| 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 | 37.6 | Very low | 45.2 | Very low | 246 Ų | 246 | 119.5 Ų | 119.5 | 100% | 1.212 | 70% | 0.698 | S | S | * | * | 0 | 92 | 0 | -69.9 | 164.2 | 89.2 | 0 | 0 | 107.3 | |||||
| 2 | M | 35.1 | Very low | 45.5 | Very low | 197 Ų | 197 | 112.8 Ų | 112.8 | 97% | 0.97 | 67% | 0.674 | S | S | * | * | trans | -110.4 | 104 | 174.9 | -77.7 | 161.4 | 103 | 0 | 0 | 106.1 | ||||
| 3 | G | 37.1 | Very low | 46.4 | Very low | 76 Ų | 76 | 113.8 Ų | 113.8 | 78% | 0.784 | 67% | 0.665 | S | S | * | * | trans | -71.2 | 137.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | S | 42 | Very low | 46.4 | Very low | 77 Ų | 77 | 110.9 Ų | 110.9 | 54% | 0.538 | 65% | 0.653 | S | S | . | * | trans | -61 | 131.3 | -178.5 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | V6 | S4-V6 PolarHBondContact O-N 2.94Å; S4-V6 VanDerWaalsContact O-N 3.09Å; S4-V6 PolarHBondContact OG-N 2.9Å | ||
| 5 | P | 49.3 | Very low | 46.8 | Very low | 95 Ų | 95 | 109 Ų | 109 | 62% | 0.617 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -5 | -179.6 | 27.7 | -33.9 | 0 | 0 | 0 | 114 | ||
| 6 | V | 49.5 | Very low | 47 | Very low | 85 Ų | 85 | 113.8 Ų | 113.8 | 52% | 0.515 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -75.5 | -27.3 | -175.5 | -175.3 | 0 | 0 | 0 | 0 | 112.5 | S4 H8 L9 L10 | S4-V6 PolarHBondContact O-N 2.94Å; S4-V6 VanDerWaalsContact O-N 3.09Å; S4-V6 PolarHBondContact OG-N 2.9Å; V6-H8 PolarHBondContact O-N 3.3Å; V6-L9 PolarHBondContact O-N 3.25Å; V6-L10 HydrophobicContact CG1-CD1 4.25Å; V6-L10 PolarHBondContact O-N 3.41Å |
| 7 | S | 46 | Very low | 47.4 | Very low | 86 Ų | 86 | 112.2 Ų | 112.2 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.8 | -30 | -178.6 | -163.9 | 0 | 0 | 0 | 0 | 113.4 | A11 | S7-A11 PolarHBondContact O-N 3.36Å |
| 8 | H | 49.9 | Very low | 47.5 | Very low | 156 Ų | 156 | 112.9 Ų | 112.9 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -80.8 | -26.9 | 177.9 | -68.8 | -68.2 | 0 | 0 | 0 | 112.5 | V6 G12 | V6-H8 PolarHBondContact O-N 3.3Å; H8-G12 PolarHBondContact O-N 3.23Å |
| 9 | L | 49.6 | Very low | 47.2 | Very low | 128 Ų | 128 | 113.1 Ų | 113.1 | 67% | 0.67 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.7 | -38.4 | 175.7 | -82.9 | 158.4 | 0 | 0 | 0 | 112.4 | V6 F13 | V6-L9 PolarHBondContact O-N 3.25Å; L9-F13 WeakPolarHBondContact O-CB 2.93Å; L9-F13 PolarHBondContact O-N 2.93Å |
| 10 | L | 51.2 | Low | 46.9 | Very low | 112 Ų | 112 | 110.2 Ų | 110.2 | 59% | 0.586 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.9 | -41.2 | 176.1 | -84.8 | 154.9 | 0 | 0 | 0 | 112.4 | V6 G12 F13 C14 | V6-L10 HydrophobicContact CG1-CD1 4.25Å; V6-L10 PolarHBondContact O-N 3.41Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-F13 PolarHBondContact O-N 2.74Å; L10-C14 PolarHBondContact O-N 2.74Å; L10-C14 VanDerWaalsContact O-N 3.07Å; L10-C14 PolarHBondContact O-SG 3.05Å |
| 11 | A | 49.8 | Very low | 46.5 | Very low | 56 Ų | 56 | 116.6 Ų | 116.6 | 46% | 0.463 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -64.3 | -39.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S7 V15 | S7-A11 PolarHBondContact O-N 3.36Å; A11-V15 VanDerWaalsContact O-CG2 3.28Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3.03Å; A11-V15 VanDerWaalsContact O-N 3.09Å |
| 12 | G | 48.6 | Very low | 46.5 | Very low | 40 Ų | 40 | 110.7 Ų | 110.7 | 41% | 0.412 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.2 | -36.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H8 L10 W16 | H8-G12 PolarHBondContact O-N 3.23Å; L10-G12 VanDerWaalsContact C-N 3.34Å; G12-W16 VanDerWaalsContact O-CB 3.31Å; G12-W16 WeakPolarHBondContact O-CB 3.14Å; G12-W16 PolarHBondContact O-N 3.12Å |
| 13 | F | 57.9 | Low | 46.4 | Very low | 126 Ų | 126 | 104.1 Ų | 104.1 | 55% | 0.553 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.7 | -39.7 | 177.6 | -164.4 | -99.1 | 0 | 0 | 0 | 112.1 | L9 L10 W16 V17 | L9-F13 WeakPolarHBondContact O-CB 2.93Å; L9-F13 PolarHBondContact O-N 2.93Å; L10-F13 PolarHBondContact O-N 2.74Å; F13-W16 HydrophobicContact CE2-CE3 4.35Å; F13-W16 HydrophobicContact CE2-CZ3 4.49Å; F13-W16 PolarHBondContact O-N 3.41Å; F13-V17 HydrophobicContact CD1-CG2 4.11Å; F13-V17 HydrophobicContact CE1-CG2 3.88Å; F13-V17 HydrophobicContact CZ-CG2 4.32Å; F13-V17 VanDerWaalsContact O-CG2 3.3Å; F13-V17 WeakPolarHBondContact O-CG2 3.41Å; F13-V17 PolarHBondContact O-N 3.12Å |
| 14 | C | 46.8 | Very low | 46.3 | Very low | 73 Ų | 73 | 104.2 Ų | 104.2 | 49% | 0.493 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.9 | -39.9 | 174 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | L10 V17 I18 | L10-C14 PolarHBondContact O-N 2.74Å; L10-C14 VanDerWaalsContact O-N 3.07Å; L10-C14 PolarHBondContact O-SG 3.05Å; C14-V17 PolarHBondContact O-N 3.31Å; C14-I18 WeakPolarHBondContact O-CB 3.41Å; C14-I18 WeakPolarHBondContact O-CD1 3.4Å; C14-I18 WeakPolarHBondContact O-CG1 3.13Å; C14-I18 PolarHBondContact O-N 3.26Å |
| 15 | V | 52.4 | Low | 46 | Very low | 82 Ų | 82 | 105.9 Ų | 105.9 | 50% | 0.497 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.2 | -35.4 | 175.3 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | A11 I18 L19 | A11-V15 VanDerWaalsContact O-CG2 3.28Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3.03Å; A11-V15 VanDerWaalsContact O-N 3.09Å; V15-I18 PolarHBondContact O-N 3.26Å; V15-L19 HydrophobicContact CG1-CD1 3.49Å; V15-L19 VanDerWaalsContact CG1-CD1 3.49Å; V15-L19 HydrophobicContact CG1-CG 4.29Å; V15-L19 VanDerWaalsContact O-CB 3.26Å; V15-L19 WeakPolarHBondContact O-CB 3.41Å; V15-L19 WeakPolarHBondContact O-CG 3.22Å; V15-L19 PolarHBondContact O-N 3.24Å |
| 16 | W | 49.2 | Very low | 45.8 | Very low | 186 Ų | 186 | 107.6 Ų | 107.6 | 71% | 0.705 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.1 | -34.9 | 176.7 | -167.6 | 63.3 | 0 | 0 | 0 | 113.1 | G12 F13 G20 | G12-W16 VanDerWaalsContact O-CB 3.31Å; G12-W16 WeakPolarHBondContact O-CB 3.14Å; G12-W16 PolarHBondContact O-N 3.12Å; F13-W16 HydrophobicContact CE2-CE3 4.35Å; F13-W16 HydrophobicContact CE2-CZ3 4.49Å; F13-W16 PolarHBondContact O-N 3.41Å; W16-G20 WeakPolarHBondContact O-CA 3.4Å; W16-G20 PolarHBondContact O-N 3Å |
| 17 | V | 54.5 | Low | 45.5 | Very low | 87 Ų | 87 | 108.2 Ų | 108.2 | 53% | 0.527 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.4 | -35 | 173.5 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | F13 C14 | F13-V17 HydrophobicContact CD1-CG2 4.11Å; F13-V17 HydrophobicContact CE1-CG2 3.88Å; F13-V17 HydrophobicContact CZ-CG2 4.32Å; F13-V17 VanDerWaalsContact O-CG2 3.3Å; F13-V17 WeakPolarHBondContact O-CG2 3.41Å; F13-V17 PolarHBondContact O-N 3.12Å; C14-V17 PolarHBondContact O-N 3.31Å |
| 18 | I | 48.6 | Very low | 45.4 | Very low | 124 Ų | 124 | 110.7 Ų | 110.7 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77.9 | -36.6 | 178.3 | -66.8 | 168.9 | 0 | 0 | 0 | 111.9 | C14 V15 | C14-I18 WeakPolarHBondContact O-CB 3.41Å; C14-I18 WeakPolarHBondContact O-CD1 3.4Å; C14-I18 WeakPolarHBondContact O-CG1 3.13Å; C14-I18 PolarHBondContact O-N 3.26Å; V15-I18 PolarHBondContact O-N 3.26Å |
| 19 | L | 42.7 | Very low | 45.5 | Very low | 117 Ų | 117 | 109.3 Ų | 109.3 | 61% | 0.613 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -87.8 | -21.4 | 179 | -69.8 | 171 | 0 | 0 | 0 | 113.9 | V15 W21 V22 | V15-L19 HydrophobicContact CG1-CD1 3.49Å; V15-L19 VanDerWaalsContact CG1-CD1 3.49Å; V15-L19 HydrophobicContact CG1-CG 4.29Å; V15-L19 VanDerWaalsContact O-CB 3.26Å; V15-L19 WeakPolarHBondContact O-CB 3.41Å; V15-L19 WeakPolarHBondContact O-CG 3.22Å; V15-L19 PolarHBondContact O-N 3.24Å; L19-W21 PolarHBondContact O-N 2.91Å; L19-V22 PolarHBondContact O-N 3.36Å |
| 20 | G | 40 | Very low | 45.9 | Very low | 55 Ų | 55 | 105.1 Ų | 105.1 | 57% | 0.567 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -11.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | W16 | W16-G20 WeakPolarHBondContact O-CA 3.4Å; W16-G20 PolarHBondContact O-N 3Å |
| 21 | W | 39.2 | Very low | 46.6 | Very low | 244 Ų | 244 | 103.4 Ų | 103.4 | 92% | 0.924 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -9.1 | 178.3 | -119.3 | 40.5 | 0 | 0 | 0 | 114.3 | L19 G23 | L19-W21 PolarHBondContact O-N 2.91Å; W21-G23 VanDerWaalsContact C-N 3.32Å; W21-G23 PolarHBondContact O-N 3.2Å |
| 22 | V | 37.5 | Very low | 47.1 | Very low | 122 Ų | 122 | 103.5 Ų | 103.5 | 74% | 0.739 | 62% | 0.623 | S | S | * | * | trans | -101.9 | 46.7 | 176.9 | -168.3 | 0 | 0 | 0 | 0 | 110.1 | L19 G24 | L19-V22 PolarHBondContact O-N 3.36Å; V22-G24 VanDerWaalsContact C-N 3.34Å; V22-G24 PolarHBondContact O-N 2.86Å | ||
| 23 | G | 33.6 | Very low | 48.1 | Very low | 60 Ų | 60 | 107.1 Ų | 107.1 | 62% | 0.619 | 63% | 0.63 | S | S | * | * | trans | -85 | 78.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | W21 S25 | W21-G23 VanDerWaalsContact C-N 3.32Å; W21-G23 PolarHBondContact O-N 3.2Å; G23-S25 PolarHBondContact O-N 3.15Å | ||
| 24 | G | 34.9 | Very low | 48.9 | Very low | 78 Ų | 78 | 108.2 Ų | 108.2 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | trans | -56.8 | 99.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | V22 | V22-G24 VanDerWaalsContact C-N 3.34Å; V22-G24 PolarHBondContact O-N 2.86Å | ||
| 25 | S | 36.1 | Very low | 50.4 | Low | 111 Ų | 111 | 110.5 Ų | 110.5 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -75 | 122.5 | 167.9 | -58 | 0 | 0 | 0 | 0 | 107.2 | G23 | G23-S25 PolarHBondContact O-N 3.15Š|
| 26 | V | 43.9 | Very low | 51.7 | Low | 132 Ų | 132 | 111.2 Ų | 111.2 | 80% | 0.8 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 125.3 | 168.9 | 177.6 | 0 | 0 | 0 | 0 | 108.1 | N28 | V26-N28 PolarHBondContact O-N 3.38Š|
| 27 | P | 42.7 | Very low | 53.1 | Low | 98 Ų | 98 | 106.4 Ų | 106.4 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 117.9 | -178 | 23.3 | -30.2 | 0 | 0 | 0 | 108.3 | L29 | P27-L29 PolarHBondContact O-N 2.94Å; P27-L29 VanDerWaalsContact O-N 3.11Å |
| 28 | N | 44.4 | Very low | 54.5 | Low | 137 Ų | 137 | 107.4 Ų | 107.4 | 73% | 0.733 | 62% | 0.624 | S | S | * | * | trans | -65.7 | 106.2 | 161.3 | -126.3 | -28.4 | 0 | 0 | 0 | 104.9 | V26 G30 P31 | V26-N28 PolarHBondContact O-N 3.38Å; N28-G30 PolarHBondContact O-N 2.9Å; N28-P31 HydrophobicContact CB-CG 4.36Å; N28-P31 WeakPolarHBondContact O-CD 3.32Å; N28-P31 VanDerWaalsContact O-CG 3.31Å; N28-P31 WeakPolarHBondContact O-CG 3.22Å | ||
| 29 | L | 51.1 | Low | 56.3 | Low | 127 Ų | 127 | 108.5 Ų | 108.5 | 67% | 0.665 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.8 | -16.4 | -177.8 | -89.2 | 89.6 | 0 | 0 | 0 | 113.2 | P27 A32 E33 | P27-L29 PolarHBondContact O-N 2.94Å; P27-L29 VanDerWaalsContact O-N 3.11Å; L29-A32 PolarHBondContact O-N 3.38Å; L29-E33 WeakPolarHBondContact O-CB 3.45Å; L29-E33 PolarHBondContact O-N 3.32Å |
| 30 | G | 58.8 | Low | 58.3 | Low | 40 Ų | 40 | 103.7 Ų | 103.7 | 41% | 0.412 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -56.7 | -52.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N28 Q34 | N28-G30 PolarHBondContact O-N 2.9Å; G30-Q34 WeakPolarHBondContact O-CB 3.29Å; G30-Q34 PolarHBondContact O-N 3.15Å |
| 31 | P | 66.5 | Low | 60.4 | Low | 76 Ų | 76 | 104.3 Ų | 104.3 | 49% | 0.494 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.5 | -40.3 | 177.2 | 18.2 | -31.5 | 0 | 0 | 0 | 113.8 | N28 Q34 E35 | N28-P31 HydrophobicContact CB-CG 4.36Å; N28-P31 WeakPolarHBondContact O-CD 3.32Å; N28-P31 VanDerWaalsContact O-CG 3.31Å; N28-P31 WeakPolarHBondContact O-CG 3.22Å; P31-Q34 PolarHBondContact O-N 3.42Å; P31-E35 PolarHBondContact O-N 2.76Å |
| 32 | A | 60.5 | Low | 62.6 | Low | 59 Ų | 59 | 97.5 Ų | 97.5 | 49% | 0.488 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.7 | -40.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L29 Q34 E35 Q36 | L29-A32 PolarHBondContact O-N 3.38Å; A32-Q34 VanDerWaalsContact C-N 3.29Å; A32-Q34 PolarHBondContact O-N 3.4Å; A32-E35 PolarHBondContact O-N 3.45Å; A32-Q36 WeakPolarHBondContact O-CB 3.41Å; A32-Q36 PolarHBondContact O-N 3.41Å |
| 33 | E | 69.1 | Low | 65.1 | Low | 116 Ų | 116 | 93.7 Ų | 93.7 | 54% | 0.542 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 174.6 | -172.5 | 178 | -178.2 | 0 | 0 | 111.3 | L29 N37 | L29-E33 WeakPolarHBondContact O-CB 3.45Å; L29-E33 PolarHBondContact O-N 3.32Å; E33-N37 WeakPolarHBondContact O-CB 3.37Å; E33-N37 VanDerWaalsContact O-CG 3.23Å; E33-N37 PolarHBondContact O-N 3.41Å; E33-N37 PolarHBondContact O-ND2 3.19Å |
| 34 | Q | 75.5 | Confident | 67.7 | Low | 149 Ų | 149 | 91.4 Ų | 91.4 | 70% | 0.696 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.2 | -40.7 | 177.4 | -168.9 | 163.7 | 1.9 | 0 | 0 | 112.3 | G30 P31 A32 H38 | G30-Q34 WeakPolarHBondContact O-CB 3.29Å; G30-Q34 PolarHBondContact O-N 3.15Å; P31-Q34 PolarHBondContact O-N 3.42Å; A32-Q34 VanDerWaalsContact C-N 3.29Å; A32-Q34 PolarHBondContact O-N 3.4Å; Q34-H38 PolarHBondContact O-N 2.96Å |
| 35 | E | 77.1 | Confident | 70.1 | Confident | 121 Ų | 121 | 90.8 Ų | 90.8 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.4 | -45 | 173.2 | -74.6 | -176.2 | 169.7 | 0 | 0 | 111.9 | P31 A32 N37 H38 Y39 | P31-E35 PolarHBondContact O-N 2.76Å; A32-E35 PolarHBondContact O-N 3.45Å; E35-N37 VanDerWaalsContact C-N 3.3Å; E35-N37 PolarHBondContact O-N 2.93Å; E35-H38 WeakPolarHBondContact O-CA 3.37Å; E35-H38 VanDerWaalsContact O-CB 3.31Å; E35-H38 WeakPolarHBondContact O-CB 3.32Å; E35-H38 PolarHBondContact O-N 3.4Å; E35-Y39 HydrophobicContact CB-CE2 4.35Å; E35-Y39 WeakPolarHBondContact O-CD2 3.29Å; E35-Y39 PolarHBondContact O-N 2.81Å |
| 36 | Q | 79.2 | Confident | 72.3 | Confident | 97 Ų | 97 | 92 Ų | 92 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 176.5 | -175.3 | 178.8 | 12.9 | 0 | 0 | 111.5 | A32 H38 Y39 L40 | A32-Q36 WeakPolarHBondContact O-CB 3.41Å; A32-Q36 PolarHBondContact O-N 3.41Å; Q36-H38 VanDerWaalsContact C-N 3.3Å; Q36-H38 PolarHBondContact O-N 3.49Å; Q36-Y39 PolarHBondContact O-N 3.09Å; Q36-L40 HydrophobicContact CG-CD1 4.14Å; Q36-L40 WeakPolarHBondContact O-CB 3.41Å; Q36-L40 WeakPolarHBondContact O-CG 3.49Å; Q36-L40 PolarHBondContact O-N 3.45Å |
| 37 | N | 79.4 | Confident | 74.3 | Confident | 85 Ų | 85 | 88.6 Ų | 88.6 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 176.7 | -74.9 | -40.5 | 0 | 0 | 0 | 112.5 | E33 E35 A41 | E33-N37 WeakPolarHBondContact O-CB 3.37Å; E33-N37 VanDerWaalsContact O-CG 3.23Å; E33-N37 PolarHBondContact O-N 3.41Å; E33-N37 PolarHBondContact O-ND2 3.19Å; E35-N37 VanDerWaalsContact C-N 3.3Å; E35-N37 PolarHBondContact O-N 2.93Å; N37-A41 WeakPolarHBondContact O-CB 3.21Å; N37-A41 PolarHBondContact O-N 3.48Å |
| 38 | H | 84.6 | Confident | 76.3 | Confident | 107 Ų | 107 | 84.8 Ų | 84.8 | 50% | 0.495 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 174.5 | -175.6 | 78.3 | 0 | 0 | 0 | 111.8 | Q34 E35 Q36 A41 Q42 | Q34-H38 PolarHBondContact O-N 2.96Å; E35-H38 WeakPolarHBondContact O-CA 3.37Å; E35-H38 VanDerWaalsContact O-CB 3.31Å; E35-H38 WeakPolarHBondContact O-CB 3.32Å; E35-H38 PolarHBondContact O-N 3.4Å; Q36-H38 VanDerWaalsContact C-N 3.3Å; Q36-H38 PolarHBondContact O-N 3.49Å; H38-A41 PolarHBondContact O-N 3.36Å; H38-Q42 PolarHBondContact NE2-NE2 2.88Å; H38-Q42 PolarHBondContact O-N 3.33Å; H38-Q42 VanDerWaalsContact O-N 3.11Å |
| 39 | Y | 84.9 | Confident | 78.2 | Confident | 147 Ų | 147 | 83.4 Ų | 83.4 | 58% | 0.576 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -67.8 | -39.8 | 178.7 | -69.4 | -64.5 | 0 | 0 | 0 | 112.7 | E35 Q36 A41 Q42 L43 | E35-Y39 HydrophobicContact CB-CE2 4.35Å; E35-Y39 WeakPolarHBondContact O-CD2 3.29Å; E35-Y39 PolarHBondContact O-N 2.81Å; Q36-Y39 PolarHBondContact O-N 3.09Å; Y39-A41 VanDerWaalsContact C-N 3.3Å; Y39-A41 PolarHBondContact O-N 2.7Å; Y39-Q42 PolarHBondContact O-N 3.5Å; Y39-L43 WeakPolarHBondContact O-CB 3.46Å; Y39-L43 PolarHBondContact O-N 3.39Å |
| 40 | L | 85.6 | Confident | 79.6 | Confident | 17 Ų | 17 | 85.4 Ų | 85.4 | 9% | 0.089 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 173.9 | -73.6 | 174.7 | 0 | 0 | 0 | 111.6 | Q36 L43 F44 F181 A182 | Q36-L40 HydrophobicContact CG-CD1 4.14Å; Q36-L40 WeakPolarHBondContact O-CB 3.41Å; Q36-L40 WeakPolarHBondContact O-CG 3.49Å; Q36-L40 PolarHBondContact O-N 3.45Å; L40-L43 PolarHBondContact O-N 3.39Å; L40-F44 WeakPolarHBondContact O-CB 3.38Å; L40-F44 VanDerWaalsContact O-CD2 3.25Å; L40-F44 WeakPolarHBondContact O-CD2 3.38Å; L40-F44 PolarHBondContact O-N 3.08Å; L40-F181 HydrophobicContact CD2-CD1 3.67Å; L40-F181 HydrophobicContact CD2-CE1 4.15Å; L40-A182 HydrophobicContact CD1-CB 4.25Å |
| 41 | A | 83.2 | Confident | 80.6 | Confident | 67 Ų | 67 | 85.9 Ų | 85.9 | 55% | 0.554 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N37 H38 Y39 G45 | N37-A41 WeakPolarHBondContact O-CB 3.21Å; N37-A41 PolarHBondContact O-N 3.48Å; H38-A41 PolarHBondContact O-N 3.36Å; Y39-A41 VanDerWaalsContact C-N 3.3Å; Y39-A41 PolarHBondContact O-N 2.7Å; A41-G45 PolarHBondContact O-N 2.85Å |
| 42 | Q | 86.7 | Confident | 81.6 | Confident | 102 Ų | 102 | 84 Ų | 84 | 48% | 0.477 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 174.9 | -69.4 | -173.2 | 3 | 0 | 0 | 111.8 | H38 Y39 F44 G45 L46 | H38-Q42 PolarHBondContact NE2-NE2 2.88Å; H38-Q42 PolarHBondContact O-N 3.33Å; H38-Q42 VanDerWaalsContact O-N 3.11Å; Y39-Q42 PolarHBondContact O-N 3.5Å; Q42-F44 PolarHBondContact O-N 3.11Å; Q42-G45 PolarHBondContact O-N 3.17Å; Q42-G45 VanDerWaalsContact O-N 3.12Å; Q42-L46 WeakPolarHBondContact O-CG 3.28Å; Q42-L46 PolarHBondContact O-N 3.32Å |
| 43 | L | 88.3 | Confident | 82.8 | Confident | 41 Ų | 41 | 81.2 Ų | 81.2 | 22% | 0.215 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | -179.9 | -174.4 | 152.2 | 0 | 0 | 0 | 111.4 | Y39 L40 G45 L46 Y47 L61 F181 | Y39-L43 WeakPolarHBondContact O-CB 3.46Å; Y39-L43 PolarHBondContact O-N 3.39Å; L40-L43 PolarHBondContact O-N 3.39Å; L43-G45 VanDerWaalsContact C-N 3.29Å; L43-G45 PolarHBondContact O-N 3.42Å; L43-L46 PolarHBondContact O-N 3Å; L43-Y47 HydrophobicContact CG-CD2 4.44Å; L43-Y47 WeakPolarHBondContact O-CD2 3.39Å; L43-Y47 PolarHBondContact O-N 3.37Å; L43-L61 HydrophobicContact CD1-CD1 3.96Å; L43-L61 HydrophobicContact CD1-CD2 4.24Å; L43-L61 HydrophobicContact CD2-CD1 4.3Å; L43-L61 HydrophobicContact CD2-CD2 3.82Å; L43-L61 HydrophobicContact CG-CD1 4.02Å; L43-L61 HydrophobicContact CG-CD2 4.36Å; L43-F181 HydrophobicContact CD1-CE1 3.94Å; L43-F181 HydrophobicContact CD1-CZ 4.16Å; L43-F181 HydrophobicContact CD2-CD1 4.45Å; L43-F181 HydrophobicContact CD2-CE1 3.97Å; L43-F181 HydrophobicContact CD2-CZ 4.14Å |
| 44 | F | 89.6 | Confident | 83.6 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 5% | 0.053 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -70.8 | -25.8 | 176.5 | -84.1 | -121.2 | 0 | 0 | 0 | 112.6 | L40 Q42 G48 L53 L176 P178 F181 | L40-F44 WeakPolarHBondContact O-CB 3.38Å; L40-F44 VanDerWaalsContact O-CD2 3.25Å; L40-F44 WeakPolarHBondContact O-CD2 3.38Å; L40-F44 PolarHBondContact O-N 3.08Å; Q42-F44 PolarHBondContact O-N 3.11Å; F44-G48 CarbonylContact O-C 3.31Å; F44-G48 WeakPolarHBondContact O-CA 3.43Å; F44-G48 PolarHBondContact O-N 3.14Å; F44-L53 HydrophobicContact CD1-CB 4.38Å; F44-L53 HydrophobicContact CE1-CB 3.82Å; F44-L53 HydrophobicContact CZ-CB 3.89Å; F44-L176 WeakPolarHBondContact CE1-O 3.29Å; F44-P178 HydrophobicContact CD1-CG 3.89Å; F44-P178 HydrophobicContact CE1-CB 4.39Å; F44-P178 HydrophobicContact CE1-CG 3.76Å; F44-P178 HydrophobicContact CE2-CB 4.49Å; F44-P178 HydrophobicContact CG-CG 4.36Å; F44-P178 VanDerWaalsContact CZ-CA 3.49Å; F44-P178 HydrophobicContact CZ-CB 4.27Å; F44-P178 HydrophobicContact CZ-CG 4.14Å; F44-F181 HydrophobicContact CE2-CB 3.82Å; F44-F181 AromaticContact CE2-CD1 3.87Å; F44-F181 HydrophobicContact CE2-CD1 3.87Å; F44-F181 AromaticContact CE2-CG 3.85Å; F44-F181 HydrophobicContact CE2-CG 3.85Å; F44-F181 HydrophobicContact CZ-CB 3.64Å; F44-F181 HydrophobicContact CZ-CG 4.12Å |
| 45 | G | 84 | Confident | 83.6 | Confident | 66 Ų | 66 | 73 Ų | 73 | 68% | 0.68 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -70.5 | -30.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A41 Q42 L43 | A41-G45 PolarHBondContact O-N 2.85Å; Q42-G45 PolarHBondContact O-N 3.17Å; Q42-G45 VanDerWaalsContact O-N 3.12Å; L43-G45 VanDerWaalsContact C-N 3.29Å; L43-G45 PolarHBondContact O-N 3.42Å |
| 46 | L | 83.8 | Confident | 83.5 | Confident | 136 Ų | 136 | 69 Ų | 69 | 71% | 0.712 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -86.9 | -39.6 | -179.7 | -70.3 | 172.4 | 0 | 0 | 0 | 113.2 | Q42 L43 | Q42-L46 WeakPolarHBondContact O-CG 3.28Å; Q42-L46 PolarHBondContact O-N 3.32Å; L43-L46 PolarHBondContact O-N 3Å |
| 47 | Y | 84.6 | Confident | 83.6 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 24% | 0.239 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -114.6 | -16.3 | -171.5 | -63.2 | -88.8 | 0 | 0 | 0 | 114.2 | L43 L53 G57 R60 L61 S64 | L43-Y47 HydrophobicContact CG-CD2 4.44Å; L43-Y47 WeakPolarHBondContact O-CD2 3.39Å; L43-Y47 PolarHBondContact O-N 3.37Å; Y47-L53 WeakPolarHBondContact O-CD1 3.38Å; Y47-G57 WeakPolarHBondContact O-CA 3.42Å; Y47-R60 HydrophobicContact CD1-CB 4.06Å; Y47-R60 HydrophobicContact CE1-CB 4.47Å; Y47-R60 PolarHBondContact O-NH2 3.21Å; Y47-L61 HydrophobicContact CD1-CB 3.9Å; Y47-L61 HydrophobicContact CD1-CD1 4.33Å; Y47-L61 HydrophobicContact CD2-CD1 3.7Å; Y47-L61 HydrophobicContact CE1-CB 4.31Å; Y47-L61 HydrophobicContact CE1-CD1 4.32Å; Y47-L61 HydrophobicContact CE2-CD1 3.72Å; Y47-L61 HydrophobicContact CG-CB 4.03Å; Y47-L61 HydrophobicContact CG-CD1 4.02Å; Y47-S64 WeakPolarHBondContact CE1-OG 3.41Å; Y47-S64 WeakPolarHBondContact OH-CB 3.48Å; Y47-S64 PolarHBondContact OH-OG 3.28Å |
| 48 | G | 85.8 | Confident | 83.9 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 19% | 0.186 | 36% | 0.357 | C | S | . | . | trans | -97.4 | 170.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F44 T52 | F44-G48 CarbonylContact O-C 3.31Å; F44-G48 WeakPolarHBondContact O-CA 3.43Å; F44-G48 PolarHBondContact O-N 3.14Å; G48-T52 CarbonylContact C-O 3.57Å; G48-T52 WeakPolarHBondContact CA-O 3.29Å | ||
| 49 | E | 83.6 | Confident | 83.4 | Confident | 108 Ų | 108 | 58.2 Ų | 58.2 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -132.2 | 133.4 | 175.3 | -70.8 | 173.2 | -163.3 | 0 | 0 | 108.5 | G51 T52 | E49-G51 PolarHBondContact O-N 2.89Å; E49-T52 PolarHBondContact N-O 2.55Å; E49-T52 PolarHBondContact O-N 3.15Å; E49-T52 PolarHBondContact O-OG1 3.18Å |
| 50 | N | 81.9 | Confident | 83.2 | Confident | 168 Ų | 168 | 57 Ų | 57 | 90% | 0.898 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 35.8 | -179.4 | -62.8 | -31 | 0 | 0 | 0 | 114.7 | T52 | N50-T52 PolarHBondContact O-N 3.24Š|
| 51 | G | 79.4 | Confident | 83.1 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 52% | 0.515 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 12.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E49 | E49-G51 PolarHBondContact O-N 2.89Š|
| 52 | T | 86.3 | Confident | 83 | Confident | 38 Ų | 38 | 53.8 Ų | 53.8 | 23% | 0.233 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -129.2 | 155.4 | 176 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | G48 E49 N50 L176 | G48-T52 CarbonylContact C-O 3.57Å; G48-T52 WeakPolarHBondContact CA-O 3.29Å; E49-T52 PolarHBondContact N-O 2.55Å; E49-T52 PolarHBondContact O-N 3.15Å; E49-T52 PolarHBondContact O-OG1 3.18Å; N50-T52 PolarHBondContact O-N 3.24Å; T52-L176 CarbonylContact C-O 3.25Å; T52-L176 VanDerWaalsContact CA-O 3.28Å; T52-L176 WeakPolarHBondContact CA-O 3.37Å; T52-L176 WeakPolarHBondContact CB-O 3.45Å |
| 53 | L | 86.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -104.4 | 108.4 | 179.7 | -170.6 | 72.1 | 0 | 0 | 0 | 109.2 | F44 Y47 L58 L61 L176 F181 | F44-L53 HydrophobicContact CD1-CB 4.38Å; F44-L53 HydrophobicContact CE1-CB 3.82Å; F44-L53 HydrophobicContact CZ-CB 3.89Å; Y47-L53 WeakPolarHBondContact O-CD1 3.38Å; L53-L58 HydrophobicContact CD2-CB 3.94Å; L53-L58 HydrophobicContact CD2-CD1 3.79Å; L53-L58 HydrophobicContact CD2-CG 4.49Å; L53-L58 HydrophobicContact CG-CB 4.18Å; L53-L61 HydrophobicContact CD2-CD2 4.2Å; L53-L176 HydrophobicContact CB-CB 4.19Å; L53-L176 HydrophobicContact CD2-CD1 4.4Å; L53-L176 PolarHBondContact N-O 2.95Å; L53-L176 PolarHBondContact O-N 3.4Å; L53-F181 HydrophobicContact CD2-CD2 3.74Å; L53-F181 HydrophobicContact CD2-CE2 3.99Å |
| 54 | T | 86.2 | Confident | 82 | Confident | 42 Ų | 42 | 56.4 Ų | 56.4 | 26% | 0.258 | 34% | 0.342 | S | S | . | . | trans | -70.1 | 163.7 | 176 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | G56 G57 L58 | T54-G56 PolarHBondContact O-N 3.19Å; T54-G57 CarbonylContact O-C 3.59Å; T54-G57 WeakPolarHBondContact O-CA 3.28Å; T54-G57 PolarHBondContact O-N 3.16Å; T54-G57 PolarHBondContact OG1-N 3.35Å; T54-G57 VanDerWaalsContact OG1-N 3.13Å; T54-L58 PolarHBondContact O-N 3.39Å | ||
| 55 | A | 76.2 | Confident | 81.3 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55 | -37.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A59 | A55-A59 WeakPolarHBondContact O-CB 3.45Å; A55-A59 PolarHBondContact O-N 2.81Å |
| 56 | G | 74.1 | Confident | 80.4 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T54 A59 R60 | T54-G56 PolarHBondContact O-N 3.19Å; G56-A59 PolarHBondContact O-N 3.06Å; G56-R60 WeakPolarHBondContact O-CG 3.28Å; G56-R60 PolarHBondContact O-N 3.27Å; G56-R60 VanDerWaalsContact O-N 3.11Å |
| 57 | G | 82.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y47 T54 R60 L61 | Y47-G57 WeakPolarHBondContact O-CA 3.42Å; T54-G57 CarbonylContact O-C 3.59Å; T54-G57 WeakPolarHBondContact O-CA 3.28Å; T54-G57 PolarHBondContact O-N 3.16Å; T54-G57 PolarHBondContact OG1-N 3.35Å; T54-G57 VanDerWaalsContact OG1-N 3.13Å; G57-R60 PolarHBondContact O-N 3.35Å; G57-L61 PolarHBondContact O-N 3.49Å |
| 58 | L | 83.9 | Confident | 78.2 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 174.5 | -179.6 | 68.3 | 0 | 0 | 0 | 111 | L53 T54 R60 L61 L62 L165 L176 F181 | L53-L58 HydrophobicContact CD2-CB 3.94Å; L53-L58 HydrophobicContact CD2-CD1 3.79Å; L53-L58 HydrophobicContact CD2-CG 4.49Å; L53-L58 HydrophobicContact CG-CB 4.18Å; T54-L58 PolarHBondContact O-N 3.39Å; L58-R60 VanDerWaalsContact C-N 3.32Å; L58-R60 PolarHBondContact O-N 3.09Å; L58-L61 HydrophobicContact CD1-CD2 4.46Å; L58-L61 WeakPolarHBondContact O-CB 3.24Å; L58-L61 PolarHBondContact O-N 3.09Å; L58-L61 VanDerWaalsContact O-N 3.16Å; L58-L62 HydrophobicContact CD1-CD1 4.34Å; L58-L62 HydrophobicContact CD1-CD2 4.47Å; L58-L62 HydrophobicContact CD1-CG 4.2Å; L58-L62 HydrophobicContact CD2-CD1 4.47Å; L58-L62 HydrophobicContact CG-CD1 4Å; L58-L62 HydrophobicContact CG-CG 4.23Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.41Å; L58-L62 PolarHBondContact O-N 3.45Å; L58-L165 HydrophobicContact CD2-CD1 3.78Å; L58-L165 HydrophobicContact CD2-CD2 4.26Å; L58-L165 HydrophobicContact CD2-CG 4.05Å; L58-L176 HydrophobicContact CD1-CD1 4.43Å; L58-L176 HydrophobicContact CD2-CD1 3.98Å; L58-F181 HydrophobicContact CD1-CD2 4.33Å; L58-F181 HydrophobicContact CD1-CE2 4Å |
| 59 | A | 75.9 | Confident | 76.5 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | A55 G56 H63 | A55-A59 WeakPolarHBondContact O-CB 3.45Å; A55-A59 PolarHBondContact O-N 2.81Å; G56-A59 PolarHBondContact O-N 3.06Å; A59-H63 VanDerWaalsContact O-CB 3.29Å; A59-H63 WeakPolarHBondContact O-CB 3.24Å; A59-H63 PolarHBondContact O-N 2.81Å |
| 60 | R | 79.3 | Confident | 74.5 | Confident | 123 Ų | 123 | 60.2 Ų | 60.2 | 46% | 0.464 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 174.7 | -72.2 | -172.2 | -59.7 | -100.2 | 5.5 | 112.4 | Y47 G56 G57 L58 H63 S64 | Y47-R60 HydrophobicContact CD1-CB 4.06Å; Y47-R60 HydrophobicContact CE1-CB 4.47Å; Y47-R60 PolarHBondContact O-NH2 3.21Å; G56-R60 WeakPolarHBondContact O-CG 3.28Å; G56-R60 PolarHBondContact O-N 3.27Å; G56-R60 VanDerWaalsContact O-N 3.11Å; G57-R60 PolarHBondContact O-N 3.35Å; L58-R60 VanDerWaalsContact C-N 3.32Å; L58-R60 PolarHBondContact O-N 3.09Å; R60-H63 PolarHBondContact O-N 3.18Å; R60-S64 PolarHBondContact O-N 3.09Å; R60-S64 PolarHBondContact O-OG 3.2Å |
| 61 | L | 84.8 | Confident | 72.2 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.5 | -52 | 176.4 | 177.5 | 70 | 0 | 0 | 0 | 111 | L43 Y47 L53 G57 L58 H63 S64 L65 F181 | L43-L61 HydrophobicContact CD1-CD1 3.96Å; L43-L61 HydrophobicContact CD1-CD2 4.24Å; L43-L61 HydrophobicContact CD2-CD1 4.3Å; L43-L61 HydrophobicContact CD2-CD2 3.82Å; L43-L61 HydrophobicContact CG-CD1 4.02Å; L43-L61 HydrophobicContact CG-CD2 4.36Å; Y47-L61 HydrophobicContact CD1-CB 3.9Å; Y47-L61 HydrophobicContact CD1-CD1 4.33Å; Y47-L61 HydrophobicContact CD2-CD1 3.7Å; Y47-L61 HydrophobicContact CE1-CB 4.31Å; Y47-L61 HydrophobicContact CE1-CD1 4.32Å; Y47-L61 HydrophobicContact CE2-CD1 3.72Å; Y47-L61 HydrophobicContact CG-CB 4.03Å; Y47-L61 HydrophobicContact CG-CD1 4.02Å; L53-L61 HydrophobicContact CD2-CD2 4.2Å; G57-L61 PolarHBondContact O-N 3.49Å; L58-L61 HydrophobicContact CD1-CD2 4.46Å; L58-L61 WeakPolarHBondContact O-CB 3.24Å; L58-L61 PolarHBondContact O-N 3.09Å; L58-L61 VanDerWaalsContact O-N 3.16Å; L61-H63 VanDerWaalsContact C-N 3.26Å; L61-H63 PolarHBondContact O-N 3Å; L61-S64 PolarHBondContact O-N 3.09Å; L61-S64 VanDerWaalsContact O-N 3.08Å; L61-S64 PolarHBondContact O-OG 3.41Å; L61-L65 HydrophobicContact CD1-CD1 4.24Å; L61-L65 HydrophobicContact CG-CD1 4.05Å; L61-L65 WeakPolarHBondContact O-CG 3.46Å; L61-L65 PolarHBondContact O-N 2.97Å; L61-F181 HydrophobicContact CD2-CE1 4.5Å; L61-F181 HydrophobicContact CD2-CE2 3.48Å; L61-F181 VanDerWaalsContact CD2-CE2 3.48Å; L61-F181 HydrophobicContact CD2-CZ 3.43Å; L61-F181 VanDerWaalsContact CD2-CZ 3.43Å |
| 62 | L | 79.8 | Confident | 69.9 | Low | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 178.1 | -65.1 | 178.4 | 0 | 0 | 0 | 111.3 | L58 L65 G66 L67 L188 | L58-L62 HydrophobicContact CD1-CD1 4.34Å; L58-L62 HydrophobicContact CD1-CD2 4.47Å; L58-L62 HydrophobicContact CD1-CG 4.2Å; L58-L62 HydrophobicContact CD2-CD1 4.47Å; L58-L62 HydrophobicContact CG-CD1 4Å; L58-L62 HydrophobicContact CG-CG 4.23Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.41Å; L58-L62 PolarHBondContact O-N 3.45Å; L62-L65 CarbonylContact O-C 3.58Å; L62-L65 PolarHBondContact O-N 3.33Å; L62-G66 PolarHBondContact O-N 3.41Å; L62-L67 HydrophobicContact CB-CB 4.27Å; L62-L67 HydrophobicContact CD2-CB 4.46Å; L62-L67 HydrophobicContact CD2-CD1 3.97Å; L62-L67 WeakPolarHBondContact O-CA 3.41Å; L62-L67 WeakPolarHBondContact O-CB 3.37Å; L62-L67 PolarHBondContact O-N 2.88Å; L62-L188 HydrophobicContact CD2-CD1 4.4Å; L62-L188 HydrophobicContact CD2-CD2 3.34Å |
| 63 | H | 76.8 | Confident | 67.1 | Low | 136 Ų | 136 | 67.5 Ų | 67.5 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63 | -43.8 | 174.3 | -176.2 | -85 | 0 | 0 | 0 | 112.5 | A59 R60 L61 L65 G66 | A59-H63 VanDerWaalsContact O-CB 3.29Å; A59-H63 WeakPolarHBondContact O-CB 3.24Å; A59-H63 PolarHBondContact O-N 2.81Å; R60-H63 PolarHBondContact O-N 3.18Å; L61-H63 VanDerWaalsContact C-N 3.26Å; L61-H63 PolarHBondContact O-N 3Å; H63-L65 PolarHBondContact O-N 3.49Å; H63-G66 PolarHBondContact O-N 3.33Å |
| 64 | S | 78.4 | Confident | 64.1 | Low | 63 Ų | 63 | 79 Ų | 79 | 44% | 0.441 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.3 | -23.7 | 176.5 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | Y47 R60 L61 G66 | Y47-S64 WeakPolarHBondContact CE1-OG 3.41Å; Y47-S64 WeakPolarHBondContact OH-CB 3.48Å; Y47-S64 PolarHBondContact OH-OG 3.28Å; R60-S64 PolarHBondContact O-N 3.09Å; R60-S64 PolarHBondContact O-OG 3.2Å; L61-S64 PolarHBondContact O-N 3.09Å; L61-S64 VanDerWaalsContact O-N 3.08Å; L61-S64 PolarHBondContact O-OG 3.41Å; S64-G66 VanDerWaalsContact C-N 3.29Å |
| 65 | L | 74.5 | Confident | 61.4 | Low | 69 Ų | 69 | 84.9 Ų | 84.9 | 36% | 0.361 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 2.2 | 173.7 | -65 | 171.5 | 0 | 0 | 0 | 112.9 | L61 L62 H63 L67 I192 | L61-L65 HydrophobicContact CD1-CD1 4.24Å; L61-L65 HydrophobicContact CG-CD1 4.05Å; L61-L65 WeakPolarHBondContact O-CG 3.46Å; L61-L65 PolarHBondContact O-N 2.97Å; L62-L65 CarbonylContact O-C 3.58Å; L62-L65 PolarHBondContact O-N 3.33Å; H63-L65 PolarHBondContact O-N 3.49Å; L65-L67 VanDerWaalsContact C-N 3.25Å; L65-L67 HydrophobicContact CB-CD1 4.09Å; L65-L67 HydrophobicContact CB-CG 4.11Å; L65-L67 HydrophobicContact CD1-CD1 4.44Å; L65-L67 PolarHBondContact O-N 3.29Å; L65-I192 HydrophobicContact CD2-CD1 4.46Å |
| 66 | G | 65.5 | Low | 59 | Low | 39 Ų | 39 | 85.6 Ų | 85.6 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 4.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | L62 H63 S64 G68 | L62-G66 PolarHBondContact O-N 3.41Å; H63-G66 PolarHBondContact O-N 3.33Å; S64-G66 VanDerWaalsContact C-N 3.29Å; G66-G68 VanDerWaalsContact C-N 3.31Å; G66-G68 PolarHBondContact O-N 3.32Å |
| 67 | L | 69.1 | Low | 56.8 | Low | 10 Ų | 10 | 93 Ų | 93 | 5% | 0.052 | 50% | 0.5 | C | S | . | . | trans | -88.5 | 9.6 | -176.9 | -56.2 | 174 | 0 | 0 | 0 | 113.3 | L62 L65 L188 Q191 I192 C197 | L62-L67 HydrophobicContact CB-CB 4.27Å; L62-L67 HydrophobicContact CD2-CB 4.46Å; L62-L67 HydrophobicContact CD2-CD1 3.97Å; L62-L67 WeakPolarHBondContact O-CA 3.41Å; L62-L67 WeakPolarHBondContact O-CB 3.37Å; L62-L67 PolarHBondContact O-N 2.88Å; L65-L67 VanDerWaalsContact C-N 3.25Å; L65-L67 HydrophobicContact CB-CD1 4.09Å; L65-L67 HydrophobicContact CB-CG 4.11Å; L65-L67 HydrophobicContact CD1-CD1 4.44Å; L65-L67 PolarHBondContact O-N 3.29Å; L67-L188 HydrophobicContact CD1-CD2 3.85Å; L67-Q191 HydrophobicContact CD2-CB 4.13Å; L67-I192 HydrophobicContact CD1-CD1 4.35Å; L67-I192 HydrophobicContact CD1-CG1 4.06Å; L67-I192 HydrophobicContact CD2-CG1 4.05Å; L67-I192 HydrophobicContact CG-CG1 4.33Å; L67-C197 HydrophobicContact CD2-CB 3.52Å | ||
| 68 | G | 53 | Low | 54.2 | Low | 36 Ų | 36 | 102.9 Ų | 102.9 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | trans | -101.4 | 4.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | G66 V70 | G66-G68 VanDerWaalsContact C-N 3.31Å; G66-G68 PolarHBondContact O-N 3.32Å; G68-V70 PolarHBondContact O-N 3.12Å | ||
| 69 | R | 48.8 | Very low | 51.4 | Low | 231 Ų | 231 | 105.7 Ų | 105.7 | 87% | 0.872 | 58% | 0.576 | S | S | * | * | trans | -88.6 | 95.9 | -178.1 | -81.3 | -173.3 | 175.2 | 176.3 | 1.1 | 111.9 | ||||
| 70 | V | 42.9 | Very low | 49.1 | Very low | 95 Ų | 95 | 109 Ų | 109 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | trans | -100.9 | 107.5 | 159.8 | -175 | 0 | 0 | 0 | 0 | 107.9 | G68 G72 N160 | G68-V70 PolarHBondContact O-N 3.12Å; V70-G72 PolarHBondContact O-N 3.48Å; V70-G72 VanDerWaalsContact O-N 3.16Å; V70-N160 HydrophobicContact CG2-CB 4.3Å | ||
| 71 | Q | 34.1 | Very low | 46.7 | Very low | 183 Ų | 183 | 111.5 Ų | 111.5 | 86% | 0.855 | 62% | 0.615 | S | S | * | * | trans | -64.7 | 111.9 | 160.9 | -86.3 | -179.9 | 11 | 0 | 0 | 107.3 | L73 | Q71-L73 PolarHBondContact O-N 3.13Š| ||
| 72 | G | 30.9 | Very low | 44 | Very low | 73 Ų | 73 | 118.1 Ų | 118.1 | 75% | 0.753 | 66% | 0.655 | S | S | * | * | trans | -64.4 | 95.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V70 R74 | V70-G72 PolarHBondContact O-N 3.48Å; V70-G72 VanDerWaalsContact O-N 3.16Å; G72-R74 VanDerWaalsContact C-N 3.35Å; G72-R74 PolarHBondContact O-N 2.63Å | ||
| 73 | L | 25.8 | Very low | 41.5 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 81% | 0.806 | 69% | 0.694 | S | S | * | * | trans | -70.5 | 95.3 | 165.6 | -125.1 | 138.3 | 0 | 0 | 0 | 107.2 | Q71 L75 | Q71-L73 PolarHBondContact O-N 3.13Å; L73-L75 PolarHBondContact O-N 2.89Å | ||
| 74 | R | 25 | Very low | 39 | Very low | 242 Ų | 242 | 127.2 Ų | 127.2 | 91% | 0.913 | 71% | 0.71 | S | S | * | * | trans | -60.7 | 99.8 | 166.4 | -103.2 | -175.4 | 173.2 | 164.6 | -0.9 | 107.8 | G72 G76 | G72-R74 VanDerWaalsContact C-N 3.35Å; G72-R74 PolarHBondContact O-N 2.63Å; R74-G76 VanDerWaalsContact C-N 3.3Å; R74-G76 PolarHBondContact O-N 3.41Å | ||
| 75 | L | 28.1 | Very low | 36.6 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | trans | -65 | 94.8 | 158.1 | -88.8 | 138.6 | 0 | 0 | 0 | 107.7 | L73 Q77 | L73-L75 PolarHBondContact O-N 2.89Å; L75-Q77 PolarHBondContact O-N 2.83Å | ||
| 76 | G | 26.5 | Very low | 34.3 | Very low | 65 Ų | 65 | 130.3 Ų | 130.3 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | -65.5 | 109.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109 | R74 H78 | R74-G76 VanDerWaalsContact C-N 3.3Å; R74-G76 PolarHBondContact O-N 3.41Å; G76-H78 PolarHBondContact O-N 3.48Å | ||
| 77 | Q | 28.6 | Very low | 32.8 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | trans | -58 | 119.5 | 165.7 | -83.9 | 175.7 | -35.1 | 0 | 0 | 109.2 | L75 G79 | L75-Q77 PolarHBondContact O-N 2.83Å; Q77-G79 PolarHBondContact O-N 3.3Å | ||
| 78 | H | 27.4 | Very low | 30.9 | Very low | 206 Ų | 206 | 139.5 Ų | 139.5 | 95% | 0.954 | 80% | 0.802 | S | S | * | * | trans | -65.6 | 116.8 | 164.8 | -92.7 | -61.6 | 0 | 0 | 0 | 109.9 | G76 | G76-H78 PolarHBondContact O-N 3.48Š| ||
| 79 | G | 24.1 | Very low | 29.6 | Very low | 64 Ų | 64 | 142.6 Ų | 142.6 | 66% | 0.66 | 82% | 0.824 | S | S | * | * | trans | -152.3 | 146.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q77 | Q77-G79 PolarHBondContact O-N 3.3Š| ||
| 80 | P | 27.1 | Very low | 28.6 | Very low | 128 Ų | 128 | 136 Ų | 136 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -85.2 | 157.8 | -134.8 | 31.2 | -35.2 | 0 | 0 | 0 | 117 | ||||
| 81 | L | 30.2 | Very low | 27.8 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | trans | -34.9 | 118.8 | 170.8 | -77.3 | 139.8 | 0 | 0 | 0 | 115.9 | ||||
| 82 | T | 26.9 | Very low | 27.4 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | trans | -156.3 | 133.5 | 142.3 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 83 | G | 27.1 | Very low | 27.1 | Very low | 85 Ų | 85 | 140.2 Ų | 140.2 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | trans | 121.5 | 95.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 84 | R | 26 | Very low | 27.2 | Very low | 253 Ų | 253 | 138.6 Ų | 138.6 | 96% | 0.955 | 83% | 0.832 | S | S | * | * | trans | -73.7 | 134.6 | 175.8 | -176.7 | 172.3 | -172.1 | 125.5 | -5.2 | 112.4 | ||||
| 85 | A | 26.6 | Very low | 27.1 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -169.8 | 143.4 | 146 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 86 | A | 26.3 | Very low | 26.8 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | trans | -88 | 174.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 87 | P | 33.7 | Very low | 26.8 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 80% | 0.799 | 84% | 0.837 | S | S | * | * | trans | -93.7 | 165 | -166.9 | 38.2 | -32.7 | 0 | 0 | 0 | 113.8 | ||||
| 88 | P | 30 | Very low | 26.6 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | trans | -137.3 | 131.9 | 135.3 | 28.5 | -10.1 | 0 | 0 | 0 | 111.7 | ||||
| 89 | A | 24.7 | Very low | 26.5 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | 88.6 | 132.7 | 86.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 90 | A | 29.3 | Very low | 26.8 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | trans | -58.4 | 152.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 91 | N | 25.4 | Very low | 26.7 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 93% | 0.925 | 84% | 0.839 | S | S | * | * | trans | -157.2 | 143.5 | 136.4 | -95.3 | -19.4 | 0 | 0 | 0 | 112.5 | ||||
| 92 | N | 26.3 | Very low | 26.6 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 83% | 0.834 | 84% | 0.835 | S | S | * | * | trans | -94.1 | 126.4 | -174.7 | -172.9 | 17.5 | 0 | 0 | 0 | 109.2 | ||||
| 93 | S | 24.7 | Very low | 26.4 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | -169.8 | 125.1 | 154.3 | 52 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 94 | T | 26.6 | Very low | 26.8 | Very low | 120 Ų | 120 | 143 Ų | 143 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -36 | 136 | 163.4 | 47.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 95 | H | 24.4 | Very low | 26.8 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -172.7 | 122.6 | 140.8 | -100.2 | -69 | 0 | 0 | 0 | 112.3 | ||||
| 96 | R | 21.1 | Very low | 27.2 | Very low | 220 Ų | 220 | 138.5 Ų | 138.5 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | 36.7 | 127.2 | 140.6 | -148.2 | 175 | -168.3 | 149.7 | 1.6 | 119.8 | Q98 | R96-Q98 PolarHBondContact O-N 2.84Š| ||
| 97 | P | 25.6 | Very low | 27.5 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 119.6 | 178.3 | 30.5 | -30.9 | 0 | 0 | 0 | 110.8 | ||
| 98 | Q | 24.7 | Very low | 27.2 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 136.1 | 162.9 | -72 | -178.5 | -9 | 0 | 0 | 108.4 | R96 | R96-Q98 PolarHBondContact O-N 2.84Š|
| 99 | N | 25.3 | Very low | 27.3 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -49 | 137.2 | 167.9 | -89.2 | -19.5 | 0 | 0 | 0 | 110.9 | E101 | N99-E101 PolarHBondContact O-N 2.92Š|
| 100 | P | 30.2 | Very low | 27.4 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -83.1 | 114.2 | 161.7 | 31.1 | -25.1 | 0 | 0 | 0 | 108.8 | ||||
| 101 | E | 24.9 | Very low | 27.4 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -58.3 | 143.8 | 165 | -72.9 | 177.9 | 134.1 | 0 | 0 | 111.1 | N99 S103 | N99-E101 PolarHBondContact O-N 2.92Å; E101-S103 PolarHBondContact O-N 3.44Å | ||
| 102 | L | 28.6 | Very low | 27.8 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -66.5 | 105.4 | 179 | -147.1 | 89.9 | 0 | 0 | 0 | 109.8 | V104 | L102-V104 HydrophobicContact CD2-CG2 3.88Å; L102-V104 HydrophobicContact CG-CG2 4.46Å; L102-V104 PolarHBondContact O-N 3.4Å; L102-V104 VanDerWaalsContact O-N 3.16Å | ||
| 103 | S | 24 | Very low | 27.8 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | -80 | 97.5 | 171.5 | 73.4 | 0 | 0 | 0 | 0 | 110.2 | E101 D105 | E101-S103 PolarHBondContact O-N 3.44Å; S103-D105 VanDerWaalsContact C-N 3.27Å; S103-D105 PolarHBondContact O-N 3.03Å; S103-D105 VanDerWaalsContact O-N 3.14Å | ||
| 104 | V | 34.2 | Very low | 28.5 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 65% | 0.648 | 81% | 0.805 | S | S | * | * | trans | -82.8 | 67.8 | 172.3 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | L102 | L102-V104 HydrophobicContact CD2-CG2 3.88Å; L102-V104 HydrophobicContact CG-CG2 4.46Å; L102-V104 PolarHBondContact O-N 3.4Å; L102-V104 VanDerWaalsContact O-N 3.16Å | ||
| 105 | D | 27.2 | Very low | 28.8 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -142.5 | 36.4 | -178.6 | -77.4 | -47 | 0 | 0 | 0 | 113.6 | S103 | S103-D105 VanDerWaalsContact C-N 3.27Å; S103-D105 PolarHBondContact O-N 3.03Å; S103-D105 VanDerWaalsContact O-N 3.14Å | ||
| 106 | V | 34.5 | Very low | 29 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -103.8 | -7.9 | 170.9 | 179 | 0 | 0 | 0 | 0 | 112.4 | ||
| 107 | W | 31.3 | Very low | 29.3 | Very low | 218 Ų | 218 | 139.6 Ų | 139.6 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -103.7 | -1 | -172.8 | -66.4 | 96 | 0 | 0 | 0 | 115.4 | ||
| 108 | A | 28.2 | Very low | 29.2 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -104.2 | 19.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 109 | G | 32.6 | Very low | 29.4 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -123.1 | 57.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 110 | M | 26.1 | Very low | 29.5 | Very low | 180 Ų | 180 | 136 Ų | 136 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -141.9 | 133.4 | 156.3 | -85.9 | -124.4 | -170.8 | 0 | 0 | 111.1 | ||
| 111 | P | 28.8 | Very low | 29.3 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -75.1 | 131.7 | -169.7 | 29.9 | -33.6 | 0 | 0 | 0 | 112.1 | ||||
| 112 | L | 34.1 | Very low | 29.4 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 97% | 0.969 | 80% | 0.802 | S | S | * | * | trans | -79.7 | 121.3 | 165.1 | -71.3 | 160.2 | 0 | 0 | 0 | 109.1 | ||||
| 113 | G | 26.1 | Very low | 29.2 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | -175.3 | 137.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 114 | P | 41 | Very low | 29.3 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -92.7 | 164.8 | -160.6 | 37.2 | -34.7 | 0 | 0 | 0 | 113.7 | ||||
| 115 | S | 32.2 | Very low | 28.9 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | 81.9 | 131.7 | 163.5 | 76 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 116 | G | 28.4 | Very low | 29 | Very low | 60 Ų | 60 | 140.2 Ų | 140.2 | 62% | 0.619 | 82% | 0.817 | S | S | * | * | trans | 117.6 | 72.7 | 146.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 117 | W | 27.2 | Very low | 28.8 | Very low | 261 Ų | 261 | 142.9 Ų | 142.9 | 99% | 0.989 | 82% | 0.821 | S | S | * | * | trans | -149.4 | 96 | 136.4 | -78.6 | 101.3 | 0 | 0 | 0 | 107.7 | ||||
| 118 | G | 24.2 | Very low | 28.5 | Very low | 61 Ų | 61 | 140.3 Ų | 140.3 | 63% | 0.629 | 82% | 0.823 | S | S | * | * | trans | -77.5 | 160.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 119 | D | 29 | Very low | 28.6 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | 51.2 | 102.8 | 156.8 | -55.3 | -29.6 | 0 | 0 | 0 | 117.7 | ||||
| 120 | L | 26.1 | Very low | 28.7 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | trans | -149.3 | 109.8 | 130.6 | -134 | 83.5 | 0 | 0 | 0 | 111.5 | ||||
| 121 | E | 26.9 | Very low | 28.8 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | 59.9 | 108.1 | 149.7 | -67.4 | -134 | 107.1 | 0 | 0 | 121.8 | ||||
| 122 | E | 27.2 | Very low | 28.9 | Very low | 193 Ų | 193 | 145 Ų | 145 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -67.4 | 110.9 | 158.2 | -174.1 | 169 | 138.9 | 0 | 0 | 111.5 | ||||
| 123 | S | 24.6 | Very low | 28.6 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -114.2 | 83.9 | 166 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 124 | K | 26 | Very low | 28.7 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 90% | 0.9 | 81% | 0.813 | S | S | * | * | trans | 16.3 | 103.9 | 144.4 | -156.2 | 169.9 | -170 | 172.7 | 0 | 117.9 | ||||
| 125 | A | 26.3 | Very low | 28.6 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | -115.4 | 147.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 126 | P | 28.5 | Very low | 28.9 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -75.5 | 140.7 | -168 | 29.7 | -32.7 | 0 | 0 | 0 | 113.1 | ||||
| 127 | H | 29.5 | Very low | 29.1 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | trans | -70.5 | 132.7 | 174.6 | -68.7 | -76.3 | 0 | 0 | 0 | 113 | ||||
| 128 | L | 25.6 | Very low | 29.7 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -158 | 157.8 | 152.8 | -103.8 | 130.5 | 0 | 0 | 0 | 109.4 | ||||
| 129 | P | 29.8 | Very low | 30.6 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | -97.7 | 154.1 | -116.6 | 26.2 | -10.7 | 0 | 0 | 0 | 114.4 | G131 | P129-G131 PolarHBondContact O-N 3.05Š| |||
| 130 | R | 34.8 | Very low | 31.2 | Very low | 260 Ų | 260 | 139.5 Ų | 139.5 | 98% | 0.981 | 79% | 0.791 | S | S | * | * | trans | -61 | 114.5 | 167.2 | -82.4 | 179.5 | 168.5 | 112.3 | -2.2 | 110.6 | ||||
| 131 | G | 28.1 | Very low | 31.7 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | trans | -114.5 | 150.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110 | P129 | P129-G131 PolarHBondContact O-N 3.05Š| ||
| 132 | P | 30.9 | Very low | 32.2 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -71 | 143.5 | -179.6 | 30.5 | -31.8 | 0 | 0 | 0 | 110.7 | ||
| 133 | A | 28.3 | Very low | 33.1 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 138.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S135 | A133-S135 PolarHBondContact O-N 3.29Š|
| 134 | P | 28 | Very low | 33.8 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 121.4 | 160.6 | 30.4 | -28 | 0 | 0 | 0 | 108.8 | G136 | P134-G136 PolarHBondContact O-N 2.9Š|
| 135 | S | 39.9 | Very low | 34.4 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -71.6 | 114.9 | 171.2 | 42.5 | 0 | 0 | 0 | 0 | 110.2 | A133 | A133-S135 PolarHBondContact O-N 3.29Š|
| 136 | G | 38 | Very low | 35 | Very low | 77 Ų | 77 | 132.6 Ų | 132.6 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | trans | 140 | 40.7 | 167 | 0 | 0 | 0 | 0 | 0 | 117.4 | P134 | P134-G136 PolarHBondContact O-N 2.9Š| ||
| 137 | L | 32.3 | Very low | 35.3 | Very low | 131 Ų | 131 | 134 Ų | 134 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | trans | -125.4 | 128.4 | 170.2 | -81.8 | 165.2 | 0 | 0 | 0 | 110.9 | ||||
| 138 | D | 39.1 | Very low | 35.5 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | trans | -61 | 144.5 | -173.6 | -166.9 | 24.4 | 0 | 0 | 0 | 112.2 | F140 H141 | D138-F140 PolarHBondContact O-N 3.22Å; D138-H141 PolarHBondContact O-N 2.99Å | ||
| 139 | L | 44.6 | Very low | 35.8 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -56.5 | -27.8 | -176.3 | -164.7 | 101.4 | 0 | 0 | 0 | 111.6 | H141 R142 L143 | L139-H141 VanDerWaalsContact C-N 3.34Å; L139-H141 PolarHBondContact O-N 3.08Å; L139-R142 PolarHBondContact O-N 2.96Å; L139-L143 PolarHBondContact O-N 3.43Å |
| 140 | F | 40.4 | Very low | 36.3 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 64% | 0.64 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -65.3 | -33 | 176.8 | -144.3 | -92.8 | 0 | 0 | 0 | 113.2 | D138 L143 | D138-F140 PolarHBondContact O-N 3.22Å; F140-L143 WeakPolarHBondContact O-CB 3.25Å; F140-L143 PolarHBondContact O-N 3.11Å |
| 141 | H | 36.6 | Very low | 36.2 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 52% | 0.523 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -81.5 | -22.2 | 176.4 | -115.4 | 24.2 | 0 | 0 | 0 | 113.1 | D138 L139 L143 | D138-H141 PolarHBondContact O-N 2.99Å; L139-H141 VanDerWaalsContact C-N 3.34Å; L139-H141 PolarHBondContact O-N 3.08Å; H141-L143 VanDerWaalsContact C-N 3.3Å |
| 142 | R | 38.9 | Very low | 36.4 | Very low | 181 Ų | 181 | 126 Ų | 126 | 68% | 0.683 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -70.5 | -28.2 | 166.9 | -78.9 | -174.5 | 176.9 | -152 | -1.4 | 112.2 | L139 L145 L146 | L139-R142 PolarHBondContact O-N 2.96Å; R142-L145 PolarHBondContact O-N 3.42Å; R142-L146 VanDerWaalsContact O-CD1 3.29Å; R142-L146 WeakPolarHBondContact O-CD1 3.38Å |
| 143 | L | 45 | Very low | 36.9 | Very low | 106 Ų | 106 | 128 Ų | 128 | 56% | 0.555 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -73 | -27.2 | 177.1 | -104.5 | 140.7 | 0 | 0 | 0 | 113.7 | L139 F140 H141 L145 | L139-L143 PolarHBondContact O-N 3.43Å; F140-L143 WeakPolarHBondContact O-CB 3.25Å; F140-L143 PolarHBondContact O-N 3.11Å; H141-L143 VanDerWaalsContact C-N 3.3Å; L143-L145 VanDerWaalsContact C-N 3.29Å; L143-L145 PolarHBondContact O-N 2.82Å |
| 144 | L | 40.5 | Very low | 37.6 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -5.4 | 174.2 | -77.5 | 168.2 | 0 | 0 | 0 | 114.1 | ||
| 145 | L | 36.9 | Very low | 38.5 | Very low | 149 Ų | 149 | 130 Ų | 130 | 78% | 0.78 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -117.1 | 1 | -176.9 | -96.3 | 161.3 | 0 | 0 | 0 | 114 | R142 L143 D147 | R142-L145 PolarHBondContact O-N 3.42Å; L143-L145 VanDerWaalsContact C-N 3.29Å; L143-L145 PolarHBondContact O-N 2.82Å; L145-D147 VanDerWaalsContact C-N 3.3Å; L145-D147 PolarHBondContact O-N 3.39Å; L145-D147 VanDerWaalsContact O-N 3.07Å |
| 146 | L | 38.9 | Very low | 39.1 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 63% | 0.634 | 70% | 0.695 | S | S | * | * | trans | -79.2 | 88.2 | 164.9 | -92.9 | 95.8 | 0 | 0 | 0 | 108.9 | R142 H148 | R142-L146 VanDerWaalsContact O-CD1 3.29Å; R142-L146 WeakPolarHBondContact O-CD1 3.38Å; L146-H148 PolarHBondContact O-N 3.18Å | ||
| 147 | D | 34.8 | Very low | 40 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | trans | -65.7 | 79 | 156.8 | -146.6 | 2.2 | 0 | 0 | 0 | 107.3 | L145 | L145-D147 VanDerWaalsContact C-N 3.3Å; L145-D147 PolarHBondContact O-N 3.39Å; L145-D147 VanDerWaalsContact O-N 3.07Å | ||
| 148 | H | 33.3 | Very low | 41.7 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 70% | 0.704 | 66% | 0.663 | S | S | * | * | trans | -120.1 | 86.3 | 165.9 | -94.9 | 39.5 | 0 | 0 | 0 | 106.7 | L146 L150 | L146-H148 PolarHBondContact O-N 3.18Å; H148-L150 PolarHBondContact O-N 3.5Å | ||
| 149 | S | 32 | Very low | 43.2 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | trans | 32.5 | 54.9 | 139.7 | -165.7 | 0 | 0 | 0 | 0 | 115.1 | A151 | S149-A151 PolarHBondContact O-N 3.18Š| ||
| 150 | L | 40.3 | Very low | 44.4 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 81% | 0.806 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 36.7 | 170.4 | -153.7 | 126.5 | 0 | 0 | 0 | 109.3 | H148 L154 | H148-L150 PolarHBondContact O-N 3.5Å; L150-L154 HydrophobicContact CD2-CD1 4.1Å |
| 151 | A | 32.8 | Very low | 45.9 | Very low | 78 Ų | 78 | 115.1 Ų | 115.1 | 65% | 0.645 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -9.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S149 | S149-A151 PolarHBondContact O-N 3.18Š|
| 152 | D | 33.4 | Very low | 47.5 | Very low | 133 Ų | 133 | 111.7 Ų | 111.7 | 71% | 0.711 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -140.1 | 3 | -170.6 | -85.8 | -39.6 | 0 | 0 | 0 | 117.7 | ||
| 153 | H | 40.8 | Very low | 49.1 | Very low | 174 Ų | 174 | 107.7 Ų | 107.7 | 81% | 0.806 | 58% | 0.579 | S | S | * | * | trans | -135.5 | 43.9 | -174.3 | -77.1 | -19.5 | 0 | 0 | 0 | 117 | ||||
| 154 | L | 42.8 | Very low | 50.6 | Low | 126 Ų | 126 | 102.7 Ų | 102.7 | 66% | 0.66 | 55% | 0.553 | S | S | * | * | trans | -121.5 | 72.5 | 167.6 | -73.9 | 164.9 | 0 | 0 | 0 | 110.3 | L150 | L150-L154 HydrophobicContact CD2-CD1 4.1Š| ||
| 155 | N | 48.4 | Very low | 52.3 | Low | 121 Ų | 121 | 96.6 Ų | 96.6 | 65% | 0.647 | 52% | 0.521 | S | S | * | . | trans | -74.9 | 133.3 | 165.7 | -85.2 | 0.2 | 0 | 0 | 0 | 109 | D157 | N155-D157 WeakPolarHBondContact CB-OD2 3.45Å; N155-D157 PolarHBondContact O-N 3.48Å | ||
| 156 | E | 50.8 | Low | 54.2 | Low | 157 Ų | 157 | 93.8 Ų | 93.8 | 73% | 0.734 | 51% | 0.51 | S | S | * | . | S | Bend | 17.7 | 0 | 124.1 | -61.7 | -80.3 | 134 | 0 | 0 | 121.4 | V196 | E156-V196 WeakPolarHBondContact O-CG1 3.31Š| |
| 157 | D | 57.8 | Low | 55.8 | Low | 99 Ų | 99 | 92.4 Ų | 92.4 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | trans | -110.1 | 134 | -168.1 | -67.3 | -44.4 | 0 | 0 | 0 | 110.5 | N155 L159 | N155-D157 WeakPolarHBondContact CB-OD2 3.45Å; N155-D157 PolarHBondContact O-N 3.48Å; D157-L159 PolarHBondContact O-N 3.48Å | ||
| 158 | C | 67.5 | Low | 57.9 | Low | 42 Ų | 42 | 89.1 Ų | 89.1 | 28% | 0.284 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 118.2 | 170.6 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | C197 | C158-C197 WeakPolarHBondContact CA-SG 3.26Å; C158-C197 HydrophobicContact CB-CB 3.86Å; C158-C197 WeakPolarHBondContact CB-SG 3.37Å; C158-C197 WeakPolarHBondContact SG-CA 3.36Å; C158-C197 WeakPolarHBondContact SG-CB 3.41Å; C158-C197 CovalentContact SG-SG 2.04Å; C158-C197 PolarHBondContact SG-SG 2.89Å |
| 159 | L | 70.1 | Confident | 59.8 | Low | 41 Ų | 41 | 85.3 Ų | 85.3 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 122.8 | -179.8 | -60.5 | 175.2 | 0 | 0 | 0 | 110 | D157 Q163 L164 Q191 | D157-L159 PolarHBondContact O-N 3.48Å; L159-Q163 HydrophobicContact CB-CB 4.42Å; L159-Q163 HydrophobicContact CD2-CB 4.26Å; L159-L164 HydrophobicContact CD1-CD1 4.2Å; L159-Q191 PolarHBondContact O-OE1 3.08Å |
| 160 | N | 70.7 | Confident | 62.1 | Low | 70 Ų | 70 | 81.7 Ų | 81.7 | 37% | 0.374 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -69 | 155.5 | 169.6 | -168.3 | -0.2 | 0 | 0 | 0 | 110.2 | V70 S162 Q163 L164 | V70-N160 HydrophobicContact CG2-CB 4.3Å; N160-S162 PolarHBondContact O-N 3.5Å; N160-Q163 WeakPolarHBondContact O-CA 3.48Å; N160-Q163 WeakPolarHBondContact O-CB 3.46Å; N160-Q163 PolarHBondContact O-N 3.35Å; N160-L164 PolarHBondContact O-N 2.9Å |
| 161 | G | 72.4 | Confident | 63.7 | Low | 8 Ų | 8 | 77.5 Ų | 77.5 | 8% | 0.082 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -53.8 | -31.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L165 | G161-L165 WeakPolarHBondContact O-CG 3.21Å; G161-L165 PolarHBondContact O-N 3.47Å; G161-L165 VanDerWaalsContact O-N 3.12Å |
| 162 | S | 69.7 | Low | 65.6 | Low | 42 Ų | 42 | 76 Ų | 76 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -72.1 | -39.9 | 173.6 | 52 | 0 | 0 | 0 | 0 | 113.3 | N160 L165 V166 | N160-S162 PolarHBondContact O-N 3.5Å; S162-L165 PolarHBondContact O-N 3.04Å; S162-V166 VanDerWaalsContact O-CG2 3.27Å; S162-V166 WeakPolarHBondContact O-CG2 3.4Å; S162-V166 PolarHBondContact O-N 3.48Å |
| 163 | Q | 71.4 | Confident | 67.4 | Low | 96 Ų | 96 | 74.3 Ų | 74.3 | 45% | 0.449 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 176 | -67.6 | 168.9 | -44.4 | 0 | 0 | 110.5 | L159 N160 L165 V166 N167 | L159-Q163 HydrophobicContact CB-CB 4.42Å; L159-Q163 HydrophobicContact CD2-CB 4.26Å; N160-Q163 WeakPolarHBondContact O-CA 3.48Å; N160-Q163 WeakPolarHBondContact O-CB 3.46Å; N160-Q163 PolarHBondContact O-N 3.35Å; Q163-L165 VanDerWaalsContact C-N 3.35Å; Q163-L165 PolarHBondContact O-N 3Å; Q163-V166 PolarHBondContact O-N 3.37Å; Q163-N167 WeakPolarHBondContact O-CB 3.27Å; Q163-N167 VanDerWaalsContact O-CG 3.23Å; Q163-N167 PolarHBondContact O-N 3.07Å; Q163-N167 PolarHBondContact O-OD1 3.31Å |
| 164 | L | 76.9 | Confident | 69.2 | Low | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 174.8 | -169.6 | 71.9 | 0 | 0 | 0 | 111.2 | L159 N160 F168 L184 A187 L188 | L159-L164 HydrophobicContact CD1-CD1 4.2Å; N160-L164 PolarHBondContact O-N 2.9Å; L164-F168 HydrophobicContact CD1-CD2 4.43Å; L164-F168 HydrophobicContact CD1-CE2 4.1Å; L164-F168 VanDerWaalsContact O-CD2 3.29Å; L164-F168 WeakPolarHBondContact O-CD2 3.44Å; L164-F168 PolarHBondContact O-N 2.93Å; L164-L184 HydrophobicContact CD2-CB 4.44Å; L164-L184 HydrophobicContact CG-CD2 4.28Å; L164-A187 HydrophobicContact CD1-CB 3.82Å; L164-L188 HydrophobicContact CD2-CD2 3.52Å; L164-L188 HydrophobicContact CD2-CG 4.05Å |
| 165 | L | 77.1 | Confident | 71.2 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 178.1 | -72.1 | 174.8 | 0 | 0 | 0 | 112.6 | L58 G161 S162 Q163 N167 F168 G169 L170 P172 L176 L184 | L58-L165 HydrophobicContact CD2-CD1 3.78Å; L58-L165 HydrophobicContact CD2-CD2 4.26Å; L58-L165 HydrophobicContact CD2-CG 4.05Å; G161-L165 WeakPolarHBondContact O-CG 3.21Å; G161-L165 PolarHBondContact O-N 3.47Å; G161-L165 VanDerWaalsContact O-N 3.12Å; S162-L165 PolarHBondContact O-N 3.04Å; Q163-L165 VanDerWaalsContact C-N 3.35Å; Q163-L165 PolarHBondContact O-N 3Å; L165-N167 VanDerWaalsContact C-N 3.34Å; L165-N167 PolarHBondContact O-N 3.08Å; L165-F168 CarbonylContact O-C 3.5Å; L165-F168 PolarHBondContact O-N 2.95Å; L165-G169 PolarHBondContact O-N 2.85Å; L165-L170 CarbonylContact C-O 3.58Å; L165-L170 VanDerWaalsContact C-O 3.31Å; L165-L170 HydrophobicContact CB-CB 4.25Å; L165-L170 HydrophobicContact CD2-CB 3.85Å; L165-L170 HydrophobicContact CD2-CD1 3.92Å; L165-L170 WeakPolarHBondContact O-CA 3.44Å; L165-L170 WeakPolarHBondContact O-CB 3.48Å; L165-L170 PolarHBondContact O-N 3.19Å; L165-L170 VanDerWaalsContact O-O 3.12Å; L165-P172 HydrophobicContact CD1-CB 4.42Å; L165-L176 HydrophobicContact CD2-CD1 3.8Å; L165-L176 HydrophobicContact CD2-CD2 3.66Å; L165-L176 HydrophobicContact CD2-CG 4.26Å; L165-L184 HydrophobicContact CD2-CD1 3.76Å |
| 166 | V | 76.3 | Confident | 73 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | -179.5 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | S162 Q163 F168 G169 P172 | S162-V166 VanDerWaalsContact O-CG2 3.27Å; S162-V166 WeakPolarHBondContact O-CG2 3.4Å; S162-V166 PolarHBondContact O-N 3.48Å; Q163-V166 PolarHBondContact O-N 3.37Å; V166-F168 PolarHBondContact O-N 3.1Å; V166-G169 PolarHBondContact O-N 3.15Å; V166-P172 HydrophobicContact CG2-CG 4.02Å |
| 167 | N | 72.9 | Confident | 74.8 | Confident | 93 Ų | 93 | 55.3 Ų | 55.3 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.7 | -29.7 | 178.2 | -76.4 | 5.9 | 0 | 0 | 0 | 112.9 | Q163 L165 G169 | Q163-N167 WeakPolarHBondContact O-CB 3.27Å; Q163-N167 VanDerWaalsContact O-CG 3.23Å; Q163-N167 PolarHBondContact O-N 3.07Å; Q163-N167 PolarHBondContact O-OD1 3.31Å; L165-N167 VanDerWaalsContact C-N 3.34Å; L165-N167 PolarHBondContact O-N 3.08Å; N167-G169 VanDerWaalsContact C-N 3.34Å |
| 168 | F | 79 | Confident | 76 | Confident | 90 Ų | 90 | 52.9 Ų | 52.9 | 40% | 0.395 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 11.5 | 175 | -76.6 | -95.6 | 0 | 0 | 0 | 113.1 | L164 L165 V166 L170 L183 L184 A187 | L164-F168 HydrophobicContact CD1-CD2 4.43Å; L164-F168 HydrophobicContact CD1-CE2 4.1Å; L164-F168 VanDerWaalsContact O-CD2 3.29Å; L164-F168 WeakPolarHBondContact O-CD2 3.44Å; L164-F168 PolarHBondContact O-N 2.93Å; L165-F168 CarbonylContact O-C 3.5Å; L165-F168 PolarHBondContact O-N 2.95Å; V166-F168 PolarHBondContact O-N 3.1Å; F168-L170 HydrophobicContact CB-CD1 4.36Å; F168-L170 HydrophobicContact CB-CG 4.34Å; F168-L170 PolarHBondContact O-N 3.44Å; F168-L183 VanDerWaalsContact CE1-O 3.23Å; F168-L183 WeakPolarHBondContact CE1-O 3.42Å; F168-L184 HydrophobicContact CB-CD2 3.75Å; F168-L184 HydrophobicContact CD1-CD2 4.19Å; F168-L184 HydrophobicContact CD2-CD2 3.64Å; F168-L184 HydrophobicContact CE2-CD2 4.27Å; F168-L184 HydrophobicContact CG-CD2 3.58Å; F168-A187 HydrophobicContact CE2-CB 3.69Å; F168-A187 HydrophobicContact CZ-CB 3.69Å |
| 169 | G | 72.1 | Confident | 76.7 | Confident | 71 Ų | 71 | 61.1 Ų | 61.1 | 73% | 0.732 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 20.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L165 V166 N167 | L165-G169 PolarHBondContact O-N 2.85Å; V166-G169 PolarHBondContact O-N 3.15Å; N167-G169 VanDerWaalsContact C-N 3.34Å |
| 170 | L | 80.8 | Confident | 77.3 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | trans | -97.7 | 139.7 | 179.6 | -58.7 | 176.3 | 0 | 0 | 0 | 110.4 | L165 F168 P172 L176 Q180 L184 | L165-L170 CarbonylContact C-O 3.58Å; L165-L170 VanDerWaalsContact C-O 3.31Å; L165-L170 HydrophobicContact CB-CB 4.25Å; L165-L170 HydrophobicContact CD2-CB 3.85Å; L165-L170 HydrophobicContact CD2-CD1 3.92Å; L165-L170 WeakPolarHBondContact O-CA 3.44Å; L165-L170 WeakPolarHBondContact O-CB 3.48Å; L165-L170 PolarHBondContact O-N 3.19Å; L165-L170 VanDerWaalsContact O-O 3.12Å; F168-L170 HydrophobicContact CB-CD1 4.36Å; F168-L170 HydrophobicContact CB-CG 4.34Å; F168-L170 PolarHBondContact O-N 3.44Å; L170-P172 WeakPolarHBondContact O-CD 3.31Å; L170-L176 HydrophobicContact CB-CD2 4.42Å; L170-L176 HydrophobicContact CD1-CD2 3.78Å; L170-Q180 HydrophobicContact CD1-CB 4.32Å; L170-Q180 HydrophobicContact CD2-CB 4.4Å; L170-Q180 HydrophobicContact CD2-CG 4.17Å; L170-L184 HydrophobicContact CD1-CD1 4.32Å; L170-L184 HydrophobicContact CD1-CD2 4.02Å; L170-L184 HydrophobicContact CD1-CG 4.3Å | ||
| 171 | S | 75.1 | Confident | 78.1 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 46% | 0.462 | 35% | 0.353 | S | S | . | . | trans | -78.8 | 126.9 | 178.8 | 179.1 | 0 | 0 | 0 | 0 | 111 | A173 A174 | S171-A173 PolarHBondContact O-N 3.39Å; S171-A173 VanDerWaalsContact O-N 3.14Å; S171-A173 PolarHBondContact OG-N 3.42Å; S171-A174 PolarHBondContact O-N 3.41Å; S171-A174 VanDerWaalsContact O-N 3.15Å | ||
| 172 | P | 71.9 | Confident | 78.6 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.1 | 174.5 | -22 | 32.9 | 0 | 0 | 0 | 114.3 | L165 V166 L170 | L165-P172 HydrophobicContact CD1-CB 4.42Å; V166-P172 HydrophobicContact CG2-CG 4.02Å; L170-P172 WeakPolarHBondContact O-CD 3.31Å |
| 173 | A | 70.2 | Confident | 79.2 | Confident | 98 Ų | 98 | 62.1 Ų | 62.1 | 81% | 0.81 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -10.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S171 | S171-A173 PolarHBondContact O-N 3.39Å; S171-A173 VanDerWaalsContact O-N 3.14Å; S171-A173 PolarHBondContact OG-N 3.42Å |
| 174 | A | 79.8 | Confident | 79.8 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -100.8 | 139.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S171 | S171-A174 PolarHBondContact O-N 3.41Å; S171-A174 VanDerWaalsContact O-N 3.15Å |
| 175 | P | 84.3 | Confident | 80.1 | Confident | 71 Ų | 71 | 59 Ų | 59 | 46% | 0.461 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 138.6 | 173.6 | 30.3 | -34.1 | 0 | 0 | 0 | 110.7 | ||
| 176 | L | 87 | Confident | 80.3 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 138.7 | -175.5 | -60.9 | 162.7 | 0 | 0 | 0 | 111.1 | F44 T52 L53 L58 L165 L170 Q180 L184 | F44-L176 WeakPolarHBondContact CE1-O 3.29Å; T52-L176 CarbonylContact C-O 3.25Å; T52-L176 VanDerWaalsContact CA-O 3.28Å; T52-L176 WeakPolarHBondContact CA-O 3.37Å; T52-L176 WeakPolarHBondContact CB-O 3.45Å; L53-L176 HydrophobicContact CB-CB 4.19Å; L53-L176 HydrophobicContact CD2-CD1 4.4Å; L53-L176 PolarHBondContact N-O 2.95Å; L53-L176 PolarHBondContact O-N 3.4Å; L58-L176 HydrophobicContact CD1-CD1 4.43Å; L58-L176 HydrophobicContact CD2-CD1 3.98Å; L165-L176 HydrophobicContact CD2-CD1 3.8Å; L165-L176 HydrophobicContact CD2-CD2 3.66Å; L165-L176 HydrophobicContact CD2-CG 4.26Å; L170-L176 HydrophobicContact CB-CD2 4.42Å; L170-L176 HydrophobicContact CD1-CD2 3.78Å; L176-Q180 HydrophobicContact CD2-CB 4.37Å; L176-L184 HydrophobicContact CD1-CD1 4.25Å |
| 177 | T | 87.4 | Confident | 80.4 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 34% | 0.344 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -85 | 159.2 | 169.3 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | R179 Q180 F181 | T177-R179 PolarHBondContact O-N 3.39Å; T177-Q180 PolarHBondContact O-N 3.09Å; T177-Q180 VanDerWaalsContact OG1-CD 3.24Å; T177-Q180 VanDerWaalsContact OG1-CG 3.31Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.27Å; T177-Q180 PolarHBondContact OG1-N 3.36Å; T177-Q180 PolarHBondContact OG1-OE1 2.9Å; T177-F181 PolarHBondContact O-N 3.49Å |
| 178 | P | 83.6 | Confident | 80.7 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 31% | 0.305 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -53.6 | -37.6 | 176.4 | -28.5 | 35.3 | 0 | 0 | 0 | 113.7 | F44 F181 A182 | F44-P178 HydrophobicContact CD1-CG 3.89Å; F44-P178 HydrophobicContact CE1-CB 4.39Å; F44-P178 HydrophobicContact CE1-CG 3.76Å; F44-P178 HydrophobicContact CE2-CB 4.49Å; F44-P178 HydrophobicContact CG-CG 4.36Å; F44-P178 VanDerWaalsContact CZ-CA 3.49Å; F44-P178 HydrophobicContact CZ-CB 4.27Å; F44-P178 HydrophobicContact CZ-CG 4.14Å; P178-F181 PolarHBondContact O-N 3.32Å; P178-A182 WeakPolarHBondContact O-CB 3.3Å; P178-A182 PolarHBondContact O-N 2.86Å |
| 179 | R | 81.5 | Confident | 80.7 | Confident | 215 Ų | 215 | 56.6 Ų | 56.6 | 81% | 0.811 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.4 | -38.6 | 177.3 | -68.6 | -174.6 | 175.9 | -180 | -2.9 | 112.7 | T177 A182 | T177-R179 PolarHBondContact O-N 3.39Å; R179-A182 PolarHBondContact O-N 2.93Å |
| 180 | Q | 83.7 | Confident | 80.8 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.6 | -37 | 176.1 | -72.9 | 164.1 | -33.4 | 0 | 0 | 111.7 | L170 L176 T177 A182 L183 | L170-Q180 HydrophobicContact CD1-CB 4.32Å; L170-Q180 HydrophobicContact CD2-CB 4.4Å; L170-Q180 HydrophobicContact CD2-CG 4.17Å; L176-Q180 HydrophobicContact CD2-CB 4.37Å; T177-Q180 PolarHBondContact O-N 3.09Å; T177-Q180 VanDerWaalsContact OG1-CD 3.24Å; T177-Q180 VanDerWaalsContact OG1-CG 3.31Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.27Å; T177-Q180 PolarHBondContact OG1-N 3.36Å; T177-Q180 PolarHBondContact OG1-OE1 2.9Å; Q180-A182 VanDerWaalsContact C-N 3.34Å; Q180-L183 WeakPolarHBondContact O-CB 3.42Å; Q180-L183 PolarHBondContact O-N 3.41Å |
| 181 | F | 86.6 | Confident | 80.4 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 174 | -179.2 | -97.3 | 0 | 0 | 0 | 111.9 | L40 L43 F44 L53 L58 L61 T177 P178 L183 L184 C185 L188 | L40-F181 HydrophobicContact CD2-CD1 3.67Å; L40-F181 HydrophobicContact CD2-CE1 4.15Å; L43-F181 HydrophobicContact CD1-CE1 3.94Å; L43-F181 HydrophobicContact CD1-CZ 4.16Å; L43-F181 HydrophobicContact CD2-CD1 4.45Å; L43-F181 HydrophobicContact CD2-CE1 3.97Å; L43-F181 HydrophobicContact CD2-CZ 4.14Å; F44-F181 HydrophobicContact CE2-CB 3.82Å; F44-F181 AromaticContact CE2-CD1 3.87Å; F44-F181 HydrophobicContact CE2-CD1 3.87Å; F44-F181 AromaticContact CE2-CG 3.85Å; F44-F181 HydrophobicContact CE2-CG 3.85Å; F44-F181 HydrophobicContact CZ-CB 3.64Å; F44-F181 HydrophobicContact CZ-CG 4.12Å; L53-F181 HydrophobicContact CD2-CD2 3.74Å; L53-F181 HydrophobicContact CD2-CE2 3.99Å; L58-F181 HydrophobicContact CD1-CD2 4.33Å; L58-F181 HydrophobicContact CD1-CE2 4Å; L61-F181 HydrophobicContact CD2-CE1 4.5Å; L61-F181 HydrophobicContact CD2-CE2 3.48Å; L61-F181 VanDerWaalsContact CD2-CE2 3.48Å; L61-F181 HydrophobicContact CD2-CZ 3.43Å; L61-F181 VanDerWaalsContact CD2-CZ 3.43Å; T177-F181 PolarHBondContact O-N 3.49Å; P178-F181 PolarHBondContact O-N 3.32Å; F181-L183 PolarHBondContact O-N 2.97Å; F181-L184 HydrophobicContact CD2-CD1 4.44Å; F181-L184 WeakPolarHBondContact O-CA 3.34Å; F181-L184 WeakPolarHBondContact O-CB 3.23Å; F181-L184 PolarHBondContact O-N 2.93Å; F181-C185 PolarHBondContact O-N 2.88Å; F181-L188 HydrophobicContact CE2-CD1 3.88Å; F181-L188 HydrophobicContact CZ-CD1 3.89Å |
| 182 | A | 83.8 | Confident | 80.2 | Confident | 25 Ų | 25 | 59 Ų | 59 | 21% | 0.207 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.7 | -28.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L40 P178 R179 Q180 L184 C185 P186 | L40-A182 HydrophobicContact CD1-CB 4.25Å; P178-A182 WeakPolarHBondContact O-CB 3.3Å; P178-A182 PolarHBondContact O-N 2.86Å; R179-A182 PolarHBondContact O-N 2.93Å; Q180-A182 VanDerWaalsContact C-N 3.34Å; A182-L184 VanDerWaalsContact C-N 3.28Å; A182-L184 PolarHBondContact O-N 3.32Å; A182-C185 WeakPolarHBondContact O-CB 3.47Å; A182-C185 PolarHBondContact O-N 3.48Å; A182-P186 WeakPolarHBondContact O-CD 3.28Å |
| 183 | L | 82.3 | Confident | 79.8 | Confident | 83 Ų | 83 | 63.5 Ų | 63.5 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.1 | -26.8 | 173.6 | -62 | 171.2 | 0 | 0 | 0 | 112.6 | F168 Q180 F181 | F168-L183 VanDerWaalsContact CE1-O 3.23Å; F168-L183 WeakPolarHBondContact CE1-O 3.42Å; Q180-L183 WeakPolarHBondContact O-CB 3.42Å; Q180-L183 PolarHBondContact O-N 3.41Å; F181-L183 PolarHBondContact O-N 2.97Å |
| 184 | L | 83.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -82.9 | -22.7 | 177.6 | -54.1 | 178.3 | 0 | 0 | 0 | 112 | L164 L165 F168 L170 L176 F181 A182 A187 L188 | L164-L184 HydrophobicContact CD2-CB 4.44Å; L164-L184 HydrophobicContact CG-CD2 4.28Å; L165-L184 HydrophobicContact CD2-CD1 3.76Å; F168-L184 HydrophobicContact CB-CD2 3.75Å; F168-L184 HydrophobicContact CD1-CD2 4.19Å; F168-L184 HydrophobicContact CD2-CD2 3.64Å; F168-L184 HydrophobicContact CE2-CD2 4.27Å; F168-L184 HydrophobicContact CG-CD2 3.58Å; L170-L184 HydrophobicContact CD1-CD1 4.32Å; L170-L184 HydrophobicContact CD1-CD2 4.02Å; L170-L184 HydrophobicContact CD1-CG 4.3Å; L176-L184 HydrophobicContact CD1-CD1 4.25Å; F181-L184 HydrophobicContact CD2-CD1 4.44Å; F181-L184 WeakPolarHBondContact O-CA 3.34Å; F181-L184 WeakPolarHBondContact O-CB 3.23Å; F181-L184 PolarHBondContact O-N 2.93Å; A182-L184 VanDerWaalsContact C-N 3.28Å; A182-L184 PolarHBondContact O-N 3.32Å; L184-A187 PolarHBondContact O-N 3.05Å; L184-A187 VanDerWaalsContact O-N 3.07Å; L184-L188 HydrophobicContact CB-CD1 4.33Å; L184-L188 WeakPolarHBondContact O-CG 3.35Å; L184-L188 PolarHBondContact O-N 3.07Å |
| 185 | C | 83.7 | Confident | 78.6 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 22% | 0.216 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.1 | -44.2 | -175.7 | -69.9 | 0 | 0 | 0 | 0 | 114 | F181 A182 A187 L188 L189 | F181-C185 PolarHBondContact O-N 2.88Å; A182-C185 WeakPolarHBondContact O-CB 3.47Å; A182-C185 PolarHBondContact O-N 3.48Å; C185-A187 VanDerWaalsContact C-N 3.33Å; C185-A187 PolarHBondContact O-N 3.48Å; C185-L188 PolarHBondContact O-N 2.93Å; C185-L189 WeakPolarHBondContact O-CB 3.49Å; C185-L189 VanDerWaalsContact O-CG 3.29Å; C185-L189 WeakPolarHBondContact O-CG 3.29Å; C185-L189 PolarHBondContact O-N 3.34Å |
| 186 | P | 81.3 | Confident | 77.6 | Confident | 83 Ų | 83 | 65.6 Ų | 65.6 | 54% | 0.539 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 176.4 | -25.1 | 35.5 | 0 | 0 | 0 | 113.2 | A182 Y190 | A182-P186 WeakPolarHBondContact O-CD 3.28Å; P186-Y190 VanDerWaalsContact O-CB 3.31Å; P186-Y190 WeakPolarHBondContact O-CB 3.45Å; P186-Y190 PolarHBondContact O-N 3.06Å |
| 187 | A | 77.6 | Confident | 76.3 | Confident | 19 Ų | 19 | 66 Ų | 66 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.7 | -30.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L164 F168 L184 C185 Q191 | L164-A187 HydrophobicContact CD1-CB 3.82Å; F168-A187 HydrophobicContact CE2-CB 3.69Å; F168-A187 HydrophobicContact CZ-CB 3.69Å; L184-A187 PolarHBondContact O-N 3.05Å; L184-A187 VanDerWaalsContact O-N 3.07Å; C185-A187 VanDerWaalsContact C-N 3.33Å; C185-A187 PolarHBondContact O-N 3.48Å; A187-Q191 VanDerWaalsContact O-CG 3.31Å; A187-Q191 WeakPolarHBondContact O-CG 3.38Å; A187-Q191 PolarHBondContact O-N 3.44Å; A187-Q191 VanDerWaalsContact O-N 3.1Å; A187-Q191 PolarHBondContact O-NE2 3.48Å; A187-Q191 VanDerWaalsContact O-NE2 3.16Å |
| 188 | L | 80.4 | Confident | 74.9 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.9 | -44 | 172.4 | -67.9 | 175.7 | 0 | 0 | 0 | 111.6 | L62 L67 L164 F181 L184 C185 Y190 Q191 I192 | L62-L188 HydrophobicContact CD2-CD1 4.4Å; L62-L188 HydrophobicContact CD2-CD2 3.34Å; L67-L188 HydrophobicContact CD1-CD2 3.85Å; L164-L188 HydrophobicContact CD2-CD2 3.52Å; L164-L188 HydrophobicContact CD2-CG 4.05Å; F181-L188 HydrophobicContact CE2-CD1 3.88Å; F181-L188 HydrophobicContact CZ-CD1 3.89Å; L184-L188 HydrophobicContact CB-CD1 4.33Å; L184-L188 WeakPolarHBondContact O-CG 3.35Å; L184-L188 PolarHBondContact O-N 3.07Å; C185-L188 PolarHBondContact O-N 2.93Å; L188-Y190 VanDerWaalsContact C-N 3.34Å; L188-Q191 PolarHBondContact O-N 2.9Å; L188-I192 WeakPolarHBondContact O-CD1 3.32Å; L188-I192 VanDerWaalsContact O-CG1 3.26Å; L188-I192 WeakPolarHBondContact O-CG1 3.26Å; L188-I192 PolarHBondContact O-N 3.18Å |
| 189 | L | 78.9 | Confident | 73.2 | Confident | 115 Ų | 115 | 67.7 Ų | 67.7 | 60% | 0.602 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.8 | -45.3 | 174.4 | -75.1 | 169.9 | 0 | 0 | 0 | 110.7 | C185 Q191 I192 D193 | C185-L189 WeakPolarHBondContact O-CB 3.49Å; C185-L189 VanDerWaalsContact O-CG 3.29Å; C185-L189 WeakPolarHBondContact O-CG 3.29Å; C185-L189 PolarHBondContact O-N 3.34Å; L189-Q191 PolarHBondContact O-N 3.33Å; L189-I192 PolarHBondContact O-N 3.43Å; L189-D193 VanDerWaalsContact O-CB 3.26Å; L189-D193 WeakPolarHBondContact O-CB 3.26Å; L189-D193 PolarHBondContact O-N 3.36Å |
| 190 | Y | 73 | Confident | 71.2 | Confident | 141 Ų | 141 | 61.5 Ų | 61.5 | 55% | 0.553 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.3 | -48.5 | 174.3 | 179 | -99.5 | 0 | 0 | 0 | 111.7 | P186 L188 I192 D193 S194 | P186-Y190 VanDerWaalsContact O-CB 3.31Å; P186-Y190 WeakPolarHBondContact O-CB 3.45Å; P186-Y190 PolarHBondContact O-N 3.06Å; L188-Y190 VanDerWaalsContact C-N 3.34Å; Y190-I192 VanDerWaalsContact C-N 3.3Å; Y190-I192 PolarHBondContact O-N 3.2Å; Y190-D193 PolarHBondContact O-N 3.43Å; Y190-S194 WeakPolarHBondContact O-CB 3.3Å; Y190-S194 PolarHBondContact O-N 3.35Å; Y190-S194 PolarHBondContact O-OG 3.13Å |
| 191 | Q | 72.1 | Confident | 69.1 | Low | 9 Ų | 9 | 63.7 Ų | 63.7 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.4 | -25.5 | 179.9 | -73.9 | 176.3 | 105.8 | 0 | 0 | 114.3 | L67 L159 A187 L188 L189 C197 | L67-Q191 HydrophobicContact CD2-CB 4.13Å; L159-Q191 PolarHBondContact O-OE1 3.08Å; A187-Q191 VanDerWaalsContact O-CG 3.31Å; A187-Q191 WeakPolarHBondContact O-CG 3.38Å; A187-Q191 PolarHBondContact O-N 3.44Å; A187-Q191 VanDerWaalsContact O-N 3.1Å; A187-Q191 PolarHBondContact O-NE2 3.48Å; A187-Q191 VanDerWaalsContact O-NE2 3.16Å; L188-Q191 PolarHBondContact O-N 2.9Å; L189-Q191 PolarHBondContact O-N 3.33Å; Q191-C197 PolarHBondContact OE1-SG 3.04Å |
| 192 | I | 71.8 | Confident | 66.7 | Low | 63 Ų | 63 | 67 Ų | 67 | 32% | 0.323 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -77.4 | -49.2 | 174.3 | -68.6 | 165.1 | 0 | 0 | 0 | 110.3 | L65 L67 L188 L189 Y190 R195 | L65-I192 HydrophobicContact CD2-CD1 4.46Å; L67-I192 HydrophobicContact CD1-CD1 4.35Å; L67-I192 HydrophobicContact CD1-CG1 4.06Å; L67-I192 HydrophobicContact CD2-CG1 4.05Å; L67-I192 HydrophobicContact CG-CG1 4.33Å; L188-I192 WeakPolarHBondContact O-CD1 3.32Å; L188-I192 VanDerWaalsContact O-CG1 3.26Å; L188-I192 WeakPolarHBondContact O-CG1 3.26Å; L188-I192 PolarHBondContact O-N 3.18Å; L189-I192 PolarHBondContact O-N 3.43Å; Y190-I192 VanDerWaalsContact C-N 3.3Å; Y190-I192 PolarHBondContact O-N 3.2Å; I192-R195 PolarHBondContact O-N 3.09Å |
| 193 | D | 64.6 | Low | 64.7 | Low | 142 Ų | 142 | 71.9 Ų | 71.9 | 76% | 0.759 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -68.4 | -46.7 | -175.4 | -168.2 | 58.7 | 0 | 0 | 0 | 111.7 | L189 Y190 R195 | L189-D193 VanDerWaalsContact O-CB 3.26Å; L189-D193 WeakPolarHBondContact O-CB 3.26Å; L189-D193 PolarHBondContact O-N 3.36Å; Y190-D193 PolarHBondContact O-N 3.43Å; D193-R195 PolarHBondContact O-N 3.38Å |
| 194 | S | 61.3 | Low | 62.7 | Low | 41 Ų | 41 | 70.4 Ų | 70.4 | 29% | 0.287 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -7.8 | 176.8 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | Y190 V196 | Y190-S194 WeakPolarHBondContact O-CB 3.3Å; Y190-S194 PolarHBondContact O-N 3.35Å; Y190-S194 PolarHBondContact O-OG 3.13Å; S194-V196 PolarHBondContact O-N 3.41Å; S194-V196 WeakPolarHBondContact OG-CG2 3.21Å |
| 195 | R | 62.8 | Low | 60.6 | Low | 173 Ų | 173 | 74.4 Ų | 74.4 | 65% | 0.653 | 45% | 0.449 | S | S | * | . | trans | 52.2 | 18.3 | -174.7 | -56.3 | -174 | -178.5 | 173.2 | 3.2 | 114.6 | I192 D193 C197 I198 | I192-R195 PolarHBondContact O-N 3.09Å; D193-R195 PolarHBondContact O-N 3.38Å; R195-C197 PolarHBondContact O-N 3.29Å; R195-C197 VanDerWaalsContact O-N 3.15Å; R195-I198 HydrophobicContact CB-CB 4.39Å; R195-I198 CarbonylContact O-C 3.55Å; R195-I198 VanDerWaalsContact O-C 3.25Å; R195-I198 PolarHBondContact O-N 3.47Å | ||
| 196 | V | 62.5 | Low | 58.6 | Low | 46 Ų | 46 | 79.2 Ų | 79.2 | 28% | 0.279 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.3 | -176.9 | 172.3 | 0 | 0 | 0 | 0 | 112.5 | E156 S194 | E156-V196 WeakPolarHBondContact O-CG1 3.31Å; S194-V196 PolarHBondContact O-N 3.41Å; S194-V196 WeakPolarHBondContact OG-CG2 3.21Å |
| 197 | C | 60.4 | Low | 57.1 | Low | 12 Ų | 12 | 77.4 Ų | 77.4 | 8% | 0.081 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -16.7 | 175.3 | -78.5 | 0 | 0 | 0 | 0 | 115.3 | L67 C158 Q191 R195 G199 | L67-C197 HydrophobicContact CD2-CB 3.52Å; C158-C197 WeakPolarHBondContact CA-SG 3.26Å; C158-C197 HydrophobicContact CB-CB 3.86Å; C158-C197 WeakPolarHBondContact CB-SG 3.37Å; C158-C197 WeakPolarHBondContact SG-CA 3.36Å; C158-C197 WeakPolarHBondContact SG-CB 3.41Å; C158-C197 CovalentContact SG-SG 2.04Å; C158-C197 PolarHBondContact SG-SG 2.89Å; Q191-C197 PolarHBondContact OE1-SG 3.04Å; R195-C197 PolarHBondContact O-N 3.29Å; R195-C197 VanDerWaalsContact O-N 3.15Å; C197-G199 PolarHBondContact O-N 3.24Å |
| 198 | I | 57.6 | Low | 56.7 | Low | 80 Ų | 80 | 80.2 Ų | 80.2 | 41% | 0.41 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -100.4 | 78.1 | 176.6 | -54.7 | 169.7 | 0 | 0 | 0 | 103.9 | R195 A200 | R195-I198 HydrophobicContact CB-CB 4.39Å; R195-I198 CarbonylContact O-C 3.55Å; R195-I198 VanDerWaalsContact O-C 3.25Å; R195-I198 PolarHBondContact O-N 3.47Å; I198-A200 PolarHBondContact O-N 3.46Å |
| 199 | G | 47.3 | Very low | 56.8 | Low | 60 Ų | 60 | 83.2 Ų | 83.2 | 62% | 0.619 | 50% | 0.504 | S | S | * | . | trans | -37.3 | 128.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111 | C197 | C197-G199 PolarHBondContact O-N 3.24Š| ||
| 200 | A | 40.7 | Very low | 57.2 | Low | 84 Ų | 84 | 82.9 Ų | 82.9 | 69% | 0.694 | 50% | 0.503 | S | S | * | . | trans | -32.4 | 130 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | I198 A202 | I198-A200 PolarHBondContact O-N 3.46Å; A200-A202 PolarHBondContact O-N 2.58Å | ||
| 201 | P | 39 | Very low | 57.8 | Low | 115 Ų | 115 | 78 Ų | 78 | 75% | 0.747 | 49% | 0.489 | S | S | * | . | trans | -44.7 | 118 | -177.2 | 17.7 | -29.5 | 0 | 0 | 0 | 106.7 | ||||
| 202 | A | 36.7 | Very low | 58.6 | Low | 76 Ų | 76 | 77.8 Ų | 77.8 | 63% | 0.628 | 49% | 0.489 | S | S | * | . | trans | -45 | 135.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | A200 A204 | A200-A202 PolarHBondContact O-N 2.58Å; A202-A204 WeakPolarHBondContact O-CA 3.43Å; A202-A204 PolarHBondContact O-N 3.28Å | ||
| 203 | P | 40.5 | Very low | 59.6 | Low | 127 Ų | 127 | 77.4 Ų | 77.4 | 83% | 0.825 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -44.9 | 117.3 | 179.5 | 18.4 | -31.1 | 0 | 0 | 0 | 106.2 | ||
| 204 | A | 41.4 | Very low | 61 | Low | 52 Ų | 52 | 76 Ų | 76 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | trans | -33.1 | 129.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A202 D208 | A202-A204 WeakPolarHBondContact O-CA 3.43Å; A202-A204 PolarHBondContact O-N 3.28Å; A204-D208 VanDerWaalsContact CA-OD2 3.3Å; A204-D208 WeakPolarHBondContact CA-OD2 3.32Å; A204-D208 HydrophobicContact CB-CB 3.38Å; A204-D208 WeakPolarHBondContact CB-OD2 3.5Å | ||
| 205 | P | 39.1 | Very low | 62.6 | Low | 85 Ų | 85 | 76.9 Ų | 76.9 | 55% | 0.552 | 48% | 0.479 | S | S | * | . | trans | -47.6 | 151.8 | 167 | 22.8 | -33.8 | 0 | 0 | 0 | 108.4 | G207 D208 | P205-G207 PolarHBondContact O-N 3.1Å; P205-D208 WeakPolarHBondContact CD-OD2 3.3Å; P205-D208 PolarHBondContact O-N 3.47Å | ||
| 206 | P | 41.8 | Very low | 64.1 | Low | 133 Ų | 133 | 68.7 Ų | 68.7 | 86% | 0.864 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 8.2 | -175.4 | 18.7 | -30.4 | 0 | 0 | 0 | 115.9 | ||
| 207 | G | 48.4 | Very low | 65.7 | Low | 45 Ų | 45 | 68.2 Ų | 68.2 | 46% | 0.464 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -20.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117 | P205 S211 | P205-G207 PolarHBondContact O-N 3.1Å; G207-S211 PolarHBondContact O-N 3.24Å |
| 208 | D | 70.3 | Confident | 67.5 | Low | 78 Ų | 78 | 73.4 Ų | 73.4 | 42% | 0.417 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -90.3 | -24.6 | -176.2 | -39.6 | -43.2 | 0 | 0 | 0 | 114.7 | A204 P205 L210 S211 A212 | A204-D208 VanDerWaalsContact CA-OD2 3.3Å; A204-D208 WeakPolarHBondContact CA-OD2 3.32Å; A204-D208 HydrophobicContact CB-CB 3.38Å; A204-D208 WeakPolarHBondContact CB-OD2 3.5Å; P205-D208 WeakPolarHBondContact CD-OD2 3.3Å; P205-D208 PolarHBondContact O-N 3.47Å; D208-L210 VanDerWaalsContact C-N 3.34Å; D208-L210 PolarHBondContact O-N 3.16Å; D208-S211 VanDerWaalsContact CA-OG 3.27Å; D208-S211 WeakPolarHBondContact CA-OG 3.45Å; D208-S211 PolarHBondContact O-N 3.24Å; D208-S211 PolarHBondContact O-OG 3.4Å; D208-A212 VanDerWaalsContact O-CB 3.3Å; D208-A212 WeakPolarHBondContact O-CB 3.42Å; D208-A212 PolarHBondContact O-N 2.83Å |
| 209 | L | 81.9 | Confident | 69.3 | Low | 70 Ų | 70 | 69.9 Ų | 69.9 | 37% | 0.366 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 171.7 | 174.7 | 60.3 | 0 | 0 | 0 | 110.7 | S211 A212 L213 V464 L468 | L209-S211 VanDerWaalsContact C-N 3.33Å; L209-A212 PolarHBondContact O-N 3.39Å; L209-L213 HydrophobicContact CD1-CD1 4.17Å; L209-L213 HydrophobicContact CD1-CG 4.26Å; L209-L213 HydrophobicContact CG-CD1 4.14Å; L209-L213 WeakPolarHBondContact O-CB 3.45Å; L209-L213 VanDerWaalsContact O-CG 3.25Å; L209-L213 WeakPolarHBondContact O-CG 3.18Å; L209-L213 PolarHBondContact O-N 2.92Å; L209-V464 HydrophobicContact CD1-CG1 3.18Å; L209-L468 HydrophobicContact CD1-CD1 3.95Å; L209-L468 HydrophobicContact CD1-CD2 4.19Å; L209-L468 HydrophobicContact CD1-CG 4.4Å; L209-L468 HydrophobicContact CD2-CD1 4.04Å |
| 210 | L | 87.1 | Confident | 71.7 | Confident | 108 Ų | 108 | 67.4 Ų | 67.4 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.1 | -38.8 | 177.9 | -175.3 | 68.2 | 0 | 0 | 0 | 110.8 | D208 L214 | D208-L210 VanDerWaalsContact C-N 3.34Å; D208-L210 PolarHBondContact O-N 3.16Å; L210-L214 HydrophobicContact CD1-CD1 4.42Å; L210-L214 HydrophobicContact CD1-CG 4.45Å; L210-L214 HydrophobicContact CG-CD1 3.98Å; L210-L214 HydrophobicContact CG-CG 4.41Å; L210-L214 WeakPolarHBondContact O-CB 3.41Å; L210-L214 WeakPolarHBondContact O-CG 3.5Å; L210-L214 PolarHBondContact O-N 3.14Å |
| 211 | S | 86.9 | Confident | 74.2 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 27% | 0.273 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 177.1 | 72.9 | 0 | 0 | 0 | 0 | 111.4 | G207 D208 L209 L213 L214 Q215 | G207-S211 PolarHBondContact O-N 3.24Å; D208-S211 VanDerWaalsContact CA-OG 3.27Å; D208-S211 WeakPolarHBondContact CA-OG 3.45Å; D208-S211 PolarHBondContact O-N 3.24Å; D208-S211 PolarHBondContact O-OG 3.4Å; L209-S211 VanDerWaalsContact C-N 3.33Å; S211-L213 PolarHBondContact O-N 2.94Å; S211-L214 PolarHBondContact O-N 3.44Å; S211-Q215 VanDerWaalsContact O-CB 3.28Å; S211-Q215 WeakPolarHBondContact O-CB 3.29Å; S211-Q215 WeakPolarHBondContact O-CG 3.47Å; S211-Q215 PolarHBondContact O-N 2.91Å |
| 212 | A | 88.9 | Confident | 76.8 | Confident | 5 Ų | 5 | 67.3 Ų | 67.3 | 4% | 0.041 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D208 L209 S216 F406 V464 | D208-A212 VanDerWaalsContact O-CB 3.3Å; D208-A212 WeakPolarHBondContact O-CB 3.42Å; D208-A212 PolarHBondContact O-N 2.83Å; L209-A212 PolarHBondContact O-N 3.39Å; A212-S216 WeakPolarHBondContact O-CB 3.45Å; A212-S216 PolarHBondContact O-N 3.03Å; A212-S216 PolarHBondContact O-OG 2.86Å; A212-F406 HydrophobicContact CB-CB 4.46Å; A212-V464 HydrophobicContact CB-CG1 4.48Å; A212-V464 HydrophobicContact CB-CG2 4.4Å |
| 213 | L | 92.9 | Very high | 79.5 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 29% | 0.288 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 174.9 | -73.8 | 172 | 0 | 0 | 0 | 112.2 | L209 S211 A217 V461 V464 | L209-L213 HydrophobicContact CD1-CD1 4.17Å; L209-L213 HydrophobicContact CD1-CG 4.26Å; L209-L213 HydrophobicContact CG-CD1 4.14Å; L209-L213 WeakPolarHBondContact O-CB 3.45Å; L209-L213 VanDerWaalsContact O-CG 3.25Å; L209-L213 WeakPolarHBondContact O-CG 3.18Å; L209-L213 PolarHBondContact O-N 2.92Å; S211-L213 PolarHBondContact O-N 2.94Å; L213-A217 WeakPolarHBondContact O-CB 3.3Å; L213-A217 PolarHBondContact O-N 3.4Å; L213-V461 HydrophobicContact CD2-CG2 4.18Å; L213-V464 HydrophobicContact CD2-CB 3.93Å; L213-V464 HydrophobicContact CD2-CG1 3.95Å; L213-V464 HydrophobicContact CD2-CG2 4Å; L213-V464 HydrophobicContact CG-CG1 4.08Å |
| 214 | L | 93.8 | Very high | 82 | Confident | 112 Ų | 112 | 59.8 Ų | 59.8 | 59% | 0.586 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.2 | -42.7 | 179 | -74.1 | 172.3 | 0 | 0 | 0 | 111.9 | L210 S211 A217 L218 | L210-L214 HydrophobicContact CD1-CD1 4.42Å; L210-L214 HydrophobicContact CD1-CG 4.45Å; L210-L214 HydrophobicContact CG-CD1 3.98Å; L210-L214 HydrophobicContact CG-CG 4.41Å; L210-L214 WeakPolarHBondContact O-CB 3.41Å; L210-L214 WeakPolarHBondContact O-CG 3.5Å; L210-L214 PolarHBondContact O-N 3.14Å; S211-L214 PolarHBondContact O-N 3.44Å; L214-A217 PolarHBondContact O-N 3.09Å; L214-L218 VanDerWaalsContact O-CB 3.28Å; L214-L218 WeakPolarHBondContact O-CB 3.37Å; L214-L218 PolarHBondContact O-N 3.3Å |
| 215 | Q | 93.9 | Very high | 84.4 | Confident | 60 Ų | 60 | 62.1 Ų | 62.1 | 28% | 0.28 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 177.5 | -72.8 | 171.3 | -8.9 | 0 | 0 | 111.1 | S211 L218 A219 F406 | S211-Q215 VanDerWaalsContact O-CB 3.28Å; S211-Q215 WeakPolarHBondContact O-CB 3.29Å; S211-Q215 WeakPolarHBondContact O-CG 3.47Å; S211-Q215 PolarHBondContact O-N 2.91Å; Q215-L218 PolarHBondContact O-N 2.98Å; Q215-A219 WeakPolarHBondContact O-CB 3.4Å; Q215-A219 PolarHBondContact O-N 3.45Å; Q215-F406 HydrophobicContact CB-CD1 3.71Å; Q215-F406 HydrophobicContact CB-CD2 4.4Å; Q215-F406 HydrophobicContact CB-CE1 3.86Å; Q215-F406 HydrophobicContact CB-CG 4.02Å; Q215-F406 HydrophobicContact CB-CZ 4.26Å; Q215-F406 HydrophobicContact CG-CD1 4.46Å |
| 216 | S | 95.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 176.3 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | A212 L218 A219 V220 F406 | A212-S216 WeakPolarHBondContact O-CB 3.45Å; A212-S216 PolarHBondContact O-N 3.03Å; A212-S216 PolarHBondContact O-OG 2.86Å; S216-L218 VanDerWaalsContact C-N 3.35Å; S216-L218 PolarHBondContact O-N 3.38Å; S216-A219 PolarHBondContact O-N 3.13Å; S216-V220 WeakPolarHBondContact O-CG2 3.36Å; S216-V220 PolarHBondContact O-N 3.49Å; S216-F406 WeakPolarHBondContact OG-CB 3.21Å; S216-F406 WeakPolarHBondContact OG-CD2 3.4Å |
| 217 | A | 96.1 | Very high | 89.2 | Confident | 36 Ų | 36 | 51.9 Ų | 51.9 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L213 L214 L221 L457 | L213-A217 WeakPolarHBondContact O-CB 3.3Å; L213-A217 PolarHBondContact O-N 3.4Å; L214-A217 PolarHBondContact O-N 3.09Å; A217-L221 WeakPolarHBondContact O-CB 3.39Å; A217-L221 PolarHBondContact O-N 3.36Å; A217-L457 HydrophobicContact CB-CD2 3.79Å |
| 218 | L | 96.4 | Very high | 91.2 | Very high | 121 Ų | 121 | 52.4 Ų | 52.4 | 63% | 0.634 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.8 | -42.4 | 174.7 | -179.8 | 63.1 | 0 | 0 | 0 | 111.5 | L214 Q215 S216 L221 L222 | L214-L218 VanDerWaalsContact O-CB 3.28Å; L214-L218 WeakPolarHBondContact O-CB 3.37Å; L214-L218 PolarHBondContact O-N 3.3Å; Q215-L218 PolarHBondContact O-N 2.98Å; S216-L218 VanDerWaalsContact C-N 3.35Å; S216-L218 PolarHBondContact O-N 3.38Å; L218-L221 PolarHBondContact O-N 2.88Å; L218-L222 WeakPolarHBondContact O-CB 3.37Å; L218-L222 PolarHBondContact O-N 3.34Å |
| 219 | A | 96.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 53 Ų | 53 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q215 S216 L221 L222 L223 I402 F406 T417 | Q215-A219 WeakPolarHBondContact O-CB 3.4Å; Q215-A219 PolarHBondContact O-N 3.45Å; S216-A219 PolarHBondContact O-N 3.13Å; A219-L221 VanDerWaalsContact C-N 3.29Å; A219-L221 PolarHBondContact O-N 3.22Å; A219-L222 WeakPolarHBondContact O-CA 3.49Å; A219-L222 WeakPolarHBondContact O-CB 3.42Å; A219-L222 PolarHBondContact O-N 3.32Å; A219-L223 WeakPolarHBondContact O-CG 3.43Å; A219-L223 PolarHBondContact O-N 3.14Å; A219-I402 HydrophobicContact CB-CG2 3.87Å; A219-F406 HydrophobicContact CB-CE2 3.77Å; A219-F406 HydrophobicContact CB-CZ 4.42Å; A219-T417 HydrophobicContact CB-CG2 3.64Å; A219-T417 WeakPolarHBondContact CB-OG1 3.42Å |
| 220 | V | 96.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | S216 L222 L223 S224 I402 L457 A460 | S216-V220 WeakPolarHBondContact O-CG2 3.36Å; S216-V220 PolarHBondContact O-N 3.49Å; V220-L222 VanDerWaalsContact C-N 3.33Å; V220-L222 PolarHBondContact O-N 3.48Å; V220-L223 CarbonylContact O-C 3.6Å; V220-L223 PolarHBondContact O-N 2.83Å; V220-S224 PolarHBondContact O-N 3.19Å; V220-S224 PolarHBondContact O-OG 3.35Å; V220-I402 HydrophobicContact CG2-CD1 4.39Å; V220-L457 HydrophobicContact CB-CD2 4.41Å; V220-L457 HydrophobicContact CB-CG 4.45Å; V220-L457 HydrophobicContact CG1-CD2 4.44Å; V220-L457 HydrophobicContact CG1-CG 3.94Å; V220-A460 HydrophobicContact CG2-CB 4.09Å |
| 221 | L | 94.3 | Very high | 92.7 | Very high | 110 Ų | 110 | 44.5 Ų | 44.5 | 58% | 0.576 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.4 | -38.8 | 174.5 | -177.9 | 63.4 | 0 | 0 | 0 | 112 | A217 L218 A219 L223 S224 | A217-L221 WeakPolarHBondContact O-CB 3.39Å; A217-L221 PolarHBondContact O-N 3.36Å; L218-L221 PolarHBondContact O-N 2.88Å; A219-L221 VanDerWaalsContact C-N 3.29Å; A219-L221 PolarHBondContact O-N 3.22Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-S224 WeakPolarHBondContact O-CB 3.22Å; L221-S224 PolarHBondContact O-N 3.35Å |
| 222 | L | 93.9 | Very high | 92.8 | Very high | 88 Ų | 88 | 47.1 Ų | 47.1 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 174.3 | -173 | 72.8 | 0 | 0 | 0 | 111.1 | L218 A219 V220 S224 L225 P226 | L218-L222 WeakPolarHBondContact O-CB 3.37Å; L218-L222 PolarHBondContact O-N 3.34Å; A219-L222 WeakPolarHBondContact O-CA 3.49Å; A219-L222 WeakPolarHBondContact O-CB 3.42Å; A219-L222 PolarHBondContact O-N 3.32Å; V220-L222 VanDerWaalsContact C-N 3.33Å; V220-L222 PolarHBondContact O-N 3.48Å; L222-S224 PolarHBondContact O-N 2.88Å; L222-L225 HydrophobicContact CD1-CD1 3.81Å; L222-L225 WeakPolarHBondContact O-CB 3.26Å; L222-L225 WeakPolarHBondContact O-CG 3.25Å; L222-L225 PolarHBondContact O-N 2.97Å; L222-L225 VanDerWaalsContact O-N 3.12Å; L222-P226 WeakPolarHBondContact O-CD 3.34Å |
| 223 | L | 93.6 | Very high | 92.8 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.6 | -13.6 | 175.4 | -66.5 | 171.9 | 0 | 0 | 0 | 113.8 | A219 V220 L221 P226 I402 T417 V420 F421 | A219-L223 WeakPolarHBondContact O-CG 3.43Å; A219-L223 PolarHBondContact O-N 3.14Å; V220-L223 CarbonylContact O-C 3.6Å; V220-L223 PolarHBondContact O-N 2.83Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L223-P226 VanDerWaalsContact O-CD 3.26Å; L223-P226 WeakPolarHBondContact O-CD 3.34Å; L223-I402 HydrophobicContact CD1-CD1 3.19Å; L223-T417 HydrophobicContact CG-CG2 4.47Å; L223-V420 HydrophobicContact CD1-CB 4.08Å; L223-V420 HydrophobicContact CD1-CG1 3.64Å; L223-V420 HydrophobicContact CD2-CB 4.24Å; L223-V420 HydrophobicContact CD2-CG1 3.94Å; L223-V420 HydrophobicContact CG-CG1 4.39Å; L223-F421 VanDerWaalsContact CD2-CA 3.42Å; L223-F421 HydrophobicContact CD2-CB 3.58Å; L223-F421 HydrophobicContact CD2-CD2 4.06Å; L223-F421 HydrophobicContact CD2-CG 4.33Å |
| 224 | S | 92.2 | Very high | 92.5 | Very high | 34 Ų | 34 | 48 Ų | 48 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -8.7 | 170.9 | -54.1 | 0 | 0 | 0 | 0 | 113.4 | V220 L221 L222 P228 | V220-S224 PolarHBondContact O-N 3.19Å; V220-S224 PolarHBondContact O-OG 3.35Å; L221-S224 WeakPolarHBondContact O-CB 3.22Å; L221-S224 PolarHBondContact O-N 3.35Å; L222-S224 PolarHBondContact O-N 2.88Å; S224-P228 WeakPolarHBondContact O-CD 3.44Å |
| 225 | L | 91.3 | Very high | 92.2 | Very high | 100 Ų | 100 | 50.3 Ų | 50.3 | 52% | 0.524 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -73.3 | -36.1 | 176.9 | -61 | -179.6 | 0 | 0 | 0 | 114.7 | L222 S227 P228 L229 | L222-L225 HydrophobicContact CD1-CD1 3.81Å; L222-L225 WeakPolarHBondContact O-CB 3.26Å; L222-L225 WeakPolarHBondContact O-CG 3.25Å; L222-L225 PolarHBondContact O-N 2.97Å; L222-L225 VanDerWaalsContact O-N 3.12Å; L225-S227 PolarHBondContact O-N 3.42Å; L225-P228 WeakPolarHBondContact O-CD 3.11Å; L225-P228 VanDerWaalsContact O-CG 3.3Å; L225-P228 WeakPolarHBondContact O-CG 3.34Å; L225-L229 WeakPolarHBondContact O-CB 3.34Å; L225-L229 PolarHBondContact O-N 3.16Å |
| 226 | P | 91 | Very high | 92 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -47.3 | -41.2 | 169.9 | -34.1 | 35.4 | 0 | 0 | 0 | 114.7 | L222 L223 L229 S230 F421 E424 L425 | L222-P226 WeakPolarHBondContact O-CD 3.34Å; L223-P226 VanDerWaalsContact O-CD 3.26Å; L223-P226 WeakPolarHBondContact O-CD 3.34Å; P226-L229 CarbonylContact O-C 3.59Å; P226-L229 WeakPolarHBondContact O-CB 3.36Å; P226-L229 PolarHBondContact O-N 2.99Å; P226-S230 WeakPolarHBondContact O-CB 3.3Å; P226-S230 PolarHBondContact O-N 2.92Å; P226-S230 PolarHBondContact O-OG 2.94Å; P226-S230 VanDerWaalsContact O-OG 3.11Å; P226-F421 HydrophobicContact CG-CD2 4.05Å; P226-F421 HydrophobicContact CG-CE2 3.79Å; P226-E424 HydrophobicContact CB-CG 4.19Å; P226-E424 HydrophobicContact CG-CB 4.43Å; P226-E424 HydrophobicContact CG-CG 4.27Å; P226-L425 HydrophobicContact CB-CB 4.04Å; P226-L425 HydrophobicContact CB-CD1 3.99Å; P226-L425 HydrophobicContact CG-CB 4.49Å |
| 227 | S | 90.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -53.7 | -174.3 | -29.9 | 0 | 0 | 0 | 0 | 114.3 | L225 L229 S230 L231 E428 F432 S449 | L225-S227 PolarHBondContact O-N 3.42Å; S227-L229 VanDerWaalsContact C-N 3.27Å; S227-L229 PolarHBondContact O-N 2.76Å; S227-S230 PolarHBondContact O-N 2.81Å; S227-L231 PolarHBondContact O-N 2.77Å; S227-L231 VanDerWaalsContact O-N 3.09Å; S227-E428 VanDerWaalsContact CB-OE1 3.23Å; S227-E428 WeakPolarHBondContact CB-OE1 3.4Å; S227-E428 PolarHBondContact OG-OE1 3.16Å; S227-F432 VanDerWaalsContact O-CE2 3.31Å; S227-F432 WeakPolarHBondContact O-CE2 3.5Å; S227-S449 WeakPolarHBondContact CB-OG 3.2Å; S227-S449 PolarHBondContact OG-OG 2.88Å; S227-S449 VanDerWaalsContact OG-OG 3.1Å |
| 228 | P | 90.8 | Very high | 91.1 | Very high | 56 Ų | 56 | 60 Ų | 60 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.1 | -30 | 173.5 | 25.9 | -34.4 | 0 | 0 | 0 | 112.7 | S224 L225 L232 L446 | S224-P228 WeakPolarHBondContact O-CD 3.44Å; L225-P228 WeakPolarHBondContact O-CD 3.11Å; L225-P228 VanDerWaalsContact O-CG 3.3Å; L225-P228 WeakPolarHBondContact O-CG 3.34Å; P228-L232 WeakPolarHBondContact O-CB 3.37Å; P228-L232 PolarHBondContact O-N 3.21Å; P228-L446 HydrophobicContact CB-CD1 4.22Å |
| 229 | L | 90.7 | Very high | 90.4 | Very high | 89 Ų | 89 | 59 Ų | 59 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 175 | -180 | 61 | 0 | 0 | 0 | 111.6 | L225 P226 S227 L232 L233 L425 | L225-L229 WeakPolarHBondContact O-CB 3.34Å; L225-L229 PolarHBondContact O-N 3.16Å; P226-L229 CarbonylContact O-C 3.59Å; P226-L229 WeakPolarHBondContact O-CB 3.36Å; P226-L229 PolarHBondContact O-N 2.99Å; S227-L229 VanDerWaalsContact C-N 3.27Å; S227-L229 PolarHBondContact O-N 2.76Å; L229-L232 WeakPolarHBondContact O-CB 3.33Å; L229-L232 PolarHBondContact O-N 3.34Å; L229-L233 WeakPolarHBondContact O-CB 3.36Å; L229-L233 PolarHBondContact O-N 3.46Å; L229-L425 HydrophobicContact CB-CD1 4.43Å; L229-L425 HydrophobicContact CD2-CD1 3.97Å; L229-L425 HydrophobicContact CG-CD1 4.21Å |
| 230 | S | 89.9 | Confident | 89.8 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 175.1 | -73.4 | 0 | 0 | 0 | 0 | 111.5 | P226 S227 L232 L233 L234 L425 L429 | P226-S230 WeakPolarHBondContact O-CB 3.3Å; P226-S230 PolarHBondContact O-N 2.92Å; P226-S230 PolarHBondContact O-OG 2.94Å; P226-S230 VanDerWaalsContact O-OG 3.11Å; S227-S230 PolarHBondContact O-N 2.81Å; S230-L232 VanDerWaalsContact C-N 3.33Å; S230-L232 PolarHBondContact O-N 3.14Å; S230-L233 PolarHBondContact O-N 3.47Å; S230-L234 WeakPolarHBondContact O-CG 3.42Å; S230-L234 PolarHBondContact O-N 3.11Å; S230-L425 WeakPolarHBondContact OG-CD1 3.34Å; S230-L425 PolarHBondContact OG-O 3.07Å; S230-L429 WeakPolarHBondContact O-CD1 3.28Å |
| 231 | L | 89.9 | Confident | 89.2 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 174.6 | -77.9 | 178.5 | 0 | 0 | 0 | 113.2 | S227 R235 F432 F442 L445 L446 | S227-L231 PolarHBondContact O-N 2.77Å; S227-L231 VanDerWaalsContact O-N 3.09Å; L231-R235 WeakPolarHBondContact O-CG 3.1Å; L231-F432 HydrophobicContact CD1-CD2 4.49Å; L231-F432 HydrophobicContact CD1-CE2 4.24Å; L231-F432 HydrophobicContact CD1-CZ 4.31Å; L231-F432 HydrophobicContact CD2-CB 3.83Å; L231-F432 HydrophobicContact CD2-CD1 3.99Å; L231-F432 HydrophobicContact CD2-CD2 3.7Å; L231-F432 HydrophobicContact CD2-CE2 4.25Å; L231-F432 HydrophobicContact CD2-CG 3.55Å; L231-F432 HydrophobicContact CG-CD1 4.44Å; L231-F432 HydrophobicContact CG-CD2 3.59Å; L231-F432 HydrophobicContact CG-CE2 3.74Å; L231-F432 HydrophobicContact CG-CG 3.98Å; L231-F432 HydrophobicContact CG-CZ 4.25Å; L231-F442 HydrophobicContact CB-CD2 4.38Å; L231-F442 HydrophobicContact CB-CE2 3.57Å; L231-F442 HydrophobicContact CB-CZ 3.92Å; L231-F442 HydrophobicContact CD1-CE2 4.17Å; L231-F442 HydrophobicContact CD1-CZ 4.17Å; L231-F442 HydrophobicContact CD2-CD2 4.27Å; L231-F442 HydrophobicContact CD2-CE2 4.28Å; L231-F442 HydrophobicContact CG-CE2 4.23Å; L231-L445 HydrophobicContact CD1-CB 4.46Å; L231-L445 HydrophobicContact CD2-CB 4.39Å; L231-L445 HydrophobicContact CD2-CD1 4.2Å; L231-L446 HydrophobicContact CD1-CB 4.28Å; L231-L446 HydrophobicContact CD1-CD1 4.37Å |
| 232 | L | 89.5 | Confident | 88.7 | Confident | 93 Ų | 93 | 70.3 Ų | 70.3 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 173.8 | -179.9 | 64.6 | 0 | 0 | 0 | 110.9 | P228 L229 S230 L234 R235 L236 | P228-L232 WeakPolarHBondContact O-CB 3.37Å; P228-L232 PolarHBondContact O-N 3.21Å; L229-L232 WeakPolarHBondContact O-CB 3.33Å; L229-L232 PolarHBondContact O-N 3.34Å; S230-L232 VanDerWaalsContact C-N 3.33Å; S230-L232 PolarHBondContact O-N 3.14Å; L232-L234 VanDerWaalsContact C-N 3.31Å; L232-L234 PolarHBondContact O-N 3.05Å; L232-R235 WeakPolarHBondContact O-CA 3.45Å; L232-R235 WeakPolarHBondContact O-CB 3.44Å; L232-R235 PolarHBondContact O-N 3.43Å; L232-L236 HydrophobicContact CD1-CD1 3.44Å; L232-L236 VanDerWaalsContact CD1-CD1 3.44Å; L232-L236 HydrophobicContact CG-CD1 3.87Å; L232-L236 VanDerWaalsContact O-CD1 3.24Å; L232-L236 WeakPolarHBondContact O-CD1 3.24Å; L232-L236 PolarHBondContact O-N 3.44Å |
| 233 | L | 88.4 | Confident | 88.1 | Confident | 58 Ų | 58 | 75.7 Ų | 75.7 | 30% | 0.304 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 178.8 | -167.1 | 70.7 | 0 | 0 | 0 | 111.3 | L229 S230 R235 L236 L237 L245 L429 | L229-L233 WeakPolarHBondContact O-CB 3.36Å; L229-L233 PolarHBondContact O-N 3.46Å; S230-L233 PolarHBondContact O-N 3.47Å; L233-R235 PolarHBondContact O-N 3.44Å; L233-R235 VanDerWaalsContact O-N 3.14Å; L233-L236 PolarHBondContact O-N 3.28Å; L233-L237 HydrophobicContact CD1-CD1 3.39Å; L233-L237 HydrophobicContact CD1-CD2 4.3Å; L233-L237 HydrophobicContact CD1-CG 4.49Å; L233-L237 HydrophobicContact CG-CD1 3.84Å; L233-L237 HydrophobicContact CG-CD2 4.15Å; L233-L237 WeakPolarHBondContact O-CD1 3.39Å; L233-L237 PolarHBondContact O-N 3.03Å; L233-L245 HydrophobicContact CD2-CD2 4.4Å; L233-L429 HydrophobicContact CB-CD1 4.18Å; L233-L429 HydrophobicContact CD2-CD1 3.9Å; L233-L429 HydrophobicContact CD2-CD2 4.35Å; L233-L429 HydrophobicContact CG-CD1 4.45Å |
| 234 | L | 88.6 | Confident | 87.7 | Confident | 21 Ų | 21 | 76.8 Ų | 76.8 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.7 | -22.9 | 174.4 | -75.7 | 166 | 0 | 0 | 0 | 113.7 | S230 L232 L242 L429 F432 A433 L436 | S230-L234 WeakPolarHBondContact O-CG 3.42Å; S230-L234 PolarHBondContact O-N 3.11Å; L232-L234 VanDerWaalsContact C-N 3.31Å; L232-L234 PolarHBondContact O-N 3.05Å; L234-L242 HydrophobicContact CD2-CD1 3.62Å; L234-L242 HydrophobicContact CD2-CD2 3.83Å; L234-L242 HydrophobicContact CD2-CG 4.31Å; L234-L429 HydrophobicContact CD1-CD1 4.25Å; L234-L429 HydrophobicContact CD2-CD1 4.29Å; L234-L429 HydrophobicContact CG-CD1 3.79Å; L234-L429 HydrophobicContact CG-CG 4.46Å; L234-F432 HydrophobicContact CD1-CB 3.54Å; L234-A433 HydrophobicContact CD2-CB 4.08Å; L234-L436 HydrophobicContact CD1-CD1 4.09Å |
| 235 | R | 87.3 | Confident | 87.4 | Confident | 161 Ų | 161 | 77.3 Ų | 77.3 | 61% | 0.608 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -89.7 | -32.8 | 176.5 | -70.2 | -69.3 | 175 | 116 | -5.9 | 113.6 | L231 L232 L233 | L231-R235 WeakPolarHBondContact O-CG 3.1Å; L232-R235 WeakPolarHBondContact O-CA 3.45Å; L232-R235 WeakPolarHBondContact O-CB 3.44Å; L232-R235 PolarHBondContact O-N 3.43Å; L233-R235 PolarHBondContact O-N 3.44Å; L233-R235 VanDerWaalsContact O-N 3.14Å |
| 236 | L | 88.9 | Confident | 87.2 | Confident | 123 Ų | 123 | 74.4 Ų | 74.4 | 64% | 0.644 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -82.3 | -28.9 | -177.3 | -89.7 | 70.2 | 0 | 0 | 0 | 112.3 | L232 L233 | L232-L236 HydrophobicContact CD1-CD1 3.44Å; L232-L236 VanDerWaalsContact CD1-CD1 3.44Å; L232-L236 HydrophobicContact CG-CD1 3.87Å; L232-L236 VanDerWaalsContact O-CD1 3.24Å; L232-L236 WeakPolarHBondContact O-CD1 3.24Å; L232-L236 PolarHBondContact O-N 3.44Å; L233-L236 PolarHBondContact O-N 3.28Å |
| 237 | L | 87.2 | Confident | 87 | Confident | 37 Ų | 37 | 75.1 Ų | 75.1 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -84.9 | 136.2 | -174.4 | -89.9 | 61.7 | 0 | 0 | 0 | 112.7 | L233 L241 L245 | L233-L237 HydrophobicContact CD1-CD1 3.39Å; L233-L237 HydrophobicContact CD1-CD2 4.3Å; L233-L237 HydrophobicContact CD1-CG 4.49Å; L233-L237 HydrophobicContact CG-CD1 3.84Å; L233-L237 HydrophobicContact CG-CD2 4.15Å; L233-L237 WeakPolarHBondContact O-CD1 3.39Å; L233-L237 PolarHBondContact O-N 3.03Å; L237-L241 HydrophobicContact CD2-CD2 4.41Å; L237-L241 HydrophobicContact CG-CD2 4.43Å; L237-L245 HydrophobicContact CD2-CD2 3.17Å |
| 238 | E | 85.9 | Confident | 87 | Confident | 140 Ų | 140 | 77 Ų | 77 | 65% | 0.654 | 37% | 0.372 | S | S | * | . | trans | -66.6 | 145.6 | 172.4 | -64.1 | -168.4 | 132.7 | 0 | 0 | 111.4 | R240 L241 L242 | E238-R240 PolarHBondContact O-N 3.34Å; E238-L241 PolarHBondContact O-N 2.93Å; E238-L242 PolarHBondContact O-N 3.47Å; E238-L242 VanDerWaalsContact O-N 3.09Å | ||
| 239 | P | 81.8 | Confident | 87 | Confident | 99 Ų | 99 | 75.3 Ų | 75.3 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -56.8 | -22.3 | -178.6 | -26.6 | 34.1 | 0 | 0 | 0 | 114.9 | ||
| 240 | R | 83.1 | Confident | 87 | Confident | 227 Ų | 227 | 71.5 Ų | 71.5 | 86% | 0.857 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -72.8 | -38.6 | 179.3 | -64.5 | -177.4 | 178.4 | -174.8 | 0.9 | 112.6 | E238 P244 | E238-R240 PolarHBondContact O-N 3.34Å; R240-P244 VanDerWaalsContact O-CD 3.32Å; R240-P244 WeakPolarHBondContact O-CD 3.26Å |
| 241 | L | 83.6 | Confident | 87.1 | Confident | 105 Ų | 105 | 71.5 Ų | 71.5 | 55% | 0.55 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -85 | -29.4 | 177.9 | -176.5 | 62.2 | 0 | 0 | 0 | 111.5 | L237 E238 R243 P244 L245 | L237-L241 HydrophobicContact CD2-CD2 4.41Å; L237-L241 HydrophobicContact CG-CD2 4.43Å; E238-L241 PolarHBondContact O-N 2.93Å; L241-R243 PolarHBondContact O-N 3.03Å; L241-P244 VanDerWaalsContact O-CD 3.26Å; L241-P244 WeakPolarHBondContact O-CD 3.31Å; L241-P244 VanDerWaalsContact O-CG 3.31Å; L241-P244 WeakPolarHBondContact O-CG 3.4Å; L241-L245 VanDerWaalsContact O-CB 3.26Å; L241-L245 WeakPolarHBondContact O-CB 3.33Å; L241-L245 PolarHBondContact O-N 2.8Å; L241-L245 VanDerWaalsContact O-N 3.16Å |
| 242 | L | 84 | Confident | 87.3 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | -175.4 | -177.4 | 60.8 | 0 | 0 | 0 | 113.2 | L234 E238 L245 L246 | L234-L242 HydrophobicContact CD2-CD1 3.62Å; L234-L242 HydrophobicContact CD2-CD2 3.83Å; L234-L242 HydrophobicContact CD2-CG 4.31Å; E238-L242 PolarHBondContact O-N 3.47Å; E238-L242 VanDerWaalsContact O-N 3.09Å; L242-L245 PolarHBondContact O-N 2.84Å; L242-L246 HydrophobicContact CD1-CD1 4Å; L242-L246 HydrophobicContact CD1-CD2 4.38Å; L242-L246 HydrophobicContact CD1-CG 3.91Å; L242-L246 HydrophobicContact CD2-CD1 4.41Å; L242-L246 HydrophobicContact CG-CD1 3.78Å; L242-L246 HydrophobicContact CG-CG 4.17Å; L242-L246 WeakPolarHBondContact O-CB 3.19Å; L242-L246 VanDerWaalsContact O-CG 3.24Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.36Å |
| 243 | R | 83.2 | Confident | 87.5 | Confident | 201 Ų | 201 | 68 Ų | 68 | 76% | 0.758 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.4 | -54.4 | -179 | -65.8 | -177.7 | -174 | -171.3 | 0.2 | 114 | L241 L245 L246 G247 | L241-R243 PolarHBondContact O-N 3.03Å; R243-L245 VanDerWaalsContact C-N 3.26Å; R243-L245 PolarHBondContact O-N 3.02Å; R243-L246 PolarHBondContact O-N 3.42Å; R243-G247 PolarHBondContact O-N 3.46Å |
| 244 | P | 84.8 | Confident | 87.8 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 22% | 0.221 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.5 | -34.1 | 176.3 | 22.4 | -31.3 | 0 | 0 | 0 | 112 | R240 L241 G247 F248 L511 | R240-P244 VanDerWaalsContact O-CD 3.32Å; R240-P244 WeakPolarHBondContact O-CD 3.26Å; L241-P244 VanDerWaalsContact O-CD 3.26Å; L241-P244 WeakPolarHBondContact O-CD 3.31Å; L241-P244 VanDerWaalsContact O-CG 3.31Å; L241-P244 WeakPolarHBondContact O-CG 3.4Å; P244-G247 PolarHBondContact O-N 3.48Å; P244-F248 PolarHBondContact O-N 3.35Å; P244-L511 HydrophobicContact CB-CD2 4.21Å |
| 245 | L | 86.1 | Confident | 88.1 | Confident | 45 Ų | 45 | 64.8 Ų | 64.8 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 176.9 | -177.8 | 66.2 | 0 | 0 | 0 | 112.4 | L233 L237 L241 L242 R243 G247 F248 L249 | L233-L245 HydrophobicContact CD2-CD2 4.4Å; L237-L245 HydrophobicContact CD2-CD2 3.17Å; L241-L245 VanDerWaalsContact O-CB 3.26Å; L241-L245 WeakPolarHBondContact O-CB 3.33Å; L241-L245 PolarHBondContact O-N 2.8Å; L241-L245 VanDerWaalsContact O-N 3.16Å; L242-L245 PolarHBondContact O-N 2.84Å; R243-L245 VanDerWaalsContact C-N 3.26Å; R243-L245 PolarHBondContact O-N 3.02Å; L245-G247 VanDerWaalsContact C-N 3.3Å; L245-G247 PolarHBondContact O-N 3.12Å; L245-F248 HydrophobicContact CD1-CD1 4.44Å; L245-F248 PolarHBondContact O-N 2.82Å; L245-L249 HydrophobicContact CD1-CD1 3.85Å; L245-L249 HydrophobicContact CD1-CG 4.01Å; L245-L249 HydrophobicContact CD2-CD1 4.22Å; L245-L249 HydrophobicContact CG-CD1 3.7Å; L245-L249 HydrophobicContact CG-CG 4.23Å; L245-L249 WeakPolarHBondContact O-CB 3.45Å; L245-L249 WeakPolarHBondContact O-CG 3.47Å; L245-L249 PolarHBondContact O-N 3.42Å |
| 246 | L | 86.3 | Confident | 88.5 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.5 | -74.5 | 168.9 | 0 | 0 | 0 | 111.7 | L242 R243 G250 L429 A433 | L242-L246 HydrophobicContact CD1-CD1 4Å; L242-L246 HydrophobicContact CD1-CD2 4.38Å; L242-L246 HydrophobicContact CD1-CG 3.91Å; L242-L246 HydrophobicContact CD2-CD1 4.41Å; L242-L246 HydrophobicContact CG-CD1 3.78Å; L242-L246 HydrophobicContact CG-CG 4.17Å; L242-L246 WeakPolarHBondContact O-CB 3.19Å; L242-L246 VanDerWaalsContact O-CG 3.24Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.36Å; R243-L246 PolarHBondContact O-N 3.42Å; L246-G250 PolarHBondContact O-N 3Å; L246-L429 HydrophobicContact CD2-CD2 3.59Å; L246-L429 HydrophobicContact CD2-CG 3.81Å; L246-L429 HydrophobicContact CG-CD2 4.49Å; L246-A433 HydrophobicContact CD1-CB 3.72Å; L246-A433 HydrophobicContact CD2-CB 3.77Å; L246-A433 HydrophobicContact CG-CB 4.44Å |
| 247 | G | 86.6 | Confident | 88.8 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 18% | 0.175 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R243 P244 L245 A251 | R243-G247 PolarHBondContact O-N 3.46Å; P244-G247 PolarHBondContact O-N 3.48Å; L245-G247 VanDerWaalsContact C-N 3.3Å; L245-G247 PolarHBondContact O-N 3.12Å; G247-A251 VanDerWaalsContact O-CB 3.28Å; G247-A251 WeakPolarHBondContact O-CB 3.36Å; G247-A251 PolarHBondContact O-N 3.4Å; G247-A251 VanDerWaalsContact O-N 3.15Å |
| 248 | F | 90.8 | Very high | 89.2 | Confident | 40 Ų | 40 | 51 Ų | 51 | 18% | 0.175 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -47.8 | 174.6 | 173.1 | -101.6 | 0 | 0 | 0 | 112.2 | P244 L245 A251 L252 L511 L518 | P244-F248 PolarHBondContact O-N 3.35Å; L245-F248 HydrophobicContact CD1-CD1 4.44Å; L245-F248 PolarHBondContact O-N 2.82Å; F248-A251 WeakPolarHBondContact O-CB 3.31Å; F248-A251 PolarHBondContact O-N 3.35Å; F248-L252 HydrophobicContact CE1-CD2 4.45Å; F248-L252 WeakPolarHBondContact O-CB 3.29Å; F248-L252 PolarHBondContact O-N 3.14Å; F248-L511 HydrophobicContact CB-CD1 4.45Å; F248-L511 HydrophobicContact CB-CD2 4.09Å; F248-L511 HydrophobicContact CB-CG 3.95Å; F248-L511 HydrophobicContact CD2-CD1 3.77Å; F248-L511 HydrophobicContact CD2-CG 3.97Å; F248-L511 WeakPolarHBondContact CD2-O 3.44Å; F248-L511 HydrophobicContact CE2-CD1 4.45Å; F248-L511 HydrophobicContact CG-CD1 4.35Å; F248-L511 HydrophobicContact CG-CG 4.34Å; F248-L518 HydrophobicContact CZ-CD2 3.89Å |
| 249 | L | 90.4 | Very high | 89.7 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.9 | -39.8 | -177.5 | -75.8 | 175.3 | 0 | 0 | 0 | 112.2 | L245 A251 L252 A253 P426 L429 | L245-L249 HydrophobicContact CD1-CD1 3.85Å; L245-L249 HydrophobicContact CD1-CG 4.01Å; L245-L249 HydrophobicContact CD2-CD1 4.22Å; L245-L249 HydrophobicContact CG-CD1 3.7Å; L245-L249 HydrophobicContact CG-CG 4.23Å; L245-L249 WeakPolarHBondContact O-CB 3.45Å; L245-L249 WeakPolarHBondContact O-CG 3.47Å; L245-L249 PolarHBondContact O-N 3.42Å; L249-A251 VanDerWaalsContact C-N 3.28Å; L249-A251 PolarHBondContact O-N 3.19Å; L249-L252 HydrophobicContact CD2-CD2 3.98Å; L249-L252 WeakPolarHBondContact O-CB 3.21Å; L249-L252 PolarHBondContact O-N 2.99Å; L249-A253 PolarHBondContact O-N 3.07Å; L249-P426 HydrophobicContact CB-CB 3.93Å; L249-P426 HydrophobicContact CD2-CB 4.01Å; L249-P426 HydrophobicContact CD2-CG 4.2Å; L249-P426 WeakPolarHBondContact O-CB 3.43Å; L249-L429 HydrophobicContact CD1-CD2 3.22Å; L249-L429 HydrophobicContact CG-CD2 4.5Å |
| 250 | G | 90.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 8% | 0.082 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -38.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | L246 A253 V254 | L246-G250 PolarHBondContact O-N 3Å; G250-A253 PolarHBondContact O-N 2.88Å; G250-V254 WeakPolarHBondContact O-CG2 3.46Å; G250-V254 PolarHBondContact O-N 2.81Å |
| 251 | A | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.8 | -37 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G247 F248 L249 V254 G255 L497 Q512 L516 | G247-A251 VanDerWaalsContact O-CB 3.28Å; G247-A251 WeakPolarHBondContact O-CB 3.36Å; G247-A251 PolarHBondContact O-N 3.4Å; G247-A251 VanDerWaalsContact O-N 3.15Å; F248-A251 WeakPolarHBondContact O-CB 3.31Å; F248-A251 PolarHBondContact O-N 3.35Å; L249-A251 VanDerWaalsContact C-N 3.28Å; L249-A251 PolarHBondContact O-N 3.19Å; A251-V254 PolarHBondContact O-N 3.44Å; A251-G255 PolarHBondContact O-N 2.8Å; A251-L497 HydrophobicContact CB-CD1 4.02Å; A251-Q512 HydrophobicContact CB-CB 3.98Å; A251-Q512 HydrophobicContact CB-CG 4.25Å; A251-Q512 VanDerWaalsContact CB-O 3.23Å; A251-Q512 WeakPolarHBondContact CB-O 3.42Å; A251-L516 HydrophobicContact CB-CG 4.14Å; A251-L516 WeakPolarHBondContact O-CA 3.45Å; A251-L516 WeakPolarHBondContact O-CD2 3.28Å; A251-L516 PolarHBondContact O-N 3.49Å |
| 252 | L | 94.8 | Very high | 91.4 | Very high | 21 Ų | 21 | 28.1 Ų | 28.1 | 11% | 0.11 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 171.3 | -173.6 | 70 | 0 | 0 | 0 | 111 | F248 L249 V254 G255 T256 P426 G515 L518 | F248-L252 HydrophobicContact CE1-CD2 4.45Å; F248-L252 WeakPolarHBondContact O-CB 3.29Å; F248-L252 PolarHBondContact O-N 3.14Å; L249-L252 HydrophobicContact CD2-CD2 3.98Å; L249-L252 WeakPolarHBondContact O-CB 3.21Å; L249-L252 PolarHBondContact O-N 2.99Å; L252-V254 PolarHBondContact O-N 3.28Å; L252-G255 PolarHBondContact O-N 3.24Å; L252-G255 VanDerWaalsContact O-N 3.14Å; L252-T256 PolarHBondContact O-N 2.85Å; L252-T256 PolarHBondContact O-OG1 3.16Å; L252-P426 HydrophobicContact CD2-CG 3.83Å; L252-P426 HydrophobicContact CG-CG 4.29Å; L252-G515 WeakPolarHBondContact CA-O 3.33Å; L252-G515 WeakPolarHBondContact CD1-O 3.41Å; L252-L518 HydrophobicContact CD1-CB 3.96Å; L252-L518 HydrophobicContact CD1-CD2 3.95Å; L252-L518 HydrophobicContact CD1-CG 3.92Å |
| 253 | A | 93.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.2 | -46.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L249 G250 G255 T256 L257 P426 H427 M493 | L249-A253 PolarHBondContact O-N 3.07Å; G250-A253 PolarHBondContact O-N 2.88Å; A253-G255 VanDerWaalsContact C-N 3.29Å; A253-G255 PolarHBondContact O-N 3.31Å; A253-T256 WeakPolarHBondContact CA-OG1 3.44Å; A253-T256 PolarHBondContact O-N 3.39Å; A253-T256 PolarHBondContact O-OG1 3.44Å; A253-T256 VanDerWaalsContact O-OG1 3.12Å; A253-L257 VanDerWaalsContact O-CB 3.28Å; A253-L257 WeakPolarHBondContact O-CB 3.41Å; A253-L257 WeakPolarHBondContact O-CG 3.43Å; A253-L257 PolarHBondContact O-N 3.09Å; A253-P426 HydrophobicContact CB-CB 3.96Å; A253-H427 HydrophobicContact CB-CB 4.49Å; A253-M493 HydrophobicContact CB-SD 4.37Å |
| 254 | V | 94.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | G250 A251 L252 C258 A489 M493 L494 L497 L516 | G250-V254 WeakPolarHBondContact O-CG2 3.46Å; G250-V254 PolarHBondContact O-N 2.81Å; A251-V254 PolarHBondContact O-N 3.44Å; L252-V254 PolarHBondContact O-N 3.28Å; V254-C258 VanDerWaalsContact O-CB 3.3Å; V254-C258 WeakPolarHBondContact O-CB 3.26Å; V254-C258 PolarHBondContact O-N 3.01Å; V254-C258 PolarHBondContact O-SG 3.47Å; V254-A489 HydrophobicContact CG1-CB 4.43Å; V254-M493 HydrophobicContact CG2-CB 3.5Å; V254-M493 VanDerWaalsContact CG2-CB 3.5Å; V254-L494 HydrophobicContact CG1-CB 4.38Å; V254-L494 HydrophobicContact CG1-CD1 4.37Å; V254-L494 HydrophobicContact CG2-CB 4.39Å; V254-L497 HydrophobicContact CB-CD1 4.36Å; V254-L497 HydrophobicContact CG2-CD1 3.7Å; V254-L516 HydrophobicContact CB-CD2 3.73Å; V254-L516 HydrophobicContact CG1-CD2 3.57Å |
| 255 | G | 95.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 19 Ų | 19 | 7% | 0.072 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A251 L252 A253 G259 G520 | A251-G255 PolarHBondContact O-N 2.8Å; L252-G255 PolarHBondContact O-N 3.24Å; L252-G255 VanDerWaalsContact O-N 3.14Å; A253-G255 VanDerWaalsContact C-N 3.29Å; A253-G255 PolarHBondContact O-N 3.31Å; G255-G259 PolarHBondContact O-N 2.95Å; G255-G520 PolarHBondContact O-N 2.97Å |
| 256 | T | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.9 | -40.3 | 178.5 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | L252 A253 G259 D260 C422 H423 G519 L522 M523 | L252-T256 PolarHBondContact O-N 2.85Å; L252-T256 PolarHBondContact O-OG1 3.16Å; A253-T256 WeakPolarHBondContact CA-OG1 3.44Å; A253-T256 PolarHBondContact O-N 3.39Å; A253-T256 PolarHBondContact O-OG1 3.44Å; A253-T256 VanDerWaalsContact O-OG1 3.12Å; T256-G259 PolarHBondContact O-N 2.83Å; T256-D260 VanDerWaalsContact O-CB 3.27Å; T256-D260 WeakPolarHBondContact O-CB 3.38Å; T256-D260 PolarHBondContact O-N 3.37Å; T256-C422 HydrophobicContact CG2-CB 4.11Å; T256-H423 WeakPolarHBondContact OG1-CA 3.42Å; T256-H423 WeakPolarHBondContact OG1-CB 3.5Å; T256-G519 VanDerWaalsContact CG2-CA 3.41Å; T256-L522 HydrophobicContact CG2-CD2 4.41Å; T256-M523 HydrophobicContact CG2-CG 4.33Å; T256-M523 VanDerWaalsContact O-CG 3.3Å; T256-M523 WeakPolarHBondContact O-CG 3.4Å |
| 257 | L | 94.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 18.7 Ų | 18.7 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.4 | -46.4 | 175 | -76.7 | 165.6 | 0 | 0 | 0 | 112.3 | A253 G259 D260 A261 H423 F485 V488 A489 | A253-L257 VanDerWaalsContact O-CB 3.28Å; A253-L257 WeakPolarHBondContact O-CB 3.41Å; A253-L257 WeakPolarHBondContact O-CG 3.43Å; A253-L257 PolarHBondContact O-N 3.09Å; L257-G259 VanDerWaalsContact C-N 3.3Å; L257-G259 PolarHBondContact O-N 2.9Å; L257-D260 PolarHBondContact O-N 3.05Å; L257-A261 WeakPolarHBondContact O-CB 3.4Å; L257-A261 PolarHBondContact O-N 3.45Å; L257-H423 HydrophobicContact CD2-CB 4.1Å; L257-H423 HydrophobicContact CG-CB 3.86Å; L257-F485 HydrophobicContact CD2-CB 4.3Å; L257-F485 HydrophobicContact CD2-CD1 4.37Å; L257-F485 HydrophobicContact CD2-CG 4.17Å; L257-V488 HydrophobicContact CD1-CG1 4.15Å; L257-A489 HydrophobicContact CB-CB 3.72Å; L257-A489 HydrophobicContact CD1-CB 4.22Å |
| 258 | C | 96.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 18.8 Ų | 18.8 | 17% | 0.169 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 174.8 | -66.3 | 0 | 0 | 0 | 0 | 111.2 | V254 L262 | V254-C258 VanDerWaalsContact O-CB 3.3Å; V254-C258 WeakPolarHBondContact O-CB 3.26Å; V254-C258 PolarHBondContact O-N 3.01Å; V254-C258 PolarHBondContact O-SG 3.47Å; C258-L262 WeakPolarHBondContact O-CB 3.36Å; C258-L262 WeakPolarHBondContact O-CG 3.45Å; C258-L262 PolarHBondContact O-N 3.33Å |
| 259 | G | 95.1 | Very high | 92.4 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 6% | 0.062 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G255 T256 L257 L262 L263 | G255-G259 PolarHBondContact O-N 2.95Å; T256-G259 PolarHBondContact O-N 2.83Å; L257-G259 VanDerWaalsContact C-N 3.3Å; L257-G259 PolarHBondContact O-N 2.9Å; G259-L262 PolarHBondContact O-N 3.22Å; G259-L263 WeakPolarHBondContact O-CA 3.05Å; G259-L263 VanDerWaalsContact O-CB 3.24Å; G259-L263 WeakPolarHBondContact O-CB 3.5Å; G259-L263 PolarHBondContact O-N 3.09Å |
| 260 | D | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -63.7 | -46.6 | 177.7 | -164.8 | 1.8 | 0 | 0 | 0 | 110.8 | T256 L257 L262 H264 L265 H423 F485 M523 | T256-D260 VanDerWaalsContact O-CB 3.27Å; T256-D260 WeakPolarHBondContact O-CB 3.38Å; T256-D260 PolarHBondContact O-N 3.37Å; L257-D260 PolarHBondContact O-N 3.05Å; D260-L262 PolarHBondContact O-N 2.85Å; D260-H264 WeakPolarHBondContact O-CB 3.41Å; D260-H264 PolarHBondContact O-N 3.45Å; D260-H264 IonicContact OD1-CE1 3.95Å; D260-H264 IonicContact OD1-CG 3.14Å; D260-H264 IonicContact OD1-ND1 3.87Å; D260-H264 PolarHBondContact OD1-ND1 3.25Å; D260-L265 PolarHBondContact O-N 2.98Å; D260-H423 IonicContact OD2-CE1 3.91Å; D260-H423 PolarHBondContact OD2-CE1 3.48Å; D260-H423 IonicContact OD2-ND1 3.64Å; D260-F485 HydrophobicContact CB-CD2 4.2Å; D260-F485 HydrophobicContact CB-CE2 4.44Å; D260-F485 WeakPolarHBondContact OD2-CE2 2.96Å; D260-M523 HydrophobicContact CB-CE 3.73Å; D260-M523 HydrophobicContact CB-SD 4.34Å |
| 261 | A | 95.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -59.1 | -47.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | L257 L266 A482 F485 L486 | L257-A261 WeakPolarHBondContact O-CB 3.4Å; L257-A261 PolarHBondContact O-N 3.45Å; A261-L266 WeakPolarHBondContact O-CB 3.43Å; A261-L266 PolarHBondContact O-N 3.15Å; A261-A482 HydrophobicContact CB-CB 4.02Å; A261-A482 WeakPolarHBondContact CB-O 3.3Å; A261-F485 HydrophobicContact CB-CB 4.03Å; A261-L486 HydrophobicContact CB-CD1 4.35Å; A261-L486 HydrophobicContact CB-CD2 4.19Å; A261-L486 HydrophobicContact CB-CG 3.73Å |
| 262 | L | 94.9 | Very high | 88.9 | Confident | 85 Ų | 85 | 28.2 Ų | 28.2 | 45% | 0.445 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -93.3 | -36.1 | -168.3 | -65.4 | 176.5 | 0 | 0 | 0 | 114.6 | C258 G259 D260 L266 P267 L486 | C258-L262 WeakPolarHBondContact O-CB 3.36Å; C258-L262 WeakPolarHBondContact O-CG 3.45Å; C258-L262 PolarHBondContact O-N 3.33Å; G259-L262 PolarHBondContact O-N 3.22Å; D260-L262 PolarHBondContact O-N 2.85Å; L262-L266 HydrophobicContact CD2-CD2 4.33Å; L262-P267 WeakPolarHBondContact O-CD 3.5Å; L262-L486 HydrophobicContact CD1-CD2 4.41Å; L262-L486 HydrophobicContact CD2-CD1 4.13Å; L262-L486 HydrophobicContact CD2-CD2 4.44Å; L262-L486 HydrophobicContact CG-CD2 4.25Å |
| 263 | L | 91.3 | Very high | 87.1 | Confident | 72 Ų | 72 | 30.6 Ų | 30.6 | 38% | 0.377 | 17% | 0.168 | S | C | . | . | I | π-helix | trans | -102.2 | -13 | -172.3 | -56 | 178.3 | 0 | 0 | 0 | 112.8 | G259 L524 A527 | G259-L263 WeakPolarHBondContact O-CA 3.05Å; G259-L263 VanDerWaalsContact O-CB 3.24Å; G259-L263 WeakPolarHBondContact O-CB 3.5Å; G259-L263 PolarHBondContact O-N 3.09Å; L263-L524 HydrophobicContact CD1-CB 3.99Å; L263-L524 HydrophobicContact CD1-CD1 4.32Å; L263-A527 WeakPolarHBondContact O-CB 3.3Å |
| 264 | H | 90.3 | Very high | 84.9 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -123.6 | -63.6 | -175.9 | 176.5 | -106.5 | 0 | 0 | 0 | 111.3 | D260 P267 H268 S415 T416 M523 E530 | D260-H264 WeakPolarHBondContact O-CB 3.41Å; D260-H264 PolarHBondContact O-N 3.45Å; D260-H264 IonicContact OD1-CE1 3.95Å; D260-H264 IonicContact OD1-CG 3.14Å; D260-H264 IonicContact OD1-ND1 3.87Å; D260-H264 PolarHBondContact OD1-ND1 3.25Å; H264-P267 WeakPolarHBondContact O-CD 2.96Å; H264-H268 AromaticContact CD2-CE1 3.77Å; H264-H268 AromaticContact NE2-CE1 3.65Å; H264-H268 PolarHBondContact O-N 3.26Å; H264-H268 PolarHBondContact O-ND1 3.4Å; H264-S415 PolarHBondContact NE2-OG 2.81Å; H264-T416 VanDerWaalsContact CE1-CA 3.49Å; H264-T416 WeakPolarHBondContact CE1-CA 3.35Å; H264-T416 PolarHBondContact CE1-OG1 3.3Å; H264-M523 HydrophobicContact CB-CE 4.15Å; H264-E530 IonicContact CD2-OE2 3.6Å |
| 265 | L | 92.1 | Very high | 82.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -71.2 | -39.8 | -177.1 | -65.9 | -176.2 | 0 | 0 | 0 | 114.6 | D260 H268 A269 F478 T481 A482 F485 | D260-L265 PolarHBondContact O-N 2.98Å; L265-H268 PolarHBondContact O-N 3.08Å; L265-A269 PolarHBondContact O-N 3.23Å; L265-F478 HydrophobicContact CD2-CD1 3.84Å; L265-F478 HydrophobicContact CD2-CE1 4.35Å; L265-F478 HydrophobicContact CD2-CG 4.45Å; L265-T481 HydrophobicContact CD1-CG2 3.79Å; L265-A482 HydrophobicContact CB-CB 3.9Å; L265-A482 HydrophobicContact CD1-CB 4.33Å; L265-F485 HydrophobicContact CD1-CD2 3.68Å; L265-F485 HydrophobicContact CD1-CE2 3.5Å; L265-F485 HydrophobicContact CD1-CZ 4.36Å |
| 266 | L | 91.1 | Very high | 79.9 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 20% | 0.199 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -45.2 | 179.8 | 177.3 | 61.8 | 0 | 0 | 0 | 112.8 | A261 L262 H268 A269 Q270 P287 V291 | A261-L266 WeakPolarHBondContact O-CB 3.43Å; A261-L266 PolarHBondContact O-N 3.15Å; L262-L266 HydrophobicContact CD2-CD2 4.33Å; L266-H268 PolarHBondContact O-N 2.92Å; L266-A269 WeakPolarHBondContact O-CB 3.49Å; L266-A269 PolarHBondContact O-N 2.89Å; L266-A269 VanDerWaalsContact O-N 3.1Å; L266-Q270 WeakPolarHBondContact O-CG 3.34Å; L266-Q270 PolarHBondContact O-N 3.15Å; L266-P287 HydrophobicContact CD1-CB 4.22Å; L266-V291 HydrophobicContact CD1-CG2 3.93Å |
| 267 | P | 87.6 | Confident | 77.2 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 25% | 0.247 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.8 | -45.6 | 170.8 | -28.6 | 36.3 | 0 | 0 | 0 | 113.3 | L262 H264 A269 Q270 E271 | L262-P267 WeakPolarHBondContact O-CD 3.5Å; H264-P267 WeakPolarHBondContact O-CD 2.96Å; P267-A269 PolarHBondContact O-N 3.41Å; P267-Q270 WeakPolarHBondContact O-CA 3.35Å; P267-Q270 WeakPolarHBondContact O-CB 3.26Å; P267-Q270 PolarHBondContact O-N 2.98Å; P267-E271 PolarHBondContact O-N 2.91Å |
| 268 | H | 83.5 | Confident | 74.8 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 9% | 0.088 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.5 | -31.6 | 174.9 | -79.2 | 85.4 | 0 | 0 | 0 | 113.1 | H264 L265 L266 Q270 S412 F478 E530 | H264-H268 AromaticContact CD2-CE1 3.77Å; H264-H268 AromaticContact NE2-CE1 3.65Å; H264-H268 PolarHBondContact O-N 3.26Å; H264-H268 PolarHBondContact O-ND1 3.4Å; L265-H268 PolarHBondContact O-N 3.08Å; L266-H268 PolarHBondContact O-N 2.92Å; H268-Q270 VanDerWaalsContact C-N 3.3Å; H268-S412 PolarHBondContact NE2-OG 3.03Å; H268-F478 HydrophobicContact CB-CD2 3.61Å; H268-F478 HydrophobicContact CB-CE2 3.87Å; H268-F478 HydrophobicContact CB-CG 4.27Å; H268-E530 IonicContact CE1-OE1 3.75Å; H268-E530 PolarHBondContact CE1-OE1 3.11Å; H268-E530 IonicContact CE1-OE2 3.35Å; H268-E530 PolarHBondContact CE1-OE2 3.12Å; H268-E530 IonicContact NE2-OE1 3.9Å; H268-E530 PolarHBondContact NE2-OE1 3.48Å; H268-E530 VanDerWaalsContact NE2-OE1 3.14Å; H268-E530 IonicContact NE2-OE2 3.56Å |
| 269 | A | 85.9 | Confident | 72.2 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.5 | -21.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L265 L266 P267 P287 P475 F478 | L265-A269 PolarHBondContact O-N 3.23Å; L266-A269 WeakPolarHBondContact O-CB 3.49Å; L266-A269 PolarHBondContact O-N 2.89Å; L266-A269 VanDerWaalsContact O-N 3.1Å; P267-A269 PolarHBondContact O-N 3.41Å; A269-P287 HydrophobicContact CB-CB 4.37Å; A269-P475 VanDerWaalsContact CB-O 3.26Å; A269-P475 WeakPolarHBondContact CB-O 3.31Å; A269-P475 WeakPolarHBondContact O-CB 3.29Å; A269-F478 HydrophobicContact CB-CB 4.12Å |
| 270 | Q | 81.6 | Confident | 69.7 | Low | 80 Ų | 80 | 60.4 Ų | 60.4 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -90.6 | -40.2 | 180 | -70.4 | 176.3 | -37.2 | 0 | 0 | 112.2 | L266 P267 H268 G272 R273 H274 P287 | L266-Q270 WeakPolarHBondContact O-CG 3.34Å; L266-Q270 PolarHBondContact O-N 3.15Å; P267-Q270 WeakPolarHBondContact O-CA 3.35Å; P267-Q270 WeakPolarHBondContact O-CB 3.26Å; P267-Q270 PolarHBondContact O-N 2.98Å; H268-Q270 VanDerWaalsContact C-N 3.3Å; Q270-G272 PolarHBondContact O-N 3.06Å; Q270-G272 VanDerWaalsContact O-N 3.17Å; Q270-R273 PolarHBondContact O-N 3.3Å; Q270-H274 PolarHBondContact O-CD2 2.92Å; Q270-H274 VanDerWaalsContact O-CD2 3.26Å; Q270-P287 HydrophobicContact CG-CB 3.82Å; Q270-P287 HydrophobicContact CG-CG 3.85Å |
| 271 | E | 63.2 | Low | 67.2 | Low | 141 Ų | 141 | 66 Ų | 66 | 66% | 0.659 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.5 | -31.6 | -179 | -77.9 | 172 | -179.3 | 0 | 0 | 113.2 | P267 R273 | P267-E271 PolarHBondContact O-N 2.91Å; E271-R273 PolarHBondContact O-N 3Å |
| 272 | G | 55.6 | Low | 65 | Low | 47 Ų | 47 | 74.1 Ų | 74.1 | 49% | 0.485 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 2.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q270 | Q270-G272 PolarHBondContact O-N 3.06Å; Q270-G272 VanDerWaalsContact O-N 3.17Å |
| 273 | R | 56.5 | Low | 63.1 | Low | 71 Ų | 71 | 78.5 Ų | 78.5 | 27% | 0.268 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | -8.7 | -168.7 | -55.7 | -164.5 | 119.2 | 168.1 | -8.9 | 116.8 | Q270 E271 A275 W476 | Q270-R273 PolarHBondContact O-N 3.3Å; E271-R273 PolarHBondContact O-N 3Å; R273-A275 VanDerWaalsContact C-N 3.34Å; R273-A275 PolarHBondContact O-N 3.49Å; R273-W476 VanDerWaalsContact CZ-CZ2 3.44Å |
| 274 | H | 46.4 | Very low | 62 | Low | 139 Ų | 139 | 78.9 Ų | 78.9 | 64% | 0.644 | 47% | 0.474 | S | S | * | . | trans | -80.3 | 74.9 | -179 | -68.1 | -54.5 | 0 | 0 | 0 | 113.1 | Q270 | Q270-H274 PolarHBondContact O-CD2 2.92Å; Q270-H274 VanDerWaalsContact O-CD2 3.26Å | ||
| 275 | A | 43.1 | Very low | 61.4 | Low | 63 Ų | 63 | 84 Ų | 84 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | trans | -158.5 | 63.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R273 | R273-A275 VanDerWaalsContact C-N 3.34Å; R273-A275 PolarHBondContact O-N 3.49Å | ||
| 276 | G | 41.8 | Very low | 60.9 | Low | 53 Ų | 53 | 84.4 Ų | 84.4 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | trans | -74.1 | 135 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | G278 | G276-G278 PolarHBondContact O-N 2.83Š| ||
| 277 | P | 39.8 | Very low | 60.6 | Low | 128 Ų | 128 | 82.9 Ų | 82.9 | 83% | 0.831 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -76 | 92.9 | -179.1 | 29.9 | -31.7 | 0 | 0 | 0 | 110 | ||
| 278 | G | 43.3 | Very low | 60.6 | Low | 51 Ų | 51 | 83.1 Ų | 83.1 | 53% | 0.526 | 51% | 0.508 | S | S | . | . | S | Bend | trans | 141.5 | 114.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | G276 L280 | G276-G278 PolarHBondContact O-N 2.83Å; G278-L280 PolarHBondContact O-N 2.85Å |
| 279 | G | 43.1 | Very low | 61 | Low | 95 Ų | 95 | 86.6 Ų | 86.6 | 98% | 0.979 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -65 | 35 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 280 | L | 41.6 | Very low | 61.2 | Low | 145 Ų | 145 | 86.8 Ų | 86.8 | 76% | 0.759 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -83.3 | 135 | 154.8 | -80 | 140 | 0 | 0 | 0 | 107.2 | G278 E282 | G278-L280 PolarHBondContact O-N 2.85Å; L280-E282 PolarHBondContact O-N 3.46Å |
| 281 | P | 42.4 | Very low | 61.9 | Low | 118 Ų | 118 | 84 Ų | 84 | 77% | 0.766 | 52% | 0.516 | S | S | * | . | trans | -66 | 85.3 | 167.1 | 28.4 | -30.7 | 0 | 0 | 0 | 107.6 | E283 | P281-E283 PolarHBondContact O-N 3.04Å; P281-E283 VanDerWaalsContact O-N 3.16Å | ||
| 282 | E | 49.5 | Very low | 63.4 | Low | 170 Ų | 170 | 82.5 Ų | 82.5 | 79% | 0.794 | 51% | 0.512 | S | S | * | . | trans | -63.2 | 112.7 | 154.1 | -92.6 | -153.6 | 122.5 | 0 | 0 | 105.2 | L280 D284 | L280-E282 PolarHBondContact O-N 3.46Å; E282-D284 PolarHBondContact O-N 3.49Å | ||
| 283 | E | 56.5 | Low | 65.2 | Low | 177 Ų | 177 | 81.8 Ų | 81.8 | 83% | 0.827 | 51% | 0.505 | S | S | * | . | trans | -64.1 | 94.7 | 171.2 | -64.9 | -144.5 | 139.5 | 0 | 0 | 107.4 | P281 L285 | P281-E283 PolarHBondContact O-N 3.04Å; P281-E283 VanDerWaalsContact O-N 3.16Å; E283-L285 PolarHBondContact O-N 3.1Å | ||
| 284 | D | 66.4 | Low | 67 | Low | 81 Ų | 81 | 78.4 Ų | 78.4 | 43% | 0.433 | 49% | 0.492 | S | S | . | . | trans | -68.1 | 86.7 | 178.8 | -128 | -17.5 | 0 | 0 | 0 | 107.8 | E282 G286 P287 | E282-D284 PolarHBondContact O-N 3.49Å; D284-G286 PolarHBondContact O-N 3.45Å; D284-G286 VanDerWaalsContact O-N 3.14Å; D284-P287 VanDerWaalsContact O-CD 3.25Å; D284-P287 WeakPolarHBondContact O-CD 2.99Å | ||
| 285 | L | 78.6 | Confident | 69.3 | Low | 107 Ų | 107 | 74.5 Ų | 74.5 | 56% | 0.56 | 48% | 0.476 | S | S | * | . | trans | -72.5 | -4.7 | -175 | -154.1 | 72.1 | 0 | 0 | 0 | 111.7 | E283 G288 L289 | E283-L285 PolarHBondContact O-N 3.1Å; L285-G288 PolarHBondContact O-N 2.91Å; L285-L289 HydrophobicContact CB-CD1 4.22Å; L285-L289 HydrophobicContact CB-CG 4.45Å; L285-L289 HydrophobicContact CD2-CD1 4.18Å; L285-L289 HydrophobicContact CD2-CD2 4.32Å; L285-L289 HydrophobicContact CD2-CG 4.11Å; L285-L289 HydrophobicContact CG-CD1 4.3Å; L285-L289 HydrophobicContact CG-CG 4.08Å; L285-L289 WeakPolarHBondContact O-CB 2.98Å; L285-L289 VanDerWaalsContact O-CG 3.25Å; L285-L289 WeakPolarHBondContact O-CG 3.23Å; L285-L289 PolarHBondContact O-N 3.09Å | ||
| 286 | G | 82.4 | Confident | 71.7 | Confident | 11 Ų | 11 | 77.7 Ų | 77.7 | 11% | 0.113 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -52.8 | -52.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D284 L289 S290 | D284-G286 PolarHBondContact O-N 3.45Å; D284-G286 VanDerWaalsContact O-N 3.14Å; G286-L289 PolarHBondContact O-N 2.99Å; G286-S290 PolarHBondContact O-N 3.42Å; G286-S290 PolarHBondContact O-OG 3Å |
| 287 | P | 84.1 | Confident | 74.1 | Confident | 5 Ų | 5 | 79.7 Ų | 79.7 | 3% | 0.032 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 177.5 | -24.3 | 36.8 | 0 | 0 | 0 | 113 | L266 A269 Q270 D284 S290 V291 | L266-P287 HydrophobicContact CD1-CB 4.22Å; A269-P287 HydrophobicContact CB-CB 4.37Å; Q270-P287 HydrophobicContact CG-CB 3.82Å; Q270-P287 HydrophobicContact CG-CG 3.85Å; D284-P287 VanDerWaalsContact O-CD 3.25Å; D284-P287 WeakPolarHBondContact O-CD 2.99Å; P287-S290 WeakPolarHBondContact CA-OG 3.45Å; P287-S290 PolarHBondContact O-N 3.43Å; P287-S290 PolarHBondContact O-OG 3.14Å; P287-V291 WeakPolarHBondContact O-CG2 3.5Å; P287-V291 PolarHBondContact O-N 2.81Å; P287-V291 VanDerWaalsContact O-N 3.13Å |
| 288 | G | 87.8 | Confident | 76.5 | Confident | 43 Ų | 43 | 74.5 Ų | 74.5 | 44% | 0.443 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L285 V291 L292 | L285-G288 PolarHBondContact O-N 2.91Å; G288-V291 PolarHBondContact O-N 2.74Å; G288-L292 PolarHBondContact O-N 2.96Å |
| 289 | L | 90.6 | Very high | 78.8 | Confident | 93 Ų | 93 | 76.9 Ų | 76.9 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.5 | -36.5 | 176.9 | -74.5 | 169.6 | 0 | 0 | 0 | 112.4 | L285 G286 L292 G293 | L285-L289 HydrophobicContact CB-CD1 4.22Å; L285-L289 HydrophobicContact CB-CG 4.45Å; L285-L289 HydrophobicContact CD2-CD1 4.18Å; L285-L289 HydrophobicContact CD2-CD2 4.32Å; L285-L289 HydrophobicContact CD2-CG 4.11Å; L285-L289 HydrophobicContact CG-CD1 4.3Å; L285-L289 HydrophobicContact CG-CG 4.08Å; L285-L289 WeakPolarHBondContact O-CB 2.98Å; L285-L289 VanDerWaalsContact O-CG 3.25Å; L285-L289 WeakPolarHBondContact O-CG 3.23Å; L285-L289 PolarHBondContact O-N 3.09Å; G286-L289 PolarHBondContact O-N 2.99Å; L289-L292 PolarHBondContact O-N 3.33Å; L289-G293 PolarHBondContact O-N 3.07Å |
| 290 | S | 92.1 | Very high | 81.1 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 4% | 0.035 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.6 | -40.8 | 176.5 | 62 | 0 | 0 | 0 | 0 | 111.7 | G286 P287 G293 G294 G479 | G286-S290 PolarHBondContact O-N 3.42Å; G286-S290 PolarHBondContact O-OG 3Å; P287-S290 WeakPolarHBondContact CA-OG 3.45Å; P287-S290 PolarHBondContact O-N 3.43Å; P287-S290 PolarHBondContact O-OG 3.14Å; S290-G293 WeakPolarHBondContact O-CA 3.31Å; S290-G293 PolarHBondContact O-N 3.3Å; S290-G294 PolarHBondContact O-N 3.09Å; S290-G479 WeakPolarHBondContact OG-CA 3.33Å |
| 291 | V | 95.1 | Very high | 83.3 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 13% | 0.127 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.4 | -51.3 | 170.6 | 174.2 | 0 | 0 | 0 | 0 | 111 | L266 P287 G288 G293 G294 L295 G479 A482 G483 L486 | L266-V291 HydrophobicContact CD1-CG2 3.93Å; P287-V291 WeakPolarHBondContact O-CG2 3.5Å; P287-V291 PolarHBondContact O-N 2.81Å; P287-V291 VanDerWaalsContact O-N 3.13Å; G288-V291 PolarHBondContact O-N 2.74Å; V291-G293 PolarHBondContact O-N 2.56Å; V291-G294 PolarHBondContact O-N 2.71Å; V291-L295 HydrophobicContact CG1-CD1 3.84Å; V291-L295 VanDerWaalsContact O-CD1 3.26Å; V291-L295 WeakPolarHBondContact O-CD1 3.06Å; V291-L295 PolarHBondContact O-N 3.17Å; V291-G479 WeakPolarHBondContact CA-O 3.29Å; V291-G479 WeakPolarHBondContact CG2-O 3.35Å; V291-G479 PolarHBondContact N-O 3.19Å; V291-A482 HydrophobicContact CG2-CB 4.18Å; V291-G483 WeakPolarHBondContact O-CA 3.15Å; V291-L486 HydrophobicContact CG1-CD1 4.02Å |
| 292 | L | 94.6 | Very high | 85.3 | Confident | 109 Ų | 109 | 67.9 Ų | 67.9 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.8 | -37.7 | 177.3 | -171.8 | 67.7 | 0 | 0 | 0 | 111.8 | G288 L289 L295 F296 | G288-L292 PolarHBondContact O-N 2.96Å; L289-L292 PolarHBondContact O-N 3.33Å; L292-L295 PolarHBondContact O-N 2.93Å; L292-F296 WeakPolarHBondContact O-CB 3.44Å; L292-F296 PolarHBondContact O-N 3.1Å |
| 293 | G | 94.4 | Very high | 87.1 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L289 S290 V291 F296 L297 | L289-G293 PolarHBondContact O-N 3.07Å; S290-G293 WeakPolarHBondContact O-CA 3.31Å; S290-G293 PolarHBondContact O-N 3.3Å; V291-G293 PolarHBondContact O-N 2.56Å; G293-F296 PolarHBondContact O-N 3.38Å; G293-L297 VanDerWaalsContact O-CB 3.24Å; G293-L297 WeakPolarHBondContact O-CB 3.16Å; G293-L297 PolarHBondContact O-N 3.34Å |
| 294 | G | 94.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S290 V291 F296 L297 L298 V480 | S290-G294 PolarHBondContact O-N 3.09Å; V291-G294 PolarHBondContact O-N 2.71Å; G294-F296 VanDerWaalsContact C-N 3.33Å; G294-F296 PolarHBondContact O-N 3.25Å; G294-L297 WeakPolarHBondContact O-CB 3.49Å; G294-L297 PolarHBondContact O-N 2.97Å; G294-L298 PolarHBondContact O-N 3.03Å; G294-V480 WeakPolarHBondContact CA-O 3.44Å |
| 295 | L | 94.3 | Very high | 89.3 | Confident | 57 Ų | 57 | 59 Ų | 59 | 30% | 0.298 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 173.9 | -87.6 | 96.2 | 0 | 0 | 0 | 111.3 | V291 L292 L297 F299 G483 L486 | V291-L295 HydrophobicContact CG1-CD1 3.84Å; V291-L295 VanDerWaalsContact O-CD1 3.26Å; V291-L295 WeakPolarHBondContact O-CD1 3.06Å; V291-L295 PolarHBondContact O-N 3.17Å; L292-L295 PolarHBondContact O-N 2.93Å; L295-L297 VanDerWaalsContact C-N 3.33Å; L295-L297 PolarHBondContact O-N 3.47Å; L295-F299 WeakPolarHBondContact O-CB 3.38Å; L295-F299 PolarHBondContact O-N 3.38Å; L295-F299 VanDerWaalsContact O-N 3.08Å; L295-G483 WeakPolarHBondContact CD1-O 3.32Å; L295-G483 WeakPolarHBondContact CG-O 3.19Å; L295-L486 HydrophobicContact CD1-CB 4.32Å; L295-L486 HydrophobicContact CD1-CD1 4.46Å |
| 296 | F | 93.9 | Very high | 89.3 | Confident | 130 Ų | 130 | 54.9 Ų | 54.9 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.9 | -35.8 | -179.4 | -175.3 | -107.9 | 0 | 0 | 0 | 112 | L292 G293 G294 F299 V300 | L292-F296 WeakPolarHBondContact O-CB 3.44Å; L292-F296 PolarHBondContact O-N 3.1Å; G293-F296 PolarHBondContact O-N 3.38Å; G294-F296 VanDerWaalsContact C-N 3.33Å; G294-F296 PolarHBondContact O-N 3.25Å; F296-F299 HydrophobicContact CD2-CD1 4.3Å; F296-F299 HydrophobicContact CE2-CD1 4.33Å; F296-F299 PolarHBondContact O-N 2.8Å; F296-V300 HydrophobicContact CD1-CG2 3.98Å; F296-V300 HydrophobicContact CD2-CG2 4.19Å; F296-V300 HydrophobicContact CE1-CG2 3.53Å; F296-V300 HydrophobicContact CE2-CG2 3.75Å; F296-V300 HydrophobicContact CG-CG2 4.3Å; F296-V300 HydrophobicContact CZ-CG2 3.4Å; F296-V300 VanDerWaalsContact CZ-CG2 3.4Å; F296-V300 WeakPolarHBondContact O-CB 3.37Å; F296-V300 WeakPolarHBondContact O-CG2 3.28Å; F296-V300 PolarHBondContact O-N 2.82Å |
| 297 | L | 92.2 | Very high | 89.3 | Confident | 95 Ų | 95 | 58.2 Ų | 58.2 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.2 | -52.6 | 177.1 | 177.7 | 67.4 | 0 | 0 | 0 | 111.1 | G293 G294 L295 V300 L301 V480 | G293-L297 VanDerWaalsContact O-CB 3.24Å; G293-L297 WeakPolarHBondContact O-CB 3.16Å; G293-L297 PolarHBondContact O-N 3.34Å; G294-L297 WeakPolarHBondContact O-CB 3.49Å; G294-L297 PolarHBondContact O-N 2.97Å; L295-L297 VanDerWaalsContact C-N 3.33Å; L295-L297 PolarHBondContact O-N 3.47Å; L297-V300 PolarHBondContact O-N 3.14Å; L297-L301 VanDerWaalsContact O-CB 3.24Å; L297-L301 WeakPolarHBondContact O-CB 3.37Å; L297-L301 PolarHBondContact O-N 3.38Å; L297-V480 HydrophobicContact CD2-CG1 4.29Å |
| 298 | L | 89.6 | Confident | 89 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 178 | -95 | -173.5 | 0 | 0 | 0 | 111.9 | G294 V300 L301 E302 L393 V484 Y487 V488 | G294-L298 PolarHBondContact O-N 3.03Å; L298-V300 PolarHBondContact O-N 2.95Å; L298-L301 HydrophobicContact CD2-CD2 4.5Å; L298-L301 PolarHBondContact O-N 3.11Å; L298-E302 WeakPolarHBondContact O-CB 3.36Å; L298-E302 PolarHBondContact O-N 3.28Å; L298-L393 HydrophobicContact CD2-CD1 4.33Å; L298-V484 HydrophobicContact CD1-CB 4.04Å; L298-V484 HydrophobicContact CD1-CG1 3.45Å; L298-V484 VanDerWaalsContact CD1-CG1 3.45Å; L298-V484 HydrophobicContact CD1-CG2 4.28Å; L298-V484 HydrophobicContact CG-CB 4.48Å; L298-V484 HydrophobicContact CG-CG1 4.04Å; L298-V484 HydrophobicContact CG-CG2 4.18Å; L298-Y487 HydrophobicContact CB-CD1 3.86Å; L298-Y487 HydrophobicContact CB-CD2 4.32Å; L298-Y487 HydrophobicContact CB-CE1 4.21Å; L298-Y487 HydrophobicContact CB-CG 3.91Å; L298-Y487 HydrophobicContact CD1-CD1 3.73Å; L298-Y487 HydrophobicContact CD1-CG 4.04Å; L298-Y487 HydrophobicContact CG-CD1 4.44Å; L298-V488 HydrophobicContact CD1-CG2 3.79Å |
| 299 | F | 90.4 | Very high | 88.2 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.1 | -49.5 | 175.3 | 173.7 | -100.4 | 0 | 0 | 0 | 112.1 | L295 F296 L301 N303 Y487 | L295-F299 WeakPolarHBondContact O-CB 3.38Å; L295-F299 PolarHBondContact O-N 3.38Å; L295-F299 VanDerWaalsContact O-N 3.08Å; F296-F299 HydrophobicContact CD2-CD1 4.3Å; F296-F299 HydrophobicContact CE2-CD1 4.33Å; F296-F299 PolarHBondContact O-N 2.8Å; F299-L301 VanDerWaalsContact C-N 3.35Å; F299-N303 WeakPolarHBondContact CD2-ND2 3.4Å; F299-N303 WeakPolarHBondContact CE1-ND2 3.34Å; F299-N303 WeakPolarHBondContact CE2-ND2 3.4Å; F299-N303 WeakPolarHBondContact CZ-ND2 3.47Å; F299-N303 WeakPolarHBondContact O-CB 3.48Å; F299-N303 PolarHBondContact O-N 2.83Å; F299-N303 VanDerWaalsContact O-N 3.11Å; F299-N303 PolarHBondContact O-ND2 2.96Å; F299-Y487 HydrophobicContact CB-CE2 3.83Å; F299-Y487 HydrophobicContact CD2-CE2 4.49Å |
| 300 | V | 91.3 | Very high | 87.1 | Confident | 51 Ų | 51 | 67.3 Ų | 67.3 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 178.7 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | F296 L297 L298 N303 M304 | F296-V300 HydrophobicContact CD1-CG2 3.98Å; F296-V300 HydrophobicContact CD2-CG2 4.19Å; F296-V300 HydrophobicContact CE1-CG2 3.53Å; F296-V300 HydrophobicContact CE2-CG2 3.75Å; F296-V300 HydrophobicContact CG-CG2 4.3Å; F296-V300 HydrophobicContact CZ-CG2 3.4Å; F296-V300 VanDerWaalsContact CZ-CG2 3.4Å; F296-V300 WeakPolarHBondContact O-CB 3.37Å; F296-V300 WeakPolarHBondContact O-CG2 3.28Å; F296-V300 PolarHBondContact O-N 2.82Å; L297-V300 PolarHBondContact O-N 3.14Å; L298-V300 PolarHBondContact O-N 2.95Å; V300-N303 PolarHBondContact O-N 3.18Å; V300-M304 HydrophobicContact CG1-CG 3.97Å; V300-M304 VanDerWaalsContact O-CB 3.32Å; V300-M304 WeakPolarHBondContact O-CB 3.48Å; V300-M304 VanDerWaalsContact O-CG 3.22Å; V300-M304 WeakPolarHBondContact O-CG 3.24Å; V300-M304 PolarHBondContact O-N 2.94Å |
| 301 | L | 87.7 | Confident | 85.9 | Confident | 54 Ų | 54 | 76.3 Ų | 76.3 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | -177.9 | -174.1 | 56.3 | 0 | 0 | 0 | 111.7 | L297 L298 F299 N303 M304 L305 L393 | L297-L301 VanDerWaalsContact O-CB 3.24Å; L297-L301 WeakPolarHBondContact O-CB 3.37Å; L297-L301 PolarHBondContact O-N 3.38Å; L298-L301 HydrophobicContact CD2-CD2 4.5Å; L298-L301 PolarHBondContact O-N 3.11Å; F299-L301 VanDerWaalsContact C-N 3.35Å; L301-N303 PolarHBondContact O-N 2.77Å; L301-M304 PolarHBondContact O-N 2.96Å; L301-L305 HydrophobicContact CD1-CD1 3.65Å; L301-L305 HydrophobicContact CG-CD1 4.29Å; L301-L305 VanDerWaalsContact O-CD1 3.29Å; L301-L305 WeakPolarHBondContact O-CD1 3.44Å; L301-L305 PolarHBondContact O-N 3.06Å; L301-L393 HydrophobicContact CD2-CD1 3.29Å; L301-L393 HydrophobicContact CD2-CD2 3.66Å; L301-L393 HydrophobicContact CD2-CG 4.09Å; L301-L393 HydrophobicContact CG-CD1 3.96Å |
| 302 | E | 85.3 | Confident | 84.1 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 30% | 0.304 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 176.1 | -166.8 | -173.7 | 158.4 | 0 | 0 | 111.2 | L298 M304 L305 G306 Y487 | L298-E302 WeakPolarHBondContact O-CB 3.36Å; L298-E302 PolarHBondContact O-N 3.28Å; E302-M304 PolarHBondContact O-N 3.14Å; E302-L305 PolarHBondContact O-N 3.39Å; E302-G306 PolarHBondContact O-N 3.32Å; E302-Y487 WeakPolarHBondContact OE2-CE1 3.49Å; E302-Y487 PolarHBondContact OE2-OH 2.94Å |
| 303 | N | 86.5 | Confident | 82.1 | Confident | 78 Ų | 78 | 79.1 Ų | 79.1 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 177.3 | -80.3 | -63.8 | 0 | 0 | 0 | 113 | F299 V300 L301 G306 L307 | F299-N303 WeakPolarHBondContact CD2-ND2 3.4Å; F299-N303 WeakPolarHBondContact CE1-ND2 3.34Å; F299-N303 WeakPolarHBondContact CE2-ND2 3.4Å; F299-N303 WeakPolarHBondContact CZ-ND2 3.47Å; F299-N303 WeakPolarHBondContact O-CB 3.48Å; F299-N303 PolarHBondContact O-N 2.83Å; F299-N303 VanDerWaalsContact O-N 3.11Å; F299-N303 PolarHBondContact O-ND2 2.96Å; V300-N303 PolarHBondContact O-N 3.18Å; L301-N303 PolarHBondContact O-N 2.77Å; N303-G306 PolarHBondContact O-N 3.44Å; N303-L307 WeakPolarHBondContact O-CB 3.43Å; N303-L307 PolarHBondContact O-N 3.21Å |
| 304 | M | 86.5 | Confident | 79.7 | Confident | 102 Ų | 102 | 88.2 Ų | 88.2 | 50% | 0.502 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 178.3 | -76.4 | -60.4 | 102.2 | 0 | 0 | 111.4 | V300 L301 E302 L307 L308 | V300-M304 HydrophobicContact CG1-CG 3.97Å; V300-M304 VanDerWaalsContact O-CB 3.32Å; V300-M304 WeakPolarHBondContact O-CB 3.48Å; V300-M304 VanDerWaalsContact O-CG 3.22Å; V300-M304 WeakPolarHBondContact O-CG 3.24Å; V300-M304 PolarHBondContact O-N 2.94Å; L301-M304 PolarHBondContact O-N 2.96Å; E302-M304 PolarHBondContact O-N 3.14Å; M304-L307 HydrophobicContact CE-CD2 4.38Å; M304-L307 PolarHBondContact O-N 2.8Å; M304-L308 WeakPolarHBondContact O-CB 3.18Å; M304-L308 PolarHBondContact O-N 3.44Å |
| 305 | L | 82.6 | Confident | 77.3 | Confident | 60 Ų | 60 | 92.8 Ų | 92.8 | 31% | 0.314 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 175.2 | -95.5 | 79.6 | 0 | 0 | 0 | 112.7 | L301 E302 L307 L308 R309 L389 | L301-L305 HydrophobicContact CD1-CD1 3.65Å; L301-L305 HydrophobicContact CG-CD1 4.29Å; L301-L305 VanDerWaalsContact O-CD1 3.29Å; L301-L305 WeakPolarHBondContact O-CD1 3.44Å; L301-L305 PolarHBondContact O-N 3.06Å; E302-L305 PolarHBondContact O-N 3.39Å; L305-L307 VanDerWaalsContact C-N 3.26Å; L305-L307 PolarHBondContact O-N 2.76Å; L305-L308 PolarHBondContact O-N 2.94Å; L305-R309 WeakPolarHBondContact O-CB 3.41Å; L305-R309 PolarHBondContact O-N 3.19Å; L305-L389 HydrophobicContact CD2-CD1 3.41Å; L305-L389 VanDerWaalsContact CD2-CD1 3.41Å; L305-L389 HydrophobicContact CD2-CD2 3.07Å; L305-L389 HydrophobicContact CD2-CG 3.77Å; L305-L389 HydrophobicContact CG-CD2 4.41Å |
| 306 | G | 80.1 | Confident | 75 | Confident | 22 Ų | 22 | 101.7 Ų | 101.7 | 23% | 0.227 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -53.8 | -46.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E302 N303 H310 | E302-G306 PolarHBondContact O-N 3.32Å; N303-G306 PolarHBondContact O-N 3.44Å; G306-H310 PolarHBondContact O-CD2 3.07Å; G306-H310 PolarHBondContact O-N 3.41Å; G306-H310 VanDerWaalsContact O-N 3.12Å |
| 307 | L | 81.1 | Confident | 72.8 | Confident | 80 Ų | 80 | 100.4 Ų | 100.4 | 42% | 0.419 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.8 | -43.5 | 179.6 | -173.4 | 65.2 | 0 | 0 | 0 | 113.3 | N303 M304 L305 R309 H310 R311 | N303-L307 WeakPolarHBondContact O-CB 3.43Å; N303-L307 PolarHBondContact O-N 3.21Å; M304-L307 HydrophobicContact CE-CD2 4.38Å; M304-L307 PolarHBondContact O-N 2.8Å; L305-L307 VanDerWaalsContact C-N 3.26Å; L305-L307 PolarHBondContact O-N 2.76Å; L307-R309 VanDerWaalsContact C-N 3.27Å; L307-R309 PolarHBondContact O-N 3.29Å; L307-H310 PolarHBondContact O-N 2.9Å; L307-R311 PolarHBondContact O-N 3.42Å |
| 308 | L | 79.4 | Confident | 70.6 | Confident | 125 Ų | 125 | 102 Ų | 102 | 65% | 0.654 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -38.6 | 179.3 | -174.9 | 60.4 | 0 | 0 | 0 | 110.9 | M304 L305 R311 G312 | M304-L308 WeakPolarHBondContact O-CB 3.18Å; M304-L308 PolarHBondContact O-N 3.44Å; L305-L308 PolarHBondContact O-N 2.94Å; L308-R311 PolarHBondContact O-N 2.84Å; L308-G312 PolarHBondContact O-N 3.04Å |
| 309 | R | 69.9 | Low | 68.4 | Low | 68 Ų | 68 | 112.5 Ų | 112.5 | 26% | 0.257 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.5 | -42.9 | 175 | -173.1 | 175.4 | 65.3 | -164.5 | 1.1 | 112.4 | L305 L307 R311 G312 L313 D382 | L305-R309 WeakPolarHBondContact O-CB 3.41Å; L305-R309 PolarHBondContact O-N 3.19Å; L307-R309 VanDerWaalsContact C-N 3.27Å; L307-R309 PolarHBondContact O-N 3.29Å; R309-R311 PolarHBondContact O-N 3.45Å; R309-G312 PolarHBondContact O-N 2.89Å; R309-G312 VanDerWaalsContact O-N 3.15Å; R309-L313 HydrophobicContact CG-CD1 4.11Å; R309-L313 PolarHBondContact O-N 3.43Å; R309-D382 IonicContact CZ-OD1 3.93Å; R309-D382 IonicContact CZ-OD2 3.84Å; R309-D382 IonicContact NE-OD1 3.75Å; R309-D382 IonicContact NE-OD2 3.7Å; R309-D382 VanDerWaalsContact NH1-C 3.35Å; R309-D382 VanDerWaalsContact NH1-CA 3.32Å; R309-D382 PolarHBondContact NH1-O 2.84Å; R309-D382 IonicContact NH1-OD1 3.57Å; R309-D382 IonicContact NH2-OD2 2.82Å |
| 310 | H | 66.8 | Low | 66 | Low | 140 Ų | 140 | 118.3 Ų | 118.3 | 65% | 0.648 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.1 | -27.5 | 174.8 | -81.9 | -59.6 | 0 | 0 | 0 | 113.1 | G306 L307 | G306-H310 PolarHBondContact O-CD2 3.07Å; G306-H310 PolarHBondContact O-N 3.41Å; G306-H310 VanDerWaalsContact O-N 3.12Å; L307-H310 PolarHBondContact O-N 2.9Å |
| 311 | R | 67.3 | Low | 63.5 | Low | 193 Ų | 193 | 125.7 Ų | 125.7 | 73% | 0.728 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -81.5 | -34.1 | 172.7 | -75.2 | -177.9 | 168.4 | 168.8 | -1.5 | 113.4 | L307 L308 R309 | L307-R311 PolarHBondContact O-N 3.42Å; L308-R311 PolarHBondContact O-N 2.84Å; R309-R311 PolarHBondContact O-N 3.45Å |
| 312 | G | 57.5 | Low | 61.2 | Low | 67 Ų | 67 | 134.6 Ų | 134.6 | 69% | 0.691 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75.6 | -19.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L308 R309 | L308-G312 PolarHBondContact O-N 3.04Å; R309-G312 PolarHBondContact O-N 2.89Å; R309-G312 VanDerWaalsContact O-N 3.15Å |
| 313 | L | 52.7 | Low | 59.2 | Low | 122 Ų | 122 | 142.1 Ų | 142.1 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | 46.9 | -178.1 | -79.2 | 151.9 | 0 | 0 | 0 | 112.8 | R309 P315 | R309-L313 HydrophobicContact CG-CD1 4.11Å; R309-L313 PolarHBondContact O-N 3.43Å; L313-P315 VanDerWaalsContact C-CD 3.48Å; L313-P315 WeakPolarHBondContact O-CD 3.44Å |
| 314 | R | 43.7 | Very low | 57 | Low | 225 Ų | 225 | 145.6 Ų | 145.6 | 85% | 0.849 | 68% | 0.678 | S | S | * | * | trans | -81.6 | 98.3 | 148.9 | -94.1 | -166.3 | -179.4 | -153.3 | 1.3 | 107.8 | R316 | R314-R316 PolarHBondContact O-N 3.22Š| ||
| 315 | P | 44.8 | Very low | 55 | Low | 95 Ų | 95 | 149.2 Ų | 149.2 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | trans | -56 | 132.4 | 164.2 | 23 | -30.4 | 0 | 0 | 0 | 107.8 | L313 C317 | L313-P315 VanDerWaalsContact C-CD 3.48Å; L313-P315 WeakPolarHBondContact O-CD 3.44Å; P315-C317 HydrophobicContact CB-CB 4.28Å; P315-C317 PolarHBondContact O-N 3.37Å | ||
| 316 | R | 45.8 | Very low | 53 | Low | 244 Ų | 244 | 154.7 Ų | 154.7 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -58.6 | 20.5 | 169.6 | -99.5 | 179.4 | 172.8 | -169.6 | -0.3 | 113.6 | R314 C318 | R314-R316 PolarHBondContact O-N 3.22Å; R316-C318 PolarHBondContact O-N 2.92Å |
| 317 | C | 47.8 | Very low | 51.1 | Low | 104 Ų | 104 | 160.2 Ų | 160.2 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -81 | -7.7 | -170.2 | -75.6 | 0 | 0 | 0 | 0 | 115.1 | P315 | P315-C317 HydrophobicContact CB-CB 4.28Å; P315-C317 PolarHBondContact O-N 3.37Å |
| 318 | C | 45 | Very low | 48.9 | Very low | 127 Ų | 127 | 167.1 Ų | 167.1 | 86% | 0.858 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -97.6 | 2.2 | 179.2 | -61.6 | 0 | 0 | 0 | 0 | 115.1 | R316 | R316-C318 PolarHBondContact O-N 2.92Š|
| 319 | R | 43.5 | Very low | 46.5 | Very low | 240 Ų | 240 | 169 Ų | 169 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -93.5 | -6 | -179.8 | -126.3 | -174.1 | -171.6 | -166.9 | 3.7 | 115.5 | ||
| 320 | R | 40.4 | Very low | 44.9 | Very low | 222 Ų | 222 | 173.7 Ų | 173.7 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -109.7 | -7.4 | -175.6 | -151.2 | 172.5 | -179.5 | 178.3 | 0 | 115.7 | ||
| 321 | K | 38.3 | Very low | 43.2 | Very low | 206 Ų | 206 | 174.6 Ų | 174.6 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -99.7 | 29.9 | 179.7 | -144.3 | 178 | -175.6 | -178.8 | 0 | 114.2 | ||
| 322 | R | 40.7 | Very low | 42.1 | Very low | 242 Ų | 242 | 170.5 Ų | 170.5 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -128.6 | 38.5 | 171.6 | -159.4 | -173.7 | -177 | -116.1 | 1.1 | 111.5 | ||
| 323 | R | 42.7 | Very low | 40.8 | Very low | 223 Ų | 223 | 176.3 Ų | 176.3 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -139.9 | -4.2 | 171.7 | -133.2 | 178.6 | -172.4 | 174.3 | 1.5 | 116.1 | ||
| 324 | D | 40.6 | Very low | 39.7 | Very low | 151 Ų | 151 | 178.3 Ų | 178.3 | 81% | 0.807 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -116.1 | 19.3 | -179.3 | -61 | -28 | 0 | 0 | 0 | 113.6 | ||
| 325 | L | 43.8 | Very low | 38.9 | Very low | 177 Ų | 177 | 170.6 Ų | 170.6 | 93% | 0.927 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -124.4 | 43.5 | 170.4 | -154.5 | 79.6 | 0 | 0 | 0 | 111 | ||
| 326 | E | 42.2 | Very low | 38.2 | Very low | 176 Ų | 176 | 172.5 Ų | 172.5 | 82% | 0.822 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -149.4 | 53.3 | 174.6 | -151 | 173.9 | 160.3 | 0 | 0 | 110.5 | ||
| 327 | T | 39.3 | Very low | 37.3 | Very low | 137 Ų | 137 | 163.9 Ų | 163.9 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -171.2 | 136.6 | 146.1 | 2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 328 | R | 34.3 | Very low | 36.5 | Very low | 226 Ų | 226 | 167.9 Ų | 167.9 | 85% | 0.853 | 84% | 0.844 | S | S | * | * | trans | 78 | 91.5 | 166.1 | -66.4 | 179.9 | 154.5 | 151.3 | -4.4 | 117 | ||||
| 329 | N | 30.4 | Very low | 35.6 | Very low | 163 Ų | 163 | 166 Ų | 166 | 87% | 0.872 | 84% | 0.838 | S | S | * | * | -156.6 | 111.6 | 97.9 | -84.5 | -41.1 | 0 | 0 | 0 | 109.2 | |||||
| 330 | L | 36.1 | Very low | 34.8 | Very low | 167 Ų | 167 | 162.6 Ų | 162.6 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -92.5 | 120.8 | 155.6 | -79.4 | 161.7 | 0 | 0 | 0 | 104.9 | ||||
| 331 | D | 31.2 | Very low | 34.2 | Very low | 159 Ų | 159 | 160.4 Ų | 160.4 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | trans | -148.9 | 146.8 | 143.3 | -87.8 | -38.8 | 0 | 0 | 0 | 108.5 | ||||
| 332 | P | 42.6 | Very low | 34 | Very low | 107 Ų | 107 | 155.7 Ų | 155.7 | 70% | 0.695 | 83% | 0.827 | S | S | * | * | trans | -102.7 | 158.2 | -155.7 | 31.6 | -17.9 | 0 | 0 | 0 | 113.8 | ||||
| 333 | E | 31.8 | Very low | 33.2 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | 42.7 | 122.6 | 153.8 | -60.3 | -157.1 | 108.8 | 0 | 0 | 119.6 | ||||
| 334 | N | 28.6 | Very low | 32.4 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | -178.7 | 137.9 | 99.3 | -148.1 | -6 | 0 | 0 | 0 | 111.4 | |||||
| 335 | G | 27.3 | Very low | 31.6 | Very low | 63 Ų | 63 | 145.5 Ų | 145.5 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | trans | 97.2 | 99 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 336 | S | 29.5 | Very low | 30.9 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 94% | 0.944 | 81% | 0.806 | S | S | * | * | trans | 71.3 | 124.2 | 139.1 | -158.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 337 | G | 27.2 | Very low | 30.6 | Very low | 64 Ų | 64 | 139.1 Ų | 139.1 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | cis | 159.9 | 146.2 | 12.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 338 | M | 31 | Very low | 30 | Very low | 188 Ų | 188 | 141 Ų | 141 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | 56.2 | 108.1 | 167.4 | -63.1 | -162 | -169.6 | 0 | 0 | 117.7 | ||||
| 339 | A | 27.1 | Very low | 29.5 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | 67 | 120.3 | 54.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 340 | L | 26 | Very low | 29.3 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | 95.5 | 115.2 | 147.9 | -62.2 | 167.6 | 0 | 0 | 0 | 120.2 | ||||
| 341 | Q | 28.2 | Very low | 28.8 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -50.8 | -175.8 | 144.7 | -68 | 156.8 | -39.8 | 0 | 0 | 111.5 | ||||
| 342 | P | 33.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -139.4 | -171.3 | -12.3 | 17.4 | 11.4 | 0 | 0 | 0 | 113.6 | ||||
| 343 | L | 23.9 | Very low | 27.7 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | trans | 79.8 | 122.2 | 143.8 | -81.2 | 153.6 | 0 | 0 | 0 | 122.2 | ||||
| 344 | Q | 25.8 | Very low | 27.5 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | 82.8 | 139.6 | 129.3 | -94.1 | 162.9 | -4.2 | 0 | 0 | 123.4 | |||||
| 345 | A | 24.7 | Very low | 27.3 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | 97.9 | 114.5 | 143.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 346 | A | 28.4 | Very low | 27.3 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -65.4 | 165.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 347 | P | 36.3 | Very low | 27.1 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | -151.1 | -174.4 | 65.9 | 36 | -11.7 | 0 | 0 | 0 | 116.6 | |||||
| 348 | E | 25.9 | Very low | 27 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -52.8 | 162 | -171.4 | -45 | -167 | 125 | 0 | 0 | 119.5 | ||||
| 349 | L | 24.8 | Very low | 26.8 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | 169.1 | 141.7 | 108.5 | -143.9 | 77.7 | 0 | 0 | 0 | 112.2 | |||||
| 350 | G | 25.1 | Very low | 26.8 | Very low | 69 Ų | 69 | 144.8 Ų | 144.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 116.2 | 89.9 | 138.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 351 | A | 25.5 | Very low | 26.9 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | 56.9 | 135.7 | 125.3 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 352 | Q | 25.9 | Very low | 27.3 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | 83.8 | 117.2 | 144 | -93.9 | 180 | -38.6 | 0 | 0 | 121.4 | ||||
| 353 | G | 24.9 | Very low | 27.1 | Very low | 70 Ų | 70 | 143.6 Ų | 143.6 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | 121.5 | 114 | 123.3 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 354 | Q | 28.1 | Very low | 27.3 | Very low | 208 Ų | 208 | 141.6 Ų | 141.6 | 97% | 0.972 | 80% | 0.804 | S | S | * | * | trans | 85.4 | 143 | 144.3 | -66.5 | -179.4 | -23.4 | 0 | 0 | 121.6 | ||||
| 355 | R | 25.2 | Very low | 27.9 | Very low | 221 Ų | 221 | 139.4 Ų | 139.4 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -81 | 147.4 | -167.8 | -101.1 | 174.8 | 163.2 | 156.8 | -3.2 | 113.6 | ||||
| 356 | E | 25.8 | Very low | 28.1 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 71% | 0.71 | 80% | 0.804 | S | S | * | * | trans | 61.1 | 104.1 | 137.7 | -66.9 | 177.8 | 117.2 | 0 | 0 | 120.2 | ||||
| 357 | Q | 26.2 | Very low | 28.4 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | 167.7 | 133.4 | 102 | -93.5 | 178 | 20 | 0 | 0 | 113.1 | |||||
| 358 | N | 23.8 | Very low | 28.3 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | 68.5 | 115.8 | 145.4 | -152.1 | 28.4 | 0 | 0 | 0 | 120.6 | ||||
| 359 | S | 28.1 | Very low | 28.4 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | 145.1 | 109.7 | 137.3 | -62.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 360 | Q | 27.4 | Very low | 28.7 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | 50.1 | 106.5 | 132.5 | -67.9 | 162.4 | 4.3 | 0 | 0 | 121.8 | ||||
| 361 | H | 28.4 | Very low | 29 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | trans | 56.1 | 152.5 | 154.4 | -94.7 | -44.1 | 0 | 0 | 0 | 120.8 | ||||
| 362 | P | 34.8 | Very low | 29 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | cis | -127.5 | -171.4 | -12 | 40 | -22.3 | 0 | 0 | 0 | 112.5 | ||||
| 363 | P | 30.6 | Very low | 29.4 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -129.1 | 138.5 | 147.9 | 35.4 | -23.1 | 0 | 0 | 0 | 113.7 | ||||
| 364 | A | 28.3 | Very low | 29.5 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -107 | 179.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 365 | P | 37.2 | Very low | 30 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | -114.2 | 161.1 | -62.7 | 34.3 | -21.2 | 0 | 0 | 0 | 111.3 | |||||
| 366 | A | 30.4 | Very low | 30.1 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -106.3 | 161.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 367 | P | 34.6 | Very low | 30.6 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -72.4 | 166.1 | -155.5 | 31.2 | -34.2 | 0 | 0 | 0 | 114.1 | G369 | P367-G369 PolarHBondContact O-N 3.45Š| ||
| 368 | P | 34 | Very low | 30.9 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -66.5 | 104.2 | -170.1 | 26.3 | -33.2 | 0 | 0 | 0 | 111.3 | ||||
| 369 | G | 26.3 | Very low | 31.9 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -62.7 | 136.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P367 Q371 | P367-G369 PolarHBondContact O-N 3.45Å; G369-Q371 PolarHBondContact O-N 3.29Å | ||
| 370 | H | 32 | Very low | 33.1 | Very low | 197 Ų | 197 | 126.6 Ų | 126.6 | 91% | 0.912 | 76% | 0.762 | S | S | * | * | trans | -46.4 | 125.9 | 170.5 | -81.9 | -84 | 0 | 0 | 0 | 110.6 | G372 | H370-G372 PolarHBondContact O-N 2.77Š| ||
| 371 | Q | 30.4 | Very low | 34.7 | Very low | 171 Ų | 171 | 122.2 Ų | 122.2 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | -58.8 | 96.4 | 177.9 | -70.1 | 173.5 | -1.5 | 0 | 0 | 110.2 | G369 H373 | G369-Q371 PolarHBondContact O-N 3.29Å; Q371-H373 PolarHBondContact O-N 2.84Å | ||
| 372 | G | 26.9 | Very low | 36.6 | Very low | 67 Ų | 67 | 115.5 Ų | 115.5 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | trans | -67.2 | 112.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | H370 S374 | H370-G372 PolarHBondContact O-N 2.77Å; G372-S374 PolarHBondContact O-N 3.28Å | ||
| 373 | H | 34.7 | Very low | 38.3 | Very low | 156 Ų | 156 | 114.8 Ų | 114.8 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | -59.1 | 102.3 | 178.1 | -62.8 | -67.4 | 0 | 0 | 0 | 110.3 | Q371 H375 | Q371-H373 PolarHBondContact O-N 2.84Å; H373-H375 PolarHBondContact O-N 3.09Å | ||
| 374 | S | 26.8 | Very low | 40.6 | Very low | 120 Ų | 120 | 109.7 Ų | 109.7 | 84% | 0.839 | 67% | 0.674 | S | S | * | * | trans | -71.9 | 115.5 | 166 | -73.8 | 0 | 0 | 0 | 0 | 109.3 | G372 G376 | G372-S374 PolarHBondContact O-N 3.28Å; S374-G376 PolarHBondContact O-N 3.15Å | ||
| 375 | H | 37.8 | Very low | 43 | Very low | 185 Ų | 185 | 113 Ų | 113 | 86% | 0.856 | 67% | 0.667 | S | S | * | * | trans | -71.7 | 93.6 | 174.1 | -71.4 | -78.8 | 0 | 0 | 0 | 110.5 | H373 H377 | H373-H375 PolarHBondContact O-N 3.09Å; H375-H377 PolarHBondContact O-N 3.43Å | ||
| 376 | G | 27.1 | Very low | 44.9 | Very low | 64 Ų | 64 | 110.8 Ų | 110.8 | 66% | 0.66 | 65% | 0.647 | S | S | * | * | trans | -70.1 | 110.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S374 Q378 | S374-G376 PolarHBondContact O-N 3.15Å; G376-Q378 VanDerWaalsContact C-N 3.28Å; G376-Q378 PolarHBondContact O-N 2.98Å | ||
| 377 | H | 36.9 | Very low | 47.2 | Very low | 202 Ų | 202 | 107.9 Ų | 107.9 | 94% | 0.935 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 39.3 | 13 | 143.9 | -95.4 | -65.9 | 0 | 0 | 0 | 123.4 | H375 | H375-H377 PolarHBondContact O-N 3.43Š|
| 378 | Q | 32.6 | Very low | 49.5 | Very low | 182 Ų | 182 | 103.7 Ų | 103.7 | 85% | 0.85 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -117.8 | 4.6 | 170.5 | -69.1 | -167.7 | 24.4 | 0 | 0 | 114.7 | G376 | G376-Q378 VanDerWaalsContact C-N 3.28Å; G376-Q378 PolarHBondContact O-N 2.98Å |
| 379 | G | 43.6 | Very low | 51.9 | Low | 35 Ų | 35 | 101 Ų | 101 | 36% | 0.361 | 57% | 0.568 | S | S | . | * | trans | -98.3 | 4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | D382 I383 | G379-D382 PolarHBondContact O-N 3.14Å; G379-I383 PolarHBondContact O-N 3.42Å | ||
| 380 | G | 54.1 | Low | 54.7 | Low | 46 Ų | 46 | 99.1 Ų | 99.1 | 47% | 0.474 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D382 T384 | G380-D382 VanDerWaalsContact C-N 3.31Å; G380-D382 PolarHBondContact O-N 3.45Å; G380-T384 PolarHBondContact O-N 3.08Å; G380-T384 PolarHBondContact O-OG1 3.42Å |
| 381 | T | 61.6 | Low | 57.3 | Low | 92 Ų | 92 | 90.2 Ų | 90.2 | 56% | 0.564 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.4 | -31.5 | -178.9 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | W385 | T381-W385 PolarHBondContact O-N 3.05Å; T381-W385 VanDerWaalsContact O-N 3.14Å |
| 382 | D | 67.7 | Low | 60.1 | Low | 49 Ų | 49 | 82.3 Ų | 82.3 | 26% | 0.262 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.5 | -38.2 | -176.2 | -80.5 | 3.7 | 0 | 0 | 0 | 111.9 | R309 G379 G380 M386 | R309-D382 IonicContact CZ-OD1 3.93Å; R309-D382 IonicContact CZ-OD2 3.84Å; R309-D382 IonicContact NE-OD1 3.75Å; R309-D382 IonicContact NE-OD2 3.7Å; R309-D382 VanDerWaalsContact NH1-C 3.35Å; R309-D382 VanDerWaalsContact NH1-CA 3.32Å; R309-D382 PolarHBondContact NH1-O 2.84Å; R309-D382 IonicContact NH1-OD1 3.57Å; R309-D382 IonicContact NH2-OD2 2.82Å; G379-D382 PolarHBondContact O-N 3.14Å; G380-D382 VanDerWaalsContact C-N 3.31Å; G380-D382 PolarHBondContact O-N 3.45Å; D382-M386 PolarHBondContact O-N 3.29Å |
| 383 | I | 71.3 | Confident | 63.1 | Low | 92 Ų | 92 | 81 Ų | 81 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.9 | -42.4 | 175.4 | -61.5 | 164.9 | 0 | 0 | 0 | 109.7 | G379 W385 M386 V387 | G379-I383 PolarHBondContact O-N 3.42Å; I383-W385 PolarHBondContact O-N 3.08Å; I383-M386 PolarHBondContact O-N 3.38Å; I383-V387 HydrophobicContact CG2-CG2 4.36Å; I383-V387 WeakPolarHBondContact O-CG2 3.24Å; I383-V387 PolarHBondContact O-N 3.35Å |
| 384 | T | 77.5 | Confident | 65.7 | Low | 22 Ų | 22 | 74.1 Ų | 74.1 | 14% | 0.135 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -55.9 | -44.4 | 176.9 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | G380 L388 L435 S438 L440 | G380-T384 PolarHBondContact O-N 3.08Å; G380-T384 PolarHBondContact O-OG1 3.42Å; T384-L388 WeakPolarHBondContact O-CB 3.17Å; T384-L388 PolarHBondContact O-N 3.14Å; T384-L388 VanDerWaalsContact O-N 3.13Å; T384-L435 HydrophobicContact CG2-CD2 3.66Å; T384-S438 VanDerWaalsContact OG1-CB 3.29Å; T384-S438 WeakPolarHBondContact OG1-CB 3.3Å; T384-S438 PolarHBondContact OG1-OG 3.38Å; T384-L440 HydrophobicContact CG2-CD1 3.39Å; T384-L440 HydrophobicContact CG2-CG 4.31Å |
| 385 | W | 79.4 | Confident | 68.9 | Low | 161 Ų | 161 | 69.1 Ų | 69.1 | 61% | 0.61 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70.8 | -32.3 | 178.4 | -80.2 | 116.4 | 0 | 0 | 0 | 113.5 | T381 I383 L388 L389 | T381-W385 PolarHBondContact O-N 3.05Å; T381-W385 VanDerWaalsContact O-N 3.14Å; I383-W385 PolarHBondContact O-N 3.08Å; W385-L388 HydrophobicContact CE3-CD2 3.79Å; W385-L388 HydrophobicContact CZ3-CD2 3.64Å; W385-L389 WeakPolarHBondContact O-CB 3.45Å; W385-L389 PolarHBondContact O-N 2.87Å; W385-L389 VanDerWaalsContact O-N 3.12Å |
| 386 | M | 76.6 | Confident | 71.6 | Confident | 81 Ų | 81 | 63 Ų | 63 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.6 | -46.8 | 177.9 | -171 | 172.5 | 83.1 | 0 | 0 | 110.7 | D382 I383 L388 L389 G390 | D382-M386 PolarHBondContact O-N 3.29Å; I383-M386 PolarHBondContact O-N 3.38Å; M386-L388 PolarHBondContact O-N 3.04Å; M386-L389 PolarHBondContact O-N 3.25Å; M386-G390 PolarHBondContact O-N 3.34Å |
| 387 | V | 79.8 | Confident | 74.8 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.6 | -49.8 | 174.7 | 173 | 0 | 0 | 0 | 0 | 110.4 | I383 L389 G390 D391 D431 L435 | I383-V387 HydrophobicContact CG2-CG2 4.36Å; I383-V387 WeakPolarHBondContact O-CG2 3.24Å; I383-V387 PolarHBondContact O-N 3.35Å; V387-L389 VanDerWaalsContact C-N 3.3Å; V387-L389 PolarHBondContact O-N 3.36Å; V387-G390 PolarHBondContact O-N 2.86Å; V387-D391 WeakPolarHBondContact O-CB 3.27Å; V387-D391 PolarHBondContact O-N 3.03Å; V387-D431 HydrophobicContact CG1-CB 4.14Å; V387-L435 HydrophobicContact CB-CD2 4.36Å; V387-L435 HydrophobicContact CG1-CD1 4.33Å; V387-L435 HydrophobicContact CG1-CD2 4.22Å; V387-L435 HydrophobicContact CG1-CG 4.26Å |
| 388 | L | 82.6 | Confident | 77.6 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -35.5 | -178.5 | 176.5 | 63.6 | 0 | 0 | 0 | 113.9 | T384 W385 M386 G392 L448 | T384-L388 WeakPolarHBondContact O-CB 3.17Å; T384-L388 PolarHBondContact O-N 3.14Å; T384-L388 VanDerWaalsContact O-N 3.13Å; W385-L388 HydrophobicContact CE3-CD2 3.79Å; W385-L388 HydrophobicContact CZ3-CD2 3.64Å; M386-L388 PolarHBondContact O-N 3.04Å; L388-G392 PolarHBondContact O-N 3.32Å; L388-G392 VanDerWaalsContact O-N 3.13Å; L388-L448 HydrophobicContact CD1-CB 3.68Å; L388-L448 HydrophobicContact CD1-CD1 3.99Å; L388-L448 HydrophobicContact CD1-CD2 4.01Å; L388-L448 HydrophobicContact CD1-CG 4.08Å; L388-L448 HydrophobicContact CD2-CD1 3.79Å; L388-L448 HydrophobicContact CD2-CD2 3.58Å; L388-L448 HydrophobicContact CD2-CG 4.18Å; L388-L448 HydrophobicContact CG-CD2 4.39Å |
| 389 | L | 84.1 | Confident | 80.6 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 38% | 0.382 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -83.9 | -33.3 | -179.7 | 178.9 | 132 | 0 | 0 | 0 | 112.1 | L305 W385 M386 V387 D391 G392 L393 | L305-L389 HydrophobicContact CD2-CD1 3.41Å; L305-L389 VanDerWaalsContact CD2-CD1 3.41Å; L305-L389 HydrophobicContact CD2-CD2 3.07Å; L305-L389 HydrophobicContact CD2-CG 3.77Å; L305-L389 HydrophobicContact CG-CD2 4.41Å; W385-L389 WeakPolarHBondContact O-CB 3.45Å; W385-L389 PolarHBondContact O-N 2.87Å; W385-L389 VanDerWaalsContact O-N 3.12Å; M386-L389 PolarHBondContact O-N 3.25Å; V387-L389 VanDerWaalsContact C-N 3.3Å; V387-L389 PolarHBondContact O-N 3.36Å; L389-D391 PolarHBondContact O-N 3.31Å; L389-G392 PolarHBondContact O-N 3.21Å; L389-L393 HydrophobicContact CD2-CD1 3.56Å; L389-L393 HydrophobicContact CD2-CG 4.38Å; L389-L393 HydrophobicContact CG-CD1 4.26Å; L389-L393 VanDerWaalsContact O-CG 3.3Å; L389-L393 WeakPolarHBondContact O-CG 3.29Å; L389-L393 PolarHBondContact O-N 2.78Å |
| 390 | G | 84.8 | Confident | 83.1 | Confident | 27 Ų | 27 | 42.3 Ų | 42.3 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -53.8 | -47.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | M386 V387 G392 L393 H394 | M386-G390 PolarHBondContact O-N 3.34Å; V387-G390 PolarHBondContact O-N 2.86Å; G390-G392 PolarHBondContact O-N 3.03Å; G390-L393 PolarHBondContact O-N 2.99Å; G390-L393 VanDerWaalsContact O-N 3.08Å; G390-H394 PolarHBondContact O-N 3.26Å |
| 391 | D | 86.8 | Confident | 85.1 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.5 | -48.7 | 177.2 | -178.6 | 80 | 0 | 0 | 0 | 113.1 | V387 L389 L393 H394 N395 S452 | V387-D391 WeakPolarHBondContact O-CB 3.27Å; V387-D391 PolarHBondContact O-N 3.03Å; L389-D391 PolarHBondContact O-N 3.31Å; D391-L393 VanDerWaalsContact C-N 3.29Å; D391-L393 PolarHBondContact O-N 2.93Å; D391-H394 VanDerWaalsContact CA-CE1 3.42Å; D391-H394 WeakPolarHBondContact CA-CE1 3.43Å; D391-H394 VanDerWaalsContact CA-ND1 3.3Å; D391-H394 WeakPolarHBondContact CA-ND1 3.49Å; D391-H394 PolarHBondContact O-CD2 3.44Å; D391-H394 VanDerWaalsContact O-CD2 3.29Å; D391-H394 PolarHBondContact O-CE1 3.22Å; D391-H394 VanDerWaalsContact O-CG 3.22Å; D391-H394 PolarHBondContact O-N 2.96Å; D391-H394 PolarHBondContact O-ND1 2.98Å; D391-H394 PolarHBondContact O-NE2 2.95Å; D391-H394 IonicContact OD1-CE1 3.97Å; D391-H394 PolarHBondContact OD1-CE1 3.4Å; D391-H394 IonicContact OD1-ND1 3.19Å; D391-H394 IonicContact OD1-NE2 3.51Å; D391-H394 PolarHBondContact OD1-NE2 3.23Å; D391-N395 WeakPolarHBondContact O-CB 3.41Å; D391-N395 PolarHBondContact O-N 2.89Å; D391-N395 VanDerWaalsContact O-N 3.09Å; D391-S452 PolarHBondContact O-OG 2.83Å; D391-S452 WeakPolarHBondContact OD2-CB 3.32Å; D391-S452 PolarHBondContact OD2-OG 3.12Å |
| 392 | G | 89.9 | Confident | 86.7 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -32.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | L388 L389 G390 L396 S452 | L388-G392 PolarHBondContact O-N 3.32Å; L388-G392 VanDerWaalsContact O-N 3.13Å; L389-G392 PolarHBondContact O-N 3.21Å; G390-G392 PolarHBondContact O-N 3.03Å; G392-L396 WeakPolarHBondContact O-CB 3.44Å; G392-L396 PolarHBondContact O-N 3.02Å; G392-S452 VanDerWaalsContact CA-OG 3.29Å; G392-S452 WeakPolarHBondContact CA-OG 3.42Å; G392-S452 PolarHBondContact N-OG 3.28Å |
| 393 | L | 89.6 | Confident | 88 | Confident | 40 Ų | 40 | 33.4 Ų | 33.4 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -78.8 | -38.2 | 179.6 | -72.1 | 166.3 | 0 | 0 | 0 | 112.4 | L298 L301 L389 G390 D391 N395 L396 T397 | L298-L393 HydrophobicContact CD2-CD1 4.33Å; L301-L393 HydrophobicContact CD2-CD1 3.29Å; L301-L393 HydrophobicContact CD2-CD2 3.66Å; L301-L393 HydrophobicContact CD2-CG 4.09Å; L301-L393 HydrophobicContact CG-CD1 3.96Å; L389-L393 HydrophobicContact CD2-CD1 3.56Å; L389-L393 HydrophobicContact CD2-CG 4.38Å; L389-L393 HydrophobicContact CG-CD1 4.26Å; L389-L393 VanDerWaalsContact O-CG 3.3Å; L389-L393 WeakPolarHBondContact O-CG 3.29Å; L389-L393 PolarHBondContact O-N 2.78Å; G390-L393 PolarHBondContact O-N 2.99Å; G390-L393 VanDerWaalsContact O-N 3.08Å; D391-L393 VanDerWaalsContact C-N 3.29Å; D391-L393 PolarHBondContact O-N 2.93Å; L393-N395 VanDerWaalsContact C-N 3.3Å; L393-L396 HydrophobicContact CD2-CD2 4.48Å; L393-L396 WeakPolarHBondContact O-CB 3.49Å; L393-L396 PolarHBondContact O-N 3.19Å; L393-T397 WeakPolarHBondContact O-CG2 3.46Å; L393-T397 PolarHBondContact O-N 3.03Å; L393-T397 PolarHBondContact O-OG1 3.17Å |
| 394 | H | 90.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 29 Ų | 29 | 5% | 0.051 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 173.4 | 76.9 | -135.3 | 0 | 0 | 0 | 109.8 | G390 D391 L396 T397 D398 E424 H427 | G390-H394 PolarHBondContact O-N 3.26Å; D391-H394 VanDerWaalsContact CA-CE1 3.42Å; D391-H394 WeakPolarHBondContact CA-CE1 3.43Å; D391-H394 VanDerWaalsContact CA-ND1 3.3Å; D391-H394 WeakPolarHBondContact CA-ND1 3.49Å; D391-H394 PolarHBondContact O-CD2 3.44Å; D391-H394 VanDerWaalsContact O-CD2 3.29Å; D391-H394 PolarHBondContact O-CE1 3.22Å; D391-H394 VanDerWaalsContact O-CG 3.22Å; D391-H394 PolarHBondContact O-N 2.96Å; D391-H394 PolarHBondContact O-ND1 2.98Å; D391-H394 PolarHBondContact O-NE2 2.95Å; D391-H394 IonicContact OD1-CE1 3.97Å; D391-H394 PolarHBondContact OD1-CE1 3.4Å; D391-H394 IonicContact OD1-ND1 3.19Å; D391-H394 IonicContact OD1-NE2 3.51Å; D391-H394 PolarHBondContact OD1-NE2 3.23Å; H394-L396 VanDerWaalsContact C-N 3.27Å; H394-L396 PolarHBondContact O-N 2.77Å; H394-T397 WeakPolarHBondContact CA-OG1 3.46Å; H394-T397 CarbonylContact O-C 3.58Å; H394-T397 WeakPolarHBondContact O-CA 3.47Å; H394-T397 PolarHBondContact O-N 3.46Å; H394-T397 PolarHBondContact O-OG1 3Å; H394-D398 IonicContact CD2-OD2 3.19Å; H394-D398 PolarHBondContact O-N 3.46Å; H394-E424 IonicContact NE2-OE1 2.88Å; H394-E424 IonicContact NE2-OE2 3.19Å; H394-H427 AromaticContact CE1-CE1 3.22Å; H394-H427 PolarHBondContact CE1-CE1 3.46Å; H394-H427 AromaticContact CE1-ND1 3.35Å; H394-H427 PolarHBondContact CE1-ND1 3.19Å; H394-H427 VanDerWaalsContact CE1-ND1 3.35Å; H394-H427 AromaticContact ND1-CE1 3.34Å; H394-H427 PolarHBondContact ND1-CE1 2.83Å; H394-H427 VanDerWaalsContact ND1-CE1 3.34Å; H394-H427 AromaticContact ND1-ND1 3.88Å |
| 395 | N | 93.1 | Very high | 89.5 | Confident | 15 Ų | 15 | 28 Ų | 28 | 8% | 0.08 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.7 | -36.3 | -176.3 | -91.6 | -32 | 0 | 0 | 0 | 110.6 | D391 L393 D398 G399 E424 S452 G456 | D391-N395 WeakPolarHBondContact O-CB 3.41Å; D391-N395 PolarHBondContact O-N 2.89Å; D391-N395 VanDerWaalsContact O-N 3.09Å; L393-N395 VanDerWaalsContact C-N 3.3Å; N395-D398 PolarHBondContact O-N 3.19Å; N395-G399 PolarHBondContact O-N 2.76Å; N395-E424 PolarHBondContact OD1-OE1 3.38Å; N395-S452 WeakPolarHBondContact ND2-CB 3.36Å; N395-S452 PolarHBondContact ND2-OG 3.1Å; N395-G456 WeakPolarHBondContact O-CA 3.39Å |
| 396 | L | 94.8 | Very high | 90.1 | Very high | 57 Ų | 57 | 21.1 Ų | 21.1 | 30% | 0.298 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -58.7 | -46 | 170 | 178.4 | 70.5 | 0 | 0 | 0 | 111.6 | G392 L393 H394 L400 L455 G459 | G392-L396 WeakPolarHBondContact O-CB 3.44Å; G392-L396 PolarHBondContact O-N 3.02Å; L393-L396 HydrophobicContact CD2-CD2 4.48Å; L393-L396 WeakPolarHBondContact O-CB 3.49Å; L393-L396 PolarHBondContact O-N 3.19Å; H394-L396 VanDerWaalsContact C-N 3.27Å; H394-L396 PolarHBondContact O-N 2.77Å; L396-L400 WeakPolarHBondContact O-CB 3.48Å; L396-L400 PolarHBondContact O-N 3Å; L396-L455 HydrophobicContact CB-CB 4.38Å; L396-L455 VanDerWaalsContact CD1-O 3.31Å; L396-L455 WeakPolarHBondContact CD1-O 3.4Å; L396-G459 WeakPolarHBondContact O-CA 3.38Å |
| 397 | T | 94.3 | Very high | 90.6 | Very high | 18 Ų | 18 | 19.3 Ų | 19.3 | 11% | 0.11 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -73.1 | -30.6 | -179.2 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | L393 H394 L400 A401 V484 | L393-T397 WeakPolarHBondContact O-CG2 3.46Å; L393-T397 PolarHBondContact O-N 3.03Å; L393-T397 PolarHBondContact O-OG1 3.17Å; H394-T397 WeakPolarHBondContact CA-OG1 3.46Å; H394-T397 CarbonylContact O-C 3.58Å; H394-T397 WeakPolarHBondContact O-CA 3.47Å; H394-T397 PolarHBondContact O-N 3.46Å; H394-T397 PolarHBondContact O-OG1 3Å; T397-L400 WeakPolarHBondContact O-CB 3.06Å; T397-L400 PolarHBondContact O-N 3.22Å; T397-A401 PolarHBondContact O-N 3.36Å; T397-V484 HydrophobicContact CG2-CG1 4.04Å; T397-V484 HydrophobicContact CG2-CG2 4.3Å |
| 398 | D | 94.9 | Very high | 90.7 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.027 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.1 | -50.7 | 172 | -63.4 | -16 | 0 | 0 | 0 | 109.9 | H394 N395 L400 A401 I402 V420 F485 | H394-D398 IonicContact CD2-OD2 3.19Å; H394-D398 PolarHBondContact O-N 3.46Å; N395-D398 PolarHBondContact O-N 3.19Å; D398-L400 VanDerWaalsContact C-N 3.28Å; D398-L400 PolarHBondContact O-N 3.3Å; D398-A401 PolarHBondContact O-N 3.24Å; D398-I402 WeakPolarHBondContact O-CB 3.37Å; D398-I402 WeakPolarHBondContact O-CD1 3.3Å; D398-I402 WeakPolarHBondContact O-CG1 3.48Å; D398-I402 PolarHBondContact O-N 2.86Å; D398-V420 HydrophobicContact CB-CG1 3.93Å; D398-V420 HydrophobicContact CB-CG2 4.41Å; D398-F485 WeakPolarHBondContact OD1-CE1 3.34Å; D398-F485 WeakPolarHBondContact OD1-CZ 3.03Å |
| 399 | G | 96.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.6 | -46.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | N395 A401 I402 G403 G456 A460 | N395-G399 PolarHBondContact O-N 2.76Å; G399-A401 PolarHBondContact O-N 3.37Å; G399-I402 PolarHBondContact O-N 3.1Å; G399-G403 PolarHBondContact O-N 3.02Å; G399-G456 WeakPolarHBondContact CA-O 3.25Å; G399-A460 WeakPolarHBondContact O-CA 3.14Å; G399-A460 PolarHBondContact O-N 3.46Å |
| 400 | L | 95.9 | Very high | 90.7 | Very high | 23 Ų | 23 | 24 Ų | 24 | 12% | 0.12 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.2 | -48.5 | 178 | -173.8 | 75.2 | 0 | 0 | 0 | 112.3 | L396 T397 D398 A404 G459 L462 G463 L466 V477 | L396-L400 WeakPolarHBondContact O-CB 3.48Å; L396-L400 PolarHBondContact O-N 3Å; T397-L400 WeakPolarHBondContact O-CB 3.06Å; T397-L400 PolarHBondContact O-N 3.22Å; D398-L400 VanDerWaalsContact C-N 3.28Å; D398-L400 PolarHBondContact O-N 3.3Å; L400-A404 WeakPolarHBondContact O-CB 3.42Å; L400-A404 PolarHBondContact O-N 2.86Å; L400-G459 VanDerWaalsContact CA-O 3.29Å; L400-G459 WeakPolarHBondContact CA-O 3.28Å; L400-G459 VanDerWaalsContact N-C 3.33Å; L400-L462 HydrophobicContact CD1-CB 4Å; L400-L462 HydrophobicContact CD1-CD2 3.88Å; L400-L462 HydrophobicContact CD1-CG 3.73Å; L400-G463 WeakPolarHBondContact O-CA 3.45Å; L400-L466 HydrophobicContact CD1-CD1 4.1Å; L400-V477 HydrophobicContact CD2-CG1 3.84Å; L400-V477 HydrophobicContact CG-CG1 3.65Å |
| 401 | A | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | T397 D398 G399 G403 A404 A405 T416 F478 T481 | T397-A401 PolarHBondContact O-N 3.36Å; D398-A401 PolarHBondContact O-N 3.24Å; G399-A401 PolarHBondContact O-N 3.37Å; A401-G403 PolarHBondContact O-N 3.11Å; A401-A404 PolarHBondContact O-N 3.16Å; A401-A405 VanDerWaalsContact O-CB 3.3Å; A401-A405 WeakPolarHBondContact O-CB 3.33Å; A401-A405 PolarHBondContact O-N 3.2Å; A401-T416 HydrophobicContact CB-CG2 4.35Å; A401-F478 HydrophobicContact CB-CD1 4.35Å; A401-F478 HydrophobicContact CB-CE1 4.42Å; A401-T481 HydrophobicContact CB-CG2 3.96Å |
| 402 | I | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | 177.7 | -69.3 | 164.1 | 0 | 0 | 0 | 111.1 | A219 V220 L223 D398 G399 A404 A405 F406 T416 V420 | A219-I402 HydrophobicContact CB-CG2 3.87Å; V220-I402 HydrophobicContact CG2-CD1 4.39Å; L223-I402 HydrophobicContact CD1-CD1 3.19Å; D398-I402 WeakPolarHBondContact O-CB 3.37Å; D398-I402 WeakPolarHBondContact O-CD1 3.3Å; D398-I402 WeakPolarHBondContact O-CG1 3.48Å; D398-I402 PolarHBondContact O-N 2.86Å; G399-I402 PolarHBondContact O-N 3.1Å; I402-A404 VanDerWaalsContact C-N 3.34Å; I402-A404 PolarHBondContact O-N 3.07Å; I402-A405 PolarHBondContact O-N 3.48Å; I402-F406 HydrophobicContact CG2-CD2 3.65Å; I402-F406 HydrophobicContact CG2-CE2 3.74Å; I402-F406 WeakPolarHBondContact O-CD2 3.44Å; I402-F406 PolarHBondContact O-N 2.96Å; I402-T416 HydrophobicContact CG1-CG2 3.99Å; I402-V420 HydrophobicContact CD1-CG2 4.4Å |
| 403 | G | 94.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G399 A401 S407 V464 | G399-G403 PolarHBondContact O-N 3.02Å; A401-G403 PolarHBondContact O-N 3.11Å; G403-S407 WeakPolarHBondContact O-CB 3.26Å; G403-S407 PolarHBondContact O-N 3.26Å; G403-S407 PolarHBondContact O-OG 2.93Å; G403-V464 VanDerWaalsContact O-CG2 3.28Å; G403-V464 WeakPolarHBondContact O-CG2 3.31Å |
| 404 | A | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L400 A401 I402 S407 D408 T474 V477 F478 | L400-A404 WeakPolarHBondContact O-CB 3.42Å; L400-A404 PolarHBondContact O-N 2.86Å; A401-A404 PolarHBondContact O-N 3.16Å; I402-A404 VanDerWaalsContact C-N 3.34Å; I402-A404 PolarHBondContact O-N 3.07Å; A404-S407 WeakPolarHBondContact O-CB 3.12Å; A404-S407 PolarHBondContact O-N 2.95Å; A404-D408 PolarHBondContact O-N 3.21Å; A404-T474 HydrophobicContact CB-CG2 3.86Å; A404-V477 HydrophobicContact CB-CB 4.38Å; A404-V477 HydrophobicContact CB-CG1 3.87Å; A404-F478 HydrophobicContact CB-CE1 4.2Å; A404-F478 HydrophobicContact CB-CZ 4.45Å |
| 405 | A | 90.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.8 | -45.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A401 I402 S407 D408 G409 T416 F478 | A401-A405 VanDerWaalsContact O-CB 3.3Å; A401-A405 WeakPolarHBondContact O-CB 3.33Å; A401-A405 PolarHBondContact O-N 3.2Å; I402-A405 PolarHBondContact O-N 3.48Å; A405-S407 PolarHBondContact O-N 3.41Å; A405-D408 WeakPolarHBondContact O-CB 3.21Å; A405-D408 PolarHBondContact O-N 2.99Å; A405-G409 PolarHBondContact O-N 3.47Å; A405-G409 VanDerWaalsContact O-O 3.07Å; A405-T416 HydrophobicContact CB-CG2 4.26Å; A405-T416 WeakPolarHBondContact CB-OG1 3.21Å; A405-F478 HydrophobicContact CB-CE1 4Å; A405-F478 HydrophobicContact CB-CZ 3.8Å |
| 406 | F | 90.8 | Very high | 90.4 | Very high | 17 Ų | 17 | 23.4 Ų | 23.4 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.9 | -21.5 | 174.7 | -84.3 | -66.4 | 0 | 0 | 0 | 113.3 | A212 Q215 S216 A219 I402 D408 F410 G413 T417 | A212-F406 HydrophobicContact CB-CB 4.46Å; Q215-F406 HydrophobicContact CB-CD1 3.71Å; Q215-F406 HydrophobicContact CB-CD2 4.4Å; Q215-F406 HydrophobicContact CB-CE1 3.86Å; Q215-F406 HydrophobicContact CB-CG 4.02Å; Q215-F406 HydrophobicContact CB-CZ 4.26Å; Q215-F406 HydrophobicContact CG-CD1 4.46Å; S216-F406 WeakPolarHBondContact OG-CB 3.21Å; S216-F406 WeakPolarHBondContact OG-CD2 3.4Å; A219-F406 HydrophobicContact CB-CE2 3.77Å; A219-F406 HydrophobicContact CB-CZ 4.42Å; I402-F406 HydrophobicContact CG2-CD2 3.65Å; I402-F406 HydrophobicContact CG2-CE2 3.74Å; I402-F406 WeakPolarHBondContact O-CD2 3.44Å; I402-F406 PolarHBondContact O-N 2.96Å; F406-D408 VanDerWaalsContact C-N 3.32Å; F406-F410 HydrophobicContact CE1-CD2 4Å; F406-F410 HydrophobicContact CE1-CE2 4.33Å; F406-G413 WeakPolarHBondContact CE2-O 3.44Å; F406-G413 WeakPolarHBondContact CZ-O 3.41Å; F406-T417 WeakPolarHBondContact CE2-OG1 3.34Å |
| 407 | S | 87.5 | Confident | 90.4 | Very high | 44 Ų | 44 | 21 Ų | 21 | 31% | 0.308 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -75.8 | -24.3 | 171.9 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | G403 A404 A405 V464 S467 | G403-S407 WeakPolarHBondContact O-CB 3.26Å; G403-S407 PolarHBondContact O-N 3.26Å; G403-S407 PolarHBondContact O-OG 2.93Å; A404-S407 WeakPolarHBondContact O-CB 3.12Å; A404-S407 PolarHBondContact O-N 2.95Å; A405-S407 PolarHBondContact O-N 3.41Å; S407-V464 WeakPolarHBondContact OG-CA 3.35Å; S407-S467 VanDerWaalsContact CB-CB 3.48Å |
| 408 | D | 81.6 | Confident | 90.3 | Very high | 112 Ų | 112 | 23.4 Ų | 23.4 | 60% | 0.599 | 13% | 0.133 | S | C | * | . | H | α-helix | trans | -84.4 | -39.4 | 175.3 | -164.9 | 60.1 | 0 | 0 | 0 | 111.5 | A404 A405 F406 | A404-D408 PolarHBondContact O-N 3.21Å; A405-D408 WeakPolarHBondContact O-CB 3.21Å; A405-D408 PolarHBondContact O-N 2.99Å; F406-D408 VanDerWaalsContact C-N 3.32Å |
| 409 | G | 82.1 | Confident | 90.1 | Very high | 26 Ų | 26 | 23.1 Ų | 23.1 | 27% | 0.268 | 13% | 0.132 | S | C | . | . | trans | 174.8 | 164 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A405 S411 S412 G413 | A405-G409 PolarHBondContact O-N 3.47Å; A405-G409 VanDerWaalsContact O-O 3.07Å; G409-S411 PolarHBondContact O-N 3.48Å; G409-S412 PolarHBondContact O-N 3.27Å; G409-G413 PolarHBondContact O-N 3.41Å | ||
| 410 | F | 84.2 | Confident | 90 | Very high | 92 Ų | 92 | 23.1 Ų | 23.1 | 40% | 0.404 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 179.7 | -179.2 | -99.5 | 0 | 0 | 0 | 113.6 | F406 L414 | F406-F410 HydrophobicContact CE1-CD2 4Å; F406-F410 HydrophobicContact CE1-CE2 4.33Å; F410-L414 HydrophobicContact CE1-CD2 4.19Å; F410-L414 HydrophobicContact CZ-CD2 4.49Å; F410-L414 VanDerWaalsContact O-CB 3.31Å; F410-L414 WeakPolarHBondContact O-CB 3.3Å; F410-L414 PolarHBondContact O-N 3.24Å |
| 411 | S | 82.3 | Confident | 89.8 | Confident | 35 Ų | 35 | 26 Ų | 26 | 25% | 0.245 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -49.5 | 179.4 | -159.3 | 0 | 0 | 0 | 0 | 111.7 | G409 G413 L414 S415 E530 | G409-S411 PolarHBondContact O-N 3.48Å; S411-G413 PolarHBondContact O-N 3.35Å; S411-L414 PolarHBondContact O-N 3.19Å; S411-S415 WeakPolarHBondContact O-CB 3.29Å; S411-S415 PolarHBondContact O-N 2.94Å; S411-E530 PolarHBondContact OG-O 2.97Å |
| 412 | S | 84.8 | Confident | 89.6 | Confident | 9 Ų | 9 | 27.2 Ų | 27.2 | 6% | 0.063 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.9 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | H268 G409 L414 S415 T416 | H268-S412 PolarHBondContact NE2-OG 3.03Å; G409-S412 PolarHBondContact O-N 3.27Å; S412-L414 PolarHBondContact O-N 3.11Å; S412-S415 PolarHBondContact O-N 3.41Å; S412-T416 VanDerWaalsContact O-CB 3.29Å; S412-T416 WeakPolarHBondContact O-CB 3.46Å; S412-T416 PolarHBondContact O-N 2.99Å; S412-T416 PolarHBondContact O-OG1 3.28Å |
| 413 | G | 90 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61 | -42 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F406 G409 S411 T417 | F406-G413 WeakPolarHBondContact CE2-O 3.44Å; F406-G413 WeakPolarHBondContact CZ-O 3.41Å; G409-G413 PolarHBondContact O-N 3.41Å; S411-G413 PolarHBondContact O-N 3.35Å; G413-T417 WeakPolarHBondContact O-CB 3.44Å; G413-T417 PolarHBondContact O-N 3.5Å; G413-T417 PolarHBondContact O-OG1 3.5Å |
| 414 | L | 89.7 | Confident | 89.3 | Confident | 52 Ų | 52 | 27.5 Ų | 27.5 | 27% | 0.272 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -68 | -45.2 | 176.9 | -178.8 | 63 | 0 | 0 | 0 | 111.8 | F410 S411 S412 T417 L418 L533 | F410-L414 HydrophobicContact CE1-CD2 4.19Å; F410-L414 HydrophobicContact CZ-CD2 4.49Å; F410-L414 VanDerWaalsContact O-CB 3.31Å; F410-L414 WeakPolarHBondContact O-CB 3.3Å; F410-L414 PolarHBondContact O-N 3.24Å; S411-L414 PolarHBondContact O-N 3.19Å; S412-L414 PolarHBondContact O-N 3.11Å; L414-T417 PolarHBondContact O-N 3.25Å; L414-L418 HydrophobicContact CG-CD1 4.28Å; L414-L418 WeakPolarHBondContact O-CG 3.49Å; L414-L418 PolarHBondContact O-N 2.87Å; L414-L533 HydrophobicContact CD2-CD2 4.44Å |
| 415 | S | 89.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.7 | -50 | 175.5 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | H264 S411 S412 T417 L418 A419 E530 | H264-S415 PolarHBondContact NE2-OG 2.81Å; S411-S415 WeakPolarHBondContact O-CB 3.29Å; S411-S415 PolarHBondContact O-N 2.94Å; S412-S415 PolarHBondContact O-N 3.41Å; S415-T417 PolarHBondContact O-N 3.45Å; S415-L418 PolarHBondContact O-N 2.66Å; S415-L418 VanDerWaalsContact O-N 3.16Å; S415-A419 WeakPolarHBondContact O-CB 3.43Å; S415-A419 PolarHBondContact O-N 2.9Å; S415-E530 VanDerWaalsContact CB-OE1 3.27Å; S415-E530 WeakPolarHBondContact CB-OE1 3.14Å; S415-E530 PolarHBondContact OG-OE1 3.44Å |
| 416 | T | 92.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 176.1 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | H264 A401 I402 A405 S412 L418 A419 V420 | H264-T416 VanDerWaalsContact CE1-CA 3.49Å; H264-T416 WeakPolarHBondContact CE1-CA 3.35Å; H264-T416 PolarHBondContact CE1-OG1 3.3Å; A401-T416 HydrophobicContact CB-CG2 4.35Å; I402-T416 HydrophobicContact CG1-CG2 3.99Å; A405-T416 HydrophobicContact CB-CG2 4.26Å; A405-T416 WeakPolarHBondContact CB-OG1 3.21Å; S412-T416 VanDerWaalsContact O-CB 3.29Å; S412-T416 WeakPolarHBondContact O-CB 3.46Å; S412-T416 PolarHBondContact O-N 2.99Å; S412-T416 PolarHBondContact O-OG1 3.28Å; T416-L418 VanDerWaalsContact C-N 3.34Å; T416-L418 PolarHBondContact O-N 2.72Å; T416-A419 WeakPolarHBondContact O-CB 3.36Å; T416-A419 PolarHBondContact O-N 3.27Å; T416-V420 WeakPolarHBondContact O-CG2 3.39Å; T416-V420 PolarHBondContact O-N 3.38Å |
| 417 | T | 94.6 | Very high | 88.8 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 176.9 | -58 | 0 | 0 | 0 | 0 | 111.6 | A219 L223 F406 G413 L414 S415 F421 | A219-T417 HydrophobicContact CB-CG2 3.64Å; A219-T417 WeakPolarHBondContact CB-OG1 3.42Å; L223-T417 HydrophobicContact CG-CG2 4.47Å; F406-T417 WeakPolarHBondContact CE2-OG1 3.34Å; G413-T417 WeakPolarHBondContact O-CB 3.44Å; G413-T417 PolarHBondContact O-N 3.5Å; G413-T417 PolarHBondContact O-OG1 3.5Å; L414-T417 PolarHBondContact O-N 3.25Å; S415-T417 PolarHBondContact O-N 3.45Å; T417-F421 WeakPolarHBondContact O-CB 3.41Å; T417-F421 PolarHBondContact O-N 3.25Å |
| 418 | L | 92.2 | Very high | 88.8 | Confident | 67 Ų | 67 | 27.8 Ų | 27.8 | 35% | 0.351 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -67.7 | -40.8 | 177.4 | -70.3 | 172.1 | 0 | 0 | 0 | 111.6 | L414 S415 T416 F421 C422 L533 | L414-L418 HydrophobicContact CG-CD1 4.28Å; L414-L418 WeakPolarHBondContact O-CG 3.49Å; L414-L418 PolarHBondContact O-N 2.87Å; S415-L418 PolarHBondContact O-N 2.66Å; S415-L418 VanDerWaalsContact O-N 3.16Å; T416-L418 VanDerWaalsContact C-N 3.34Å; T416-L418 PolarHBondContact O-N 2.72Å; L418-F421 PolarHBondContact O-N 2.94Å; L418-C422 PolarHBondContact O-N 3.49Å; L418-C422 VanDerWaalsContact O-N 3.16Å; L418-C422 PolarHBondContact O-SG 3.31Å; L418-L533 HydrophobicContact CD1-CD1 4.37Å; L418-L533 HydrophobicContact CD1-CD2 4.21Å |
| 419 | A | 91.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.2 | -52.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S415 T416 F421 C422 M523 | S415-A419 WeakPolarHBondContact O-CB 3.43Å; S415-A419 PolarHBondContact O-N 2.9Å; T416-A419 WeakPolarHBondContact O-CB 3.36Å; T416-A419 PolarHBondContact O-N 3.27Å; A419-F421 PolarHBondContact O-N 2.93Å; A419-C422 WeakPolarHBondContact O-CB 3.45Å; A419-C422 PolarHBondContact O-N 2.99Å; A419-M523 HydrophobicContact CB-CE 3.36Å; A419-M523 HydrophobicContact CB-SD 4.3Å |
| 420 | V | 94.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 177.6 | 176 | 0 | 0 | 0 | 0 | 111.4 | L223 D398 I402 T416 C422 H423 E424 | L223-V420 HydrophobicContact CD1-CB 4.08Å; L223-V420 HydrophobicContact CD1-CG1 3.64Å; L223-V420 HydrophobicContact CD2-CB 4.24Å; L223-V420 HydrophobicContact CD2-CG1 3.94Å; L223-V420 HydrophobicContact CG-CG1 4.39Å; D398-V420 HydrophobicContact CB-CG1 3.93Å; D398-V420 HydrophobicContact CB-CG2 4.41Å; I402-V420 HydrophobicContact CD1-CG2 4.4Å; T416-V420 WeakPolarHBondContact O-CG2 3.39Å; T416-V420 PolarHBondContact O-N 3.38Å; V420-C422 PolarHBondContact O-N 3.35Å; V420-C422 VanDerWaalsContact O-N 3.1Å; V420-H423 PolarHBondContact O-CD2 3.26Å; V420-H423 PolarHBondContact O-N 3.02Å; V420-E424 WeakPolarHBondContact O-CB 3.47Å; V420-E424 PolarHBondContact O-N 2.91Å |
| 421 | F | 92.9 | Very high | 89.3 | Confident | 83 Ų | 83 | 18.8 Ų | 18.8 | 36% | 0.364 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -56.1 | -34.4 | 178.8 | -177.2 | -92.8 | 0 | 0 | 0 | 112.8 | L223 P226 T417 L418 A419 H423 | L223-F421 VanDerWaalsContact CD2-CA 3.42Å; L223-F421 HydrophobicContact CD2-CB 3.58Å; L223-F421 HydrophobicContact CD2-CD2 4.06Å; L223-F421 HydrophobicContact CD2-CG 4.33Å; P226-F421 HydrophobicContact CG-CD2 4.05Å; P226-F421 HydrophobicContact CG-CE2 3.79Å; T417-F421 WeakPolarHBondContact O-CB 3.41Å; T417-F421 PolarHBondContact O-N 3.25Å; L418-F421 PolarHBondContact O-N 2.94Å; A419-F421 PolarHBondContact O-N 2.93Å; F421-H423 VanDerWaalsContact C-N 3.31Å; F421-H423 PolarHBondContact O-N 3.3Å |
| 422 | C | 90.6 | Very high | 89.6 | Confident | 25 Ų | 25 | 17.4 Ų | 17.4 | 17% | 0.169 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69 | -26.9 | -179.3 | -68.3 | 0 | 0 | 0 | 0 | 113.4 | T256 L418 A419 V420 P426 L522 M523 | T256-C422 HydrophobicContact CG2-CB 4.11Å; L418-C422 PolarHBondContact O-N 3.49Å; L418-C422 VanDerWaalsContact O-N 3.16Å; L418-C422 PolarHBondContact O-SG 3.31Å; A419-C422 WeakPolarHBondContact O-CB 3.45Å; A419-C422 PolarHBondContact O-N 2.99Å; V420-C422 PolarHBondContact O-N 3.35Å; V420-C422 VanDerWaalsContact O-N 3.1Å; C422-P426 WeakPolarHBondContact O-CD 3.35Å; C422-L522 HydrophobicContact CB-CD2 3.77Å; C422-L522 HydrophobicContact CB-CG 4.47Å; C422-L522 WeakPolarHBondContact SG-CD2 3.41Å; C422-M523 HydrophobicContact CB-SD 4.49Å |
| 423 | H | 91.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 17.3 Ų | 17.3 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -100.5 | -18 | 175.6 | 62.1 | -130.2 | 0 | 0 | 0 | 114.5 | T256 L257 D260 V420 F421 P426 H427 F485 | T256-H423 WeakPolarHBondContact OG1-CA 3.42Å; T256-H423 WeakPolarHBondContact OG1-CB 3.5Å; L257-H423 HydrophobicContact CD2-CB 4.1Å; L257-H423 HydrophobicContact CG-CB 3.86Å; D260-H423 IonicContact OD2-CE1 3.91Å; D260-H423 PolarHBondContact OD2-CE1 3.48Å; D260-H423 IonicContact OD2-ND1 3.64Å; V420-H423 PolarHBondContact O-CD2 3.26Å; V420-H423 PolarHBondContact O-N 3.02Å; F421-H423 VanDerWaalsContact C-N 3.31Å; F421-H423 PolarHBondContact O-N 3.3Å; H423-P426 WeakPolarHBondContact O-CD 3.5Å; H423-H427 WeakPolarHBondContact O-CB 3.25Å; H423-H427 PolarHBondContact O-N 2.94Å; H423-H427 VanDerWaalsContact O-N 3.14Å; H423-F485 AromaticContact CE1-CE2 3.7Å; H423-F485 AromaticContact CE1-CZ 3.97Å |
| 424 | E | 91.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 22.2 Ų | 22.2 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.7 | -46.9 | -176.3 | -167.3 | 59.7 | -164.7 | 0 | 0 | 113 | P226 H394 N395 V420 H427 E428 | P226-E424 HydrophobicContact CB-CG 4.19Å; P226-E424 HydrophobicContact CG-CB 4.43Å; P226-E424 HydrophobicContact CG-CG 4.27Å; H394-E424 IonicContact NE2-OE1 2.88Å; H394-E424 IonicContact NE2-OE2 3.19Å; N395-E424 PolarHBondContact OD1-OE1 3.38Å; V420-E424 WeakPolarHBondContact O-CB 3.47Å; V420-E424 PolarHBondContact O-N 2.91Å; E424-H427 PolarHBondContact O-N 3.2Å; E424-E428 HydrophobicContact CG-CG 4.23Å; E424-E428 VanDerWaalsContact O-CB 3.28Å; E424-E428 WeakPolarHBondContact O-CB 3.46Å; E424-E428 WeakPolarHBondContact O-CG 3.26Å; E424-E428 PolarHBondContact O-N 2.95Å; E424-E428 WeakPolarHBondContact OE1-CG 3.44Å |
| 425 | L | 86.6 | Confident | 89 | Confident | 52 Ų | 52 | 20.3 Ų | 20.3 | 27% | 0.272 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -60.8 | -48.5 | 179.5 | -179.9 | 74.4 | 0 | 0 | 0 | 112.9 | P226 L229 S230 H427 L429 | P226-L425 HydrophobicContact CB-CB 4.04Å; P226-L425 HydrophobicContact CB-CD1 3.99Å; P226-L425 HydrophobicContact CG-CB 4.49Å; L229-L425 HydrophobicContact CB-CD1 4.43Å; L229-L425 HydrophobicContact CD2-CD1 3.97Å; L229-L425 HydrophobicContact CG-CD1 4.21Å; S230-L425 WeakPolarHBondContact OG-CD1 3.34Å; S230-L425 PolarHBondContact OG-O 3.07Å; L425-H427 VanDerWaalsContact C-N 3.35Å; L425-L429 PolarHBondContact O-N 2.72Å |
| 426 | P | 87.5 | Confident | 88.7 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.032 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.5 | -33 | 179.2 | -15 | 30.2 | 0 | 0 | 0 | 112.9 | L249 L252 A253 C422 H423 G430 | L249-P426 HydrophobicContact CB-CB 3.93Å; L249-P426 HydrophobicContact CD2-CB 4.01Å; L249-P426 HydrophobicContact CD2-CG 4.2Å; L249-P426 WeakPolarHBondContact O-CB 3.43Å; L252-P426 HydrophobicContact CD2-CG 3.83Å; L252-P426 HydrophobicContact CG-CG 4.29Å; A253-P426 HydrophobicContact CB-CB 3.96Å; C422-P426 WeakPolarHBondContact O-CD 3.35Å; H423-P426 WeakPolarHBondContact O-CD 3.5Å; P426-G430 PolarHBondContact O-N 3.25Å |
| 427 | H | 87.9 | Confident | 88.2 | Confident | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.046 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.3 | -55.1 | 176.6 | -173.9 | -87.2 | 0 | 0 | 0 | 111.9 | A253 H394 H423 E424 L425 L429 G430 D431 M493 | A253-H427 HydrophobicContact CB-CB 4.49Å; H394-H427 AromaticContact CE1-CE1 3.22Å; H394-H427 PolarHBondContact CE1-CE1 3.46Å; H394-H427 AromaticContact CE1-ND1 3.35Å; H394-H427 PolarHBondContact CE1-ND1 3.19Å; H394-H427 VanDerWaalsContact CE1-ND1 3.35Å; H394-H427 AromaticContact ND1-CE1 3.34Å; H394-H427 PolarHBondContact ND1-CE1 2.83Å; H394-H427 VanDerWaalsContact ND1-CE1 3.34Å; H394-H427 AromaticContact ND1-ND1 3.88Å; H423-H427 WeakPolarHBondContact O-CB 3.25Å; H423-H427 PolarHBondContact O-N 2.94Å; H423-H427 VanDerWaalsContact O-N 3.14Å; E424-H427 PolarHBondContact O-N 3.2Å; L425-H427 VanDerWaalsContact C-N 3.35Å; H427-L429 VanDerWaalsContact C-N 3.26Å; H427-L429 PolarHBondContact O-N 3.14Å; H427-G430 WeakPolarHBondContact O-CA 3.4Å; H427-G430 PolarHBondContact O-N 2.88Å; H427-D431 IonicContact CE1-OD2 3.98Å; H427-D431 PolarHBondContact CE1-OD2 3.47Å; H427-D431 IonicContact ND1-OD2 3.14Å; H427-D431 PolarHBondContact O-N 3.43Å; H427-D431 VanDerWaalsContact O-N 3.11Å; H427-M493 VanDerWaalsContact CD2-CE 3.45Å; H427-M493 WeakPolarHBondContact CD2-CE 3.31Å |
| 428 | E | 88.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.9 | -37.3 | 179.8 | -79.7 | -84 | -140.8 | 0 | 0 | 112.9 | S227 E424 G430 D431 F432 | S227-E428 VanDerWaalsContact CB-OE1 3.23Å; S227-E428 WeakPolarHBondContact CB-OE1 3.4Å; S227-E428 PolarHBondContact OG-OE1 3.16Å; E424-E428 HydrophobicContact CG-CG 4.23Å; E424-E428 VanDerWaalsContact O-CB 3.28Å; E424-E428 WeakPolarHBondContact O-CB 3.46Å; E424-E428 WeakPolarHBondContact O-CG 3.26Å; E424-E428 PolarHBondContact O-N 2.95Å; E424-E428 WeakPolarHBondContact OE1-CG 3.44Å; E428-G430 VanDerWaalsContact C-N 3.32Å; E428-G430 PolarHBondContact O-N 2.94Å; E428-D431 PolarHBondContact O-N 3.3Å; E428-F432 HydrophobicContact CB-CE2 4.27Å; E428-F432 WeakPolarHBondContact O-CD2 3.4Å; E428-F432 WeakPolarHBondContact O-CG 3.32Å; E428-F432 PolarHBondContact O-N 2.97Å; E428-F432 WeakPolarHBondContact OE2-CE2 3.28Å; E428-F432 WeakPolarHBondContact OE2-CZ 3.5Å |
| 429 | L | 87.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 175.8 | -165.7 | 85.3 | 0 | 0 | 0 | 111.9 | S230 L233 L234 L246 L249 L425 H427 A433 | S230-L429 WeakPolarHBondContact O-CD1 3.28Å; L233-L429 HydrophobicContact CB-CD1 4.18Å; L233-L429 HydrophobicContact CD2-CD1 3.9Å; L233-L429 HydrophobicContact CD2-CD2 4.35Å; L233-L429 HydrophobicContact CG-CD1 4.45Å; L234-L429 HydrophobicContact CD1-CD1 4.25Å; L234-L429 HydrophobicContact CD2-CD1 4.29Å; L234-L429 HydrophobicContact CG-CD1 3.79Å; L234-L429 HydrophobicContact CG-CG 4.46Å; L246-L429 HydrophobicContact CD2-CD2 3.59Å; L246-L429 HydrophobicContact CD2-CG 3.81Å; L246-L429 HydrophobicContact CG-CD2 4.49Å; L249-L429 HydrophobicContact CD1-CD2 3.22Å; L249-L429 HydrophobicContact CG-CD2 4.5Å; L425-L429 PolarHBondContact O-N 2.72Å; H427-L429 VanDerWaalsContact C-N 3.26Å; H427-L429 PolarHBondContact O-N 3.14Å; L429-A433 VanDerWaalsContact O-CB 3.27Å; L429-A433 WeakPolarHBondContact O-CB 3.46Å; L429-A433 PolarHBondContact O-N 3.32Å |
| 430 | G | 84.2 | Confident | 86.9 | Confident | 20 Ų | 20 | 33.8 Ų | 33.8 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | P426 H427 E428 A433 M434 | P426-G430 PolarHBondContact O-N 3.25Å; H427-G430 WeakPolarHBondContact O-CA 3.4Å; H427-G430 PolarHBondContact O-N 2.88Å; E428-G430 VanDerWaalsContact C-N 3.32Å; E428-G430 PolarHBondContact O-N 2.94Å; G430-A433 PolarHBondContact O-N 3.39Å; G430-M434 PolarHBondContact O-N 3.38Å; G430-M434 VanDerWaalsContact O-N 3.08Å |
| 431 | D | 85.8 | Confident | 86.6 | Confident | 19 Ų | 19 | 36.5 Ų | 36.5 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.9 | -46.5 | -178.6 | -77.7 | -0.9 | 0 | 0 | 0 | 111.8 | V387 H427 E428 A433 M434 L435 | V387-D431 HydrophobicContact CG1-CB 4.14Å; H427-D431 IonicContact CE1-OD2 3.98Å; H427-D431 PolarHBondContact CE1-OD2 3.47Å; H427-D431 IonicContact ND1-OD2 3.14Å; H427-D431 PolarHBondContact O-N 3.43Å; H427-D431 VanDerWaalsContact O-N 3.11Å; E428-D431 PolarHBondContact O-N 3.3Å; D431-A433 VanDerWaalsContact C-N 3.33Å; D431-A433 PolarHBondContact O-N 3.03Å; D431-M434 PolarHBondContact O-N 3.1Å; D431-L435 WeakPolarHBondContact O-CB 3.2Å; D431-L435 WeakPolarHBondContact O-CG 3.35Å; D431-L435 PolarHBondContact O-N 3.24Å |
| 432 | F | 88.6 | Confident | 86.4 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.4 | -35.3 | 175.5 | -66.8 | -38.4 | 0 | 0 | 0 | 113.3 | S227 L231 L234 E428 M434 L435 L436 L445 | S227-F432 VanDerWaalsContact O-CE2 3.31Å; S227-F432 WeakPolarHBondContact O-CE2 3.5Å; L231-F432 HydrophobicContact CD1-CD2 4.49Å; L231-F432 HydrophobicContact CD1-CE2 4.24Å; L231-F432 HydrophobicContact CD1-CZ 4.31Å; L231-F432 HydrophobicContact CD2-CB 3.83Å; L231-F432 HydrophobicContact CD2-CD1 3.99Å; L231-F432 HydrophobicContact CD2-CD2 3.7Å; L231-F432 HydrophobicContact CD2-CE2 4.25Å; L231-F432 HydrophobicContact CD2-CG 3.55Å; L231-F432 HydrophobicContact CG-CD1 4.44Å; L231-F432 HydrophobicContact CG-CD2 3.59Å; L231-F432 HydrophobicContact CG-CE2 3.74Å; L231-F432 HydrophobicContact CG-CG 3.98Å; L231-F432 HydrophobicContact CG-CZ 4.25Å; L234-F432 HydrophobicContact CD1-CB 3.54Å; E428-F432 HydrophobicContact CB-CE2 4.27Å; E428-F432 WeakPolarHBondContact O-CD2 3.4Å; E428-F432 WeakPolarHBondContact O-CG 3.32Å; E428-F432 PolarHBondContact O-N 2.97Å; E428-F432 WeakPolarHBondContact OE2-CE2 3.28Å; E428-F432 WeakPolarHBondContact OE2-CZ 3.5Å; F432-M434 VanDerWaalsContact C-N 3.27Å; F432-M434 PolarHBondContact O-N 3.32Å; F432-L435 HydrophobicContact CD1-CD1 4.45Å; F432-L435 PolarHBondContact O-N 3.29Å; F432-L436 VanDerWaalsContact O-CB 3.27Å; F432-L436 WeakPolarHBondContact O-CB 3.45Å; F432-L436 VanDerWaalsContact O-CG 3.26Å; F432-L436 WeakPolarHBondContact O-CG 3.34Å; F432-L436 PolarHBondContact O-N 2.93Å; F432-L445 HydrophobicContact CD1-CB 4.08Å; F432-L445 HydrophobicContact CD1-CD1 4.26Å; F432-L445 HydrophobicContact CD1-CD2 4.29Å; F432-L445 HydrophobicContact CD1-CG 4.44Å; F432-L445 HydrophobicContact CE1-CB 4.08Å |
| 433 | A | 84.9 | Confident | 86.4 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L234 L246 L429 G430 D431 Q437 | L234-A433 HydrophobicContact CD2-CB 4.08Å; L246-A433 HydrophobicContact CD1-CB 3.72Å; L246-A433 HydrophobicContact CD2-CB 3.77Å; L246-A433 HydrophobicContact CG-CB 4.44Å; L429-A433 VanDerWaalsContact O-CB 3.27Å; L429-A433 WeakPolarHBondContact O-CB 3.46Å; L429-A433 PolarHBondContact O-N 3.32Å; G430-A433 PolarHBondContact O-N 3.39Å; D431-A433 VanDerWaalsContact C-N 3.33Å; D431-A433 PolarHBondContact O-N 3.03Å; A433-Q437 VanDerWaalsContact O-CG 3.3Å; A433-Q437 WeakPolarHBondContact O-CG 3.41Å; A433-Q437 PolarHBondContact O-N 3.49Å; A433-Q437 PolarHBondContact O-NE2 3.24Å |
| 434 | M | 82 | Confident | 86.3 | Confident | 103 Ų | 103 | 51.7 Ų | 51.7 | 51% | 0.507 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.1 | -46.7 | 175.3 | -78.9 | -64.7 | -63 | 0 | 0 | 112.4 | G430 D431 F432 L436 Q437 S438 | G430-M434 PolarHBondContact O-N 3.38Å; G430-M434 VanDerWaalsContact O-N 3.08Å; D431-M434 PolarHBondContact O-N 3.1Å; F432-M434 VanDerWaalsContact C-N 3.27Å; F432-M434 PolarHBondContact O-N 3.32Å; M434-L436 PolarHBondContact O-N 3.05Å; M434-Q437 WeakPolarHBondContact O-CB 3.34Å; M434-Q437 PolarHBondContact O-N 3.45Å; M434-S438 PolarHBondContact O-N 2.94Å; M434-S438 VanDerWaalsContact O-N 3.16Å |
| 435 | L | 84.1 | Confident | 86.2 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.8 | -35 | -176.8 | -66.1 | 169.8 | 0 | 0 | 0 | 112.5 | T384 V387 D431 F432 Q437 S438 G439 L440 L445 | T384-L435 HydrophobicContact CG2-CD2 3.66Å; V387-L435 HydrophobicContact CB-CD2 4.36Å; V387-L435 HydrophobicContact CG1-CD1 4.33Å; V387-L435 HydrophobicContact CG1-CD2 4.22Å; V387-L435 HydrophobicContact CG1-CG 4.26Å; D431-L435 WeakPolarHBondContact O-CB 3.2Å; D431-L435 WeakPolarHBondContact O-CG 3.35Å; D431-L435 PolarHBondContact O-N 3.24Å; F432-L435 HydrophobicContact CD1-CD1 4.45Å; F432-L435 PolarHBondContact O-N 3.29Å; L435-Q437 VanDerWaalsContact C-N 3.33Å; L435-Q437 PolarHBondContact O-N 3.03Å; L435-S438 WeakPolarHBondContact O-CB 3.42Å; L435-S438 PolarHBondContact O-N 3.49Å; L435-S438 PolarHBondContact O-OG 2.85Å; L435-G439 PolarHBondContact O-N 3.49Å; L435-L440 HydrophobicContact CB-CD1 4.02Å; L435-L440 HydrophobicContact CD2-CD1 3.9Å; L435-L440 HydrophobicContact CG-CD1 4.47Å; L435-L440 PolarHBondContact O-N 2.8Å; L435-L445 HydrophobicContact CB-CD1 4.49Å; L435-L445 HydrophobicContact CB-CD2 3.52Å; L435-L445 HydrophobicContact CD1-CD2 3.78Å; L435-L445 HydrophobicContact CG-CD2 4.25Å |
| 436 | L | 84.3 | Confident | 86.4 | Confident | 52 Ų | 52 | 51.9 Ų | 51.9 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 171.8 | -76.6 | 171.5 | 0 | 0 | 0 | 112 | L234 F432 M434 S438 G439 L445 | L234-L436 HydrophobicContact CD1-CD1 4.09Å; F432-L436 VanDerWaalsContact O-CB 3.27Å; F432-L436 WeakPolarHBondContact O-CB 3.45Å; F432-L436 VanDerWaalsContact O-CG 3.26Å; F432-L436 WeakPolarHBondContact O-CG 3.34Å; F432-L436 PolarHBondContact O-N 2.93Å; M434-L436 PolarHBondContact O-N 3.05Å; L436-S438 PolarHBondContact O-N 3.46Å; L436-G439 PolarHBondContact O-N 2.86Å; L436-L445 HydrophobicContact CD2-CD1 3.46Å; L436-L445 VanDerWaalsContact CD2-CD1 3.46Å; L436-L445 HydrophobicContact CG-CD1 3.56Å |
| 437 | Q | 80.9 | Confident | 86.6 | Confident | 154 Ų | 154 | 57 Ų | 57 | 72% | 0.72 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.8 | -28.1 | 174.9 | -73.1 | 173.4 | 65.2 | 0 | 0 | 112.2 | A433 M434 L435 G439 | A433-Q437 VanDerWaalsContact O-CG 3.3Å; A433-Q437 WeakPolarHBondContact O-CG 3.41Å; A433-Q437 PolarHBondContact O-N 3.49Å; A433-Q437 PolarHBondContact O-NE2 3.24Å; M434-Q437 WeakPolarHBondContact O-CB 3.34Å; M434-Q437 PolarHBondContact O-N 3.45Å; L435-Q437 VanDerWaalsContact C-N 3.33Å; L435-Q437 PolarHBondContact O-N 3.03Å; Q437-G439 PolarHBondContact O-N 3.44Å |
| 438 | S | 81.2 | Confident | 86.7 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -6 | 172.3 | 80.3 | 0 | 0 | 0 | 0 | 114.2 | T384 M434 L435 L436 | T384-S438 VanDerWaalsContact OG1-CB 3.29Å; T384-S438 WeakPolarHBondContact OG1-CB 3.3Å; T384-S438 PolarHBondContact OG1-OG 3.38Å; M434-S438 PolarHBondContact O-N 2.94Å; M434-S438 VanDerWaalsContact O-N 3.16Å; L435-S438 WeakPolarHBondContact O-CB 3.42Å; L435-S438 PolarHBondContact O-N 3.49Å; L435-S438 PolarHBondContact O-OG 2.85Å; L436-S438 PolarHBondContact O-N 3.46Å |
| 439 | G | 83.1 | Confident | 86.7 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 67% | 0.67 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | 11.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L435 L436 Q437 | L435-G439 PolarHBondContact O-N 3.49Å; L436-G439 PolarHBondContact O-N 2.86Å; Q437-G439 PolarHBondContact O-N 3.44Å |
| 440 | L | 86.3 | Confident | 86.9 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 17% | 0.173 | 33% | 0.334 | C | S | . | . | trans | -66.8 | 137.8 | 172.4 | -79.5 | 163.7 | 0 | 0 | 0 | 110.9 | T384 L435 R444 L445 | T384-L440 HydrophobicContact CG2-CD1 3.39Å; T384-L440 HydrophobicContact CG2-CG 4.31Å; L435-L440 HydrophobicContact CB-CD1 4.02Å; L435-L440 HydrophobicContact CD2-CD1 3.9Å; L435-L440 HydrophobicContact CG-CD1 4.47Å; L435-L440 PolarHBondContact O-N 2.8Å; L440-R444 HydrophobicContact CD2-CB 4.38Å; L440-L445 HydrophobicContact CB-CD1 4.49Å; L440-L445 HydrophobicContact CB-CD2 3.8Å; L440-L445 HydrophobicContact CB-CG 4.08Å; L440-L445 HydrophobicContact CD1-CD2 3.78Å; L440-L445 HydrophobicContact CG-CD2 4.4Å | ||
| 441 | S | 89.3 | Confident | 87.3 | Confident | 57 Ų | 57 | 67.6 Ų | 67.6 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | trans | -77.3 | 148.3 | 177.3 | 66.3 | 0 | 0 | 0 | 0 | 111 | R443 R444 L445 | S441-R443 PolarHBondContact O-N 2.91Å; S441-R443 VanDerWaalsContact O-N 3.16Å; S441-R444 WeakPolarHBondContact O-CA 3.42Å; S441-R444 WeakPolarHBondContact O-CB 3.36Å; S441-R444 PolarHBondContact O-N 3.24Å; S441-R444 WeakPolarHBondContact OG-CG 3.33Å; S441-L445 PolarHBondContact O-N 2.98Å; S441-L445 VanDerWaalsContact O-N 3.1Å | ||
| 442 | F | 88 | Confident | 87.7 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 31% | 0.307 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -48.9 | -44.3 | 179.2 | -176.5 | -82.9 | 0 | 0 | 0 | 113.4 | L231 R444 L445 L446 | L231-F442 HydrophobicContact CB-CD2 4.38Å; L231-F442 HydrophobicContact CB-CE2 3.57Å; L231-F442 HydrophobicContact CB-CZ 3.92Å; L231-F442 HydrophobicContact CD1-CE2 4.17Å; L231-F442 HydrophobicContact CD1-CZ 4.17Å; L231-F442 HydrophobicContact CD2-CD2 4.27Å; L231-F442 HydrophobicContact CD2-CE2 4.28Å; L231-F442 HydrophobicContact CG-CE2 4.23Å; F442-R444 VanDerWaalsContact C-N 3.3Å; F442-R444 PolarHBondContact O-N 3.31Å; F442-L445 PolarHBondContact O-N 3.15Å; F442-L446 PolarHBondContact O-N 3.42Å |
| 443 | R | 90.3 | Very high | 87.9 | Confident | 204 Ų | 204 | 67 Ų | 67 | 77% | 0.77 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.9 | -35.6 | 179.7 | -64.4 | -176.3 | -176.1 | 178.1 | 0.6 | 112.3 | S441 L447 | S441-R443 PolarHBondContact O-N 2.91Å; S441-R443 VanDerWaalsContact O-N 3.16Å; R443-L447 WeakPolarHBondContact O-CB 3.49Å; R443-L447 VanDerWaalsContact O-CG 3.26Å; R443-L447 WeakPolarHBondContact O-CG 3.49Å; R443-L447 PolarHBondContact O-N 2.99Å; R443-L447 VanDerWaalsContact O-N 3.09Å |
| 444 | R | 90.8 | Very high | 88.3 | Confident | 156 Ų | 156 | 69.2 Ų | 69.2 | 59% | 0.589 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.2 | -44 | 176.7 | -71.2 | 177 | -177.3 | 178.3 | 1.4 | 110.5 | L440 S441 F442 L446 L447 L448 | L440-R444 HydrophobicContact CD2-CB 4.38Å; S441-R444 WeakPolarHBondContact O-CA 3.42Å; S441-R444 WeakPolarHBondContact O-CB 3.36Å; S441-R444 PolarHBondContact O-N 3.24Å; S441-R444 WeakPolarHBondContact OG-CG 3.33Å; F442-R444 VanDerWaalsContact C-N 3.3Å; F442-R444 PolarHBondContact O-N 3.31Å; R444-L446 VanDerWaalsContact C-N 3.35Å; R444-L446 PolarHBondContact O-N 3.18Å; R444-L447 PolarHBondContact O-N 2.66Å; R444-L448 WeakPolarHBondContact O-CB 3.43Å; R444-L448 WeakPolarHBondContact O-CG 3.32Å; R444-L448 PolarHBondContact O-N 3.36Å |
| 445 | L | 88.9 | Confident | 89 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 177 | -63.9 | 175.6 | 0 | 0 | 0 | 112 | L231 F432 L435 L436 L440 S441 F442 L447 L448 S449 | L231-L445 HydrophobicContact CD1-CB 4.46Å; L231-L445 HydrophobicContact CD2-CB 4.39Å; L231-L445 HydrophobicContact CD2-CD1 4.2Å; F432-L445 HydrophobicContact CD1-CB 4.08Å; F432-L445 HydrophobicContact CD1-CD1 4.26Å; F432-L445 HydrophobicContact CD1-CD2 4.29Å; F432-L445 HydrophobicContact CD1-CG 4.44Å; F432-L445 HydrophobicContact CE1-CB 4.08Å; L435-L445 HydrophobicContact CB-CD1 4.49Å; L435-L445 HydrophobicContact CB-CD2 3.52Å; L435-L445 HydrophobicContact CD1-CD2 3.78Å; L435-L445 HydrophobicContact CG-CD2 4.25Å; L436-L445 HydrophobicContact CD2-CD1 3.46Å; L436-L445 VanDerWaalsContact CD2-CD1 3.46Å; L436-L445 HydrophobicContact CG-CD1 3.56Å; L440-L445 HydrophobicContact CB-CD1 4.49Å; L440-L445 HydrophobicContact CB-CD2 3.8Å; L440-L445 HydrophobicContact CB-CG 4.08Å; L440-L445 HydrophobicContact CD1-CD2 3.78Å; L440-L445 HydrophobicContact CG-CD2 4.4Å; S441-L445 PolarHBondContact O-N 2.98Å; S441-L445 VanDerWaalsContact O-N 3.1Å; F442-L445 PolarHBondContact O-N 3.15Å; L445-L447 PolarHBondContact O-N 3.49Å; L445-L448 PolarHBondContact O-N 2.56Å; L445-S449 WeakPolarHBondContact O-CB 3.43Å; L445-S449 PolarHBondContact O-N 3.2Å |
| 446 | L | 89.7 | Confident | 89.6 | Confident | 59 Ų | 59 | 67.7 Ų | 67.7 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 176.1 | -174.5 | 66 | 0 | 0 | 0 | 112.3 | P228 L231 F442 R444 L448 S449 L450 | P228-L446 HydrophobicContact CB-CD1 4.22Å; L231-L446 HydrophobicContact CD1-CB 4.28Å; L231-L446 HydrophobicContact CD1-CD1 4.37Å; F442-L446 PolarHBondContact O-N 3.42Å; R444-L446 VanDerWaalsContact C-N 3.35Å; R444-L446 PolarHBondContact O-N 3.18Å; L446-L448 VanDerWaalsContact C-N 3.32Å; L446-L448 PolarHBondContact O-N 2.96Å; L446-S449 PolarHBondContact O-N 3.33Å; L446-L450 WeakPolarHBondContact O-CG 3.32Å; L446-L450 PolarHBondContact O-N 3.22Å |
| 447 | L | 91.8 | Very high | 90.2 | Very high | 112 Ų | 112 | 68.6 Ų | 68.6 | 59% | 0.586 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.9 | -38.2 | 176.2 | -74.8 | 169.5 | 0 | 0 | 0 | 112.4 | R443 R444 L445 L450 V451 | R443-L447 WeakPolarHBondContact O-CB 3.49Å; R443-L447 VanDerWaalsContact O-CG 3.26Å; R443-L447 WeakPolarHBondContact O-CG 3.49Å; R443-L447 PolarHBondContact O-N 2.99Å; R443-L447 VanDerWaalsContact O-N 3.09Å; R444-L447 PolarHBondContact O-N 2.66Å; L445-L447 PolarHBondContact O-N 3.49Å; L447-L450 PolarHBondContact O-N 2.86Å; L447-V451 WeakPolarHBondContact O-CG2 3.27Å; L447-V451 PolarHBondContact O-N 2.99Å; L447-V451 VanDerWaalsContact O-N 3.12Å |
| 448 | L | 90.3 | Very high | 91 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 179.2 | -75.9 | 174.7 | 0 | 0 | 0 | 111.8 | L388 R444 L445 L446 L450 V451 S452 | L388-L448 HydrophobicContact CD1-CB 3.68Å; L388-L448 HydrophobicContact CD1-CD1 3.99Å; L388-L448 HydrophobicContact CD1-CD2 4.01Å; L388-L448 HydrophobicContact CD1-CG 4.08Å; L388-L448 HydrophobicContact CD2-CD1 3.79Å; L388-L448 HydrophobicContact CD2-CD2 3.58Å; L388-L448 HydrophobicContact CD2-CG 4.18Å; L388-L448 HydrophobicContact CG-CD2 4.39Å; R444-L448 WeakPolarHBondContact O-CB 3.43Å; R444-L448 WeakPolarHBondContact O-CG 3.32Å; R444-L448 PolarHBondContact O-N 3.36Å; L445-L448 PolarHBondContact O-N 2.56Å; L446-L448 VanDerWaalsContact C-N 3.32Å; L446-L448 PolarHBondContact O-N 2.96Å; L448-L450 VanDerWaalsContact C-N 3.32Å; L448-L450 PolarHBondContact O-N 2.92Å; L448-V451 WeakPolarHBondContact O-CB 3.4Å; L448-V451 PolarHBondContact O-N 3.28Å; L448-V451 VanDerWaalsContact O-N 3.11Å; L448-S452 PolarHBondContact O-N 3.35Å |
| 449 | S | 89.6 | Confident | 91.7 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 6% | 0.063 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 172.3 | 162.5 | 0 | 0 | 0 | 0 | 112.2 | S227 L445 L446 V451 S452 G453 | S227-S449 WeakPolarHBondContact CB-OG 3.2Å; S227-S449 PolarHBondContact OG-OG 2.88Å; S227-S449 VanDerWaalsContact OG-OG 3.1Å; L445-S449 WeakPolarHBondContact O-CB 3.43Å; L445-S449 PolarHBondContact O-N 3.2Å; L446-S449 PolarHBondContact O-N 3.33Å; S449-V451 VanDerWaalsContact C-N 3.31Å; S449-V451 PolarHBondContact O-N 3.3Å; S449-S452 WeakPolarHBondContact O-CA 3.29Å; S449-S452 VanDerWaalsContact O-CB 3.3Å; S449-S452 WeakPolarHBondContact O-CB 3.12Å; S449-S452 PolarHBondContact O-N 2.92Å; S449-S452 VanDerWaalsContact O-N 3.15Å; S449-G453 PolarHBondContact O-N 3.28Å |
| 450 | L | 91.3 | Very high | 92.4 | Very high | 107 Ų | 107 | 57.6 Ų | 57.6 | 56% | 0.56 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.1 | -36.3 | 172 | -72.8 | 170.4 | 0 | 0 | 0 | 113 | L446 L447 L448 A454 | L446-L450 WeakPolarHBondContact O-CG 3.32Å; L446-L450 PolarHBondContact O-N 3.22Å; L447-L450 PolarHBondContact O-N 2.86Å; L448-L450 VanDerWaalsContact C-N 3.32Å; L448-L450 PolarHBondContact O-N 2.92Å; L450-A454 WeakPolarHBondContact O-CB 3.49Å; L450-A454 PolarHBondContact O-N 3.43Å |
| 451 | V | 92.9 | Very high | 92.8 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.9 | -41.1 | 173.6 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | L447 L448 S449 A454 L455 | L447-V451 WeakPolarHBondContact O-CG2 3.27Å; L447-V451 PolarHBondContact O-N 2.99Å; L447-V451 VanDerWaalsContact O-N 3.12Å; L448-V451 WeakPolarHBondContact O-CB 3.4Å; L448-V451 PolarHBondContact O-N 3.28Å; L448-V451 VanDerWaalsContact O-N 3.11Å; S449-V451 VanDerWaalsContact C-N 3.31Å; S449-V451 PolarHBondContact O-N 3.3Å; V451-A454 WeakPolarHBondContact O-CB 3.34Å; V451-A454 PolarHBondContact O-N 3.24Å; V451-L455 PolarHBondContact O-N 2.89Å; V451-L455 VanDerWaalsContact O-N 3.08Å |
| 452 | S | 92.7 | Very high | 93 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 175.2 | -150.1 | 0 | 0 | 0 | 0 | 111.9 | D391 G392 N395 L448 S449 A454 L455 G456 | D391-S452 PolarHBondContact O-OG 2.83Å; D391-S452 WeakPolarHBondContact OD2-CB 3.32Å; D391-S452 PolarHBondContact OD2-OG 3.12Å; G392-S452 VanDerWaalsContact CA-OG 3.29Å; G392-S452 WeakPolarHBondContact CA-OG 3.42Å; G392-S452 PolarHBondContact N-OG 3.28Å; N395-S452 WeakPolarHBondContact ND2-CB 3.36Å; N395-S452 PolarHBondContact ND2-OG 3.1Å; L448-S452 PolarHBondContact O-N 3.35Å; S449-S452 WeakPolarHBondContact O-CA 3.29Å; S449-S452 VanDerWaalsContact O-CB 3.3Å; S449-S452 WeakPolarHBondContact O-CB 3.12Å; S449-S452 PolarHBondContact O-N 2.92Å; S449-S452 VanDerWaalsContact O-N 3.15Å; S452-A454 VanDerWaalsContact C-N 3.28Å; S452-A454 PolarHBondContact O-N 3.4Å; S452-L455 WeakPolarHBondContact O-CA 3.42Å; S452-L455 VanDerWaalsContact O-CB 3.29Å; S452-L455 WeakPolarHBondContact O-CB 3.18Å; S452-L455 PolarHBondContact O-N 3.16Å; S452-G456 PolarHBondContact O-N 3.25Å |
| 453 | G | 92.9 | Very high | 93.3 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.5 | -31.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S449 L455 G456 L457 | S449-G453 PolarHBondContact O-N 3.28Å; G453-L455 VanDerWaalsContact C-N 3.34Å; G453-G456 PolarHBondContact O-N 3.12Å; G453-L457 PolarHBondContact O-N 3.12Å |
| 454 | A | 95 | Very high | 93.3 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.7 | -33.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | L450 V451 S452 G456 L457 G458 | L450-A454 WeakPolarHBondContact O-CB 3.49Å; L450-A454 PolarHBondContact O-N 3.43Å; V451-A454 WeakPolarHBondContact O-CB 3.34Å; V451-A454 PolarHBondContact O-N 3.24Å; S452-A454 VanDerWaalsContact C-N 3.28Å; S452-A454 PolarHBondContact O-N 3.4Å; A454-G456 VanDerWaalsContact C-N 3.34Å; A454-L457 PolarHBondContact O-N 3.35Å; A454-G458 PolarHBondContact O-N 3.4Å; A454-G458 VanDerWaalsContact O-N 3.08Å |
| 455 | L | 95.8 | Very high | 93.3 | Very high | 79 Ų | 79 | 43.6 Ų | 43.6 | 41% | 0.414 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 170.1 | -65.5 | 172.2 | 0 | 0 | 0 | 110.7 | L396 V451 S452 G453 L457 G458 G459 | L396-L455 HydrophobicContact CB-CB 4.38Å; L396-L455 VanDerWaalsContact CD1-O 3.31Å; L396-L455 WeakPolarHBondContact CD1-O 3.4Å; V451-L455 PolarHBondContact O-N 2.89Å; V451-L455 VanDerWaalsContact O-N 3.08Å; S452-L455 WeakPolarHBondContact O-CA 3.42Å; S452-L455 VanDerWaalsContact O-CB 3.29Å; S452-L455 WeakPolarHBondContact O-CB 3.18Å; S452-L455 PolarHBondContact O-N 3.16Å; G453-L455 VanDerWaalsContact C-N 3.34Å; L455-L457 VanDerWaalsContact C-N 3.35Å; L455-L457 PolarHBondContact O-N 2.87Å; L455-G458 CarbonylContact O-C 3.54Å; L455-G458 WeakPolarHBondContact O-CA 3.31Å; L455-G458 PolarHBondContact O-N 3.21Å; L455-G458 VanDerWaalsContact O-N 3.09Å; L455-G459 PolarHBondContact O-N 3.02Å |
| 456 | G | 96.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N395 G399 S452 G453 A454 G458 G459 A460 | N395-G456 WeakPolarHBondContact O-CA 3.39Å; G399-G456 WeakPolarHBondContact CA-O 3.25Å; S452-G456 PolarHBondContact O-N 3.25Å; G453-G456 PolarHBondContact O-N 3.12Å; A454-G456 VanDerWaalsContact C-N 3.34Å; G456-G458 VanDerWaalsContact C-N 3.31Å; G456-G458 PolarHBondContact O-N 2.82Å; G456-G459 WeakPolarHBondContact O-CA 3.3Å; G456-G459 PolarHBondContact O-N 3.28Å; G456-G459 VanDerWaalsContact O-N 3.14Å; G456-A460 PolarHBondContact O-N 3.29Å |
| 457 | L | 97.1 | Very high | 92.9 | Very high | 72 Ų | 72 | 45 Ų | 45 | 38% | 0.377 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 171.6 | -82.7 | 161.6 | 0 | 0 | 0 | 111.7 | A217 V220 G453 A454 L455 G459 A460 V461 | A217-L457 HydrophobicContact CB-CD2 3.79Å; V220-L457 HydrophobicContact CB-CD2 4.41Å; V220-L457 HydrophobicContact CB-CG 4.45Å; V220-L457 HydrophobicContact CG1-CD2 4.44Å; V220-L457 HydrophobicContact CG1-CG 3.94Å; G453-L457 PolarHBondContact O-N 3.12Å; A454-L457 PolarHBondContact O-N 3.35Å; L455-L457 VanDerWaalsContact C-N 3.35Å; L455-L457 PolarHBondContact O-N 2.87Å; L457-G459 VanDerWaalsContact C-N 3.32Å; L457-A460 PolarHBondContact O-N 3.28Å; L457-V461 WeakPolarHBondContact O-CG2 3.39Å; L457-V461 PolarHBondContact O-N 3.07Å; L457-V461 VanDerWaalsContact O-N 3.08Å |
| 458 | G | 97.1 | Very high | 92.2 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A454 L455 G456 V461 L462 | A454-G458 PolarHBondContact O-N 3.4Å; A454-G458 VanDerWaalsContact O-N 3.08Å; L455-G458 CarbonylContact O-C 3.54Å; L455-G458 WeakPolarHBondContact O-CA 3.31Å; L455-G458 PolarHBondContact O-N 3.21Å; L455-G458 VanDerWaalsContact O-N 3.09Å; G456-G458 VanDerWaalsContact C-N 3.31Å; G456-G458 PolarHBondContact O-N 2.82Å; G458-V461 PolarHBondContact O-N 2.86Å; G458-L462 WeakPolarHBondContact O-CB 3.16Å; G458-L462 PolarHBondContact O-N 3.17Å |
| 459 | G | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L396 L400 L455 G456 L457 V461 L462 G463 | L396-G459 WeakPolarHBondContact O-CA 3.38Å; L400-G459 VanDerWaalsContact CA-O 3.29Å; L400-G459 WeakPolarHBondContact CA-O 3.28Å; L400-G459 VanDerWaalsContact N-C 3.33Å; L455-G459 PolarHBondContact O-N 3.02Å; G456-G459 WeakPolarHBondContact O-CA 3.3Å; G456-G459 PolarHBondContact O-N 3.28Å; G456-G459 VanDerWaalsContact O-N 3.14Å; L457-G459 VanDerWaalsContact C-N 3.32Å; G459-V461 PolarHBondContact O-N 3.26Å; G459-L462 CarbonylContact O-C 3.52Å; G459-L462 WeakPolarHBondContact O-CA 3.28Å; G459-L462 WeakPolarHBondContact O-CB 3.5Å; G459-L462 PolarHBondContact O-N 2.91Å; G459-L462 VanDerWaalsContact O-N 3.09Å; G459-G463 PolarHBondContact O-N 2.82Å |
| 460 | A | 96.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59 | -45.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V220 G399 G456 L457 L462 G463 V464 | V220-A460 HydrophobicContact CG2-CB 4.09Å; G399-A460 WeakPolarHBondContact O-CA 3.14Å; G399-A460 PolarHBondContact O-N 3.46Å; G456-A460 PolarHBondContact O-N 3.29Å; L457-A460 PolarHBondContact O-N 3.28Å; A460-L462 VanDerWaalsContact C-N 3.3Å; A460-L462 PolarHBondContact O-N 3.42Å; A460-G463 PolarHBondContact O-N 2.9Å; A460-V464 WeakPolarHBondContact O-CG2 3.2Å; A460-V464 PolarHBondContact O-N 3.5Å |
| 461 | V | 95.6 | Very high | 89 | Confident | 92 Ų | 92 | 49.8 Ų | 49.8 | 56% | 0.558 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.9 | -41.9 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L213 L457 G458 G459 G465 | L213-V461 HydrophobicContact CD2-CG2 4.18Å; L457-V461 WeakPolarHBondContact O-CG2 3.39Å; L457-V461 PolarHBondContact O-N 3.07Å; L457-V461 VanDerWaalsContact O-N 3.08Å; G458-V461 PolarHBondContact O-N 2.86Å; G459-V461 PolarHBondContact O-N 3.26Å; V461-G465 PolarHBondContact O-N 3.31Å |
| 462 | L | 94.4 | Very high | 88 | Confident | 94 Ų | 94 | 49.6 Ų | 49.6 | 49% | 0.492 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 176.9 | -179 | 60.8 | 0 | 0 | 0 | 111.7 | L400 G458 G459 A460 G465 L466 | L400-L462 HydrophobicContact CD1-CB 4Å; L400-L462 HydrophobicContact CD1-CD2 3.88Å; L400-L462 HydrophobicContact CD1-CG 3.73Å; G458-L462 WeakPolarHBondContact O-CB 3.16Å; G458-L462 PolarHBondContact O-N 3.17Å; G459-L462 CarbonylContact O-C 3.52Å; G459-L462 WeakPolarHBondContact O-CA 3.28Å; G459-L462 WeakPolarHBondContact O-CB 3.5Å; G459-L462 PolarHBondContact O-N 2.91Å; G459-L462 VanDerWaalsContact O-N 3.09Å; A460-L462 VanDerWaalsContact C-N 3.3Å; A460-L462 PolarHBondContact O-N 3.42Å; L462-G465 CarbonylContact O-C 3.53Å; L462-G465 PolarHBondContact O-N 2.98Å; L462-G465 VanDerWaalsContact O-N 3.15Å; L462-L466 HydrophobicContact CD1-CD1 4.4Å; L462-L466 HydrophobicContact CD1-CD2 4.5Å; L462-L466 HydrophobicContact CD1-CG 4.17Å; L462-L466 HydrophobicContact CG-CD1 4.19Å; L462-L466 HydrophobicContact CG-CG 4.38Å; L462-L466 VanDerWaalsContact O-CG 3.32Å; L462-L466 WeakPolarHBondContact O-CG 3.35Å; L462-L466 PolarHBondContact O-N 2.85Å |
| 463 | G | 92.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.4 | -49.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L400 G459 A460 G465 L466 S467 | L400-G463 WeakPolarHBondContact O-CA 3.45Å; G459-G463 PolarHBondContact O-N 2.82Å; A460-G463 PolarHBondContact O-N 2.9Å; G463-G465 VanDerWaalsContact C-N 3.31Å; G463-G465 PolarHBondContact O-N 2.9Å; G463-L466 PolarHBondContact O-N 2.91Å; G463-S467 PolarHBondContact O-N 3.2Å; G463-S467 PolarHBondContact O-OG 2.6Å |
| 464 | V | 91.5 | Very high | 87.1 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | L209 A212 L213 G403 S407 A460 L466 S467 | L209-V464 HydrophobicContact CD1-CG1 3.18Å; A212-V464 HydrophobicContact CB-CG1 4.48Å; A212-V464 HydrophobicContact CB-CG2 4.4Å; L213-V464 HydrophobicContact CD2-CB 3.93Å; L213-V464 HydrophobicContact CD2-CG1 3.95Å; L213-V464 HydrophobicContact CD2-CG2 4Å; L213-V464 HydrophobicContact CG-CG1 4.08Å; G403-V464 VanDerWaalsContact O-CG2 3.28Å; G403-V464 WeakPolarHBondContact O-CG2 3.31Å; S407-V464 WeakPolarHBondContact OG-CA 3.35Å; A460-V464 WeakPolarHBondContact O-CG2 3.2Å; A460-V464 PolarHBondContact O-N 3.5Å; V464-L466 PolarHBondContact O-N 3.35Å; V464-S467 PolarHBondContact O-N 3.4Å |
| 465 | G | 89 | Confident | 86.8 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V461 L462 G463 S467 L468 | V461-G465 PolarHBondContact O-N 3.31Å; L462-G465 CarbonylContact O-C 3.53Å; L462-G465 PolarHBondContact O-N 2.98Å; L462-G465 VanDerWaalsContact O-N 3.15Å; G463-G465 VanDerWaalsContact C-N 3.31Å; G463-G465 PolarHBondContact O-N 2.9Å; G465-S467 VanDerWaalsContact C-N 3.3Å; G465-L468 PolarHBondContact O-N 3.45Å |
| 466 | L | 87.3 | Confident | 86.4 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 29% | 0.293 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.5 | -29.4 | 176.8 | -69.7 | 176 | 0 | 0 | 0 | 112.1 | L400 L462 G463 V464 L468 L473 V477 | L400-L466 HydrophobicContact CD1-CD1 4.1Å; L462-L466 HydrophobicContact CD1-CD1 4.4Å; L462-L466 HydrophobicContact CD1-CD2 4.5Å; L462-L466 HydrophobicContact CD1-CG 4.17Å; L462-L466 HydrophobicContact CG-CD1 4.19Å; L462-L466 HydrophobicContact CG-CG 4.38Å; L462-L466 VanDerWaalsContact O-CG 3.32Å; L462-L466 WeakPolarHBondContact O-CG 3.35Å; L462-L466 PolarHBondContact O-N 2.85Å; G463-L466 PolarHBondContact O-N 2.91Å; V464-L466 PolarHBondContact O-N 3.35Å; L466-L468 PolarHBondContact O-N 2.04Å; L466-L473 HydrophobicContact CB-CB 4.47Å; L466-L473 HydrophobicContact CB-CD1 4.45Å; L466-L473 HydrophobicContact CD2-CD1 4.05Å; L466-V477 HydrophobicContact CD1-CG2 3.85Å |
| 467 | S | 82.9 | Confident | 86.2 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -9.9 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 114.1 | S407 G463 V464 G465 T474 | S407-S467 VanDerWaalsContact CB-CB 3.48Å; G463-S467 PolarHBondContact O-N 3.2Å; G463-S467 PolarHBondContact O-OG 2.6Å; V464-S467 PolarHBondContact O-N 3.4Å; G465-S467 VanDerWaalsContact C-N 3.3Å; S467-T474 PolarHBondContact OG-OG1 3.37Å |
| 468 | L | 79 | Confident | 86 | Confident | 115 Ų | 115 | 48.5 Ų | 48.5 | 60% | 0.602 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -8 | 177.7 | -65.4 | 174.4 | 0 | 0 | 0 | 114.2 | L209 G465 L466 | L209-L468 HydrophobicContact CD1-CD1 3.95Å; L209-L468 HydrophobicContact CD1-CD2 4.19Å; L209-L468 HydrophobicContact CD1-CG 4.4Å; L209-L468 HydrophobicContact CD2-CD1 4.04Å; G465-L468 PolarHBondContact O-N 3.45Å; L466-L468 PolarHBondContact O-N 2.04Å |
| 469 | G | 68.3 | Low | 85.8 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -70.8 | 159 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V471 | G469-V471 PolarHBondContact O-N 2.92Š|
| 470 | P | 61.5 | Low | 85.7 | Confident | 141 Ų | 141 | 48.6 Ų | 48.6 | 92% | 0.916 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -68.3 | -12.3 | 173.4 | 29.1 | -34.9 | 0 | 0 | 0 | 113.2 | ||
| 471 | V | 72.6 | Confident | 85.6 | Confident | 84 Ų | 84 | 48.4 Ų | 48.4 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -106.7 | 131.2 | 175.7 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | G469 L473 | G469-V471 PolarHBondContact O-N 2.92Å; V471-L473 HydrophobicContact CG1-CD2 4.16Å; V471-L473 PolarHBondContact O-N 2.9Å |
| 472 | P | 72.1 | Confident | 85.7 | Confident | 88 Ų | 88 | 44.1 Ų | 44.1 | 57% | 0.571 | 27% | 0.265 | S | S | * | . | trans | -69.4 | 96.3 | 177.4 | 28.1 | -33.5 | 0 | 0 | 0 | 110 | P475 | P472-P475 WeakPolarHBondContact O-CD 3.31Š| ||
| 473 | L | 83.5 | Confident | 85.7 | Confident | 61 Ų | 61 | 39.6 Ų | 39.6 | 32% | 0.319 | 24% | 0.242 | S | C | . | . | trans | -86.9 | -16.4 | 178.5 | -65.8 | -178.7 | 0 | 0 | 0 | 113 | L466 V471 P475 W476 V477 | L466-L473 HydrophobicContact CB-CB 4.47Å; L466-L473 HydrophobicContact CB-CD1 4.45Å; L466-L473 HydrophobicContact CD2-CD1 4.05Å; V471-L473 HydrophobicContact CG1-CD2 4.16Å; V471-L473 PolarHBondContact O-N 2.9Å; L473-P475 VanDerWaalsContact C-CD 3.48Å; L473-W476 WeakPolarHBondContact O-CB 3.26Å; L473-W476 PolarHBondContact O-N 3.46Å; L473-V477 PolarHBondContact O-N 3.4Å | ||
| 474 | T | 84.6 | Confident | 85.8 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -48.7 | -47.6 | 178.8 | -40 | 0 | 0 | 0 | 0 | 113.1 | A404 S467 W476 V477 F478 | A404-T474 HydrophobicContact CB-CG2 3.86Å; S467-T474 PolarHBondContact OG-OG1 3.37Å; T474-W476 VanDerWaalsContact C-N 3.31Å; T474-W476 PolarHBondContact O-N 3.03Å; T474-V477 WeakPolarHBondContact O-CB 3.49Å; T474-V477 PolarHBondContact O-N 3.26Å; T474-V477 VanDerWaalsContact O-N 3.15Å; T474-F478 HydrophobicContact CG2-CD2 4.15Å; T474-F478 HydrophobicContact CG2-CE2 3.55Å; T474-F478 HydrophobicContact CG2-CZ 3.86Å; T474-F478 WeakPolarHBondContact O-CD2 3.47Å; T474-F478 PolarHBondContact O-N 3.34Å |
| 475 | P | 86.6 | Confident | 85.9 | Confident | 10 Ų | 10 | 39.8 Ų | 39.8 | 7% | 0.065 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.8 | -31.9 | -179.7 | -19.9 | 34.3 | 0 | 0 | 0 | 113.1 | A269 P472 L473 G479 | A269-P475 VanDerWaalsContact CB-O 3.26Å; A269-P475 WeakPolarHBondContact CB-O 3.31Å; A269-P475 WeakPolarHBondContact O-CB 3.29Å; P472-P475 WeakPolarHBondContact O-CD 3.31Å; L473-P475 VanDerWaalsContact C-CD 3.48Å; P475-G479 PolarHBondContact O-N 2.89Å |
| 476 | W | 89 | Confident | 86.2 | Confident | 96 Ų | 96 | 39 Ų | 39 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.6 | -39.9 | 174.2 | -66.2 | 95.3 | 0 | 0 | 0 | 111.7 | R273 L473 T474 G479 V480 | R273-W476 VanDerWaalsContact CZ-CZ2 3.44Å; L473-W476 WeakPolarHBondContact O-CB 3.26Å; L473-W476 PolarHBondContact O-N 3.46Å; T474-W476 VanDerWaalsContact C-N 3.31Å; T474-W476 PolarHBondContact O-N 3.03Å; W476-G479 PolarHBondContact O-N 3.12Å; W476-V480 WeakPolarHBondContact O-CB 3.37Å; W476-V480 WeakPolarHBondContact O-CG2 3.38Å; W476-V480 PolarHBondContact O-N 3.25Å |
| 477 | V | 91.9 | Very high | 86.5 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -50.7 | 175.3 | 168.5 | 0 | 0 | 0 | 0 | 109.9 | L400 A404 L466 L473 T474 G479 V480 T481 | L400-V477 HydrophobicContact CD2-CG1 3.84Å; L400-V477 HydrophobicContact CG-CG1 3.65Å; A404-V477 HydrophobicContact CB-CB 4.38Å; A404-V477 HydrophobicContact CB-CG1 3.87Å; L466-V477 HydrophobicContact CD1-CG2 3.85Å; L473-V477 PolarHBondContact O-N 3.4Å; T474-V477 WeakPolarHBondContact O-CB 3.49Å; T474-V477 PolarHBondContact O-N 3.26Å; T474-V477 VanDerWaalsContact O-N 3.15Å; V477-G479 PolarHBondContact O-N 3.28Å; V477-V480 PolarHBondContact O-N 3.23Å; V477-T481 WeakPolarHBondContact O-CB 3.23Å; V477-T481 PolarHBondContact O-N 3.39Å; V477-T481 PolarHBondContact O-OG1 2.82Å |
| 478 | F | 92.7 | Very high | 86.8 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 178 | -67.2 | -38.2 | 0 | 0 | 0 | 113 | L265 H268 A269 A401 A404 A405 T474 T481 A482 | L265-F478 HydrophobicContact CD2-CD1 3.84Å; L265-F478 HydrophobicContact CD2-CE1 4.35Å; L265-F478 HydrophobicContact CD2-CG 4.45Å; H268-F478 HydrophobicContact CB-CD2 3.61Å; H268-F478 HydrophobicContact CB-CE2 3.87Å; H268-F478 HydrophobicContact CB-CG 4.27Å; A269-F478 HydrophobicContact CB-CB 4.12Å; A401-F478 HydrophobicContact CB-CD1 4.35Å; A401-F478 HydrophobicContact CB-CE1 4.42Å; A404-F478 HydrophobicContact CB-CE1 4.2Å; A404-F478 HydrophobicContact CB-CZ 4.45Å; A405-F478 HydrophobicContact CB-CE1 4Å; A405-F478 HydrophobicContact CB-CZ 3.8Å; T474-F478 HydrophobicContact CG2-CD2 4.15Å; T474-F478 HydrophobicContact CG2-CE2 3.55Å; T474-F478 HydrophobicContact CG2-CZ 3.86Å; T474-F478 WeakPolarHBondContact O-CD2 3.47Å; T474-F478 PolarHBondContact O-N 3.34Å; F478-T481 PolarHBondContact O-N 3.19Å; F478-A482 WeakPolarHBondContact O-CB 3.38Å; F478-A482 PolarHBondContact O-N 3.46Å |
| 479 | G | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -42.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S290 V291 P475 W476 V477 A482 G483 | S290-G479 WeakPolarHBondContact OG-CA 3.33Å; V291-G479 WeakPolarHBondContact CA-O 3.29Å; V291-G479 WeakPolarHBondContact CG2-O 3.35Å; V291-G479 PolarHBondContact N-O 3.19Å; P475-G479 PolarHBondContact O-N 2.89Å; W476-G479 PolarHBondContact O-N 3.12Å; V477-G479 PolarHBondContact O-N 3.28Å; G479-A482 PolarHBondContact O-N 3.48Å; G479-G483 PolarHBondContact O-N 2.9Å |
| 480 | V | 94.2 | Very high | 88.6 | Confident | 40 Ų | 40 | 33 Ų | 33 | 24% | 0.242 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 174.2 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | G294 L297 W476 V477 A482 G483 V484 | G294-V480 WeakPolarHBondContact CA-O 3.44Å; L297-V480 HydrophobicContact CD2-CG1 4.29Å; W476-V480 WeakPolarHBondContact O-CB 3.37Å; W476-V480 WeakPolarHBondContact O-CG2 3.38Å; W476-V480 PolarHBondContact O-N 3.25Å; V477-V480 PolarHBondContact O-N 3.23Å; V480-A482 PolarHBondContact O-N 2.9Å; V480-G483 PolarHBondContact O-N 3.04Å; V480-G483 VanDerWaalsContact O-N 3.14Å; V480-V484 WeakPolarHBondContact O-CG2 3.33Å; V480-V484 PolarHBondContact O-N 2.96Å |
| 481 | T | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 178 | -60.5 | 0 | 0 | 0 | 0 | 112 | L265 A401 V477 F478 G483 V484 F485 | L265-T481 HydrophobicContact CD1-CG2 3.79Å; A401-T481 HydrophobicContact CB-CG2 3.96Å; V477-T481 WeakPolarHBondContact O-CB 3.23Å; V477-T481 PolarHBondContact O-N 3.39Å; V477-T481 PolarHBondContact O-OG1 2.82Å; F478-T481 PolarHBondContact O-N 3.19Å; T481-G483 VanDerWaalsContact C-N 3.26Å; T481-G483 PolarHBondContact O-N 3.41Å; T481-V484 WeakPolarHBondContact O-CB 2.97Å; T481-V484 PolarHBondContact O-N 2.95Å; T481-V484 VanDerWaalsContact O-N 3.09Å; T481-F485 HydrophobicContact CG2-CD1 4Å; T481-F485 HydrophobicContact CG2-CD2 4.34Å; T481-F485 HydrophobicContact CG2-CE1 3.47Å; T481-F485 VanDerWaalsContact CG2-CE1 3.47Å; T481-F485 HydrophobicContact CG2-CE2 3.87Å; T481-F485 HydrophobicContact CG2-CG 4.41Å; T481-F485 HydrophobicContact CG2-CZ 3.4Å; T481-F485 WeakPolarHBondContact O-CD1 3.48Å; T481-F485 WeakPolarHBondContact O-CG 3.42Å; T481-F485 PolarHBondContact O-N 3.01Å |
| 482 | A | 95.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.2 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A261 L265 V291 F478 G479 V480 F485 L486 | A261-A482 HydrophobicContact CB-CB 4.02Å; A261-A482 WeakPolarHBondContact CB-O 3.3Å; L265-A482 HydrophobicContact CB-CB 3.9Å; L265-A482 HydrophobicContact CD1-CB 4.33Å; V291-A482 HydrophobicContact CG2-CB 4.18Å; F478-A482 WeakPolarHBondContact O-CB 3.38Å; F478-A482 PolarHBondContact O-N 3.46Å; G479-A482 PolarHBondContact O-N 3.48Å; V480-A482 PolarHBondContact O-N 2.9Å; A482-F485 PolarHBondContact O-N 3.05Å; A482-L486 WeakPolarHBondContact O-CG 3.44Å; A482-L486 PolarHBondContact O-N 3.06Å |
| 483 | G | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V291 L295 G479 V480 T481 Y487 | V291-G483 WeakPolarHBondContact O-CA 3.15Å; L295-G483 WeakPolarHBondContact CD1-O 3.32Å; L295-G483 WeakPolarHBondContact CG-O 3.19Å; G479-G483 PolarHBondContact O-N 2.9Å; V480-G483 PolarHBondContact O-N 3.04Å; V480-G483 VanDerWaalsContact O-N 3.14Å; T481-G483 VanDerWaalsContact C-N 3.26Å; T481-G483 PolarHBondContact O-N 3.41Å; G483-Y487 PolarHBondContact O-N 3.49Å; G483-Y487 VanDerWaalsContact O-N 3.08Å |
| 484 | V | 94.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 173.7 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | L298 T397 V480 T481 L486 Y487 V488 | L298-V484 HydrophobicContact CD1-CB 4.04Å; L298-V484 HydrophobicContact CD1-CG1 3.45Å; L298-V484 VanDerWaalsContact CD1-CG1 3.45Å; L298-V484 HydrophobicContact CD1-CG2 4.28Å; L298-V484 HydrophobicContact CG-CB 4.48Å; L298-V484 HydrophobicContact CG-CG1 4.04Å; L298-V484 HydrophobicContact CG-CG2 4.18Å; T397-V484 HydrophobicContact CG2-CG1 4.04Å; T397-V484 HydrophobicContact CG2-CG2 4.3Å; V480-V484 WeakPolarHBondContact O-CG2 3.33Å; V480-V484 PolarHBondContact O-N 2.96Å; T481-V484 WeakPolarHBondContact O-CB 2.97Å; T481-V484 PolarHBondContact O-N 2.95Å; T481-V484 VanDerWaalsContact O-N 3.09Å; V484-L486 PolarHBondContact O-N 3.35Å; V484-Y487 WeakPolarHBondContact O-CB 3.47Å; V484-Y487 PolarHBondContact O-N 3.43Å; V484-Y487 VanDerWaalsContact O-N 3.11Å; V484-V488 WeakPolarHBondContact O-CG2 3.44Å; V484-V488 PolarHBondContact O-N 2.91Å |
| 485 | F | 94.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 179.2 | -71 | 0.7 | 0 | 0 | 0 | 112.6 | L257 D260 A261 L265 D398 H423 T481 A482 Y487 V488 A489 | L257-F485 HydrophobicContact CD2-CB 4.3Å; L257-F485 HydrophobicContact CD2-CD1 4.37Å; L257-F485 HydrophobicContact CD2-CG 4.17Å; D260-F485 HydrophobicContact CB-CD2 4.2Å; D260-F485 HydrophobicContact CB-CE2 4.44Å; D260-F485 WeakPolarHBondContact OD2-CE2 2.96Å; A261-F485 HydrophobicContact CB-CB 4.03Å; L265-F485 HydrophobicContact CD1-CD2 3.68Å; L265-F485 HydrophobicContact CD1-CE2 3.5Å; L265-F485 HydrophobicContact CD1-CZ 4.36Å; D398-F485 WeakPolarHBondContact OD1-CE1 3.34Å; D398-F485 WeakPolarHBondContact OD1-CZ 3.03Å; H423-F485 AromaticContact CE1-CE2 3.7Å; H423-F485 AromaticContact CE1-CZ 3.97Å; T481-F485 HydrophobicContact CG2-CD1 4Å; T481-F485 HydrophobicContact CG2-CD2 4.34Å; T481-F485 HydrophobicContact CG2-CE1 3.47Å; T481-F485 VanDerWaalsContact CG2-CE1 3.47Å; T481-F485 HydrophobicContact CG2-CE2 3.87Å; T481-F485 HydrophobicContact CG2-CG 4.41Å; T481-F485 HydrophobicContact CG2-CZ 3.4Å; T481-F485 WeakPolarHBondContact O-CD1 3.48Å; T481-F485 WeakPolarHBondContact O-CG 3.42Å; T481-F485 PolarHBondContact O-N 3.01Å; A482-F485 PolarHBondContact O-N 3.05Å; F485-Y487 VanDerWaalsContact C-N 3.33Å; F485-Y487 PolarHBondContact O-N 3.35Å; F485-V488 PolarHBondContact O-N 2.9Å; F485-A489 VanDerWaalsContact O-CB 3.22Å; F485-A489 WeakPolarHBondContact O-CB 3.27Å; F485-A489 PolarHBondContact O-N 3.34Å |
| 486 | L | 95.4 | Very high | 90.8 | Very high | 23 Ų | 23 | 28.9 Ų | 28.9 | 12% | 0.12 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -40.6 | 173.2 | -77.4 | 170.1 | 0 | 0 | 0 | 112.2 | A261 L262 V291 L295 A482 V484 L490 | A261-L486 HydrophobicContact CB-CD1 4.35Å; A261-L486 HydrophobicContact CB-CD2 4.19Å; A261-L486 HydrophobicContact CB-CG 3.73Å; L262-L486 HydrophobicContact CD1-CD2 4.41Å; L262-L486 HydrophobicContact CD2-CD1 4.13Å; L262-L486 HydrophobicContact CD2-CD2 4.44Å; L262-L486 HydrophobicContact CG-CD2 4.25Å; V291-L486 HydrophobicContact CG1-CD1 4.02Å; L295-L486 HydrophobicContact CD1-CB 4.32Å; L295-L486 HydrophobicContact CD1-CD1 4.46Å; A482-L486 WeakPolarHBondContact O-CG 3.44Å; A482-L486 PolarHBondContact O-N 3.06Å; V484-L486 PolarHBondContact O-N 3.35Å; L486-L490 HydrophobicContact CD2-CD1 4.39Å; L486-L490 VanDerWaalsContact O-CB 3.29Å; L486-L490 WeakPolarHBondContact O-CB 3.38Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.27Å; L486-L490 PolarHBondContact O-N 3.43Å |
| 487 | Y | 93.1 | Very high | 90.2 | Very high | 20 Ų | 20 | 25.3 Ų | 25.3 | 8% | 0.078 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.6 | -52.9 | 176.5 | -171.8 | -81 | 0 | 0 | 0 | 110.9 | L298 F299 E302 G483 V484 F485 A489 L490 V491 | L298-Y487 HydrophobicContact CB-CD1 3.86Å; L298-Y487 HydrophobicContact CB-CD2 4.32Å; L298-Y487 HydrophobicContact CB-CE1 4.21Å; L298-Y487 HydrophobicContact CB-CG 3.91Å; L298-Y487 HydrophobicContact CD1-CD1 3.73Å; L298-Y487 HydrophobicContact CD1-CG 4.04Å; L298-Y487 HydrophobicContact CG-CD1 4.44Å; F299-Y487 HydrophobicContact CB-CE2 3.83Å; F299-Y487 HydrophobicContact CD2-CE2 4.49Å; E302-Y487 WeakPolarHBondContact OE2-CE1 3.49Å; E302-Y487 PolarHBondContact OE2-OH 2.94Å; G483-Y487 PolarHBondContact O-N 3.49Å; G483-Y487 VanDerWaalsContact O-N 3.08Å; V484-Y487 WeakPolarHBondContact O-CB 3.47Å; V484-Y487 PolarHBondContact O-N 3.43Å; V484-Y487 VanDerWaalsContact O-N 3.11Å; F485-Y487 VanDerWaalsContact C-N 3.33Å; F485-Y487 PolarHBondContact O-N 3.35Å; Y487-A489 VanDerWaalsContact C-N 3.33Å; Y487-A489 PolarHBondContact O-N 3.42Å; Y487-L490 PolarHBondContact O-N 2.85Å; Y487-V491 HydrophobicContact CD1-CB 4.13Å; Y487-V491 HydrophobicContact CD1-CG2 4.36Å; Y487-V491 HydrophobicContact CD2-CG2 3.95Å; Y487-V491 HydrophobicContact CE1-CB 3.99Å; Y487-V491 HydrophobicContact CE1-CG1 3.98Å; Y487-V491 HydrophobicContact CE1-CG2 4.38Å; Y487-V491 HydrophobicContact CE2-CB 4.4Å; Y487-V491 HydrophobicContact CE2-CG1 4.4Å; Y487-V491 HydrophobicContact CE2-CG2 3.94Å; Y487-V491 HydrophobicContact CG-CB 4.43Å; Y487-V491 HydrophobicContact CG-CG2 4.16Å; Y487-V491 WeakPolarHBondContact O-CA 3.42Å; Y487-V491 WeakPolarHBondContact O-CB 3.5Å; Y487-V491 PolarHBondContact O-N 3.39Å |
| 488 | V | 90.4 | Very high | 89.6 | Confident | 10 Ų | 10 | 30.6 Ų | 30.6 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -58.2 | -45.6 | 179.4 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | L257 L298 V484 F485 D492 M493 | L257-V488 HydrophobicContact CD1-CG1 4.15Å; L298-V488 HydrophobicContact CD1-CG2 3.79Å; V484-V488 WeakPolarHBondContact O-CG2 3.44Å; V484-V488 PolarHBondContact O-N 2.91Å; F485-V488 PolarHBondContact O-N 2.9Å; V488-D492 WeakPolarHBondContact O-CB 3.35Å; V488-D492 PolarHBondContact O-N 3.38Å; V488-M493 PolarHBondContact O-N 3.14Å |
| 489 | A | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -63 | -47.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V254 L257 F485 Y487 L494 | V254-A489 HydrophobicContact CG1-CB 4.43Å; L257-A489 HydrophobicContact CB-CB 3.72Å; L257-A489 HydrophobicContact CD1-CB 4.22Å; F485-A489 VanDerWaalsContact O-CB 3.22Å; F485-A489 WeakPolarHBondContact O-CB 3.27Å; F485-A489 PolarHBondContact O-N 3.34Å; Y487-A489 VanDerWaalsContact C-N 3.33Å; Y487-A489 PolarHBondContact O-N 3.42Å; A489-L494 VanDerWaalsContact O-CB 3.29Å; A489-L494 WeakPolarHBondContact O-CB 3.46Å; A489-L494 PolarHBondContact O-N 3.05Å |
| 490 | L | 92.6 | Very high | 86.9 | Confident | 84 Ų | 84 | 43.6 Ų | 43.6 | 44% | 0.44 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -91.2 | -30.8 | -169.5 | -61.5 | 178.7 | 0 | 0 | 0 | 113.8 | L486 Y487 L494 P495 | L486-L490 HydrophobicContact CD2-CD1 4.39Å; L486-L490 VanDerWaalsContact O-CB 3.29Å; L486-L490 WeakPolarHBondContact O-CB 3.38Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.27Å; L486-L490 PolarHBondContact O-N 3.43Å; Y487-L490 PolarHBondContact O-N 2.85Å; L490-L494 HydrophobicContact CD2-CD2 3.92Å; L490-P495 WeakPolarHBondContact O-CD 3.44Å |
| 491 | V | 88.6 | Confident | 85.2 | Confident | 71 Ų | 71 | 46.2 Ų | 46.2 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -95.8 | -42 | -176.4 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | Y487 P495 | Y487-V491 HydrophobicContact CD1-CB 4.13Å; Y487-V491 HydrophobicContact CD1-CG2 4.36Å; Y487-V491 HydrophobicContact CD2-CG2 3.95Å; Y487-V491 HydrophobicContact CE1-CB 3.99Å; Y487-V491 HydrophobicContact CE1-CG1 3.98Å; Y487-V491 HydrophobicContact CE1-CG2 4.38Å; Y487-V491 HydrophobicContact CE2-CB 4.4Å; Y487-V491 HydrophobicContact CE2-CG1 4.4Å; Y487-V491 HydrophobicContact CE2-CG2 3.94Å; Y487-V491 HydrophobicContact CG-CB 4.43Å; Y487-V491 HydrophobicContact CG-CG2 4.16Å; Y487-V491 WeakPolarHBondContact O-CA 3.42Å; Y487-V491 WeakPolarHBondContact O-CB 3.5Å; Y487-V491 PolarHBondContact O-N 3.39Å; V491-P495 WeakPolarHBondContact O-CD 3.48Å; V491-P495 VanDerWaalsContact O-CG 3.28Å; V491-P495 WeakPolarHBondContact O-CG 3.26Å |
| 492 | D | 82.6 | Confident | 83.2 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 35% | 0.353 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -91.4 | -53.3 | -175.1 | -60.9 | -29.9 | 0 | 0 | 0 | 111.8 | V488 | V488-D492 WeakPolarHBondContact O-CB 3.35Å; V488-D492 PolarHBondContact O-N 3.38Å |
| 493 | M | 84.6 | Confident | 81.5 | Confident | 23 Ų | 23 | 59 Ų | 59 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -83.3 | -50.5 | -170.5 | -76 | -99.5 | 138.1 | 0 | 0 | 113.4 | A253 V254 H427 V488 A496 L497 | A253-M493 HydrophobicContact CB-SD 4.37Å; V254-M493 HydrophobicContact CG2-CB 3.5Å; V254-M493 VanDerWaalsContact CG2-CB 3.5Å; H427-M493 VanDerWaalsContact CD2-CE 3.45Å; H427-M493 WeakPolarHBondContact CD2-CE 3.31Å; V488-M493 PolarHBondContact O-N 3.14Å; M493-A496 WeakPolarHBondContact O-CB 3.46Å; M493-A496 PolarHBondContact O-N 3.15Å; M493-A496 VanDerWaalsContact O-N 3.09Å; M493-L497 PolarHBondContact O-N 3.27Å |
| 494 | L | 88.2 | Confident | 79.6 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 23% | 0.23 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.3 | -42.6 | -174.5 | -178.2 | 63.1 | 0 | 0 | 0 | 113.8 | V254 A489 L490 A496 L497 L498 | V254-L494 HydrophobicContact CG1-CB 4.38Å; V254-L494 HydrophobicContact CG1-CD1 4.37Å; V254-L494 HydrophobicContact CG2-CB 4.39Å; A489-L494 VanDerWaalsContact O-CB 3.29Å; A489-L494 WeakPolarHBondContact O-CB 3.46Å; A489-L494 PolarHBondContact O-N 3.05Å; L490-L494 HydrophobicContact CD2-CD2 3.92Å; L494-A496 PolarHBondContact O-N 3.24Å; L494-L497 WeakPolarHBondContact O-CB 3.32Å; L494-L497 PolarHBondContact O-N 2.87Å; L494-L498 HydrophobicContact CD1-CD1 4.26Å; L494-L498 HydrophobicContact CD1-CG 4.16Å; L494-L498 HydrophobicContact CG-CD1 3.97Å; L494-L498 HydrophobicContact CG-CG 4.31Å; L494-L498 WeakPolarHBondContact O-CG 3.46Å; L494-L498 PolarHBondContact O-N 3.33Å; L494-L498 VanDerWaalsContact O-N 3.09Å |
| 495 | P | 84.9 | Confident | 78.3 | Confident | 52 Ų | 52 | 71 Ų | 71 | 34% | 0.338 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.6 | -22 | 178.8 | -24 | 38.3 | 0 | 0 | 0 | 113.8 | L490 V491 R499 | L490-P495 WeakPolarHBondContact O-CD 3.44Å; V491-P495 WeakPolarHBondContact O-CD 3.48Å; V491-P495 VanDerWaalsContact O-CG 3.28Å; V491-P495 WeakPolarHBondContact O-CG 3.26Å; P495-R499 PolarHBondContact O-NE 2.72Å; P495-R499 VanDerWaalsContact O-NE 3.15Å |
| 496 | A | 78.4 | Confident | 77.3 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.7 | -35 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M493 L494 | M493-A496 WeakPolarHBondContact O-CB 3.46Å; M493-A496 PolarHBondContact O-N 3.15Å; M493-A496 VanDerWaalsContact O-N 3.09Å; L494-A496 PolarHBondContact O-N 3.24Å |
| 497 | L | 76.9 | Confident | 76.6 | Confident | 20 Ų | 20 | 78.5 Ų | 78.5 | 11% | 0.105 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -73.3 | -35.6 | 177.6 | -62.4 | 173.2 | 0 | 0 | 0 | 113.4 | A251 V254 M493 L494 R499 Q512 | A251-L497 HydrophobicContact CB-CD1 4.02Å; V254-L497 HydrophobicContact CB-CD1 4.36Å; V254-L497 HydrophobicContact CG2-CD1 3.7Å; M493-L497 PolarHBondContact O-N 3.27Å; L494-L497 WeakPolarHBondContact O-CB 3.32Å; L494-L497 PolarHBondContact O-N 2.87Å; L497-R499 VanDerWaalsContact C-N 3.28Å; L497-R499 PolarHBondContact O-N 3.08Å; L497-Q512 PolarHBondContact O-NE2 3.11Å; L497-Q512 VanDerWaalsContact O-NE2 3.09Å |
| 498 | L | 78.8 | Confident | 76 | Confident | 122 Ų | 122 | 81.2 Ų | 81.2 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -76.5 | -10.1 | -177 | -66.8 | 176.3 | 0 | 0 | 0 | 113.7 | L494 P500 | L494-L498 HydrophobicContact CD1-CD1 4.26Å; L494-L498 HydrophobicContact CD1-CG 4.16Å; L494-L498 HydrophobicContact CG-CD1 3.97Å; L494-L498 HydrophobicContact CG-CG 4.31Å; L494-L498 WeakPolarHBondContact O-CG 3.46Å; L494-L498 PolarHBondContact O-N 3.33Å; L494-L498 VanDerWaalsContact O-N 3.09Å; L498-P500 WeakPolarHBondContact O-CD 3.36Å |
| 499 | R | 71.8 | Confident | 75.7 | Confident | 179 Ų | 179 | 85 Ų | 85 | 68% | 0.675 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -77.4 | 109.5 | 176.9 | -81.7 | -179.4 | -106 | 171.1 | -7.4 | 110.2 | P495 L497 | P495-R499 PolarHBondContact O-NE 2.72Å; P495-R499 VanDerWaalsContact O-NE 3.15Å; L497-R499 VanDerWaalsContact C-N 3.28Å; L497-R499 PolarHBondContact O-N 3.08Å |
| 500 | P | 58 | Low | 75.5 | Confident | 97 Ų | 97 | 91.4 Ų | 91.4 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | trans | -74.4 | 134 | -172.4 | 28.6 | -32.7 | 0 | 0 | 0 | 111.9 | L498 E502 | L498-P500 WeakPolarHBondContact O-CD 3.36Å; P500-E502 PolarHBondContact O-N 2.98Å | ||
| 501 | P | 57.3 | Low | 75.3 | Confident | 95 Ų | 95 | 90.2 Ų | 90.2 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | trans | -74.9 | 111.7 | 158.7 | 27.6 | -28.3 | 0 | 0 | 0 | 109.6 | ||||
| 502 | E | 54.4 | Low | 75.3 | Confident | 169 Ų | 169 | 88.9 Ų | 88.9 | 79% | 0.79 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 144.7 | 169.7 | -78.8 | -77.7 | 161.1 | 0 | 0 | 112.6 | P500 | P500-E502 PolarHBondContact O-N 2.98Š|
| 503 | P | 59.2 | Low | 75.7 | Confident | 101 Ų | 101 | 87.2 Ų | 87.2 | 66% | 0.656 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -121.2 | 115.6 | -38.4 | 29.1 | -11.3 | 0 | 0 | 0 | 111.2 | ||
| 504 | K | 56.6 | Low | 76.1 | Confident | 177 Ų | 177 | 90.9 Ų | 90.9 | 77% | 0.77 | 50% | 0.502 | S | S | * | . | trans | -178.8 | 80.4 | 150.8 | -99.6 | 165.7 | -169.8 | -177.8 | 0 | 108.5 | ||||
| 505 | P | 66.9 | Low | 76.4 | Confident | 77 Ų | 77 | 88.8 Ų | 88.8 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | trans | -88.3 | -13.4 | -156.1 | 31.5 | -34.9 | 0 | 0 | 0 | 116.3 | V509 | P505-V509 VanDerWaalsContact O-CG2 3.28Å; P505-V509 WeakPolarHBondContact O-CG2 3.36Å; P505-V509 PolarHBondContact O-N 2.85Å | ||
| 506 | T | 72.8 | Confident | 76.8 | Confident | 105 Ų | 105 | 89.4 Ų | 89.4 | 64% | 0.644 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.4 | -46.5 | -168.3 | 46 | 0 | 0 | 0 | 0 | 116.2 | H508 L510 | T506-H508 VanDerWaalsContact C-N 3.35Å; T506-H508 PolarHBondContact O-N 3.04Å; T506-L510 WeakPolarHBondContact O-CG 3.09Å; T506-L510 PolarHBondContact O-N 3.33Å |
| 507 | P | 80.4 | Confident | 77.7 | Confident | 79 Ų | 79 | 93.1 Ų | 93.1 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72 | -30.4 | -178.9 | 28.9 | -35 | 0 | 0 | 0 | 112.5 | L511 | P507-L511 VanDerWaalsContact O-CB 3.29Å; P507-L511 WeakPolarHBondContact O-CB 3.49Å; P507-L511 PolarHBondContact O-N 2.83Å |
| 508 | H | 80.7 | Confident | 78.6 | Confident | 77 Ų | 77 | 96.5 Ų | 96.5 | 36% | 0.356 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 178.2 | -75.5 | -71.4 | 0 | 0 | 0 | 112 | T506 L511 Q512 | T506-H508 VanDerWaalsContact C-N 3.35Å; T506-H508 PolarHBondContact O-N 3.04Å; H508-L511 PolarHBondContact O-N 2.76Å; H508-Q512 WeakPolarHBondContact O-CB 3.46Å; H508-Q512 WeakPolarHBondContact O-CG 3.22Å; H508-Q512 PolarHBondContact O-N 3.42Å |
| 509 | V | 83.8 | Confident | 79.3 | Confident | 90 Ų | 90 | 90.7 Ų | 90.7 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | P505 L511 Q512 G513 | P505-V509 VanDerWaalsContact O-CG2 3.28Å; P505-V509 WeakPolarHBondContact O-CG2 3.36Å; P505-V509 PolarHBondContact O-N 2.85Å; V509-L511 VanDerWaalsContact C-N 3.34Å; V509-L511 PolarHBondContact O-N 3.18Å; V509-Q512 PolarHBondContact O-N 3.32Å; V509-G513 PolarHBondContact O-N 2.88Å |
| 510 | L | 87.4 | Confident | 80.4 | Confident | 133 Ų | 133 | 83.2 Ų | 83.2 | 70% | 0.696 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.8 | -42.6 | 174.4 | -76.9 | 164.1 | 0 | 0 | 0 | 111.9 | T506 G513 L514 | T506-L510 WeakPolarHBondContact O-CG 3.09Å; T506-L510 PolarHBondContact O-N 3.33Å; L510-G513 PolarHBondContact O-N 3.33Å; L510-L514 WeakPolarHBondContact O-CB 3.31Å; L510-L514 PolarHBondContact O-N 3.22Å |
| 511 | L | 87.9 | Confident | 82.2 | Confident | 60 Ų | 60 | 80.3 Ų | 80.3 | 31% | 0.314 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 178.5 | -173.3 | 65.5 | 0 | 0 | 0 | 111.7 | P244 F248 P507 H508 V509 L514 G515 | P244-L511 HydrophobicContact CB-CD2 4.21Å; F248-L511 HydrophobicContact CB-CD1 4.45Å; F248-L511 HydrophobicContact CB-CD2 4.09Å; F248-L511 HydrophobicContact CB-CG 3.95Å; F248-L511 HydrophobicContact CD2-CD1 3.77Å; F248-L511 HydrophobicContact CD2-CG 3.97Å; F248-L511 WeakPolarHBondContact CD2-O 3.44Å; F248-L511 HydrophobicContact CE2-CD1 4.45Å; F248-L511 HydrophobicContact CG-CD1 4.35Å; F248-L511 HydrophobicContact CG-CG 4.34Å; P507-L511 VanDerWaalsContact O-CB 3.29Å; P507-L511 WeakPolarHBondContact O-CB 3.49Å; P507-L511 PolarHBondContact O-N 2.83Å; H508-L511 PolarHBondContact O-N 2.76Å; V509-L511 VanDerWaalsContact C-N 3.34Å; V509-L511 PolarHBondContact O-N 3.18Å; L511-L514 PolarHBondContact O-N 3.19Å; L511-G515 PolarHBondContact O-N 3.01Å |
| 512 | Q | 89.4 | Confident | 83.9 | Confident | 43 Ų | 43 | 79 Ų | 79 | 20% | 0.201 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.5 | -45 | 173.1 | -74.4 | 173.9 | -22.4 | 0 | 0 | 111.5 | A251 L497 H508 V509 L514 G515 L516 | A251-Q512 HydrophobicContact CB-CB 3.98Å; A251-Q512 HydrophobicContact CB-CG 4.25Å; A251-Q512 VanDerWaalsContact CB-O 3.23Å; A251-Q512 WeakPolarHBondContact CB-O 3.42Å; L497-Q512 PolarHBondContact O-NE2 3.11Å; L497-Q512 VanDerWaalsContact O-NE2 3.09Å; H508-Q512 WeakPolarHBondContact O-CB 3.46Å; H508-Q512 WeakPolarHBondContact O-CG 3.22Å; H508-Q512 PolarHBondContact O-N 3.42Å; V509-Q512 PolarHBondContact O-N 3.32Å; Q512-L514 VanDerWaalsContact C-N 3.28Å; Q512-L514 PolarHBondContact O-N 3.01Å; Q512-G515 PolarHBondContact O-N 3.29Å; Q512-G515 VanDerWaalsContact O-N 3.09Å; Q512-L516 PolarHBondContact O-N 3.01Å |
| 513 | G | 91.1 | Very high | 85.8 | Confident | 30 Ų | 30 | 71 Ų | 71 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V509 L510 L516 L517 | V509-G513 PolarHBondContact O-N 2.88Å; L510-G513 PolarHBondContact O-N 3.33Å; G513-L516 PolarHBondContact O-N 3.11Å; G513-L517 WeakPolarHBondContact O-CB 3.25Å; G513-L517 WeakPolarHBondContact O-CG 3.37Å; G513-L517 PolarHBondContact O-N 3.16Å |
| 514 | L | 93.5 | Very high | 87.4 | Confident | 101 Ų | 101 | 70.1 Ų | 70.1 | 53% | 0.529 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 173.4 | -177.5 | 64.5 | 0 | 0 | 0 | 112 | L510 L511 Q512 L517 L518 | L510-L514 WeakPolarHBondContact O-CB 3.31Å; L510-L514 PolarHBondContact O-N 3.22Å; L511-L514 PolarHBondContact O-N 3.19Å; Q512-L514 VanDerWaalsContact C-N 3.28Å; Q512-L514 PolarHBondContact O-N 3.01Å; L514-L517 PolarHBondContact O-N 3.45Å; L514-L518 WeakPolarHBondContact O-CB 3.29Å; L514-L518 PolarHBondContact O-N 2.98Å |
| 515 | G | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.8 | -50.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L252 L511 Q512 L517 L518 G519 | L252-G515 WeakPolarHBondContact CA-O 3.33Å; L252-G515 WeakPolarHBondContact CD1-O 3.41Å; L511-G515 PolarHBondContact O-N 3.01Å; Q512-G515 PolarHBondContact O-N 3.29Å; Q512-G515 VanDerWaalsContact O-N 3.09Å; G515-L517 PolarHBondContact O-N 3.16Å; G515-L518 PolarHBondContact O-N 2.95Å; G515-G519 PolarHBondContact O-N 3.37Å |
| 516 | L | 94.3 | Very high | 90 | Very high | 64 Ų | 64 | 60.9 Ų | 60.9 | 34% | 0.335 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.9 | -48.7 | 176.5 | -77 | 163.8 | 0 | 0 | 0 | 112.1 | A251 V254 Q512 G513 G519 G520 | A251-L516 HydrophobicContact CB-CG 4.14Å; A251-L516 WeakPolarHBondContact O-CA 3.45Å; A251-L516 WeakPolarHBondContact O-CD2 3.28Å; A251-L516 PolarHBondContact O-N 3.49Å; V254-L516 HydrophobicContact CB-CD2 3.73Å; V254-L516 HydrophobicContact CG1-CD2 3.57Å; Q512-L516 PolarHBondContact O-N 3.01Å; G513-L516 PolarHBondContact O-N 3.11Å; L516-G519 PolarHBondContact O-N 3.32Å; L516-G520 PolarHBondContact O-N 3.46Å |
| 517 | L | 95.7 | Very high | 90.7 | Very high | 136 Ų | 136 | 57.2 Ų | 57.2 | 71% | 0.712 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.8 | -40.7 | 179.6 | -72.8 | 173 | 0 | 0 | 0 | 112.3 | G513 L514 G515 G519 G521 | G513-L517 WeakPolarHBondContact O-CB 3.25Å; G513-L517 WeakPolarHBondContact O-CG 3.37Å; G513-L517 PolarHBondContact O-N 3.16Å; L514-L517 PolarHBondContact O-N 3.45Å; G515-L517 PolarHBondContact O-N 3.16Å; L517-G519 VanDerWaalsContact C-N 3.31Å; L517-G521 PolarHBondContact O-N 2.81Å |
| 518 | L | 95.9 | Very high | 90.9 | Very high | 91 Ų | 91 | 59.4 Ų | 59.4 | 48% | 0.476 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 176.5 | -177.3 | 66 | 0 | 0 | 0 | 110.7 | F248 L252 L514 G515 G521 L522 | F248-L518 HydrophobicContact CZ-CD2 3.89Å; L252-L518 HydrophobicContact CD1-CB 3.96Å; L252-L518 HydrophobicContact CD1-CD2 3.95Å; L252-L518 HydrophobicContact CD1-CG 3.92Å; L514-L518 WeakPolarHBondContact O-CB 3.29Å; L514-L518 PolarHBondContact O-N 2.98Å; G515-L518 PolarHBondContact O-N 2.95Å; L518-G521 PolarHBondContact O-N 2.99Å; L518-L522 VanDerWaalsContact O-CB 3.26Å; L518-L522 WeakPolarHBondContact O-CB 3.34Å; L518-L522 PolarHBondContact O-N 2.83Å |
| 519 | G | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.2 | -50.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T256 G515 L516 L517 G521 L522 M523 | T256-G519 VanDerWaalsContact CG2-CA 3.41Å; G515-G519 PolarHBondContact O-N 3.37Å; L516-G519 PolarHBondContact O-N 3.32Å; L517-G519 VanDerWaalsContact C-N 3.31Å; G519-G521 VanDerWaalsContact C-N 3.31Å; G519-G521 PolarHBondContact O-N 2.94Å; G519-L522 PolarHBondContact O-N 2.85Å; G519-M523 PolarHBondContact O-N 3.01Å |
| 520 | G | 94.9 | Very high | 90.9 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 23% | 0.227 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G255 L516 M523 L524 | G255-G520 PolarHBondContact O-N 2.97Å; L516-G520 PolarHBondContact O-N 3.46Å; G520-M523 PolarHBondContact O-N 3.38Å; G520-L524 WeakPolarHBondContact O-CB 3.39Å; G520-L524 PolarHBondContact O-N 2.93Å |
| 521 | G | 95.3 | Very high | 89.9 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 38% | 0.381 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.9 | -36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L517 L518 G519 L524 A525 | L517-G521 PolarHBondContact O-N 2.81Å; L518-G521 PolarHBondContact O-N 2.99Å; G519-G521 VanDerWaalsContact C-N 3.31Å; G519-G521 PolarHBondContact O-N 2.94Å; G521-L524 PolarHBondContact O-N 2.99Å; G521-A525 WeakPolarHBondContact O-CB 3.45Å; G521-A525 PolarHBondContact O-N 3.02Å |
| 522 | L | 93.3 | Very high | 89 | Confident | 68 Ų | 68 | 66.3 Ų | 66.3 | 36% | 0.356 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 174.2 | -179.1 | 59.2 | 0 | 0 | 0 | 110.9 | T256 C422 L518 G519 A525 I526 | T256-L522 HydrophobicContact CG2-CD2 4.41Å; C422-L522 HydrophobicContact CB-CD2 3.77Å; C422-L522 HydrophobicContact CB-CG 4.47Å; C422-L522 WeakPolarHBondContact SG-CD2 3.41Å; L518-L522 VanDerWaalsContact O-CB 3.26Å; L518-L522 WeakPolarHBondContact O-CB 3.34Å; L518-L522 PolarHBondContact O-N 2.83Å; G519-L522 PolarHBondContact O-N 2.85Å; L522-A525 WeakPolarHBondContact O-CB 3.29Å; L522-A525 PolarHBondContact O-N 3.36Å; L522-I526 HydrophobicContact CG-CD1 4.42Å; L522-I526 WeakPolarHBondContact O-CG1 3.45Å; L522-I526 PolarHBondContact O-N 2.94Å |
| 523 | M | 93.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 175.5 | -69.7 | -45.7 | -52.6 | 0 | 0 | 112.8 | T256 D260 H264 A419 C422 G519 G520 A525 I526 A527 | T256-M523 HydrophobicContact CG2-CG 4.33Å; T256-M523 VanDerWaalsContact O-CG 3.3Å; T256-M523 WeakPolarHBondContact O-CG 3.4Å; D260-M523 HydrophobicContact CB-CE 3.73Å; D260-M523 HydrophobicContact CB-SD 4.34Å; H264-M523 HydrophobicContact CB-CE 4.15Å; A419-M523 HydrophobicContact CB-CE 3.36Å; A419-M523 HydrophobicContact CB-SD 4.3Å; C422-M523 HydrophobicContact CB-SD 4.49Å; G519-M523 PolarHBondContact O-N 3.01Å; G520-M523 PolarHBondContact O-N 3.38Å; M523-A525 VanDerWaalsContact C-N 3.28Å; M523-A525 PolarHBondContact O-N 2.96Å; M523-I526 HydrophobicContact CE-CD1 4.29Å; M523-I526 PolarHBondContact O-N 3.45Å; M523-I526 HydrophobicContact SD-CD1 4.01Å; M523-A527 WeakPolarHBondContact O-CB 3.49Å; M523-A527 PolarHBondContact O-N 2.95Å |
| 524 | L | 91.9 | Very high | 86.1 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 43% | 0.429 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 172.6 | -179.8 | 62.3 | 0 | 0 | 0 | 111.4 | L263 G520 G521 A527 L528 | L263-L524 HydrophobicContact CD1-CB 3.99Å; L263-L524 HydrophobicContact CD1-CD1 4.32Å; G520-L524 WeakPolarHBondContact O-CB 3.39Å; G520-L524 PolarHBondContact O-N 2.93Å; G521-L524 PolarHBondContact O-N 2.99Å; L524-A527 PolarHBondContact O-N 3.24Å; L524-L528 HydrophobicContact CD1-CD1 4.16Å; L524-L528 HydrophobicContact CD1-CG 4.24Å; L524-L528 HydrophobicContact CG-CD1 4.05Å; L524-L528 WeakPolarHBondContact O-CB 3.43Å; L524-L528 VanDerWaalsContact O-CG 3.25Å; L524-L528 WeakPolarHBondContact O-CG 3.36Å; L524-L528 PolarHBondContact O-N 2.83Å |
| 525 | A | 90.8 | Very high | 84 | Confident | 43 Ų | 43 | 69.7 Ų | 69.7 | 36% | 0.355 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G521 L522 M523 L528 L529 | G521-A525 WeakPolarHBondContact O-CB 3.45Å; G521-A525 PolarHBondContact O-N 3.02Å; L522-A525 WeakPolarHBondContact O-CB 3.29Å; L522-A525 PolarHBondContact O-N 3.36Å; M523-A525 VanDerWaalsContact C-N 3.28Å; M523-A525 PolarHBondContact O-N 2.96Å; A525-L528 PolarHBondContact O-N 3.03Å; A525-L529 WeakPolarHBondContact O-CB 3.48Å; A525-L529 WeakPolarHBondContact O-CD1 3.2Å; A525-L529 PolarHBondContact O-N 2.94Å |
| 526 | I | 88.4 | Confident | 81.6 | Confident | 18 Ų | 18 | 76.9 Ų | 76.9 | 9% | 0.092 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.7 | -50.1 | 175.9 | -68 | 168.1 | 0 | 0 | 0 | 110.2 | L522 M523 L528 L529 E530 | L522-I526 HydrophobicContact CG-CD1 4.42Å; L522-I526 WeakPolarHBondContact O-CG1 3.45Å; L522-I526 PolarHBondContact O-N 2.94Å; M523-I526 HydrophobicContact CE-CD1 4.29Å; M523-I526 PolarHBondContact O-N 3.45Å; M523-I526 HydrophobicContact SD-CD1 4.01Å; I526-L528 VanDerWaalsContact C-N 3.31Å; I526-L528 PolarHBondContact O-N 3.46Å; I526-L529 PolarHBondContact O-N 3.42Å; I526-L529 VanDerWaalsContact O-N 3.1Å; I526-E530 PolarHBondContact O-N 3.12Å |
| 527 | A | 86.2 | Confident | 79.1 | Confident | 27 Ų | 27 | 78.6 Ų | 78.6 | 22% | 0.223 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.8 | -39.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L263 M523 L524 | L263-A527 WeakPolarHBondContact O-CB 3.3Å; M523-A527 WeakPolarHBondContact O-CB 3.49Å; M523-A527 PolarHBondContact O-N 2.95Å; L524-A527 PolarHBondContact O-N 3.24Å |
| 528 | L | 86.1 | Confident | 76.5 | Confident | 126 Ų | 126 | 78.5 Ų | 78.5 | 66% | 0.66 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -75.3 | -24.4 | 177.9 | -68.3 | 174.8 | 0 | 0 | 0 | 113.8 | L524 A525 I526 | L524-L528 HydrophobicContact CD1-CD1 4.16Å; L524-L528 HydrophobicContact CD1-CG 4.24Å; L524-L528 HydrophobicContact CG-CD1 4.05Å; L524-L528 WeakPolarHBondContact O-CB 3.43Å; L524-L528 VanDerWaalsContact O-CG 3.25Å; L524-L528 WeakPolarHBondContact O-CG 3.36Å; L524-L528 PolarHBondContact O-N 2.83Å; A525-L528 PolarHBondContact O-N 3.03Å; I526-L528 VanDerWaalsContact C-N 3.31Å; I526-L528 PolarHBondContact O-N 3.46Å |
| 529 | L | 85.1 | Confident | 73.6 | Confident | 101 Ų | 101 | 84 Ų | 84 | 53% | 0.529 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -95.3 | -3.8 | -179.1 | -88.4 | 79.4 | 0 | 0 | 0 | 113.2 | A525 I526 E531 R532 L533 | A525-L529 WeakPolarHBondContact O-CB 3.48Å; A525-L529 WeakPolarHBondContact O-CD1 3.2Å; A525-L529 PolarHBondContact O-N 2.94Å; I526-L529 PolarHBondContact O-N 3.42Å; I526-L529 VanDerWaalsContact O-N 3.1Å; L529-E531 VanDerWaalsContact C-N 3.31Å; L529-E531 PolarHBondContact O-N 3.19Å; L529-R532 CarbonylContact O-C 3.53Å; L529-R532 WeakPolarHBondContact O-CA 3.47Å; L529-R532 WeakPolarHBondContact O-CB 3.44Å; L529-R532 PolarHBondContact O-N 3.14Å; L529-L533 PolarHBondContact O-N 3.26Å |
| 530 | E | 77.9 | Confident | 70.7 | Confident | 30 Ų | 30 | 91.2 Ų | 91.2 | 14% | 0.14 | 53% | 0.534 | C | S | . | . | G | 310 helix | trans | -53.8 | -44.9 | -176.6 | 179.6 | 153 | -145.8 | 0 | 0 | 113.3 | H264 H268 S411 S415 I526 R532 L533 | H264-E530 IonicContact CD2-OE2 3.6Å; H268-E530 IonicContact CE1-OE1 3.75Å; H268-E530 PolarHBondContact CE1-OE1 3.11Å; H268-E530 IonicContact CE1-OE2 3.35Å; H268-E530 PolarHBondContact CE1-OE2 3.12Å; H268-E530 IonicContact NE2-OE1 3.9Å; H268-E530 PolarHBondContact NE2-OE1 3.48Å; H268-E530 VanDerWaalsContact NE2-OE1 3.14Å; H268-E530 IonicContact NE2-OE2 3.56Å; S411-E530 PolarHBondContact OG-O 2.97Å; S415-E530 VanDerWaalsContact CB-OE1 3.27Å; S415-E530 WeakPolarHBondContact CB-OE1 3.14Å; S415-E530 PolarHBondContact OG-OE1 3.44Å; I526-E530 PolarHBondContact O-N 3.12Å; E530-R532 PolarHBondContact O-N 3.23Å; E530-R532 VanDerWaalsContact O-N 3.12Å; E530-L533 WeakPolarHBondContact O-CB 3.21Å; E530-L533 PolarHBondContact O-N 3.13Å; E530-L533 VanDerWaalsContact O-N 3.12Å |
| 531 | E | 67.4 | Low | 69.5 | Low | 162 Ų | 162 | 94.7 Ų | 94.7 | 76% | 0.757 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -66.9 | -14.2 | 177.2 | -64.1 | -63.3 | 170 | 0 | 0 | 113.8 | L529 | L529-E531 VanDerWaalsContact C-N 3.31Å; L529-E531 PolarHBondContact O-N 3.19Å |
| 532 | R | 69.8 | Low | 68.2 | Low | 212 Ų | 212 | 97.7 Ų | 97.7 | 80% | 0.8 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -100.7 | -5.3 | 178.8 | -59 | -63.6 | -165.5 | -177 | 0.2 | 112.8 | L529 E530 L534 | L529-R532 CarbonylContact O-C 3.53Å; L529-R532 WeakPolarHBondContact O-CA 3.47Å; L529-R532 WeakPolarHBondContact O-CB 3.44Å; L529-R532 PolarHBondContact O-N 3.14Å; E530-R532 PolarHBondContact O-N 3.23Å; E530-R532 VanDerWaalsContact O-N 3.12Å; R532-L534 PolarHBondContact O-N 3.16Å |
| 533 | L | 63.6 | Low | 66.8 | Low | 47 Ų | 47 | 99.4 Ų | 99.4 | 25% | 0.246 | 57% | 0.569 | C | S | . | * | trans | -76.3 | 8.3 | -179.3 | -77.3 | 168.2 | 0 | 0 | 0 | 114.2 | L414 L418 L529 E530 | L414-L533 HydrophobicContact CD2-CD2 4.44Å; L418-L533 HydrophobicContact CD1-CD1 4.37Å; L418-L533 HydrophobicContact CD1-CD2 4.21Å; L529-L533 PolarHBondContact O-N 3.26Å; E530-L533 WeakPolarHBondContact O-CB 3.21Å; E530-L533 PolarHBondContact O-N 3.13Å; E530-L533 VanDerWaalsContact O-N 3.12Å | ||
| 534 | L | 54.6 | Low | 65.2 | Low | 126 Ų | 126 | 105.2 Ų | 105.2 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | trans | -53.6 | 136.7 | 170.5 | -79 | 163.5 | 0 | 0 | 0 | 111.3 | R532 V536 | R532-L534 PolarHBondContact O-N 3.16Å; L534-V536 PolarHBondContact O-N 3.46Å | ||
| 535 | P | 49.2 | Very low | 63.5 | Low | 71 Ų | 71 | 106.7 Ų | 106.7 | 46% | 0.461 | 61% | 0.613 | S | S | . | * | trans | -67.1 | 128.4 | 176.4 | 29 | -32.4 | 0 | 0 | 0 | 109.2 | T537 | P535-T537 PolarHBondContact O-N 3.29Š| ||
| 536 | V | 43.5 | Very low | 61.7 | Low | 151 Ų | 151 | 110.9 Ų | 110.9 | 92% | 0.915 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -68.4 | 54.4 | 167 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | L534 | L534-V536 PolarHBondContact O-N 3.46Š|
| 537 | T | 42.5 | Very low | 59.8 | Low | 101 Ų | 101 | 117.6 Ų | 117.6 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | trans | -141.3 | 67.6 | 179.7 | 61 | 0 | 0 | 0 | 0 | 109.8 | P535 | P535-T537 PolarHBondContact O-N 3.29Š| ||
| 538 | T | 40.2 | Very low | 57.7 | Low | 133 Ų | 133 | 124.5 Ų | 124.5 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | trans | -179.3 | 73.3 | 143.3 | 45 | 0 | 0 | 0 | 0 | 109 | ||||
| 539 | E | 36.5 | Very low | 55.4 | Low | 206 Ų | 206 | 124.4 Ų | 124.4 | 96% | 0.963 | 71% | 0.707 | S | S | * | * | trans | -125.3 | 92.5 | 151.1 | -77.2 | -82.4 | 134.6 | 0 | 0 | 104.1 | ||||
| 540 | G | 34.1 | Very low | 52.7 | Low | 153 Ų | 153 | 126.5 Ų | 126.5 | 100% | 1.577 | 72% | 0.723 | S | S | * | * | trans | -141 | 0 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 540 of 540 residues in 100.7 ms
(Link to these results)