3.43Å; H342-E454 PolarHBondContact N-OE1 2.84Å; H342-E454 PolarHBondContact N-OE2 3.43Å; H342-E454 IonicContact ND1-OE1 3.77Å; H342-E454 PolarHBondContact ND1-OE1 3.24Å |
| 455 | S | 92.3 | Very high | 93.5 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 44% | 0.441 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -7.9 | 178.1 | 66.7 | 0 | 0 | 0 | 0 | 114.4 | A452 G453 K457 | A452-S455 VanDerWaalsContact CB-OG 3.27Å; A452-S455 WeakPolarHBondContact CB-OG 3.35Å; G453-S455 PolarHBondContact O-N 2.84Å; S455-K457 PolarHBondContact O-N 2.87Å |
| 456 | Q | 93.8 | Very high | 93.2 | Very high | 59 Ų | 59 | 56 Ų | 56 | 28% | 0.276 | 27% | 0.272 | S | S | . | . | trans | 52.8 | 12.1 | -171.5 | -65.4 | -69.4 | -62.2 | 0 | 0 | 115 | L303 C305 A452 G453 | L303-Q456 PolarHBondContact O-NE2 2.98Å; C305-Q456 HydrophobicContact CB-CG 4.05Å; C305-Q456 VanDerWaalsContact N-OE1 3.13Å; A452-Q456 CarbonylContact O-C 3.53Å; A452-Q456 WeakPolarHBondContact O-CA 3.3Å; A452-Q456 PolarHBondContact O-N 2.76Å; A452-Q456 VanDerWaalsContact O-N 3.15Å; G453-Q456 PolarHBondContact O-N 3.48Å; G453-Q456 PolarHBondContact O-NE2 2.72Å | ||
| 457 | K | 92.9 | Very high | 93 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | trans | -72.8 | 151.4 | 178.7 | -66.5 | 179.3 | -174.3 | 178.3 | 0 | 111 | D402 K451 A452 S455 F459 | D402-K457 IonicContact OD1-NZ 2.76Å; D402-K457 PolarHBondContact OD1-NZ 3.45Å; K451-K457 WeakPolarHBondContact CA-O 3.41Å; A452-K457 PolarHBondContact N-O 3.11Å; S455-K457 PolarHBondContact O-N 2.87Å; K457-F459 HydrophobicContact CB-CE1 4.2Å; K457-F459 HydrophobicContact CB-CE2 3.6Å; K457-F459 HydrophobicContact CB-CZ 3.4Å; K457-F459 HydrophobicContact CD-CE1 4.31Å; K457-F459 HydrophobicContact CD-CZ 3.7Å; K457-F459 HydrophobicContact CG-CZ 4.19Å | ||
| 458 | K | 93.8 | Very high | 92.8 | Very high | 141 Ų | 141 | 56.5 Ų | 56.5 | 61% | 0.613 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 139.6 | 176.3 | -69.3 | -179.9 | 175.1 | 179.5 | 0 | 110.1 | V450 K451 | V450-K458 CarbonylContact O-C 3.58Å; V450-K458 WeakPolarHBondContact O-CA 3.47Å; K451-K458 HydrophobicContact CB-CG 4.15Å; K451-K458 HydrophobicContact CG-CG 4.03Å |
| 459 | F | 91.8 | Very high | 92.6 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.6 | -174.6 | -49.1 | -83.7 | 0 | 0 | 0 | 110.8 | R449 V450 A452 K457 F461 W486 | R449-F459 WeakPolarHBondContact CA-O 3.46Å; V450-F459 HydrophobicContact CB-CB 4.41Å; V450-F459 HydrophobicContact CB-CD2 4.42Å; V450-F459 HydrophobicContact CG1-CD2 4.48Å; V450-F459 PolarHBondContact N-O 2.8Å; V450-F459 PolarHBondContact O-N 2.98Å; A452-F459 HydrophobicContact CB-CE2 4.32Å; K457-F459 HydrophobicContact CB-CE1 4.2Å; K457-F459 HydrophobicContact CB-CE2 3.6Å; K457-F459 HydrophobicContact CB-CZ 3.4Å; K457-F459 HydrophobicContact CD-CE1 4.31Å; K457-F459 HydrophobicContact CD-CZ 3.7Å; K457-F459 HydrophobicContact CG-CZ 4.19Å; F459-F461 HydrophobicContact CB-CD2 4.08Å; F459-F461 HydrophobicContact CB-CE2 3.43Å; F459-F461 VanDerWaalsContact CB-CE2 3.43Å; F459-F461 HydrophobicContact CB-CZ 4.16Å; F459-F461 HydrophobicContact CG-CE2 4.14Å; F459-W486 HydrophobicContact CD1-CH2 4.14Å; F459-W486 AromaticContact CD1-CZ2 3.63Å; F459-W486 HydrophobicContact CD1-CZ2 3.63Å; F459-W486 AromaticContact CE1-CH2 3.72Å; F459-W486 HydrophobicContact CE1-CH2 3.72Å; F459-W486 AromaticContact CE1-CZ2 3.54Å; F459-W486 HydrophobicContact CE1-CZ2 3.54Å |
| 460 | A | 94.5 | Very high | 92.4 | Very high | 29 Ų | 29 | 54.3 Ų | 54.3 | 24% | 0.24 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | C482 | A460-C482 VanDerWaalsContact C-SG 3.51Å; A460-C482 PolarHBondContact O-N 3.46Å; A460-C482 PolarHBondContact O-SG 3.02Å; A460-C482 VanDerWaalsContact O-SG 3.37Å |
| 461 | F | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130 | 177.5 | -66.6 | -96.6 | 0 | 0 | 0 | 109.3 | L403 L404 I406 R447 I448 V450 F459 F479 V480 K481 | L403-F461 HydrophobicContact CB-CZ 4.23Å; L403-F461 HydrophobicContact CD2-CE2 3.63Å; L403-F461 HydrophobicContact CD2-CZ 3.62Å; L403-F461 HydrophobicContact CG-CE1 4.27Å; L403-F461 HydrophobicContact CG-CE2 4.14Å; L403-F461 HydrophobicContact CG-CZ 3.57Å; L404-F461 WeakPolarHBondContact O-CE1 3.28Å; I406-F461 HydrophobicContact CD1-CB 4.19Å; I406-F461 HydrophobicContact CD1-CD1 4.21Å; I406-F461 HydrophobicContact CD1-CD2 3.59Å; I406-F461 HydrophobicContact CD1-CE2 3.97Å; I406-F461 HydrophobicContact CD1-CG 3.74Å; I406-F461 HydrophobicContact CD1-CZ 4.48Å; I406-F461 HydrophobicContact CG1-CD1 4.24Å; I406-F461 HydrophobicContact CG1-CD2 4.43Å; I406-F461 HydrophobicContact CG1-CE1 4.46Å; I406-F461 HydrophobicContact CG1-CG 4.26Å; R447-F461 CarbonylContact C-O 3.31Å; R447-F461 VanDerWaalsContact CA-O 3.24Å; R447-F461 WeakPolarHBondContact CA-O 3.42Å; R447-F461 WeakPolarHBondContact CG-O 3.45Å; I448-F461 PolarHBondContact N-O 3.23Å; I448-F461 PolarHBondContact O-N 3.04Å; V450-F461 HydrophobicContact CB-CD2 4.47Å; V450-F461 HydrophobicContact CB-CE2 4.25Å; V450-F461 HydrophobicContact CG2-CD2 3.89Å; V450-F461 HydrophobicContact CG2-CE2 4.01Å; F459-F461 HydrophobicContact CB-CD2 4.08Å; F459-F461 HydrophobicContact CB-CE2 3.43Å; F459-F461 VanDerWaalsContact CB-CE2 3.43Å; F459-F461 HydrophobicContact CB-CZ 4.16Å; F459-F461 HydrophobicContact CG-CE2 4.14Å; F461-F479 HydrophobicContact CB-CB 3.74Å; F461-V480 CarbonylContact C-O 3.57Å; F461-V480 WeakPolarHBondContact CA-O 3.35Å; F461-V480 VanDerWaalsContact CD1-C 3.47Å; F461-K481 HydrophobicContact CD1-CG 4.26Å; F461-K481 HydrophobicContact CE1-CG 3.68Å; F461-K481 HydrophobicContact CZ-CG 4.1Å |
| 462 | C | 94.6 | Very high | 91.8 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 28% | 0.277 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 151.1 | -178.5 | -70.2 | 0 | 0 | 0 | 0 | 108.7 | Q464 F479 V480 C482 | C462-Q464 PolarHBondContact O-N 2.8Å; C462-F479 CarbonylContact O-C 3.42Å; C462-F479 WeakPolarHBondContact O-CA 3.31Å; C462-V480 PolarHBondContact N-O 3.39Å; C462-V480 PolarHBondContact O-N 3.48Å; C462-C482 HydrophobicContact CB-CB 4.05Å; C462-C482 WeakPolarHBondContact CB-SG 3.31Å; C462-C482 PolarHBondContact N-SG 3.22Å; C462-C482 WeakPolarHBondContact SG-CB 3.24Å; C462-C482 CovalentContact SG-SG 2.05Å; C462-C482 PolarHBondContact SG-SG 2.93Å |
| 463 | A | 93.8 | Very high | 91.5 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 132 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | R446 D465 T469 I477 F479 | R446-A463 PolarHBondContact O-N 2.85Å; A463-D465 PolarHBondContact O-N 3.19Å; A463-T469 HydrophobicContact CB-CG2 3.87Å; A463-I477 HydrophobicContact CB-CG2 4.35Å; A463-F479 HydrophobicContact CB-CD1 4.4Å; A463-F479 HydrophobicContact CB-CE1 4.29Å |
| 464 | Q | 92.4 | Very high | 91.2 | Very high | 113 Ų | 113 | 56.9 Ų | 56.9 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -60.9 | -38.2 | -177.8 | -179.2 | 177.3 | -4.5 | 0 | 0 | 111.4 | C462 T478 V480 | C462-Q464 PolarHBondContact O-N 2.8Å; Q464-T478 HydrophobicContact CB-CG2 4Å; Q464-T478 PolarHBondContact N-O 2.89Å; Q464-V480 HydrophobicContact CB-CG1 4.17Å; Q464-V480 HydrophobicContact CB-CG2 4.29Å; Q464-V480 HydrophobicContact CG-CG1 4.2Å; Q464-V480 HydrophobicContact CG-CG2 4.49Å |
| 465 | D | 90 | Very high | 91.2 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 33% | 0.326 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -109.3 | 110.8 | 170.5 | -179.7 | -9.8 | 0 | 0 | 0 | 108 | A463 S467 K468 | A463-D465 PolarHBondContact O-N 3.19Å; D465-S467 VanDerWaalsContact CG-OG 3.22Å; D465-S467 PolarHBondContact O-N 3.48Å; D465-S467 VanDerWaalsContact O-N 3.11Å; D465-S467 WeakPolarHBondContact OD1-CB 3.31Å; D465-S467 PolarHBondContact OD1-N 3.32Å; D465-S467 PolarHBondContact OD1-OG 3.04Å; D465-S467 PolarHBondContact OD2-OG 3.46Å; D465-K468 HydrophobicContact CB-CB 4.11Å; D465-K468 HydrophobicContact CB-CD 4.29Å; D465-K468 HydrophobicContact CB-CG 4.26Å; D465-K468 PolarHBondContact O-N 3.11Å; D465-K468 VanDerWaalsContact OD2-CD 3.32Å; D465-K468 WeakPolarHBondContact OD2-CD 3.14Å; D465-K468 VanDerWaalsContact OD2-CE 3.3Å; D465-K468 WeakPolarHBondContact OD2-CE 3.44Å; D465-K468 WeakPolarHBondContact OD2-CG 3.24Å |
| 466 | P | 85.1 | Confident | 91.3 | Very high | 110 Ų | 110 | 58.9 Ų | 58.9 | 71% | 0.714 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19.6 | -179.9 | -24.4 | 34.3 | 0 | 0 | 0 | 114.3 | ||
| 467 | S | 85.9 | Confident | 91.4 | Very high | 95 Ų | 95 | 56.5 Ų | 56.5 | 66% | 0.664 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.3 | 175.5 | 72.6 | 0 | 0 | 0 | 0 | 113.2 | D465 | D465-S467 VanDerWaalsContact CG-OG 3.22Å; D465-S467 PolarHBondContact O-N 3.48Å; D465-S467 VanDerWaalsContact O-N 3.11Å; D465-S467 WeakPolarHBondContact OD1-CB 3.31Å; D465-S467 PolarHBondContact OD1-N 3.32Å; D465-S467 PolarHBondContact OD1-OG 3.04Å; D465-S467 PolarHBondContact OD2-OG 3.46Å |
| 468 | K | 88.7 | Confident | 91.6 | Very high | 141 Ų | 141 | 53.7 Ų | 53.7 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | trans | -112.5 | 71.9 | -178.1 | -63.6 | -177.5 | -175 | 179.8 | 0 | 111.2 | D465 | D465-K468 HydrophobicContact CB-CB 4.11Å; D465-K468 HydrophobicContact CB-CD 4.29Å; D465-K468 HydrophobicContact CB-CG 4.26Å; D465-K468 PolarHBondContact O-N 3.11Å; D465-K468 VanDerWaalsContact OD2-CD 3.32Å; D465-K468 WeakPolarHBondContact OD2-CD 3.14Å; D465-K468 VanDerWaalsContact OD2-CE 3.3Å; D465-K468 WeakPolarHBondContact OD2-CE 3.44Å; D465-K468 WeakPolarHBondContact OD2-CG 3.24Å | ||
| 469 | T | 90.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 47 Ų | 47 | 13% | 0.129 | 28% | 0.277 | C | S | . | . | trans | -106 | -5.8 | 175 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | E444 I445 R446 A463 I477 | E444-T469 CarbonylContact C-O 3.51Å; E444-T469 VanDerWaalsContact CA-O 3.31Å; E444-T469 WeakPolarHBondContact CA-O 3.21Å; E444-T469 PolarHBondContact OE1-OG1 3.42Å; I445-T469 PolarHBondContact N-O 3.48Å; R446-T469 HydrophobicContact CG-CG2 4.26Å; A463-T469 HydrophobicContact CB-CG2 3.87Å; T469-I477 WeakPolarHBondContact O-CD1 3.23Å | ||
| 470 | E | 91.4 | Very high | 91.9 | Very high | 78 Ų | 78 | 48.3 Ų | 48.3 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 141 | 177.3 | -65.9 | -175.7 | 176.8 | 0 | 0 | 110.6 | R352 V442 L443 E444 | R352-E470 IonicContact NE-OE1 3.65Å; V442-E470 HydrophobicContact CG1-CB 3.79Å; V442-E470 HydrophobicContact CG1-CG 4.07Å; L443-E470 CarbonylContact O-C 3.59Å; L443-E470 VanDerWaalsContact O-CA 3.28Å; L443-E470 WeakPolarHBondContact O-CA 3.43Å; E444-E470 HydrophobicContact CB-CG 4.26Å |
| 471 | I | 90.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.6 | 177.2 | -167.7 | 169.6 | 0 | 0 | 0 | 109.9 | W410 L443 I445 E475 I477 | W410-I471 HydrophobicContact CB-CD1 3.91Å; W410-I471 HydrophobicContact CB-CG1 4.1Å; W410-I471 HydrophobicContact CE3-CG1 4.4Å; W410-I471 HydrophobicContact CE3-CG2 4.2Å; W410-I471 WeakPolarHBondContact CZ3-O 3.36Å; L443-I471 HydrophobicContact CB-CG2 4.04Å; L443-I471 PolarHBondContact N-O 2.95Å; L443-I471 PolarHBondContact O-N 2.58Å; I445-I471 HydrophobicContact CD1-CG2 4.1Å; I471-E475 HydrophobicContact CG1-CB 4.12Å; I471-I477 HydrophobicContact CB-CD1 3.72Å; I471-I477 HydrophobicContact CB-CG1 4.04Å; I471-I477 HydrophobicContact CD1-CG1 4.36Å; I471-I477 HydrophobicContact CG1-CG1 4.42Å; I471-I477 HydrophobicContact CG2-CD1 4.32Å |
| 472 | S | 89.4 | Confident | 91.5 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | trans | -120.1 | 166.5 | 173.6 | -37.7 | 0 | 0 | 0 | 0 | 110.6 | G474 E475 | S472-G474 PolarHBondContact O-N 3.11Å; S472-E475 VanDerWaalsContact CB-OE2 3.23Å; S472-E475 WeakPolarHBondContact CB-OE2 2.89Å; S472-E475 PolarHBondContact N-OE2 3.21Å; S472-E475 VanDerWaalsContact O-CB 3.31Å; S472-E475 WeakPolarHBondContact O-CB 3.46Å; S472-E475 PolarHBondContact O-N 3.43Å; S472-E475 PolarHBondContact OG-OE2 3.38Å | ||
| 473 | P | 88.5 | Confident | 90.5 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 8% | 0.078 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 130.9 | 174.4 | -25.6 | 33.5 | 0 | 0 | 0 | 112.3 | W410 P441 E475 | W410-P473 HydrophobicContact CD2-CB 4.46Å; W410-P473 HydrophobicContact CD2-CG 4.08Å; W410-P473 HydrophobicContact CE3-CG 4.33Å; W410-P473 HydrophobicContact CH2-CG 4.04Å; W410-P473 HydrophobicContact CZ2-CG 3.73Å; W410-P473 HydrophobicContact CZ3-CG 4.31Å; P441-P473 HydrophobicContact CG-CG 3.81Å; P441-P473 WeakPolarHBondContact O-CD 3.33Å; P473-E475 VanDerWaalsContact C-N 3.33Å |
| 474 | G | 88.5 | Confident | 88.9 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 57% | 0.567 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -3.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | W410 S472 | W410-G474 VanDerWaalsContact O-CA 3.31Å; W410-G474 WeakPolarHBondContact O-CA 3.42Å; W410-G474 PolarHBondContact O-N 3.42Å; S472-G474 PolarHBondContact O-N 3.11Å |
| 475 | E | 92.1 | Very high | 86.7 | Confident | 95 Ų | 95 | 65.6 Ų | 65.6 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | trans | -97.9 | 166.5 | 179.5 | -60.5 | -176.2 | 148.1 | 0 | 0 | 112.5 | S409 W410 I471 S472 P473 | S409-E475 WeakPolarHBondContact CA-O 3.32Å; W410-E475 PolarHBondContact N-O 2.92Å; I471-E475 HydrophobicContact CG1-CB 4.12Å; S472-E475 VanDerWaalsContact CB-OE2 3.23Å; S472-E475 WeakPolarHBondContact CB-OE2 2.89Å; S472-E475 PolarHBondContact N-OE2 3.21Å; S472-E475 VanDerWaalsContact O-CB 3.31Å; S472-E475 WeakPolarHBondContact O-CB 3.46Å; S472-E475 PolarHBondContact O-N 3.43Å; S472-E475 PolarHBondContact OG-OE2 3.38Å; P473-E475 VanDerWaalsContact C-N 3.33Å | ||
| 476 | S | 94.8 | Very high | 84.7 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 142.5 | 173.6 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | L408 S409 | L408-S476 CarbonylContact O-C 3.5Å; L408-S476 WeakPolarHBondContact O-CA 3.49Å; L408-S476 WeakPolarHBondContact O-CB 3.3Å; S409-S476 WeakPolarHBondContact OG-CB 2.76Å |
| 477 | I | 95.8 | Very high | 82.4 | Confident | 10 Ų | 10 | 73.9 Ų | 73.9 | 5% | 0.051 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137.6 | 172.1 | -58.3 | 174.9 | 0 | 0 | 0 | 108.8 | R407 L408 A463 T469 I471 F479 | R407-I477 WeakPolarHBondContact CA-O 3.04Å; L408-I477 PolarHBondContact N-O 2.63Å; L408-I477 PolarHBondContact O-N 3.49Å; A463-I477 HydrophobicContact CB-CG2 4.35Å; T469-I477 WeakPolarHBondContact O-CD1 3.23Å; I471-I477 HydrophobicContact CB-CD1 3.72Å; I471-I477 HydrophobicContact CB-CG1 4.04Å; I471-I477 HydrophobicContact CD1-CG1 4.36Å; I471-I477 HydrophobicContact CG1-CG1 4.42Å; I471-I477 HydrophobicContact CG2-CD1 4.32Å; I477-F479 HydrophobicContact CB-CE2 3.72Å; I477-F479 HydrophobicContact CB-CZ 4.04Å; I477-F479 HydrophobicContact CD1-CZ 4.46Å; I477-F479 HydrophobicContact CG2-CD2 4.07Å; I477-F479 HydrophobicContact CG2-CE1 4.17Å; I477-F479 HydrophobicContact CG2-CE2 3.48Å; I477-F479 VanDerWaalsContact CG2-CE2 3.48Å; I477-F479 HydrophobicContact CG2-CZ 3.53Å |
| 478 | T | 96.8 | Very high | 80.4 | Confident | 22 Ų | 22 | 74.6 Ų | 74.6 | 14% | 0.135 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.1 | 169.4 | -68.4 | 0 | 0 | 0 | 0 | 111 | K405 I406 Q464 V480 | K405-T478 HydrophobicContact CD-CG2 3.41Å; K405-T478 VanDerWaalsContact CD-CG2 3.41Å; K405-T478 HydrophobicContact CG-CG2 3.66Å; I406-T478 CarbonylContact O-C 3.45Å; I406-T478 WeakPolarHBondContact O-CA 3.43Å; Q464-T478 HydrophobicContact CB-CG2 4Å; Q464-T478 PolarHBondContact N-O 2.89Å; T478-V480 HydrophobicContact CG2-CG1 4.41Å |
| 479 | F | 96.4 | Very high | 77.8 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135 | 172.4 | -55.7 | -99.8 | 0 | 0 | 0 | 111 | K405 I406 L408 I445 I448 F461 C462 A463 I477 | K405-F479 WeakPolarHBondContact CA-O 3.29Å; I406-F479 HydrophobicContact CB-CB 4.42Å; I406-F479 PolarHBondContact N-O 3.07Å; I406-F479 PolarHBondContact O-N 3.32Å; L408-F479 HydrophobicContact CB-CD2 4.48Å; L408-F479 HydrophobicContact CB-CE2 3.93Å; L408-F479 HydrophobicContact CD2-CE2 4.31Å; I445-F479 HydrophobicContact CB-CZ 4.18Å; I445-F479 HydrophobicContact CG2-CE1 4.09Å; I445-F479 HydrophobicContact CG2-CZ 3.7Å; I445-F479 WeakPolarHBondContact O-CE1 3.44Å; I448-F479 HydrophobicContact CD1-CD1 4.3Å; I448-F479 HydrophobicContact CD1-CD2 3.57Å; I448-F479 HydrophobicContact CD1-CE1 4.38Å; I448-F479 HydrophobicContact CD1-CE2 3.66Å; I448-F479 HydrophobicContact CD1-CG 3.93Å; I448-F479 HydrophobicContact CD1-CZ 4.08Å; I448-F479 HydrophobicContact CG1-CD1 4.13Å; I448-F479 HydrophobicContact CG1-CD2 4.29Å; I448-F479 HydrophobicContact CG1-CE1 4.15Å; I448-F479 HydrophobicContact CG1-CE2 4.3Å; I448-F479 HydrophobicContact CG1-CG 4.22Å; I448-F479 HydrophobicContact CG1-CZ 4.24Å; F461-F479 HydrophobicContact CB-CB 3.74Å; C462-F479 CarbonylContact O-C 3.42Å; C462-F479 WeakPolarHBondContact O-CA 3.31Å; A463-F479 HydrophobicContact CB-CD1 4.4Å; A463-F479 HydrophobicContact CB-CE1 4.29Å; I477-F479 HydrophobicContact CB-CE2 3.72Å; I477-F479 HydrophobicContact CB-CZ 4.04Å; I477-F479 HydrophobicContact CD1-CZ 4.46Å; I477-F479 HydrophobicContact CG2-CD2 4.07Å; I477-F479 HydrophobicContact CG2-CE1 4.17Å; I477-F479 HydrophobicContact CG2-CE2 3.48Å; I477-F479 VanDerWaalsContact CG2-CE2 3.48Å; I477-F479 HydrophobicContact CG2-CZ 3.53Å |
| 480 | V | 95.1 | Very high | 75.2 | Confident | 48 Ų | 48 | 81.4 Ų | 81.4 | 29% | 0.291 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 163.6 | 175.2 | -64.1 | 0 | 0 | 0 | 0 | 109.6 | K405 F461 C462 Q464 T478 C482 | K405-V480 HydrophobicContact CB-CG1 4.45Å; K405-V480 HydrophobicContact CD-CG1 4.41Å; K405-V480 HydrophobicContact CG-CG1 4.48Å; F461-V480 CarbonylContact C-O 3.57Å; F461-V480 WeakPolarHBondContact CA-O 3.35Å; F461-V480 VanDerWaalsContact CD1-C 3.47Å; C462-V480 PolarHBondContact N-O 3.39Å; C462-V480 PolarHBondContact O-N 3.48Å; Q464-V480 HydrophobicContact CB-CG1 4.17Å; Q464-V480 HydrophobicContact CB-CG2 4.29Å; Q464-V480 HydrophobicContact CG-CG1 4.2Å; Q464-V480 HydrophobicContact CG-CG2 4.49Å; T478-V480 HydrophobicContact CG2-CG1 4.41Å; V480-C482 PolarHBondContact O-N 3.35Å |
| 481 | K | 92.1 | Very high | 72.8 | Confident | 75 Ų | 75 | 89.3 Ų | 89.3 | 33% | 0.326 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 129.6 | 177 | -69.5 | 178.9 | -178.2 | 168.4 | 0 | 110 | L403 F461 | L403-K481 WeakPolarHBondContact O-CE 3.44Å; L403-K481 PolarHBondContact O-NZ 3Å; F461-K481 HydrophobicContact CD1-CG 4.26Å; F461-K481 HydrophobicContact CE1-CG 3.68Å; F461-K481 HydrophobicContact CZ-CG 4.1Å |
| 482 | C | 88.7 | Confident | 70.6 | Confident | 25 Ų | 25 | 99.1 Ų | 99.1 | 17% | 0.169 | 50% | 0.499 | C | S | . | . | trans | -60.5 | 144.5 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | A460 C462 V480 D484 | A460-C482 VanDerWaalsContact C-SG 3.51Å; A460-C482 PolarHBondContact O-N 3.46Å; A460-C482 PolarHBondContact O-SG 3.02Å; A460-C482 VanDerWaalsContact O-SG 3.37Å; C462-C482 HydrophobicContact CB-CB 4.05Å; C462-C482 WeakPolarHBondContact CB-SG 3.31Å; C462-C482 PolarHBondContact N-SG 3.22Å; C462-C482 WeakPolarHBondContact SG-CB 3.24Å; C462-C482 CovalentContact SG-SG 2.05Å; C462-C482 PolarHBondContact SG-SG 2.93Å; V480-C482 PolarHBondContact O-N 3.35Å; C482-D484 VanDerWaalsContact C-N 3.34Å | ||
| 483 | R | 74.9 | Confident | 68.3 | Low | 247 Ų | 247 | 109.9 Ų | 109.9 | 93% | 0.932 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -72.7 | -26.8 | -179.8 | -66.5 | -177.3 | -179.5 | -179.8 | 0.1 | 112.9 | G485 | R483-G485 PolarHBondContact O-N 2.88Š|
| 484 | D | 60 | Low | 65.9 | Low | 146 Ų | 146 | 117 Ų | 117 | 78% | 0.781 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -74.9 | 118 | 177.6 | -50.2 | -31.2 | 0 | 0 | 0 | 109.3 | C482 | C482-D484 VanDerWaalsContact C-N 3.34Š|
| 485 | G | 46.3 | Very low | 64.2 | Low | 65 Ų | 65 | 120.1 Ų | 120.1 | 67% | 0.67 | 58% | 0.584 | S | S | * | * | trans | -58.2 | 164.5 | -156.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | R483 E487 | R483-G485 PolarHBondContact O-N 2.88Å; G485-E487 PolarHBondContact O-N 3.34Å | ||
| 486 | W | 47.8 | Very low | 61.9 | Low | 158 Ų | 158 | 128.2 Ų | 128.2 | 60% | 0.598 | 63% | 0.625 | S | S | * | * | trans | -62 | 90.3 | 167 | -79.1 | 50.1 | 0 | 0 | 0 | 110.6 | F459 V488 | F459-W486 HydrophobicContact CD1-CH2 4.14Å; F459-W486 AromaticContact CD1-CZ2 3.63Å; F459-W486 HydrophobicContact CD1-CZ2 3.63Å; F459-W486 AromaticContact CE1-CH2 3.72Å; F459-W486 HydrophobicContact CE1-CH2 3.72Å; F459-W486 AromaticContact CE1-CZ2 3.54Å; F459-W486 HydrophobicContact CE1-CZ2 3.54Å; W486-V488 HydrophobicContact CE3-CG2 4.17Å; W486-V488 PolarHBondContact O-N 3.32Å | ||
| 487 | E | 37.5 | Very low | 60.2 | Low | 186 Ų | 186 | 131.8 Ų | 131.8 | 87% | 0.869 | 64% | 0.637 | S | S | * | * | trans | -72.3 | 85.4 | 157.1 | -79.8 | -164.8 | 169 | 0 | 0 | 109 | G485 K489 | G485-E487 PolarHBondContact O-N 3.34Å; E487-K489 VanDerWaalsContact C-N 3.35Å; E487-K489 PolarHBondContact O-N 3.47Å | ||
| 488 | V | 43.8 | Very low | 58.3 | Low | 110 Ų | 110 | 138.2 Ų | 138.2 | 67% | 0.667 | 67% | 0.668 | S | S | * | * | trans | -60.2 | 104.7 | 153.2 | -176.5 | 0 | 0 | 0 | 0 | 105.3 | W486 P490 | W486-V488 HydrophobicContact CE3-CG2 4.17Å; W486-V488 PolarHBondContact O-N 3.32Å; V488-P490 WeakPolarHBondContact O-CD 3.34Å; V488-P490 VanDerWaalsContact O-N 3.07Å | ||
| 489 | K | 33.8 | Very low | 56.2 | Low | 185 Ų | 185 | 144.7 Ų | 144.7 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 122.5 | 173.9 | -74.6 | -168.1 | 174.5 | -164.9 | 0 | 108.5 | E487 R491 | E487-K489 VanDerWaalsContact C-N 3.35Å; E487-K489 PolarHBondContact O-N 3.47Å; K489-R491 PolarHBondContact O-N 2.97Å |
| 490 | P | 35.8 | Very low | 53.8 | Low | 120 Ų | 120 | 153.2 Ų | 153.2 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133 | -179.8 | 19 | -28.9 | 0 | 0 | 0 | 109.3 | V488 K492 | V488-P490 WeakPolarHBondContact O-CD 3.34Å; V488-P490 VanDerWaalsContact O-N 3.07Å; P490-K492 PolarHBondContact O-N 3.24Å; P490-K492 VanDerWaalsContact O-N 3.15Å |
| 491 | R | 40.8 | Very low | 51.3 | Low | 244 Ų | 244 | 159.8 Ų | 159.8 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 122 | 167 | -113.3 | 174.7 | 165.7 | 168.1 | -5.3 | 106.7 | K489 R493 | K489-R491 PolarHBondContact O-N 2.97Å; R491-R493 PolarHBondContact O-N 2.87Å; R491-R493 VanDerWaalsContact O-N 3.15Å |
| 492 | K | 43 | Very low | 48.5 | Very low | 207 Ų | 207 | 165.4 Ų | 165.4 | 90% | 0.9 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 124.8 | 171.9 | -80.2 | -175.2 | 170.9 | -170.2 | 0 | 108.1 | P490 L494 | P490-K492 PolarHBondContact O-N 3.24Å; P490-K492 VanDerWaalsContact O-N 3.15Å; K492-L494 PolarHBondContact O-N 2.97Å |
| 493 | R | 41.6 | Very low | 45.7 | Very low | 241 Ų | 241 | 175.4 Ų | 175.4 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 129.4 | 170.5 | -68.3 | 179 | 177.5 | 178.1 | -1.9 | 108.2 | R491 | R491-R493 PolarHBondContact O-N 2.87Å; R491-R493 VanDerWaalsContact O-N 3.15Å |
| 494 | L | 38.7 | Very low | 43.4 | Very low | 163 Ų | 163 | 169.9 Ų | 169.9 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 140.9 | 163.9 | -74.2 | 160.3 | 0 | 0 | 0 | 107.7 | K492 | K492-L494 PolarHBondContact O-N 2.97Š|
| 495 | P | 51.8 | Low | 42 | Very low | 120 Ų | 120 | 171.9 Ų | 171.9 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.7 | 168.5 | -5.6 | 21.7 | 0 | 0 | 0 | 109.2 | ||
| 496 | M | 43.4 | Very low | 41.6 | Very low | 264 Ų | 264 | 181.6 Ų | 181.6 | 100% | 1.3 | 85% | 0.853 | S | S | * | * | trans | -63.1 | 0 | 163.3 | -107.3 | -177.3 | -90.7 | 0 | 0 | 110.4 |
Retrieved 496 of 496 residues in 745.6 ms
(Link to these results)