| 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 | 35.9 | Very low | 40.7 | Very low | 251 Ų | 251 | 139.7 Ų | 139.7 | 100% | 1.236 | 81% | 0.812 | S | S | * | * | 0 | 105.4 | 0 | -72.8 | 173.4 | 177.6 | 0 | 0 | 107.7 | |||||
| 2 | A | 34.8 | Very low | 41.1 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 122.2 | -177 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 3 | G | 34.3 | Very low | 41.9 | Very low | 77 Ų | 77 | 138.6 Ų | 138.6 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -94 | 119.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 4 | G | 32.8 | Very low | 42.9 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -78 | 130.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 5 | V | 40.1 | Very low | 43.5 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 117.7 | 169.8 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 6 | R | 37.8 | Very low | 44.2 | Very low | 231 Ų | 231 | 134 Ų | 134 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -83 | 140.2 | 169.8 | -80.2 | -178.8 | 169.9 | -173.7 | -2.3 | 110.3 | ||
| 7 | P | 41.6 | Very low | 44.9 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 130.1 | -177 | 31.6 | -31.4 | 0 | 0 | 0 | 111.6 | R9 | P7-R9 PolarHBondContact O-N 3.16Š|
| 8 | L | 52 | Low | 45.7 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | trans | -69.4 | 83.8 | 174.4 | -120.2 | 76.8 | 0 | 0 | 0 | 110.7 | G10 L11 | L8-G10 VanDerWaalsContact C-N 3.32Å; L8-L11 HydrophobicContact CD2-CB 4.14Å; L8-L11 HydrophobicContact CD2-CD1 4.2Å; L8-L11 HydrophobicContact CD2-CD2 4.17Å; L8-L11 HydrophobicContact CD2-CG 4.41Å | ||
| 9 | R | 47.8 | Very low | 46.3 | Very low | 230 Ų | 230 | 128.4 Ų | 128.4 | 87% | 0.868 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -73.6 | -21.3 | 179.1 | -139.4 | 173.2 | -176.7 | 179.5 | -0.1 | 113.1 | P7 | P7-R9 PolarHBondContact O-N 3.16Å |
| 10 | G | 43.7 | Very low | 46.9 | Very low | 51 Ų | 51 | 128.3 Ų | 128.3 | 53% | 0.526 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -76.7 | -31.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L8 R12 A13 V14 | L8-G10 VanDerWaalsContact C-N 3.32Å; G10-R12 VanDerWaalsContact C-N 3.33Å; G10-R12 PolarHBondContact O-N 3.42Å; G10-A13 PolarHBondContact O-N 3.05Å; G10-V14 PolarHBondContact O-N 2.92Å |
| 11 | L | 46.5 | Very low | 47.3 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 62% | 0.623 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -69.8 | -30.7 | -175.3 | -145.5 | 75.1 | 0 | 0 | 0 | 112.7 | L8 C15 | L8-L11 HydrophobicContact CD2-CB 4.14Å; L8-L11 HydrophobicContact CD2-CD1 4.2Å; L8-L11 HydrophobicContact CD2-CD2 4.17Å; L8-L11 HydrophobicContact CD2-CG 4.41Å; L11-C15 WeakPolarHBondContact O-CB 3.39Å; L11-C15 PolarHBondContact O-N 2.78Å; L11-C15 VanDerWaalsContact O-N 3.15Å |
| 12 | R | 46.5 | Very low | 48.3 | Very low | 207 Ų | 207 | 118 Ų | 118 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71 | -30.1 | 175.8 | -81.6 | -176.2 | 174.8 | -179 | -1 | 113.1 | G10 R16 | G10-R12 VanDerWaalsContact C-N 3.33Å; G10-R12 PolarHBondContact O-N 3.42Å; R12-R16 WeakPolarHBondContact O-CG 3.29Å; R12-R16 PolarHBondContact O-N 3Å |
| 13 | A | 50.7 | Low | 49 | Very low | 58 Ų | 58 | 118.6 Ų | 118.6 | 48% | 0.479 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -74.6 | -44.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G10 C15 R16 V17 | G10-A13 PolarHBondContact O-N 3.05Å; A13-C15 PolarHBondContact O-N 3.39Å; A13-R16 PolarHBondContact O-N 3.36Å; A13-V17 WeakPolarHBondContact O-CG2 3.45Å; A13-V17 PolarHBondContact O-N 3.13Å |
| 14 | V | 55.7 | Low | 49.9 | Very low | 87 Ų | 87 | 121.6 Ų | 121.6 | 53% | 0.527 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.3 | -41.6 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | G10 R16 V17 L18 | G10-V14 PolarHBondContact O-N 2.92Å; V14-R16 PolarHBondContact O-N 3.47Å; V14-V17 PolarHBondContact O-N 2.96Å; V14-L18 HydrophobicContact CG1-CD1 3.96Å; V14-L18 WeakPolarHBondContact O-CG 3.31Å; V14-L18 PolarHBondContact O-N 2.84Å |
| 15 | C | 51.8 | Low | 50.6 | Low | 72 Ų | 72 | 122 Ų | 122 | 49% | 0.486 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.6 | -36.1 | 177.9 | -161.8 | 0 | 0 | 0 | 0 | 112.5 | L11 A13 L19 | L11-C15 WeakPolarHBondContact O-CB 3.39Å; L11-C15 PolarHBondContact O-N 2.78Å; L11-C15 VanDerWaalsContact O-N 3.15Å; A13-C15 PolarHBondContact O-N 3.39Å; C15-L19 WeakPolarHBondContact O-CB 3.42Å; C15-L19 VanDerWaalsContact O-CG 3.24Å; C15-L19 WeakPolarHBondContact O-CG 3.48Å; C15-L19 PolarHBondContact O-N 3.44Å |
| 16 | R | 55.7 | Low | 51 | Low | 183 Ų | 183 | 121.7 Ų | 121.7 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.1 | -42.3 | 173.1 | -80 | -174.4 | 175 | -162.3 | -2.2 | 112.1 | R12 A13 V14 L18 L19 F20 | R12-R16 WeakPolarHBondContact O-CG 3.29Å; R12-R16 PolarHBondContact O-N 3Å; A13-R16 PolarHBondContact O-N 3.36Å; V14-R16 PolarHBondContact O-N 3.47Å; R16-L18 VanDerWaalsContact C-N 3.35Å; R16-L18 PolarHBondContact O-N 2.84Å; R16-L19 PolarHBondContact O-N 2.92Å; R16-F20 VanDerWaalsContact O-CD2 3.25Å; R16-F20 WeakPolarHBondContact O-CD2 3.35Å; R16-F20 PolarHBondContact O-N 3.2Å |
| 17 | V | 56.5 | Low | 51.2 | Low | 88 Ų | 88 | 117.6 Ų | 117.6 | 53% | 0.533 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.3 | -41.4 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | A13 V14 F20 I21 | A13-V17 WeakPolarHBondContact O-CG2 3.45Å; A13-V17 PolarHBondContact O-N 3.13Å; V14-V17 PolarHBondContact O-N 2.96Å; V17-F20 PolarHBondContact O-N 3.08Å; V17-I21 HydrophobicContact CG1-CD1 3.85Å; V17-I21 VanDerWaalsContact O-CG1 3.26Å; V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 3.23Å |
| 18 | L | 58.6 | Low | 51.2 | Low | 106 Ų | 106 | 117 Ų | 117 | 56% | 0.555 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.6 | -37.4 | 175.9 | -72.1 | 167.9 | 0 | 0 | 0 | 112.8 | V14 R16 I21 S22 | V14-L18 HydrophobicContact CG1-CD1 3.96Å; V14-L18 WeakPolarHBondContact O-CG 3.31Å; V14-L18 PolarHBondContact O-N 2.84Å; R16-L18 VanDerWaalsContact C-N 3.35Å; R16-L18 PolarHBondContact O-N 2.84Å; L18-I21 PolarHBondContact O-N 3.3Å; L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.01Å |
| 19 | L | 57.4 | Low | 50.4 | Low | 102 Ų | 102 | 114.2 Ų | 114.2 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.1 | -37.2 | 173.9 | -73.3 | 170.2 | 0 | 0 | 0 | 112.2 | C15 R16 S22 Q23 | C15-L19 WeakPolarHBondContact O-CB 3.42Å; C15-L19 VanDerWaalsContact O-CG 3.24Å; C15-L19 WeakPolarHBondContact O-CG 3.48Å; C15-L19 PolarHBondContact O-N 3.44Å; R16-L19 PolarHBondContact O-N 2.92Å; L19-S22 PolarHBondContact O-N 3Å; L19-Q23 PolarHBondContact O-N 2.88Å |
| 20 | F | 58.4 | Low | 49.7 | Very low | 125 Ų | 125 | 106.4 Ų | 106.4 | 55% | 0.548 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.6 | -41 | 173.7 | -90.9 | -76.7 | 0 | 0 | 0 | 112.2 | R16 V17 S22 Q23 F24 | R16-F20 VanDerWaalsContact O-CD2 3.25Å; R16-F20 WeakPolarHBondContact O-CD2 3.35Å; R16-F20 PolarHBondContact O-N 3.2Å; V17-F20 PolarHBondContact O-N 3.08Å; F20-S22 VanDerWaalsContact C-N 3.35Å; F20-Q23 PolarHBondContact O-N 3.48Å; F20-F24 WeakPolarHBondContact O-CD2 3.38Å; F20-F24 PolarHBondContact O-N 2.92Å |
| 21 | I | 55.8 | Low | 48.9 | Very low | 97 Ų | 97 | 112.7 Ų | 112.7 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.2 | -41 | 175.4 | -67.1 | 167 | 0 | 0 | 0 | 110.6 | V17 L18 Q23 F24 C25 | V17-I21 HydrophobicContact CG1-CD1 3.85Å; V17-I21 VanDerWaalsContact O-CG1 3.26Å; V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 3.23Å; L18-I21 PolarHBondContact O-N 3.3Å; I21-Q23 VanDerWaalsContact C-N 3.35Å; I21-Q23 PolarHBondContact O-N 2.92Å; I21-F24 PolarHBondContact O-N 3.48Å; I21-C25 PolarHBondContact O-N 3.41Å; I21-C25 PolarHBondContact O-SG 3.31Å; I21-C25 VanDerWaalsContact O-SG 3.37Å |
| 22 | S | 56.1 | Low | 47.9 | Very low | 68 Ų | 68 | 114.8 Ų | 114.8 | 48% | 0.476 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.8 | -37.8 | 174.2 | 180 | 0 | 0 | 0 | 0 | 112.7 | L18 L19 F20 I26 | L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.01Å; L19-S22 PolarHBondContact O-N 3Å; F20-S22 VanDerWaalsContact C-N 3.35Å; S22-I26 VanDerWaalsContact O-CG1 3.27Å; S22-I26 WeakPolarHBondContact O-CG1 3.29Å; S22-I26 PolarHBondContact O-N 2.03Å |
| 23 | Q | 48.5 | Very low | 47.5 | Very low | 122 Ų | 122 | 110.9 Ų | 110.9 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.5 | -32.5 | 177.4 | -94.3 | 165 | -14.2 | 0 | 0 | 113.2 | L19 F20 I21 L27 | L19-Q23 PolarHBondContact O-N 2.88Å; F20-Q23 PolarHBondContact O-N 3.48Å; I21-Q23 VanDerWaalsContact C-N 3.35Å; I21-Q23 PolarHBondContact O-N 2.92Å; Q23-L27 PolarHBondContact O-N 3.2Å |
| 24 | F | 53.3 | Low | 46.3 | Very low | 139 Ų | 139 | 116 Ų | 116 | 61% | 0.61 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.6 | -32.7 | 173.1 | -91 | -83.3 | 0 | 0 | 0 | 113.2 | F20 I21 L27 S28 | F20-F24 WeakPolarHBondContact O-CD2 3.38Å; F20-F24 PolarHBondContact O-N 2.92Å; I21-F24 PolarHBondContact O-N 3.48Å; F24-L27 PolarHBondContact O-N 3.32Å; F24-S28 PolarHBondContact O-N 2.89Å; F24-S28 VanDerWaalsContact O-N 3.16Å; F24-S28 PolarHBondContact O-OG 2.87Å |
| 25 | C | 47.8 | Very low | 45.1 | Very low | 86 Ų | 86 | 116.5 Ų | 116.5 | 58% | 0.581 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66.7 | -34.8 | 173 | -72.3 | 0 | 0 | 0 | 0 | 112.7 | I21 L27 | I21-C25 PolarHBondContact O-N 3.41Å; I21-C25 PolarHBondContact O-SG 3.31Å; I21-C25 VanDerWaalsContact O-SG 3.37Å; C25-L27 VanDerWaalsContact C-N 3.33Å |
| 26 | I | 49 | Very low | 43.9 | Very low | 138 Ų | 138 | 120 Ų | 120 | 71% | 0.708 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.7 | -27.5 | 176.1 | -63 | -73.2 | 0 | 0 | 0 | 111.7 | S22 | S22-I26 VanDerWaalsContact O-CG1 3.27Å; S22-I26 WeakPolarHBondContact O-CG1 3.29Å; S22-I26 PolarHBondContact O-N 2.03Å |
| 27 | L | 42.5 | Very low | 42.8 | Very low | 144 Ų | 144 | 115.8 Ų | 115.8 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -86.1 | -15.7 | 177.5 | -77.5 | 165.6 | 0 | 0 | 0 | 114.6 | Q23 F24 C25 | Q23-L27 PolarHBondContact O-N 3.2Å; F24-L27 PolarHBondContact O-N 3.32Å; C25-L27 VanDerWaalsContact C-N 3.33Å |
| 28 | S | 40.9 | Very low | 41.6 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -92.9 | -9.6 | 175.3 | -64.4 | 0 | 0 | 0 | 0 | 113.9 | F24 G30 | F24-S28 PolarHBondContact O-N 2.89Å; F24-S28 VanDerWaalsContact O-N 3.16Å; F24-S28 PolarHBondContact O-OG 2.87Å; S28-G30 VanDerWaalsContact C-N 3.29Å; S28-G30 PolarHBondContact O-N 3.48Å |
| 29 | G | 34.8 | Very low | 40.3 | Very low | 74 Ų | 74 | 119.4 Ų | 119.4 | 76% | 0.763 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -83.5 | 17.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 30 | G | 33 | Very low | 39.1 | Very low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 71% | 0.707 | S | S | * | * | trans | -133.8 | 60 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S28 | S28-G30 VanDerWaalsContact C-N 3.29Å; S28-G30 PolarHBondContact O-N 3.48Å | ||
| 31 | E | 26.9 | Very low | 37.7 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | -95.5 | 82.3 | 153 | -98.9 | -176 | 82.4 | 0 | 0 | 108.7 | S33 | E31-S33 PolarHBondContact O-N 2.96Š| ||
| 32 | Q | 27.1 | Very low | 36.6 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | trans | -65.1 | 119 | 161.7 | -165.9 | 168.3 | 14.3 | 0 | 0 | 107.1 | Q34 | Q32-Q34 PolarHBondContact O-N 2.98Š| ||
| 33 | S | 36.2 | Very low | 35.7 | Very low | 124 Ų | 124 | 130 Ų | 130 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | trans | -50.3 | 107.3 | 165.3 | -60 | 0 | 0 | 0 | 0 | 109.1 | E31 | E31-S33 PolarHBondContact O-N 2.96Š| ||
| 34 | Q | 26.2 | Very low | 35.2 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | trans | -121.1 | 90.9 | 168.1 | -138.9 | 158.8 | -27.9 | 0 | 0 | 107.6 | Q32 L36 | Q32-Q34 PolarHBondContact O-N 2.98Å; Q34-L36 PolarHBondContact O-N 2.02Å | ||
| 35 | A | 31.1 | Very low | 34.3 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -56 | 108 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | A37 | A35-A37 VanDerWaalsContact C-N 3.34Å; A35-A37 PolarHBondContact O-N 3.25Å | ||
| 36 | L | 26 | Very low | 33.6 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -73.2 | 93.1 | 171.7 | -166.5 | 99.7 | 0 | 0 | 0 | 108 | Q34 Q38 | Q34-L36 PolarHBondContact O-N 2.02Å; L36-Q38 HydrophobicContact CD2-CG 4.37Å; L36-Q38 HydrophobicContact CG-CG 4.27Å | ||
| 37 | A | 33 | Very low | 33.2 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -79 | 111.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | A35 | A35-A37 VanDerWaalsContact C-N 3.34Å; A35-A37 PolarHBondContact O-N 3.25Å | ||
| 38 | Q | 31.3 | Very low | 32.8 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -136.2 | 97.3 | 161.4 | -76.6 | -174.7 | -37.8 | 0 | 0 | 107 | L36 | L36-Q38 HydrophobicContact CD2-CG 4.37Å; L36-Q38 HydrophobicContact CG-CG 4.27Å | ||
| 39 | S | 31 | Very low | 32.5 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | 82.6 | 89.8 | 86.9 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | K41 | S39-K41 PolarHBondContact O-N 2.86Š| |||
| 40 | I | 31.7 | Very low | 32.3 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -55 | 126.8 | 165 | -62.1 | 166 | 0 | 0 | 0 | 108 | ||||
| 41 | K | 29.9 | Very low | 32.5 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -114.4 | 102 | 172 | -166.7 | 179.1 | -174.7 | -175.9 | 0 | 107.4 | S39 P43 | S39-K41 PolarHBondContact O-N 2.86Å; K41-P43 WeakPolarHBondContact O-CD 3.04Å | ||
| 42 | D | 32.7 | Very low | 33.2 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -67.9 | 137.6 | 168.6 | -81.8 | -60.4 | 0 | 0 | 0 | 111 | ||||
| 43 | P | 36.9 | Very low | 33.6 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -112.9 | 133.5 | 146.1 | 7.1 | 13.9 | 0 | 0 | 0 | 110.2 | K41 | K41-P43 WeakPolarHBondContact O-CD 3.04Š| ||
| 44 | G | 36.8 | Very low | 33.4 | Very low | 62 Ų | 62 | 141.3 Ų | 141.3 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | -63.8 | -176 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | T46 | G44-T46 PolarHBondContact O-N 3.05Š| ||
| 45 | P | 35 | Very low | 33.8 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | -83.2 | 119.4 | -154.3 | 32.5 | -32.6 | 0 | 0 | 0 | 111.9 | ||||
| 46 | T | 32.8 | Very low | 34.1 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -101.5 | 115.4 | 165.7 | -49.9 | 0 | 0 | 0 | 0 | 108.4 | G44 A48 | G44-T46 PolarHBondContact O-N 3.05Å; T46-A48 PolarHBondContact O-N 2.03Å; T46-A48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | R | 40.8 | Very low | 35.1 | Very low | 236 Ų | 236 | 140.1 Ų | 140.1 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -65.5 | 106.7 | 177.3 | -74 | 179.2 | 169.9 | 173.5 | -3.1 | 110 | ||||
| 48 | A | 34.8 | Very low | 35.6 | Very low | 91 Ų | 91 | 139.2 Ų | 139.2 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -97.9 | 128.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | T46 T50 | T46-A48 PolarHBondContact O-N 2.03Å; T46-A48 VanDerWaalsContact O-N 3.15Å; A48-T50 PolarHBondContact O-N 2.79Å | ||
| 49 | F | 34.1 | Very low | 36.7 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -70 | 122.6 | 179 | -79 | -98.9 | 0 | 0 | 0 | 110.5 | V51 | F49-V51 PolarHBondContact O-N 3.4Š| ||
| 50 | T | 31.7 | Very low | 37.8 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -71.7 | 103.7 | 171.3 | -34.2 | 0 | 0 | 0 | 0 | 109.2 | A48 V52 | A48-T50 PolarHBondContact O-N 2.79Å; T50-V52 HydrophobicContact CG2-CG2 4.21Å | ||
| 51 | V | 36.2 | Very low | 39.1 | Very low | 126 Ų | 126 | 139 Ų | 139 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -84.6 | 108.4 | 157 | 176.8 | 0 | 0 | 0 | 0 | 105.8 | F49 P53 | F49-V51 PolarHBondContact O-N 3.4Å; V51-P53 WeakPolarHBondContact O-CD 3.35Å | ||
| 52 | V | 41 | Very low | 40.9 | Very low | 117 Ų | 117 | 132 Ų | 132 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | trans | -73.9 | 111.6 | 171.6 | 175.1 | 0 | 0 | 0 | 0 | 107.7 | T50 | T50-V52 HydrophobicContact CG2-CG2 4.21Š| ||
| 53 | P | 36.6 | Very low | 42.6 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | trans | -78.1 | 126.9 | 162.4 | -0.4 | 21.8 | 0 | 0 | 0 | 106.7 | V51 A55 | V51-P53 WeakPolarHBondContact O-CD 3.35Å; P53-A55 PolarHBondContact O-N 2.85Å; P53-A55 VanDerWaalsContact O-N 3.17Å | ||
| 54 | R | 32.8 | Very low | 44 | Very low | 241 Ų | 241 | 127.3 Ų | 127.3 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | trans | -46.3 | 122.8 | 164.9 | -91.3 | 173.9 | 167.1 | 143.7 | -4.5 | 108.6 | A56 | R54-A56 PolarHBondContact O-N 2.8Š| ||
| 55 | A | 34.6 | Very low | 45.6 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 84% | 0.835 | 70% | 0.704 | S | S | * | * | trans | -58.2 | 107.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | P53 E57 | P53-A55 PolarHBondContact O-N 2.85Å; P53-A55 VanDerWaalsContact O-N 3.17Å; A55-E57 PolarHBondContact O-N 3.49Å | ||
| 56 | A | 35.8 | Very low | 47.3 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | trans | -64.6 | 128.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | R54 S58 | R54-A56 PolarHBondContact O-N 2.8Å; A56-S58 VanDerWaalsContact C-N 3.28Å; A56-S58 PolarHBondContact O-N 3.12Å | ||
| 57 | E | 47.5 | Very low | 49.5 | Very low | 194 Ų | 194 | 127.7 Ų | 127.7 | 91% | 0.907 | 69% | 0.691 | S | S | * | * | trans | -62.6 | 91.7 | 172.2 | -166.7 | 164 | -170.5 | 0 | 0 | 108 | A55 T59 | A55-E57 PolarHBondContact O-N 3.49Å; E57-T59 PolarHBondContact O-N 2.94Å | ||
| 58 | S | 43.5 | Very low | 51.4 | Low | 75 Ų | 75 | 117 Ų | 117 | 52% | 0.524 | 65% | 0.652 | S | S | . | * | trans | -77.6 | 116.8 | 176.5 | -165.9 | 0 | 0 | 0 | 0 | 107.9 | A56 E60 | A56-S58 VanDerWaalsContact C-N 3.28Å; A56-S58 PolarHBondContact O-N 3.12Å; S58-E60 WeakPolarHBondContact CB-OE1 3.49Å; S58-E60 PolarHBondContact O-N 3.18Å; S58-E60 VanDerWaalsContact OG-CG 3.28Å; S58-E60 WeakPolarHBondContact OG-CG 3.04Å; S58-E60 PolarHBondContact OG-OE1 2.93Å | ||
| 59 | T | 53.7 | Low | 53.6 | Low | 143 Ų | 143 | 115.8 Ų | 115.8 | 88% | 0.877 | 64% | 0.637 | S | S | * | * | trans | -70.8 | 64.4 | 165.3 | -45.8 | 0 | 0 | 0 | 0 | 108.3 | E57 I61 | E57-T59 PolarHBondContact O-N 2.94Å; T59-I61 PolarHBondContact O-N 2.95Å | ||
| 60 | E | 54.8 | Low | 55.6 | Low | 150 Ų | 150 | 110.9 Ų | 110.9 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | trans | -85.5 | 111.8 | 176.1 | -94.5 | 166.3 | -133.8 | 0 | 0 | 108.8 | S58 P62 | S58-E60 WeakPolarHBondContact CB-OE1 3.49Å; S58-E60 PolarHBondContact O-N 3.18Å; S58-E60 VanDerWaalsContact OG-CG 3.28Å; S58-E60 WeakPolarHBondContact OG-CG 3.04Å; S58-E60 PolarHBondContact OG-OE1 2.93Å; E60-P62 VanDerWaalsContact O-CD 3.27Å; E60-P62 WeakPolarHBondContact O-CD 3.4Å; E60-P62 VanDerWaalsContact O-N 3.16Å | ||
| 61 | I | 58.8 | Low | 57.8 | Low | 130 Ų | 130 | 110.2 Ų | 110.2 | 67% | 0.667 | 62% | 0.618 | S | S | * | * | trans | -55.1 | 119.5 | 170 | -60.5 | 166.8 | 0 | 0 | 0 | 107 | T59 V65 | T59-I61 PolarHBondContact O-N 2.95Å; I61-V65 HydrophobicContact CG2-CB 3.86Å; I61-V65 HydrophobicContact CG2-CG1 4.1Å; I61-V65 HydrophobicContact CG2-CG2 3.95Å | ||
| 62 | P | 68.3 | Low | 60.1 | Low | 43 Ų | 43 | 105.4 Ų | 105.4 | 28% | 0.279 | 60% | 0.595 | S | S | . | * | trans | -61.5 | 143.8 | -175.6 | -26.9 | 35.7 | 0 | 0 | 0 | 112.1 | E60 Y64 V65 | E60-P62 VanDerWaalsContact O-CD 3.27Å; E60-P62 WeakPolarHBondContact O-CD 3.4Å; E60-P62 VanDerWaalsContact O-N 3.16Å; P62-Y64 HydrophobicContact CB-CD1 3.33Å; P62-Y64 HydrophobicContact CB-CE1 3.04Å; P62-Y64 HydrophobicContact CB-CG 4.21Å; P62-Y64 HydrophobicContact CG-CD1 4.34Å; P62-Y64 HydrophobicContact CG-CE1 3.58Å; P62-Y64 PolarHBondContact O-N 3.08Å; P62-V65 HydrophobicContact CB-CG2 4.42Å; P62-V65 WeakPolarHBondContact O-CB 3.05Å; P62-V65 WeakPolarHBondContact O-CG2 3.45Å; P62-V65 PolarHBondContact O-N 3.07Å | ||
| 63 | P | 67.3 | Low | 62.4 | Low | 115 Ų | 115 | 103.2 Ų | 103.2 | 75% | 0.747 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -13.3 | -175.6 | 23.4 | -33.7 | 0 | 0 | 0 | 114.4 | ||
| 64 | Y | 67.8 | Low | 64.8 | Low | 53 Ų | 53 | 98.2 Ų | 98.2 | 21% | 0.208 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -24.8 | 175.1 | 67.3 | -102.8 | 0 | 0 | 0 | 113.3 | P62 M66 K67 C68 K103 P104 V106 | P62-Y64 HydrophobicContact CB-CD1 3.33Å; P62-Y64 HydrophobicContact CB-CE1 3.04Å; P62-Y64 HydrophobicContact CB-CG 4.21Å; P62-Y64 HydrophobicContact CG-CD1 4.34Å; P62-Y64 HydrophobicContact CG-CE1 3.58Å; P62-Y64 PolarHBondContact O-N 3.08Å; Y64-M66 VanDerWaalsContact C-N 3.27Å; Y64-M66 PolarHBondContact O-N 2.95Å; Y64-K67 PolarHBondContact O-N 3.3Å; Y64-K67 VanDerWaalsContact O-N 3.12Å; Y64-C68 PolarHBondContact O-SG 2.88Å; Y64-K103 HydrophobicContact CD2-CD 4.22Å; Y64-K103 HydrophobicContact CE1-CD 4.42Å; Y64-K103 HydrophobicContact CE2-CB 3.87Å; Y64-K103 HydrophobicContact CE2-CD 3.97Å; Y64-P104 PolarHBondContact OH-O 2.9Å; Y64-V106 HydrophobicContact CE2-CG2 4.4Å |
| 65 | V | 69.4 | Low | 67.3 | Low | 32 Ų | 32 | 89.9 Ų | 89.9 | 19% | 0.194 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -64.3 | -33.1 | -174.1 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | I61 P62 K67 C68 | I61-V65 HydrophobicContact CG2-CB 3.86Å; I61-V65 HydrophobicContact CG2-CG1 4.1Å; I61-V65 HydrophobicContact CG2-CG2 3.95Å; P62-V65 HydrophobicContact CB-CG2 4.42Å; P62-V65 WeakPolarHBondContact O-CB 3.05Å; P62-V65 WeakPolarHBondContact O-CG2 3.45Å; P62-V65 PolarHBondContact O-N 3.07Å; V65-K67 PolarHBondContact O-N 2.04Å; V65-C68 PolarHBondContact O-N 2.96Å |
| 66 | M | 70.8 | Confident | 69.8 | Low | 171 Ų | 171 | 95.2 Ų | 95.2 | 84% | 0.842 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -69.2 | -19.4 | 179 | -63.4 | -60.6 | -69.6 | 0 | 0 | 113.8 | Y64 | Y64-M66 VanDerWaalsContact C-N 3.27Å; Y64-M66 PolarHBondContact O-N 2.95Å |
| 67 | K | 78.4 | Confident | 72.4 | Confident | 141 Ų | 141 | 91.1 Ų | 91.1 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -94.5 | -8.1 | -179.9 | -62.8 | -176.3 | -179.3 | -177.2 | 0 | 112.9 | Y64 V65 | Y64-K67 PolarHBondContact O-N 3.3Å; Y64-K67 VanDerWaalsContact O-N 3.12Å; V65-K67 PolarHBondContact O-N 2.04Å |
| 68 | C | 82.3 | Confident | 74.4 | Confident | 12 Ų | 12 | 82.9 Ų | 82.9 | 8% | 0.081 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -95.6 | 124.5 | -175.1 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | Y64 V65 S70 C81 V106 | Y64-C68 PolarHBondContact O-SG 2.88Å; V65-C68 PolarHBondContact O-N 2.96Å; C68-S70 PolarHBondContact O-N 2.91Å; C68-C81 WeakPolarHBondContact CA-SG 3.04Å; C68-C81 HydrophobicContact CB-CB 4.02Å; C68-C81 WeakPolarHBondContact CB-SG 3.06Å; C68-C81 WeakPolarHBondContact SG-CB 3.46Å; C68-C81 CovalentContact SG-SG 2.03Å; C68-C81 PolarHBondContact SG-SG 3.27Å; C68-V106 HydrophobicContact CB-CG1 3.98Å; C68-V106 HydrophobicContact CB-CG2 3.77Å |
| 69 | P | 79.4 | Confident | 76.6 | Confident | 65 Ų | 65 | 80.1 Ų | 80.1 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 132.1 | 173.7 | 28.2 | -32.2 | 0 | 0 | 0 | 110.3 | L77 | P69-L77 HydrophobicContact CG-CD1 4.32Š|
| 70 | S | 76.9 | Confident | 78.2 | Confident | 93 Ų | 93 | 75.8 Ų | 75.8 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 138.8 | 174.6 | -54 | 0 | 0 | 0 | 0 | 110.9 | C68 G72 | C68-S70 PolarHBondContact O-N 2.91Å; S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 2.83Å |
| 71 | N | 78.4 | Confident | 79.9 | Confident | 114 Ų | 114 | 68.6 Ų | 68.6 | 61% | 0.61 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 21.8 | 175 | -57.7 | -20.9 | 0 | 0 | 0 | 115.9 | T107 | N71-T107 PolarHBondContact N-O 3.42Å; N71-T107 PolarHBondContact OD1-OG1 2.97Å; N71-T107 VanDerWaalsContact OD1-OG1 3.12Å |
| 72 | G | 84.2 | Confident | 81.4 | Confident | 26 Ų | 26 | 62.9 Ų | 62.9 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 173.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S70 C74 C108 V109 | S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 2.83Å; G72-C74 PolarHBondContact O-N 3.17Å; G72-C108 WeakPolarHBondContact O-CA 3.4Å; G72-C108 WeakPolarHBondContact O-CB 3.45Å; G72-V109 PolarHBondContact O-N 2.83Å |
| 73 | L | 89 | Confident | 82.5 | Confident | 71 Ų | 71 | 66.3 Ų | 66.3 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 132.1 | 170.8 | -100.2 | 83.8 | 0 | 0 | 0 | 110.9 | S75 R76 V109 Q111 | L73-S75 PolarHBondContact O-N 3.22Å; L73-R76 PolarHBondContact O-N 3.37Å; L73-R76 VanDerWaalsContact O-N 3.08Å; L73-V109 CarbonylContact C-O 3.58Å; L73-V109 VanDerWaalsContact CA-O 3.29Å; L73-V109 WeakPolarHBondContact CA-O 3.04Å; L73-Q111 HydrophobicContact CD2-CG 4.2Å |
| 74 | C | 86.8 | Confident | 83.7 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -57.5 | -35.7 | 177.8 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | G72 R76 L77 C108 V109 F119 | G72-C74 PolarHBondContact O-N 3.17Å; C74-R76 PolarHBondContact O-N 3Å; C74-L77 WeakPolarHBondContact O-CB 3.42Å; C74-L77 PolarHBondContact O-N 3.22Å; C74-C108 WeakPolarHBondContact CA-SG 3.35Å; C74-C108 HydrophobicContact CB-CB 3.91Å; C74-C108 WeakPolarHBondContact CB-SG 3.01Å; C74-C108 WeakPolarHBondContact SG-CB 3.32Å; C74-C108 CovalentContact SG-SG 2.03Å; C74-C108 PolarHBondContact SG-SG 3.4Å; C74-V109 PolarHBondContact N-O 2.76Å; C74-V109 PolarHBondContact SG-O 3.42Å; C74-F119 HydrophobicContact CB-CB 4.45Å; C74-F119 HydrophobicContact CB-CD1 3.84Å; C74-F119 HydrophobicContact CB-CD2 3.89Å; C74-F119 HydrophobicContact CB-CE1 3.99Å; C74-F119 HydrophobicContact CB-CE2 3.99Å; C74-F119 HydrophobicContact CB-CG 3.79Å; C74-F119 HydrophobicContact CB-CZ 4.04Å; C74-F119 WeakPolarHBondContact O-CE2 3.01Å; C74-F119 VanDerWaalsContact O-CZ 3.29Å; C74-F119 WeakPolarHBondContact O-CZ 3.25Å |
| 75 | S | 86.3 | Confident | 84.7 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -68.7 | -13.9 | 179.3 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | L73 | L73-S75 PolarHBondContact O-N 3.22Š|
| 76 | R | 87.1 | Confident | 85.5 | Confident | 214 Ų | 214 | 66.2 Ų | 66.2 | 81% | 0.808 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -110.1 | 9.5 | 179.9 | -80.3 | -172.2 | 145.2 | 132.9 | -1.7 | 113.2 | L73 C74 | L73-R76 PolarHBondContact O-N 3.37Å; L73-R76 VanDerWaalsContact O-N 3.08Å; C74-R76 PolarHBondContact O-N 3Å |
| 77 | L | 89.4 | Confident | 86.2 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | trans | -69.3 | 138 | -178.9 | -136.9 | 67.1 | 0 | 0 | 0 | 110.3 | P69 C74 C81 I82 V102 V106 C108 H165 | P69-L77 HydrophobicContact CG-CD1 4.32Å; C74-L77 WeakPolarHBondContact O-CB 3.42Å; C74-L77 PolarHBondContact O-N 3.22Å; L77-C81 HydrophobicContact CD2-CB 3.76Å; L77-C81 HydrophobicContact CG-CB 3.84Å; L77-I82 HydrophobicContact CB-CG2 3.87Å; L77-I82 HydrophobicContact CD2-CG2 3.57Å; L77-I82 HydrophobicContact CG-CG2 4.21Å; L77-V102 HydrophobicContact CD2-CG1 4.19Å; L77-V106 HydrophobicContact CD2-CG1 3.88Å; L77-C108 HydrophobicContact CD1-CB 4.15Å; L77-C108 HydrophobicContact CD2-CB 4.36Å; L77-H165 PolarHBondContact O-CE1 3.38Å | ||
| 78 | P | 90.4 | Very high | 86.6 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | trans | -53.9 | 147.6 | 173.1 | -28.6 | 36.4 | 0 | 0 | 0 | 112.4 | D80 C81 D162 | P78-D80 PolarHBondContact O-N 3.12Å; P78-D80 VanDerWaalsContact O-N 3.12Å; P78-C81 WeakPolarHBondContact O-CB 3.01Å; P78-C81 PolarHBondContact O-N 2.03Å; P78-D162 HydrophobicContact CB-CB 4.19Å | ||
| 79 | A | 88.4 | Confident | 87 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -57.6 | -28.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C81 I82 D162 R170 | A79-C81 PolarHBondContact O-N 3.28Å; A79-I82 VanDerWaalsContact O-O 3.13Å; A79-D162 PolarHBondContact N-O 3.22Å; A79-R170 VanDerWaalsContact CB-CZ 3.42Å; A79-R170 VanDerWaalsContact CB-NH1 3.28Å |
| 80 | D | 89 | Confident | 87.5 | Confident | 51 Ų | 51 | 64.5 Ų | 64.5 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -70.5 | -20.3 | 178.6 | -75.1 | -1.2 | 0 | 0 | 0 | 113.3 | P78 K103 R170 | P78-D80 PolarHBondContact O-N 3.12Å; P78-D80 VanDerWaalsContact O-N 3.12Å; D80-K103 WeakPolarHBondContact O-CD 3.16Å; D80-K103 VanDerWaalsContact O-CE 3.32Å; D80-K103 WeakPolarHBondContact O-CE 3.17Å; D80-K103 PolarHBondContact O-NZ 2.79Å; D80-R170 IonicContact OD1-NE 3.25Å |
| 81 | C | 89.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -93.8 | -6.3 | -175.3 | -54.7 | 0 | 0 | 0 | 0 | 113.4 | C68 L77 P78 A79 K103 V106 | C68-C81 WeakPolarHBondContact CA-SG 3.04Å; C68-C81 HydrophobicContact CB-CB 4.02Å; C68-C81 WeakPolarHBondContact CB-SG 3.06Å; C68-C81 WeakPolarHBondContact SG-CB 3.46Å; C68-C81 CovalentContact SG-SG 2.03Å; C68-C81 PolarHBondContact SG-SG 3.27Å; L77-C81 HydrophobicContact CD2-CB 3.76Å; L77-C81 HydrophobicContact CG-CB 3.84Å; P78-C81 WeakPolarHBondContact O-CB 3.01Å; P78-C81 PolarHBondContact O-N 2.03Å; A79-C81 PolarHBondContact O-N 3.28Å; C81-K103 WeakPolarHBondContact O-CB 3.37Å; C81-K103 PolarHBondContact O-N 3Å; C81-V106 HydrophobicContact CB-CG1 4.41Å |
| 82 | I | 91.1 | Very high | 89 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 155.5 | -173.4 | 66.7 | 178.1 | 0 | 0 | 0 | 109.6 | L77 A79 C100 A101 F119 I121 | L77-I82 HydrophobicContact CB-CG2 3.87Å; L77-I82 HydrophobicContact CD2-CG2 3.57Å; L77-I82 HydrophobicContact CG-CG2 4.21Å; A79-I82 VanDerWaalsContact O-O 3.13Å; I82-C100 HydrophobicContact CD1-CB 4.46Å; I82-A101 CarbonylContact C-O 3.56Å; I82-A101 WeakPolarHBondContact CA-O 3.1Å; I82-F119 HydrophobicContact CG2-CE1 4.32Å; I82-F119 HydrophobicContact CG2-CZ 3.81Å; I82-I121 HydrophobicContact CD1-CD1 3.95Å |
| 83 | D | 91.3 | Very high | 89.3 | Confident | 115 Ų | 115 | 66.7 Ų | 66.7 | 62% | 0.615 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.2 | 171.1 | -166.3 | 3.9 | 0 | 0 | 0 | 108.4 | C100 A101 | D83-C100 CarbonylContact O-C 3.59Å; D83-C100 WeakPolarHBondContact O-CA 3.38Å; D83-A101 PolarHBondContact N-O 2.04Å; D83-A101 PolarHBondContact O-N 3.25Å |
| 84 | C | 90.7 | Very high | 89.6 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.6 | -171.2 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | T86 D99 C100 | C84-T86 PolarHBondContact O-N 3.49Å; C84-D99 WeakPolarHBondContact CA-O 3.36Å; C84-C100 HydrophobicContact CB-CB 4.06Å; C84-C100 WeakPolarHBondContact CB-SG 3.48Å; C84-C100 WeakPolarHBondContact SG-CB 3.09Å; C84-C100 CovalentContact SG-SG 2.03Å; C84-C100 PolarHBondContact SG-SG 3.01Å |
| 85 | T | 90.3 | Very high | 89.9 | Confident | 108 Ų | 108 | 73.5 Ų | 73.5 | 66% | 0.663 | 40% | 0.402 | S | S | * | . | trans | -71.9 | 98.4 | 173.4 | -55.7 | 0 | 0 | 0 | 0 | 108.9 | F98 D99 | T85-F98 WeakPolarHBondContact O-CD1 3.2Å; T85-D99 PolarHBondContact N-O 3.34Å | ||
| 86 | T | 85.3 | Confident | 90.2 | Very high | 63 Ų | 63 | 72.2 Ų | 72.2 | 39% | 0.387 | 39% | 0.391 | S | S | . | . | trans | -79.3 | 124.7 | -177 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | C84 F88 L167 | C84-T86 PolarHBondContact O-N 3.49Å; T86-F88 WeakPolarHBondContact OG1-CZ 3.42Å; T86-L167 HydrophobicContact CG2-CD2 3.93Å | ||
| 87 | N | 86 | Confident | 90.5 | Very high | 92 Ų | 92 | 66.8 Ų | 66.8 | 49% | 0.492 | 38% | 0.382 | S | S | . | . | trans | -104.3 | 116.1 | 168.2 | -169.3 | -34.7 | 0 | 0 | 0 | 109.9 | S89 F98 | N87-S89 VanDerWaalsContact C-N 3.31Å; N87-S89 PolarHBondContact O-N 3.31Å; N87-S89 VanDerWaalsContact OD1-CB 3.25Å; N87-S89 WeakPolarHBondContact OD1-CB 3.3Å; N87-S89 PolarHBondContact OD1-N 3.29Å; N87-S89 PolarHBondContact OD1-OG 3.42Å; N87-F98 HydrophobicContact CB-CE1 4.36Å | ||
| 88 | F | 87 | Confident | 90.5 | Very high | 118 Ų | 118 | 66.9 Ų | 66.9 | 52% | 0.518 | 38% | 0.382 | S | S | . | . | trans | -82.6 | -2.6 | -178.4 | -57.5 | -70.6 | 0 | 0 | 0 | 114.2 | T86 C90 F127 L167 | T86-F88 WeakPolarHBondContact OG1-CZ 3.42Å; F88-C90 VanDerWaalsContact C-N 3.27Å; F88-C90 PolarHBondContact O-N 3.25Å; F88-F127 AromaticContact CD1-CE1 3.77Å; F88-F127 HydrophobicContact CD1-CE1 3.77Å; F88-F127 HydrophobicContact CD1-CZ 4.2Å; F88-F127 HydrophobicContact CE1-CE1 4.17Å; F88-L167 HydrophobicContact CD1-CB 4.49Å; F88-L167 HydrophobicContact CE1-CB 4.39Å | ||
| 89 | S | 89.6 | Confident | 90.7 | Very high | 112 Ų | 112 | 70 Ų | 70 | 78% | 0.783 | 40% | 0.398 | S | S | * | . | trans | -88.5 | 17.3 | -172.6 | -46.7 | 0 | 0 | 0 | 0 | 114 | N87 | N87-S89 VanDerWaalsContact C-N 3.31Å; N87-S89 PolarHBondContact O-N 3.31Å; N87-S89 VanDerWaalsContact OD1-CB 3.25Å; N87-S89 WeakPolarHBondContact OD1-CB 3.3Å; N87-S89 PolarHBondContact OD1-N 3.29Å; N87-S89 PolarHBondContact OD1-OG 3.42Å | ||
| 90 | C | 90.3 | Very high | 90.9 | Very high | 30 Ų | 30 | 69.2 Ų | 69.2 | 20% | 0.203 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -87.5 | 158 | -177.3 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | F88 V96 C125 | F88-C90 VanDerWaalsContact C-N 3.27Å; F88-C90 PolarHBondContact O-N 3.25Å; C90-V96 HydrophobicContact CB-CG2 3.64Å; C90-C125 HydrophobicContact CB-CB 3.64Å; C90-C125 WeakPolarHBondContact CB-SG 3.34Å; C90-C125 PolarHBondContact O-SG 2.74Å; C90-C125 VanDerWaalsContact O-SG 3.41Å; C90-C125 WeakPolarHBondContact SG-CB 3.18Å; C90-C125 CovalentContact SG-SG 2.02Å; C90-C125 PolarHBondContact SG-SG 3.39Å |
| 91 | V | 92.9 | Very high | 91 | Very high | 102 Ų | 102 | 68.4 Ų | 68.4 | 62% | 0.618 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -79 | 125.3 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | G93 K94 C125 | V91-G93 PolarHBondContact O-N 3.43Å; V91-K94 HydrophobicContact CB-CB 4.41Å; V91-K94 HydrophobicContact CB-CG 3.96Å; V91-K94 HydrophobicContact CG1-CG 3.95Å; V91-K94 WeakPolarHBondContact O-CB 3.19Å; V91-K94 PolarHBondContact O-N 3.48Å; V91-K94 VanDerWaalsContact O-N 3.13Å; V91-C125 WeakPolarHBondContact O-CB 3.2Å |
| 92 | Y | 93.3 | Very high | 91.1 | Very high | 135 Ų | 135 | 69.6 Ų | 69.6 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 130.9 | 178.6 | 178.3 | -94.5 | 0 | 0 | 0 | 112 | K94 C125 R126 Q130 | Y92-K94 VanDerWaalsContact C-N 3.31Å; Y92-K94 PolarHBondContact O-N 2.87Å; Y92-C125 WeakPolarHBondContact CA-O 3.48Å; Y92-R126 HydrophobicContact CD2-CB 4.33Å; Y92-R126 HydrophobicContact CE2-CB 3.96Å; Y92-Q130 HydrophobicContact CE2-CB 4.19Å |
| 93 | G | 92 | Very high | 91.1 | Very high | 42 Ų | 42 | 72.2 Ų | 72.2 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -1.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | V91 C125 | V91-G93 PolarHBondContact O-N 3.43Å; G93-C125 PolarHBondContact N-O 3.05Å |
| 94 | K | 94.2 | Very high | 90.9 | Very high | 131 Ų | 131 | 71.2 Ų | 71.2 | 57% | 0.57 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -93.8 | 145.9 | 174.5 | -62.3 | -61.1 | -175.1 | -179.9 | 0 | 111.6 | V91 Y92 C125 | V91-K94 HydrophobicContact CB-CB 4.41Å; V91-K94 HydrophobicContact CB-CG 3.96Å; V91-K94 HydrophobicContact CG1-CG 3.95Å; V91-K94 WeakPolarHBondContact O-CB 3.19Å; V91-K94 PolarHBondContact O-N 3.48Å; V91-K94 VanDerWaalsContact O-N 3.13Å; Y92-K94 VanDerWaalsContact C-N 3.31Å; Y92-K94 PolarHBondContact O-N 2.87Å; K94-C125 WeakPolarHBondContact O-CB 3.36Å; K94-C125 PolarHBondContact O-N 2.95Å |
| 95 | P | 93.9 | Very high | 90.5 | Very high | 88 Ų | 88 | 74.6 Ų | 74.6 | 57% | 0.571 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 135.9 | 174.4 | 28.9 | -33.5 | 0 | 0 | 0 | 110.4 | N122 | P95-N122 WeakPolarHBondContact CB-OD1 3.49Å |
| 96 | V | 92.6 | Very high | 90.3 | Very high | 38 Ų | 38 | 70.2 Ų | 70.2 | 23% | 0.23 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.9 | 179.2 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | C90 F98 M123 C125 | C90-V96 HydrophobicContact CB-CG2 3.64Å; V96-F98 HydrophobicContact CB-CE2 3.76Å; V96-F98 HydrophobicContact CB-CZ 4.04Å; V96-F98 HydrophobicContact CG1-CD2 4.3Å; V96-F98 HydrophobicContact CG1-CE1 4.26Å; V96-F98 HydrophobicContact CG1-CE2 3.71Å; V96-F98 HydrophobicContact CG1-CZ 3.7Å; V96-F98 WeakPolarHBondContact O-CD2 3.36Å; V96-M123 PolarHBondContact N-O 3.12Å; V96-M123 PolarHBondContact O-N 2.85Å; V96-M123 VanDerWaalsContact O-O 3.11Å; V96-C125 HydrophobicContact CG2-CB 4.15Å |
| 97 | T | 92.9 | Very high | 90.4 | Very high | 99 Ų | 99 | 70.8 Ų | 70.8 | 61% | 0.607 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.4 | 177 | 50.7 | 0 | 0 | 0 | 0 | 110.7 | I120 I121 | T97-I120 HydrophobicContact CG2-CG2 4.11Å; T97-I121 CarbonylContact C-O 3.55Å; T97-I121 VanDerWaalsContact CA-O 3.31Å; T97-I121 WeakPolarHBondContact CA-O 3.13Å |
| 98 | F | 90.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.9 | 176 | -61.2 | -91.8 | 0 | 0 | 0 | 110.1 | T85 N87 V96 I120 I121 M123 L167 | T85-F98 WeakPolarHBondContact O-CD1 3.2Å; N87-F98 HydrophobicContact CB-CE1 4.36Å; V96-F98 HydrophobicContact CB-CE2 3.76Å; V96-F98 HydrophobicContact CB-CZ 4.04Å; V96-F98 HydrophobicContact CG1-CD2 4.3Å; V96-F98 HydrophobicContact CG1-CE1 4.26Å; V96-F98 HydrophobicContact CG1-CE2 3.71Å; V96-F98 HydrophobicContact CG1-CZ 3.7Å; V96-F98 WeakPolarHBondContact O-CD2 3.36Å; F98-I120 WeakPolarHBondContact O-CA 3.5Å; F98-I121 HydrophobicContact CB-CG1 4.5Å; F98-I121 PolarHBondContact N-O 3.29Å; F98-I121 PolarHBondContact O-N 2.99Å; F98-M123 HydrophobicContact CB-CE 4.14Å; F98-M123 HydrophobicContact CD2-CE 3.52Å; F98-M123 HydrophobicContact CD2-CG 3.45Å; F98-M123 VanDerWaalsContact CD2-CG 3.45Å; F98-M123 HydrophobicContact CD2-SD 3.71Å; F98-M123 HydrophobicContact CE2-CE 4.15Å; F98-M123 HydrophobicContact CE2-CG 3.28Å; F98-M123 HydrophobicContact CE2-SD 3.68Å; F98-M123 HydrophobicContact CG-CE 3.97Å; F98-M123 HydrophobicContact CG-SD 4.49Å; F98-M123 HydrophobicContact CZ-CG 4.42Å; F98-M123 HydrophobicContact CZ-SD 4.45Å; F98-L167 HydrophobicContact CE1-CD2 3.9Å; F98-L167 HydrophobicContact CZ-CD2 3.88Å |
| 99 | D | 93.1 | Very high | 90.7 | Very high | 86 Ų | 86 | 62 Ų | 62 | 46% | 0.46 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 122.2 | 173.5 | -165.6 | -48.8 | 0 | 0 | 0 | 109 | C84 T85 | C84-D99 WeakPolarHBondContact CA-O 3.36Å; T85-D99 PolarHBondContact N-O 3.34Å |
| 100 | C | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.9 | -175.4 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | I82 D83 C84 N118 F119 I121 | I82-C100 HydrophobicContact CD1-CB 4.46Å; D83-C100 CarbonylContact O-C 3.59Å; D83-C100 WeakPolarHBondContact O-CA 3.38Å; C84-C100 HydrophobicContact CB-CB 4.06Å; C84-C100 WeakPolarHBondContact CB-SG 3.48Å; C84-C100 WeakPolarHBondContact SG-CB 3.09Å; C84-C100 CovalentContact SG-SG 2.03Å; C84-C100 PolarHBondContact SG-SG 3.01Å; C100-N118 WeakPolarHBondContact O-CA 3.37Å; C100-F119 HydrophobicContact CB-CE1 4.4Å; C100-F119 HydrophobicContact CB-CE2 4.35Å; C100-F119 HydrophobicContact CB-CZ 4.18Å; C100-F119 PolarHBondContact N-O 3.41Å; C100-F119 PolarHBondContact O-N 2.89Å; C100-F119 VanDerWaalsContact O-O 3.12Å; C100-I121 WeakPolarHBondContact SG-CD1 3.14Å; C100-I121 VanDerWaalsContact SG-CG1 3.51Å |
| 101 | A | 92.8 | Very high | 90.5 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 141.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I82 D83 K117 | I82-A101 CarbonylContact C-O 3.56Å; I82-A101 WeakPolarHBondContact CA-O 3.1Å; D83-A101 PolarHBondContact N-O 2.04Å; D83-A101 PolarHBondContact O-N 3.25Å; A101-K117 CarbonylContact C-O 3.59Å; A101-K117 VanDerWaalsContact CA-O 3.3Å; A101-K117 WeakPolarHBondContact CA-O 3Å |
| 102 | V | 91.9 | Very high | 90.3 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.3 | 172.4 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | L77 V106 C108 K117 F119 | L77-V102 HydrophobicContact CD2-CG1 4.19Å; V102-V106 HydrophobicContact CG1-CB 3.62Å; V102-V106 HydrophobicContact CG1-CG1 3.83Å; V102-V106 WeakPolarHBondContact CG1-O 3.47Å; V102-C108 WeakPolarHBondContact CG2-SG 3.44Å; V102-K117 PolarHBondContact N-O 3.27Å; V102-F119 HydrophobicContact CG2-CD1 4.2Å; V102-F119 HydrophobicContact CG2-CE1 3.61Å |
| 103 | K | 90.3 | Very high | 89.9 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 157.5 | 175 | -77.8 | -174 | -177.3 | 170.9 | 0 | 112.1 | Y64 D80 C81 S105 V106 | Y64-K103 HydrophobicContact CD2-CD 4.22Å; Y64-K103 HydrophobicContact CE1-CD 4.42Å; Y64-K103 HydrophobicContact CE2-CB 3.87Å; Y64-K103 HydrophobicContact CE2-CD 3.97Å; D80-K103 WeakPolarHBondContact O-CD 3.16Å; D80-K103 VanDerWaalsContact O-CE 3.32Å; D80-K103 WeakPolarHBondContact O-CE 3.17Å; D80-K103 PolarHBondContact O-NZ 2.79Å; C81-K103 WeakPolarHBondContact O-CB 3.37Å; C81-K103 PolarHBondContact O-N 3Å; K103-S105 PolarHBondContact O-N 2.85Å; K103-V106 PolarHBondContact O-N 2.85Å |
| 104 | P | 86.4 | Confident | 89.8 | Confident | 94 Ų | 94 | 72.1 Ų | 72.1 | 61% | 0.61 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 143.3 | 174.5 | -22.8 | 32.2 | 0 | 0 | 0 | 111.6 | Y64 V106 | Y64-P104 PolarHBondContact OH-O 2.9Å; P104-V106 PolarHBondContact O-N 3.04Å |
| 105 | S | 82.6 | Confident | 89.4 | Confident | 98 Ų | 98 | 70.9 Ų | 70.9 | 69% | 0.685 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 4.9 | 177.2 | -47.4 | 0 | 0 | 0 | 0 | 116.8 | K103 | K103-S105 PolarHBondContact O-N 2.85Š|
| 106 | V | 86.4 | Confident | 89 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 10% | 0.097 | 38% | 0.384 | C | S | . | . | trans | -106.2 | 134.2 | 170.8 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | Y64 C68 L77 C81 V102 K103 P104 | Y64-V106 HydrophobicContact CE2-CG2 4.4Å; C68-V106 HydrophobicContact CB-CG1 3.98Å; C68-V106 HydrophobicContact CB-CG2 3.77Å; L77-V106 HydrophobicContact CD2-CG1 3.88Å; C81-V106 HydrophobicContact CB-CG1 4.41Å; V102-V106 HydrophobicContact CG1-CB 3.62Å; V102-V106 HydrophobicContact CG1-CG1 3.83Å; V102-V106 WeakPolarHBondContact CG1-O 3.47Å; K103-V106 PolarHBondContact O-N 2.85Å; P104-V106 PolarHBondContact O-N 3.04Å | ||
| 107 | T | 87.1 | Confident | 88.8 | Confident | 75 Ų | 75 | 76.1 Ų | 76.1 | 46% | 0.46 | 41% | 0.409 | S | S | . | . | trans | -117.2 | 128.4 | 177 | 56.8 | 0 | 0 | 0 | 0 | 110.6 | N71 | N71-T107 PolarHBondContact N-O 3.42Å; N71-T107 PolarHBondContact OD1-OG1 2.97Å; N71-T107 VanDerWaalsContact OD1-OG1 3.12Å | ||
| 108 | C | 89 | Confident | 88.8 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.014 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 158.9 | 172.9 | 69.8 | 0 | 0 | 0 | 0 | 110.3 | G72 C74 L77 V102 Q116 | G72-C108 WeakPolarHBondContact O-CA 3.4Å; G72-C108 WeakPolarHBondContact O-CB 3.45Å; C74-C108 WeakPolarHBondContact CA-SG 3.35Å; C74-C108 HydrophobicContact CB-CB 3.91Å; C74-C108 WeakPolarHBondContact CB-SG 3.01Å; C74-C108 WeakPolarHBondContact SG-CB 3.32Å; C74-C108 CovalentContact SG-SG 2.03Å; C74-C108 PolarHBondContact SG-SG 3.4Å; L77-C108 HydrophobicContact CD1-CB 4.15Å; L77-C108 HydrophobicContact CD2-CB 4.36Å; V102-C108 WeakPolarHBondContact CG2-SG 3.44Å; C108-Q116 PolarHBondContact O-N 3.46Å |
| 109 | V | 90.6 | Very high | 88.9 | Confident | 24 Ų | 24 | 77 Ų | 77 | 15% | 0.145 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 151.9 | 178.3 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | G72 L73 C74 K114 | G72-V109 PolarHBondContact O-N 2.83Å; L73-V109 CarbonylContact C-O 3.58Å; L73-V109 VanDerWaalsContact CA-O 3.29Å; L73-V109 WeakPolarHBondContact CA-O 3.04Å; C74-V109 PolarHBondContact N-O 2.76Å; C74-V109 PolarHBondContact SG-O 3.42Å; V109-K114 WeakPolarHBondContact CA-O 3.46Å |
| 110 | D | 88.5 | Confident | 88.8 | Confident | 51 Ų | 51 | 78.3 Ų | 78.3 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | trans | -84.3 | 179.8 | 168.4 | -159.3 | 3.1 | 0 | 0 | 0 | 111 | D112 F113 K114 Q116 | D110-D112 PolarHBondContact O-N 3.49Å; D110-D112 VanDerWaalsContact O-N 3.16Å; D110-F113 PolarHBondContact O-N 3.26Å; D110-K114 PolarHBondContact N-O 3.37Å; D110-Q116 HydrophobicContact CB-CG 4.21Å; D110-Q116 PolarHBondContact OD2-NE2 3.13Å | ||
| 111 | Q | 87.8 | Confident | 88.7 | Confident | 148 Ų | 148 | 78.8 Ų | 78.8 | 69% | 0.692 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29 | 177.4 | -67.5 | 173.4 | 18.5 | 0 | 0 | 112.9 | L73 F113 | L73-Q111 HydrophobicContact CD2-CG 4.2Å; Q111-F113 VanDerWaalsContact C-N 3.29Å; Q111-F113 PolarHBondContact O-N 3.42Å |
| 112 | D | 88.5 | Confident | 88.7 | Confident | 116 Ų | 116 | 82.5 Ų | 82.5 | 62% | 0.62 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 17 | 177.2 | -63.3 | -48.9 | 0 | 0 | 0 | 114 | D110 K114 | D110-D112 PolarHBondContact O-N 3.49Å; D110-D112 VanDerWaalsContact O-N 3.16Å; D112-K114 HydrophobicContact CB-CD 4.4Å; D112-K114 HydrophobicContact CB-CG 4.41Å; D112-K114 PolarHBondContact O-N 2.83Å |
| 113 | F | 85.1 | Confident | 88.6 | Confident | 181 Ų | 181 | 82.3 Ų | 82.3 | 79% | 0.794 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 57.6 | 18.7 | -176.3 | -62.5 | -84.6 | 0 | 0 | 0 | 114.9 | D110 Q111 | D110-F113 PolarHBondContact O-N 3.26Å; Q111-F113 VanDerWaalsContact C-N 3.29Å; Q111-F113 PolarHBondContact O-N 3.42Å |
| 114 | K | 88.4 | Confident | 88.7 | Confident | 138 Ų | 138 | 82.5 Ų | 82.5 | 60% | 0.6 | 44% | 0.437 | S | S | * | . | trans | -89 | 133.7 | 175.7 | -68.5 | 176 | -175.3 | 170.2 | 0 | 109.8 | V109 D110 D112 Q116 | V109-K114 WeakPolarHBondContact CA-O 3.46Å; D110-K114 PolarHBondContact N-O 3.37Å; D112-K114 HydrophobicContact CB-CD 4.4Å; D112-K114 HydrophobicContact CB-CG 4.41Å; D112-K114 PolarHBondContact O-N 2.83Å; K114-Q116 PolarHBondContact O-N 2.8Å | ||
| 115 | S | 86.3 | Confident | 89 | Confident | 105 Ų | 105 | 78.3 Ų | 78.3 | 73% | 0.734 | 41% | 0.41 | S | S | * | . | B | Isolated β-bridge | trans | -66.9 | 125 | 173.4 | 58.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 116 | Q | 86.2 | Confident | 89.6 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | trans | -122.2 | 143.6 | 175.5 | -68.5 | -174.7 | -1.3 | 0 | 0 | 110.4 | C108 D110 K114 | C108-Q116 PolarHBondContact O-N 3.46Å; D110-Q116 HydrophobicContact CB-CG 4.21Å; D110-Q116 PolarHBondContact OD2-NE2 3.13Å; K114-Q116 PolarHBondContact O-N 2.8Å | ||
| 117 | K | 88.4 | Confident | 90 | Very high | 171 Ų | 171 | 78.8 Ų | 78.8 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -98.4 | -35.2 | 174 | -67.9 | -174.1 | 179.4 | -178.7 | 0 | 112.1 | A101 V102 | A101-K117 CarbonylContact C-O 3.59Å; A101-K117 VanDerWaalsContact CA-O 3.3Å; A101-K117 WeakPolarHBondContact CA-O 3Å; V102-K117 PolarHBondContact N-O 3.27Å |
| 118 | N | 92.1 | Very high | 90.3 | Very high | 104 Ų | 104 | 75.3 Ų | 75.3 | 56% | 0.556 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.1 | 179.6 | -56.3 | -22.2 | 0 | 0 | 0 | 108.1 | C100 | C100-N118 WeakPolarHBondContact O-CA 3.37Å |
| 119 | F | 92.1 | Very high | 90.6 | Very high | 18 Ų | 18 | 83 Ų | 83 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 164.8 | -178.7 | 61.8 | -79.9 | 0 | 0 | 0 | 109.7 | C74 I82 C100 V102 I121 | C74-F119 HydrophobicContact CB-CB 4.45Å; C74-F119 HydrophobicContact CB-CD1 3.84Å; C74-F119 HydrophobicContact CB-CD2 3.89Å; C74-F119 HydrophobicContact CB-CE1 3.99Å; C74-F119 HydrophobicContact CB-CE2 3.99Å; C74-F119 HydrophobicContact CB-CG 3.79Å; C74-F119 HydrophobicContact CB-CZ 4.04Å; C74-F119 WeakPolarHBondContact O-CE2 3.01Å; C74-F119 VanDerWaalsContact O-CZ 3.29Å; C74-F119 WeakPolarHBondContact O-CZ 3.25Å; I82-F119 HydrophobicContact CG2-CE1 4.32Å; I82-F119 HydrophobicContact CG2-CZ 3.81Å; C100-F119 HydrophobicContact CB-CE1 4.4Å; C100-F119 HydrophobicContact CB-CE2 4.35Å; C100-F119 HydrophobicContact CB-CZ 4.18Å; C100-F119 PolarHBondContact N-O 3.41Å; C100-F119 PolarHBondContact O-N 2.89Å; C100-F119 VanDerWaalsContact O-O 3.12Å; V102-F119 HydrophobicContact CG2-CD1 4.2Å; V102-F119 HydrophobicContact CG2-CE1 3.61Å; F119-I121 HydrophobicContact CD2-CG2 3.61Å; F119-I121 HydrophobicContact CE2-CG2 3.29Å; F119-I121 HydrophobicContact CZ-CG2 4.45Å |
| 120 | I | 91.6 | Very high | 90.8 | Very high | 115 Ų | 115 | 84.6 Ų | 84.6 | 59% | 0.59 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.1 | -177.3 | -58.1 | 171.2 | 0 | 0 | 0 | 108.8 | T97 F98 | T97-I120 HydrophobicContact CG2-CG2 4.11Å; F98-I120 WeakPolarHBondContact O-CA 3.5Å |
| 121 | I | 91.1 | Very high | 91.2 | Very high | 10 Ų | 10 | 82.8 Ų | 82.8 | 5% | 0.051 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 145.5 | 172.4 | 66.5 | -178.3 | 0 | 0 | 0 | 111 | I82 T97 F98 C100 F119 M123 | I82-I121 HydrophobicContact CD1-CD1 3.95Å; T97-I121 CarbonylContact C-O 3.55Å; T97-I121 VanDerWaalsContact CA-O 3.31Å; T97-I121 WeakPolarHBondContact CA-O 3.13Å; F98-I121 HydrophobicContact CB-CG1 4.5Å; F98-I121 PolarHBondContact N-O 3.29Å; F98-I121 PolarHBondContact O-N 2.99Å; C100-I121 WeakPolarHBondContact SG-CD1 3.14Å; C100-I121 VanDerWaalsContact SG-CG1 3.51Å; F119-I121 HydrophobicContact CD2-CG2 3.61Å; F119-I121 HydrophobicContact CE2-CG2 3.29Å; F119-I121 HydrophobicContact CZ-CG2 4.45Å; I121-M123 HydrophobicContact CD1-CE 3.34Å; I121-M123 HydrophobicContact CG1-CE 3.67Å |
| 122 | N | 91.9 | Very high | 91.5 | Very high | 113 Ų | 113 | 78.1 Ų | 78.1 | 60% | 0.604 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.8 | 173.7 | -173.4 | -0.5 | 0 | 0 | 0 | 109.1 | P95 | P95-N122 WeakPolarHBondContact CB-OD1 3.49Å |
| 123 | M | 89.8 | Confident | 91.7 | Very high | 20 Ų | 20 | 79.3 Ų | 79.3 | 10% | 0.099 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 158.7 | 175.2 | 70.5 | -179.4 | 82.3 | 0 | 0 | 110.8 | V96 F98 I121 H165 | V96-M123 PolarHBondContact N-O 3.12Å; V96-M123 PolarHBondContact O-N 2.85Å; V96-M123 VanDerWaalsContact O-O 3.11Å; F98-M123 HydrophobicContact CB-CE 4.14Å; F98-M123 HydrophobicContact CD2-CE 3.52Å; F98-M123 HydrophobicContact CD2-CG 3.45Å; F98-M123 VanDerWaalsContact CD2-CG 3.45Å; F98-M123 HydrophobicContact CD2-SD 3.71Å; F98-M123 HydrophobicContact CE2-CE 4.15Å; F98-M123 HydrophobicContact CE2-CG 3.28Å; F98-M123 HydrophobicContact CE2-SD 3.68Å; F98-M123 HydrophobicContact CG-CE 3.97Å; F98-M123 HydrophobicContact CG-SD 4.49Å; F98-M123 HydrophobicContact CZ-CG 4.42Å; F98-M123 HydrophobicContact CZ-SD 4.45Å; I121-M123 HydrophobicContact CD1-CE 3.34Å; I121-M123 HydrophobicContact CG1-CE 3.67Å; M123-H165 HydrophobicContact CB-CB 4.04Å; M123-H165 HydrophobicContact CE-CB 3.75Å; M123-H165 HydrophobicContact CG-CB 4.49Å; M123-H165 HydrophobicContact SD-CB 3.7Å |
| 124 | T | 92.8 | Very high | 92.2 | Very high | 68 Ų | 68 | 75.2 Ų | 75.2 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.8 | 175 | -57.7 | 0 | 0 | 0 | 0 | 109.6 | R126 | T124-R126 PolarHBondContact O-N 3.09Å |
| 125 | C | 93.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 70.2 Ų | 70.2 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | trans | -63.7 | 103.1 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | C90 V91 Y92 G93 K94 V96 | C90-C125 HydrophobicContact CB-CB 3.64Å; C90-C125 WeakPolarHBondContact CB-SG 3.34Å; C90-C125 PolarHBondContact O-SG 2.74Å; C90-C125 VanDerWaalsContact O-SG 3.41Å; C90-C125 WeakPolarHBondContact SG-CB 3.18Å; C90-C125 CovalentContact SG-SG 2.02Å; C90-C125 PolarHBondContact SG-SG 3.39Å; V91-C125 WeakPolarHBondContact O-CB 3.2Å; Y92-C125 WeakPolarHBondContact CA-O 3.48Å; G93-C125 PolarHBondContact N-O 3.05Å; K94-C125 WeakPolarHBondContact O-CB 3.36Å; K94-C125 PolarHBondContact O-N 2.95Å; V96-C125 HydrophobicContact CG2-CB 4.15Å | ||
| 126 | R | 94.4 | Very high | 93 | Very high | 52 Ų | 52 | 65.9 Ų | 65.9 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | trans | -159 | 144.8 | 177.5 | 67.2 | -168.3 | -51.9 | -165.2 | 11.1 | 110.6 | Y92 T124 Q130 L131 P132 D135 L167 | Y92-R126 HydrophobicContact CD2-CB 4.33Å; Y92-R126 HydrophobicContact CE2-CB 3.96Å; T124-R126 PolarHBondContact O-N 3.09Å; R126-Q130 PolarHBondContact NH2-O 3.1Å; R126-L131 HydrophobicContact CG-CD1 3.8Å; R126-P132 VanDerWaalsContact NH1-CD 3.32Å; R126-D135 IonicContact NH1-OD2 2.54Å; R126-D135 PolarHBondContact NH1-OD2 3.18Å; R126-L167 PolarHBondContact O-N 3.11Å | ||
| 127 | F | 94.5 | Very high | 93.4 | Very high | 72 Ų | 72 | 68.7 Ų | 68.7 | 32% | 0.316 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -78.4 | 149.9 | 173.3 | -68.7 | -79.3 | 0 | 0 | 0 | 111.7 | F88 W129 Q130 L131 L167 | F88-F127 AromaticContact CD1-CE1 3.77Å; F88-F127 HydrophobicContact CD1-CE1 3.77Å; F88-F127 HydrophobicContact CD1-CZ 4.2Å; F88-F127 HydrophobicContact CE1-CE1 4.17Å; F127-W129 HydrophobicContact CB-CG 4.37Å; F127-W129 HydrophobicContact CB-CZ2 4.47Å; F127-W129 VanDerWaalsContact CB-NE1 3.28Å; F127-W129 HydrophobicContact CD2-CZ2 4.48Å; F127-W129 AromaticContact CG-NE1 3.75Å; F127-W129 PolarHBondContact O-N 3.39Å; F127-Q130 HydrophobicContact CB-CG 4.26Å; F127-Q130 WeakPolarHBondContact O-CB 3.36Å; F127-Q130 PolarHBondContact O-N 3.2Å; F127-L131 WeakPolarHBondContact O-CD1 3.42Å; F127-L167 WeakPolarHBondContact CA-O 3.46Å; F127-L167 HydrophobicContact CD1-CB 3.82Å; F127-L167 HydrophobicContact CE1-CB 4.1Å; F127-L167 HydrophobicContact CG-CB 4.47Å |
| 128 | C | 94.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -55 | -35.4 | -178.3 | -63.4 | 0 | 0 | 0 | 0 | 113.6 | Q130 V160 C166 L167 N169 F172 | C128-Q130 VanDerWaalsContact C-N 3.3Å; C128-Q130 PolarHBondContact O-N 2.78Å; C128-V160 HydrophobicContact CB-CG2 3.82Å; C128-C166 WeakPolarHBondContact CA-SG 2.9Å; C128-C166 HydrophobicContact CB-CB 3.94Å; C128-C166 WeakPolarHBondContact CB-SG 3.36Å; C128-C166 VanDerWaalsContact SG-C 3.57Å; C128-C166 WeakPolarHBondContact SG-CB 3.38Å; C128-C166 CovalentContact SG-SG 2.04Å; C128-C166 PolarHBondContact SG-SG 3.49Å; C128-L167 PolarHBondContact N-O 2.89Å; C128-L167 PolarHBondContact SG-O 3Å; C128-N169 WeakPolarHBondContact CB-O 3.28Å; C128-F172 HydrophobicContact CB-CD1 4.33Å; C128-F172 HydrophobicContact CB-CE1 4.47Å; C128-F172 WeakPolarHBondContact O-CE1 3.48Å; C128-F172 WeakPolarHBondContact O-CZ 3.42Å |
| 129 | W | 94.9 | Very high | 93.9 | Very high | 164 Ų | 164 | 60.8 Ų | 60.8 | 62% | 0.621 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -77.9 | -9.2 | 178 | 60.7 | -91.7 | 0 | 0 | 0 | 114.5 | F127 F172 | F127-W129 HydrophobicContact CB-CG 4.37Å; F127-W129 HydrophobicContact CB-CZ2 4.47Å; F127-W129 VanDerWaalsContact CB-NE1 3.28Å; F127-W129 HydrophobicContact CD2-CZ2 4.48Å; F127-W129 AromaticContact CG-NE1 3.75Å; F127-W129 PolarHBondContact O-N 3.39Å; W129-F172 HydrophobicContact CB-CB 4.26Å; W129-F172 HydrophobicContact CB-CD1 4.27Å; W129-F172 HydrophobicContact CB-CD2 3.82Å; W129-F172 HydrophobicContact CB-CE2 4.21Å; W129-F172 HydrophobicContact CB-CG 3.86Å |
| 130 | Q | 95.3 | Very high | 93.8 | Very high | 58 Ų | 58 | 65 Ų | 65 | 27% | 0.271 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -100.6 | 12.2 | 176.6 | -60 | 178 | -58.4 | 0 | 0 | 112.7 | Y92 R126 F127 C128 | Y92-Q130 HydrophobicContact CE2-CB 4.19Å; R126-Q130 PolarHBondContact NH2-O 3.1Å; F127-Q130 HydrophobicContact CB-CG 4.26Å; F127-Q130 WeakPolarHBondContact O-CB 3.36Å; F127-Q130 PolarHBondContact O-N 3.2Å; C128-Q130 VanDerWaalsContact C-N 3.3Å; C128-Q130 PolarHBondContact O-N 2.78Å |
| 131 | L | 95 | Very high | 93.5 | Very high | 12 Ų | 12 | 60.8 Ų | 60.8 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -69.3 | 154.7 | 174.5 | -92 | 58.5 | 0 | 0 | 0 | 111.1 | R126 F127 D135 Y136 V160 V164 C166 | R126-L131 HydrophobicContact CG-CD1 3.8Å; F127-L131 WeakPolarHBondContact O-CD1 3.42Å; L131-D135 HydrophobicContact CB-CB 4.08Å; L131-D135 HydrophobicContact CD2-CB 3.75Å; L131-D135 HydrophobicContact CG-CB 4.02Å; L131-Y136 HydrophobicContact CB-CD1 3.84Å; L131-Y136 HydrophobicContact CB-CE1 4.31Å; L131-Y136 WeakPolarHBondContact O-CE1 3.41Å; L131-V160 HydrophobicContact CD2-CB 4.31Å; L131-V160 HydrophobicContact CD2-CG1 3.46Å; L131-V160 VanDerWaalsContact CD2-CG1 3.46Å; L131-V160 HydrophobicContact CD2-CG2 3.85Å; L131-V164 HydrophobicContact CD2-CB 4.46Å; L131-V164 HydrophobicContact CD2-CG1 3.62Å; L131-V164 HydrophobicContact CG-CG1 4.44Å; L131-C166 HydrophobicContact CD1-CB 3.88Å; L131-C166 HydrophobicContact CD2-CB 4.35Å |
| 132 | P | 94.9 | Very high | 93.3 | Very high | 51 Ų | 51 | 64.6 Ų | 64.6 | 33% | 0.331 | 33% | 0.334 | S | S | . | . | trans | -70.3 | 163.8 | 166.7 | 36.8 | -40.2 | 0 | 0 | 0 | 110.1 | R126 T134 D135 Y136 | R126-P132 VanDerWaalsContact NH1-CD 3.32Å; P132-T134 WeakPolarHBondContact CG-OG1 3.11Å; P132-T134 PolarHBondContact O-N 2.86Å; P132-T134 VanDerWaalsContact O-N 3.07Å; P132-D135 WeakPolarHBondContact CD-OD2 3.32Å; P132-D135 HydrophobicContact CG-CB 4.08Å; P132-D135 VanDerWaalsContact CG-CG 3.43Å; P132-D135 WeakPolarHBondContact CG-OD2 3.32Å; P132-D135 PolarHBondContact O-N 3.5Å; P132-D135 VanDerWaalsContact O-N 3.08Å; P132-Y136 WeakPolarHBondContact O-CD1 3.49Å; P132-Y136 WeakPolarHBondContact O-CE1 3.27Å | ||
| 133 | E | 93.4 | Very high | 92.8 | Very high | 141 Ų | 141 | 64.5 Ų | 64.5 | 66% | 0.659 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.1 | 179 | -76.1 | 172.2 | -174.7 | 0 | 0 | 114.5 | D135 Y136 K174 | E133-D135 VanDerWaalsContact C-N 3.34Å; E133-Y136 HydrophobicContact CG-CE2 4.38Å; E133-Y136 WeakPolarHBondContact CG-OH 3.07Å; E133-K174 IonicContact OE1-NZ 2.82Å; E133-K174 PolarHBondContact OE1-NZ 3.22Å |
| 134 | T | 94.6 | Very high | 92.7 | Very high | 95 Ų | 95 | 63.8 Ų | 63.8 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -27.3 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | P132 R161 | P132-T134 WeakPolarHBondContact CG-OG1 3.11Å; P132-T134 PolarHBondContact O-N 2.86Å; P132-T134 VanDerWaalsContact O-N 3.07Å; T134-R161 PolarHBondContact O-NE 3.38Å |
| 135 | D | 95.8 | Very high | 92.3 | Very high | 32 Ų | 32 | 65.2 Ų | 65.2 | 17% | 0.171 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -99.3 | -3.5 | -164.5 | -63.3 | -3 | 0 | 0 | 0 | 112.8 | R126 L131 P132 E133 R161 V164 | R126-D135 IonicContact NH1-OD2 2.54Å; R126-D135 PolarHBondContact NH1-OD2 3.18Å; L131-D135 HydrophobicContact CB-CB 4.08Å; L131-D135 HydrophobicContact CD2-CB 3.75Å; L131-D135 HydrophobicContact CG-CB 4.02Å; P132-D135 WeakPolarHBondContact CD-OD2 3.32Å; P132-D135 HydrophobicContact CG-CB 4.08Å; P132-D135 VanDerWaalsContact CG-CG 3.43Å; P132-D135 WeakPolarHBondContact CG-OD2 3.32Å; P132-D135 PolarHBondContact O-N 3.5Å; P132-D135 VanDerWaalsContact O-N 3.08Å; E133-D135 VanDerWaalsContact C-N 3.34Å; D135-R161 WeakPolarHBondContact O-CG 3.45Å; D135-R161 PolarHBondContact O-N 2.91Å; D135-V164 HydrophobicContact CB-CG1 4.32Å; D135-V164 HydrophobicContact CB-CG2 4.09Å |
| 136 | Y | 95.6 | Very high | 92 | Very high | 14 Ų | 14 | 65 Ų | 65 | 6% | 0.055 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 161.1 | 174.9 | 61.9 | -102.5 | 0 | 0 | 0 | 111 | L131 P132 E133 C138 C158 T159 F172 K174 | L131-Y136 HydrophobicContact CB-CD1 3.84Å; L131-Y136 HydrophobicContact CB-CE1 4.31Å; L131-Y136 WeakPolarHBondContact O-CE1 3.41Å; P132-Y136 WeakPolarHBondContact O-CD1 3.49Å; P132-Y136 WeakPolarHBondContact O-CE1 3.27Å; E133-Y136 HydrophobicContact CG-CE2 4.38Å; E133-Y136 WeakPolarHBondContact CG-OH 3.07Å; Y136-C138 WeakPolarHBondContact CD2-SG 3.42Å; Y136-C138 WeakPolarHBondContact CE2-SG 3.5Å; Y136-C158 HydrophobicContact CD2-CB 3.97Å; Y136-C158 HydrophobicContact CE2-CB 4.45Å; Y136-T159 CarbonylContact C-O 3.51Å; Y136-T159 WeakPolarHBondContact CA-O 3.48Å; Y136-T159 WeakPolarHBondContact CB-O 2.97Å; Y136-F172 AromaticContact CD1-CZ 3.86Å; Y136-F172 HydrophobicContact CD1-CZ 3.86Å; Y136-F172 HydrophobicContact CD2-CZ 4.33Å; Y136-F172 HydrophobicContact CE1-CZ 4.19Å; Y136-F172 AromaticContact CG-CZ 3.92Å; Y136-F172 HydrophobicContact CG-CZ 3.92Å; Y136-K174 PolarHBondContact OH-NZ 3.27Å |
| 137 | E | 96.2 | Very high | 91.5 | Very high | 125 Ų | 125 | 66.9 Ų | 66.9 | 58% | 0.584 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138 | 175.2 | -172.8 | 169 | 177.1 | 0 | 0 | 109.1 | C158 T159 | E137-C158 CarbonylContact O-C 3.53Å; E137-C158 WeakPolarHBondContact O-CA 3.37Å; E137-T159 PolarHBondContact N-O 2.96Å; E137-T159 PolarHBondContact O-N 3.02Å; E137-T159 PolarHBondContact O-OG1 3.4Å |
| 138 | C | 95.3 | Very high | 90.8 | Very high | 34 Ų | 34 | 64.9 Ų | 64.9 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 147.8 | -178.6 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | Y136 N140 A156 N157 C158 L176 | Y136-C138 WeakPolarHBondContact CD2-SG 3.42Å; Y136-C138 WeakPolarHBondContact CE2-SG 3.5Å; C138-N140 PolarHBondContact O-N 3.2Å; C138-A156 HydrophobicContact CB-CB 4.22Å; C138-N157 WeakPolarHBondContact CA-O 3.34Å; C138-C158 HydrophobicContact CB-CB 4.09Å; C138-C158 WeakPolarHBondContact CB-SG 3.35Å; C138-C158 WeakPolarHBondContact SG-CB 3.41Å; C138-C158 CovalentContact SG-SG 2.04Å; C138-C158 PolarHBondContact SG-SG 3.41Å; C138-L176 HydrophobicContact CB-CD1 3.59Å |
| 139 | T | 93.9 | Very high | 90.2 | Very high | 75 Ų | 75 | 71.3 Ų | 71.3 | 46% | 0.46 | 40% | 0.397 | S | S | . | . | trans | -62.7 | 129.5 | 173.2 | 55.6 | 0 | 0 | 0 | 0 | 111 | Y154 N157 | T139-Y154 PolarHBondContact O-OH 3.06Å; T139-Y154 VanDerWaalsContact O-OH 3.11Å; T139-N157 HydrophobicContact CG2-CB 4.32Å; T139-N157 PolarHBondContact N-O 2.94Å; T139-N157 PolarHBondContact OG1-N 3.41Å; T139-N157 VanDerWaalsContact OG1-N 3.1Å; T139-N157 PolarHBondContact OG1-O 3.24Å | ||
| 140 | N | 90.6 | Very high | 89.8 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 56% | 0.561 | 41% | 0.405 | S | S | * | . | trans | -85.9 | 142.2 | 170.8 | -159 | -17.2 | 0 | 0 | 0 | 110.3 | C138 | C138-N140 PolarHBondContact O-N 3.2Š| ||
| 141 | S | 86.4 | Confident | 89.4 | Confident | 28 Ų | 28 | 73.2 Ų | 73.2 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | trans | -113.2 | 130.6 | 174.3 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | S143 | S141-S143 PolarHBondContact OG-N 3Å; S141-S143 PolarHBondContact OG-OG 3.45Å | ||
| 142 | T | 85.5 | Confident | 89 | Confident | 90 Ų | 90 | 76.6 Ų | 76.6 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -92.1 | -11.4 | 175.1 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | C144 W180 | T142-C144 VanDerWaalsContact C-N 3.28Å; T142-C144 PolarHBondContact O-N 3.37Å; T142-W180 HydrophobicContact CG2-CD2 4.3Å; T142-W180 HydrophobicContact CG2-CG 4.18Å; T142-W180 HydrophobicContact CG2-CZ2 4.41Å; T142-W180 VanDerWaalsContact CG2-NE1 3.32Å |
| 143 | S | 82.8 | Confident | 88.9 | Confident | 110 Ų | 110 | 81.1 Ų | 81.1 | 77% | 0.769 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -87.8 | 11.5 | -173.1 | 61.9 | 0 | 0 | 0 | 0 | 114.2 | S141 | S141-S143 PolarHBondContact OG-N 3Å; S141-S143 PolarHBondContact OG-OG 3.45Å |
| 144 | C | 85.9 | Confident | 88.8 | Confident | 6 Ų | 6 | 75.6 Ų | 75.6 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -122.7 | 149.8 | -174.7 | 77.1 | 0 | 0 | 0 | 0 | 113.2 | T142 C178 | T142-C144 VanDerWaalsContact C-N 3.28Å; T142-C144 PolarHBondContact O-N 3.37Å; C144-C178 HydrophobicContact CB-CB 4.16Å; C144-C178 WeakPolarHBondContact CB-SG 3.46Å; C144-C178 WeakPolarHBondContact SG-CB 3.46Å; C144-C178 CovalentContact SG-SG 2.03Å; C144-C178 PolarHBondContact SG-SG 2.84Å |
| 145 | M | 85 | Confident | 88.8 | Confident | 97 Ų | 97 | 75.6 Ų | 75.6 | 48% | 0.478 | 42% | 0.418 | S | S | . | . | trans | -85.6 | 116.3 | -173.4 | -64.4 | 178.9 | 176.9 | 0 | 0 | 111 | S148 | M145-S148 PolarHBondContact O-OG 2.95Š| ||
| 146 | T | 86.9 | Confident | 88.7 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.018 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -73.6 | -37.6 | 178.1 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | C178 W180 G243 L245 | T146-C178 WeakPolarHBondContact CG2-O 3.49Å; T146-W180 PolarHBondContact OG1-N 2.89Å; T146-W180 VanDerWaalsContact OG1-N 3.09Å; T146-W180 PolarHBondContact OG1-O 3.01Å; T146-G243 WeakPolarHBondContact CA-O 3.46Å; T146-G243 WeakPolarHBondContact CB-O 3.44Å; T146-G243 PolarHBondContact N-O 3.27Å; T146-L245 HydrophobicContact CG2-CB 4.03Å; T146-L245 HydrophobicContact CG2-CD1 4.04Å |
| 147 | V | 83.9 | Confident | 88.8 | Confident | 91 Ų | 91 | 78.2 Ų | 78.2 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -103.7 | 83.9 | 179.6 | -169.4 | 0 | 0 | 0 | 0 | 109 | G243 | V147-G243 PolarHBondContact N-O 3.39Š|
| 148 | S | 80.9 | Confident | 88.8 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 21% | 0.21 | 41% | 0.405 | C | S | . | . | trans | -136.3 | 149.2 | 178.4 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | M145 P150 R151 Q152 | M145-S148 PolarHBondContact O-OG 2.95Å; S148-P150 CarbonylContact C-O 3.22Å; S148-P150 CarbonylContact O-C 3.53Å; S148-P150 VanDerWaalsContact O-C 3.23Å; S148-P150 PolarHBondContact OG-O 2.77Å; S148-R151 VanDerWaalsContact O-CA 3.3Å; S148-R151 WeakPolarHBondContact O-CA 3.49Å; S148-R151 PolarHBondContact O-N 3Å; S148-Q152 WeakPolarHBondContact OG-CB 3.28Å; S148-Q152 PolarHBondContact OG-N 2.03Å | ||
| 149 | C | 81.4 | Confident | 88.8 | Confident | 137 Ų | 137 | 73.8 Ų | 73.8 | 93% | 0.926 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -122.5 | 111.6 | 175.1 | -76.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 150 | P | 85.6 | Confident | 88.9 | Confident | 122 Ų | 122 | 70.5 Ų | 70.5 | 79% | 0.792 | 39% | 0.393 | S | S | * | . | S | Bend | cis | -69.5 | 158.4 | -2.2 | 31 | -35.8 | 0 | 0 | 0 | 112.8 | S148 Q152 | S148-P150 CarbonylContact C-O 3.22Å; S148-P150 CarbonylContact O-C 3.53Å; S148-P150 VanDerWaalsContact O-C 3.23Å; S148-P150 PolarHBondContact OG-O 2.77Å; P150-Q152 PolarHBondContact O-N 2.86Å |
| 151 | R | 87.2 | Confident | 89.1 | Confident | 140 Ų | 140 | 70.8 Ų | 70.8 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 118.3 | -177.3 | -132.2 | -175.4 | 170.4 | -171.5 | -3.9 | 111.1 | S148 Y177 | S148-R151 VanDerWaalsContact O-CA 3.3Å; S148-R151 WeakPolarHBondContact O-CA 3.49Å; S148-R151 PolarHBondContact O-N 3Å; R151-Y177 HydrophobicContact CB-CD1 4.33Å; R151-Y177 HydrophobicContact CB-CE1 4.25Å |
| 152 | Q | 88.3 | Confident | 89.3 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 39% | 0.388 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 141.7 | -176.4 | -169.3 | 176 | -11.8 | 0 | 0 | 111.9 | S148 P150 C178 | S148-Q152 WeakPolarHBondContact OG-CB 3.28Å; S148-Q152 PolarHBondContact OG-N 2.03Å; P150-Q152 PolarHBondContact O-N 2.86Å; Q152-C178 PolarHBondContact O-N 2.84Å |
| 153 | R | 91.6 | Very high | 89.5 | Confident | 146 Ų | 146 | 75.5 Ų | 75.5 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 150.7 | 171 | -66.8 | -179 | 174.8 | -178.9 | -1.2 | 109.7 | L176 Y177 | R153-L176 CarbonylContact C-O 3.55Å; R153-L176 WeakPolarHBondContact CA-O 3.3Å; R153-Y177 HydrophobicContact CG-CD1 3.8Å; R153-Y177 HydrophobicContact CG-CE1 3.83Å; R153-Y177 HydrophobicContact CG-CG 4.46Å; R153-Y177 PolarHBondContact NE-OH 3.49Å; R153-Y177 PolarHBondContact NH2-OH 2.78Å |
| 154 | Y | 91.6 | Very high | 89.9 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.5 | 176.2 | 75.4 | -82.3 | 0 | 0 | 0 | 111.1 | T139 A156 L176 C178 | T139-Y154 PolarHBondContact O-OH 3.06Å; T139-Y154 VanDerWaalsContact O-OH 3.11Å; Y154-A156 HydrophobicContact CD2-CB 4.23Å; Y154-A156 HydrophobicContact CE2-CB 3.6Å; Y154-A156 PolarHBondContact O-N 3.27Å; Y154-L176 HydrophobicContact CD1-CB 4.45Å; Y154-L176 WeakPolarHBondContact CD1-O 3.41Å; Y154-L176 HydrophobicContact CE1-CB 3.89Å; Y154-L176 PolarHBondContact N-O 3.01Å; Y154-L176 PolarHBondContact O-N 3.19Å; Y154-C178 HydrophobicContact CD1-CB 4.49Å; Y154-C178 VanDerWaalsContact CD1-SG 3.58Å |
| 155 | P | 94.2 | Very high | 90.2 | Very high | 95 Ų | 95 | 72.6 Ų | 72.6 | 62% | 0.617 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 118.4 | 171.8 | 30 | -32 | 0 | 0 | 0 | 109.2 | M175 | P155-M175 HydrophobicContact CB-CE 4.32Å; P155-M175 HydrophobicContact CB-SD 4.2Å |
| 156 | A | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 143.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | C138 Y154 P173 K174 L176 | C138-A156 HydrophobicContact CB-CB 4.22Å; Y154-A156 HydrophobicContact CD2-CB 4.23Å; Y154-A156 HydrophobicContact CE2-CB 3.6Å; Y154-A156 PolarHBondContact O-N 3.27Å; A156-P173 CarbonylContact O-C 3.23Å; A156-P173 WeakPolarHBondContact O-CA 3.37Å; A156-K174 PolarHBondContact N-O 3.24Å; A156-K174 PolarHBondContact O-N 2.89Å; A156-L176 HydrophobicContact CB-CB 4.47Å; A156-L176 HydrophobicContact CB-CD1 3.59Å; A156-L176 HydrophobicContact CB-CG 4.01Å |
| 157 | N | 96.3 | Very high | 90.9 | Very high | 101 Ų | 101 | 68.8 Ų | 68.8 | 54% | 0.54 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119.1 | 168.8 | -71.5 | -27.1 | 0 | 0 | 0 | 108.3 | C138 T139 | C138-N157 WeakPolarHBondContact CA-O 3.34Å; T139-N157 HydrophobicContact CG2-CB 4.32Å; T139-N157 PolarHBondContact N-O 2.94Å; T139-N157 PolarHBondContact OG1-N 3.41Å; T139-N157 VanDerWaalsContact OG1-N 3.1Å; T139-N157 PolarHBondContact OG1-O 3.24Å |
| 158 | C | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.7 | 179.1 | -59 | 0 | 0 | 0 | 0 | 110 | Y136 E137 C138 T171 F172 K174 | Y136-C158 HydrophobicContact CD2-CB 3.97Å; Y136-C158 HydrophobicContact CE2-CB 4.45Å; E137-C158 CarbonylContact O-C 3.53Å; E137-C158 WeakPolarHBondContact O-CA 3.37Å; C138-C158 HydrophobicContact CB-CB 4.09Å; C138-C158 WeakPolarHBondContact CB-SG 3.35Å; C138-C158 WeakPolarHBondContact SG-CB 3.41Å; C138-C158 CovalentContact SG-SG 2.04Å; C138-C158 PolarHBondContact SG-SG 3.41Å; C158-T171 CarbonylContact O-C 3.37Å; C158-T171 WeakPolarHBondContact O-CA 3.21Å; C158-F172 HydrophobicContact CB-CD2 4.05Å; C158-F172 HydrophobicContact CB-CE1 4.24Å; C158-F172 HydrophobicContact CB-CE2 3.62Å; C158-F172 HydrophobicContact CB-CZ 3.73Å; C158-F172 PolarHBondContact N-O 3.17Å; C158-F172 PolarHBondContact O-N 2.97Å; C158-K174 VanDerWaalsContact SG-CB 3.59Å |
| 159 | T | 96.4 | Very high | 91.9 | Very high | 66 Ų | 66 | 70.4 Ų | 70.4 | 41% | 0.405 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.5 | -179.8 | 59.5 | 0 | 0 | 0 | 0 | 109.5 | Y136 E137 T171 | Y136-T159 CarbonylContact C-O 3.51Å; Y136-T159 WeakPolarHBondContact CA-O 3.48Å; Y136-T159 WeakPolarHBondContact CB-O 2.97Å; E137-T159 PolarHBondContact N-O 2.96Å; E137-T159 PolarHBondContact O-N 3.02Å; E137-T159 PolarHBondContact O-OG1 3.4Å; T159-T171 HydrophobicContact CG2-CG2 3.73Å |
| 160 | V | 96.5 | Very high | 92.4 | Very high | 6 Ų | 6 | 65.7 Ų | 65.7 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 142.1 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | C128 L131 V164 R170 F172 | C128-V160 HydrophobicContact CB-CG2 3.82Å; L131-V160 HydrophobicContact CD2-CB 4.31Å; L131-V160 HydrophobicContact CD2-CG1 3.46Å; L131-V160 VanDerWaalsContact CD2-CG1 3.46Å; L131-V160 HydrophobicContact CD2-CG2 3.85Å; V160-V164 HydrophobicContact CG1-CB 3.85Å; V160-V164 HydrophobicContact CG1-CG1 4.18Å; V160-R170 PolarHBondContact N-O 3.29Å; V160-R170 PolarHBondContact O-NH2 3.08Å; V160-R170 VanDerWaalsContact O-NH2 3.17Å; V160-F172 HydrophobicContact CG2-CD1 4.5Å; V160-F172 HydrophobicContact CG2-CE1 3.8Å |
| 161 | R | 94.6 | Very high | 92.9 | Very high | 112 Ų | 112 | 63.4 Ų | 63.4 | 42% | 0.423 | 32% | 0.319 | S | S | . | . | trans | -63.7 | 148.3 | 176.6 | -65.9 | -176.3 | -176.5 | -92.7 | -1.6 | 111.8 | T134 D135 H163 V164 R170 | T134-R161 PolarHBondContact O-NE 3.38Å; D135-R161 WeakPolarHBondContact O-CG 3.45Å; D135-R161 PolarHBondContact O-N 2.91Å; R161-H163 VanDerWaalsContact C-N 3.3Å; R161-H163 PolarHBondContact O-N 3.46Å; R161-V164 HydrophobicContact CB-CG2 4.29Å; R161-V164 PolarHBondContact O-N 3.07Å; R161-R170 PolarHBondContact O-NH2 3.42Å | ||
| 162 | D | 90.5 | Very high | 93.3 | Very high | 82 Ų | 82 | 57.5 Ų | 57.5 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -32.1 | -170.3 | -66.5 | -19.6 | 0 | 0 | 0 | 115.2 | P78 A79 V164 | P78-D162 HydrophobicContact CB-CB 4.19Å; A79-D162 PolarHBondContact N-O 3.22Å; D162-V164 VanDerWaalsContact C-N 3.31Å |
| 163 | H | 89.1 | Confident | 93.7 | Very high | 135 Ų | 135 | 58.6 Ų | 58.6 | 63% | 0.625 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6 | 179.8 | 65.3 | -89.2 | 0 | 0 | 0 | 113.6 | R161 | R161-H163 VanDerWaalsContact C-N 3.3Å; R161-H163 PolarHBondContact O-N 3.46Å |
| 164 | V | 92.2 | Very high | 93.8 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 11% | 0.109 | 30% | 0.298 | C | S | . | . | trans | -102.1 | 118.6 | -179.1 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | L131 D135 V160 R161 D162 R170 | L131-V164 HydrophobicContact CD2-CB 4.46Å; L131-V164 HydrophobicContact CD2-CG1 3.62Å; L131-V164 HydrophobicContact CG-CG1 4.44Å; D135-V164 HydrophobicContact CB-CG1 4.32Å; D135-V164 HydrophobicContact CB-CG2 4.09Å; V160-V164 HydrophobicContact CG1-CB 3.85Å; V160-V164 HydrophobicContact CG1-CG1 4.18Å; R161-V164 HydrophobicContact CB-CG2 4.29Å; R161-V164 PolarHBondContact O-N 3.07Å; D162-V164 VanDerWaalsContact C-N 3.31Å; V164-R170 PolarHBondContact O-NH1 3.24Å | ||
| 165 | H | 91.8 | Very high | 93.9 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 17% | 0.171 | 32% | 0.322 | C | S | . | . | trans | -91.3 | 131.7 | 174.3 | -56.8 | -76.2 | 0 | 0 | 0 | 110.2 | L77 M123 | L77-H165 PolarHBondContact O-CE1 3.38Å; M123-H165 HydrophobicContact CB-CB 4.04Å; M123-H165 HydrophobicContact CE-CB 3.75Å; M123-H165 HydrophobicContact CG-CB 4.49Å; M123-H165 HydrophobicContact SD-CB 3.7Å | ||
| 166 | C | 93.4 | Very high | 93.8 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | trans | -149.3 | 161.4 | -176.5 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | C128 L131 | C128-C166 WeakPolarHBondContact CA-SG 2.9Å; C128-C166 HydrophobicContact CB-CB 3.94Å; C128-C166 WeakPolarHBondContact CB-SG 3.36Å; C128-C166 VanDerWaalsContact SG-C 3.57Å; C128-C166 WeakPolarHBondContact SG-CB 3.38Å; C128-C166 CovalentContact SG-SG 2.04Å; C128-C166 PolarHBondContact SG-SG 3.49Å; L131-C166 HydrophobicContact CD1-CB 3.88Å; L131-C166 HydrophobicContact CD2-CB 4.35Å | ||
| 167 | L | 93 | Very high | 93.6 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -88.2 | 141.2 | -179.3 | -62.5 | 166.6 | 0 | 0 | 0 | 111.7 | T86 F88 F98 R126 F127 C128 | T86-L167 HydrophobicContact CG2-CD2 3.93Å; F88-L167 HydrophobicContact CD1-CB 4.49Å; F88-L167 HydrophobicContact CE1-CB 4.39Å; F98-L167 HydrophobicContact CE1-CD2 3.9Å; F98-L167 HydrophobicContact CZ-CD2 3.88Å; R126-L167 PolarHBondContact O-N 3.11Å; F127-L167 WeakPolarHBondContact CA-O 3.46Å; F127-L167 HydrophobicContact CD1-CB 3.82Å; F127-L167 HydrophobicContact CE1-CB 4.1Å; F127-L167 HydrophobicContact CG-CB 4.47Å; C128-L167 PolarHBondContact N-O 2.89Å; C128-L167 PolarHBondContact SG-O 3Å |
| 168 | G | 91.8 | Very high | 93.3 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 45% | 0.454 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 87.8 | -157.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R170 | G168-R170 PolarHBondContact O-N 3.3Š|
| 169 | N | 93.3 | Very high | 92.9 | Very high | 112 Ų | 112 | 62.1 Ų | 62.1 | 60% | 0.599 | 32% | 0.324 | S | S | * | . | trans | -72.6 | 128.4 | -179.1 | -169.4 | 2.1 | 0 | 0 | 0 | 111.1 | C128 T171 | C128-N169 WeakPolarHBondContact CB-O 3.28Å; N169-T171 PolarHBondContact ND2-O 3Å; N169-T171 PolarHBondContact ND2-OG1 3.35Å; N169-T171 PolarHBondContact O-N 3.12Å; N169-T171 PolarHBondContact OD1-N 2.9Å; N169-T171 VanDerWaalsContact OD1-N 3.13Å; N169-T171 PolarHBondContact OD1-OG1 3.47Å | ||
| 170 | R | 93.2 | Very high | 92.5 | Very high | 37 Ų | 37 | 62.5 Ų | 62.5 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -71.8 | -19.4 | 178.5 | -63 | 179.4 | 61.5 | 70.4 | 2.1 | 112.9 | A79 D80 V160 R161 V164 G168 | A79-R170 VanDerWaalsContact CB-CZ 3.42Å; A79-R170 VanDerWaalsContact CB-NH1 3.28Å; D80-R170 IonicContact OD1-NE 3.25Å; V160-R170 PolarHBondContact N-O 3.29Å; V160-R170 PolarHBondContact O-NH2 3.08Å; V160-R170 VanDerWaalsContact O-NH2 3.17Å; R161-R170 PolarHBondContact O-NH2 3.42Å; V164-R170 PolarHBondContact O-NH1 3.24Å; G168-R170 PolarHBondContact O-N 3.3Å |
| 171 | T | 95.8 | Very high | 92.2 | Very high | 74 Ų | 74 | 64.9 Ų | 64.9 | 45% | 0.454 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124 | 173.3 | 63.3 | 0 | 0 | 0 | 0 | 109.6 | C158 T159 N169 | C158-T171 CarbonylContact O-C 3.37Å; C158-T171 WeakPolarHBondContact O-CA 3.21Å; T159-T171 HydrophobicContact CG2-CG2 3.73Å; N169-T171 PolarHBondContact ND2-O 3Å; N169-T171 PolarHBondContact ND2-OG1 3.35Å; N169-T171 PolarHBondContact O-N 3.12Å; N169-T171 PolarHBondContact OD1-N 2.9Å; N169-T171 VanDerWaalsContact OD1-N 3.13Å; N169-T171 PolarHBondContact OD1-OG1 3.47Å |
| 172 | F | 96 | Very high | 91.8 | Very high | 17 Ų | 17 | 60.9 Ų | 60.9 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 143.9 | -177.1 | 59.7 | -90.7 | 0 | 0 | 0 | 111.9 | C128 W129 Y136 C158 V160 K174 | C128-F172 HydrophobicContact CB-CD1 4.33Å; C128-F172 HydrophobicContact CB-CE1 4.47Å; C128-F172 WeakPolarHBondContact O-CE1 3.48Å; C128-F172 WeakPolarHBondContact O-CZ 3.42Å; W129-F172 HydrophobicContact CB-CB 4.26Å; W129-F172 HydrophobicContact CB-CD1 4.27Å; W129-F172 HydrophobicContact CB-CD2 3.82Å; W129-F172 HydrophobicContact CB-CE2 4.21Å; W129-F172 HydrophobicContact CB-CG 3.86Å; Y136-F172 AromaticContact CD1-CZ 3.86Å; Y136-F172 HydrophobicContact CD1-CZ 3.86Å; Y136-F172 HydrophobicContact CD2-CZ 4.33Å; Y136-F172 HydrophobicContact CE1-CZ 4.19Å; Y136-F172 AromaticContact CG-CZ 3.92Å; Y136-F172 HydrophobicContact CG-CZ 3.92Å; C158-F172 HydrophobicContact CB-CD2 4.05Å; C158-F172 HydrophobicContact CB-CE1 4.24Å; C158-F172 HydrophobicContact CB-CE2 3.62Å; C158-F172 HydrophobicContact CB-CZ 3.73Å; C158-F172 PolarHBondContact N-O 3.17Å; C158-F172 PolarHBondContact O-N 2.97Å; V160-F172 HydrophobicContact CG2-CD1 4.5Å; V160-F172 HydrophobicContact CG2-CE1 3.8Å; F172-K174 HydrophobicContact CE2-CB 4.39Å |
| 173 | P | 95.3 | Very high | 91.8 | Very high | 105 Ų | 105 | 59 Ų | 59 | 68% | 0.682 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 135.2 | 174.3 | 30.4 | -33.1 | 0 | 0 | 0 | 110.6 | A156 | A156-P173 CarbonylContact O-C 3.23Å; A156-P173 WeakPolarHBondContact O-CA 3.37Å |
| 174 | K | 94.4 | Very high | 91.9 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 138.7 | 172.7 | -165.2 | -179.3 | 178.8 | -162.7 | 0 | 110 | E133 Y136 A156 C158 F172 L176 | E133-K174 IonicContact OE1-NZ 2.82Å; E133-K174 PolarHBondContact OE1-NZ 3.22Å; Y136-K174 PolarHBondContact OH-NZ 3.27Å; A156-K174 PolarHBondContact N-O 3.24Å; A156-K174 PolarHBondContact O-N 2.89Å; C158-K174 VanDerWaalsContact SG-CB 3.59Å; F172-K174 HydrophobicContact CE2-CB 4.39Å; K174-L176 HydrophobicContact CD-CD2 3.98Å; K174-L176 HydrophobicContact CG-CD2 4.29Å; K174-L176 PolarHBondContact O-N 3.39Å |
| 175 | M | 93.1 | Very high | 92 | Very high | 120 Ų | 120 | 59 Ų | 59 | 59% | 0.591 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 113 | 172.3 | -69.8 | -67.7 | -178.2 | 0 | 0 | 109.5 | P155 | P155-M175 HydrophobicContact CB-CE 4.32Å; P155-M175 HydrophobicContact CB-SD 4.2Å |
| 176 | L | 92.2 | Very high | 92.1 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 156.6 | 177.6 | -64.4 | -179.6 | 0 | 0 | 0 | 110.8 | C138 R153 Y154 A156 K174 | C138-L176 HydrophobicContact CB-CD1 3.59Å; R153-L176 CarbonylContact C-O 3.55Å; R153-L176 WeakPolarHBondContact CA-O 3.3Å; Y154-L176 HydrophobicContact CD1-CB 4.45Å; Y154-L176 WeakPolarHBondContact CD1-O 3.41Å; Y154-L176 HydrophobicContact CE1-CB 3.89Å; Y154-L176 PolarHBondContact N-O 3.01Å; Y154-L176 PolarHBondContact O-N 3.19Å; A156-L176 HydrophobicContact CB-CB 4.47Å; A156-L176 HydrophobicContact CB-CD1 3.59Å; A156-L176 HydrophobicContact CB-CG 4.01Å; K174-L176 HydrophobicContact CD-CD2 3.98Å; K174-L176 HydrophobicContact CG-CD2 4.29Å; K174-L176 PolarHBondContact O-N 3.39Å |
| 177 | Y | 90.6 | Very high | 92.1 | Very high | 116 Ų | 116 | 64.8 Ų | 64.8 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 141.1 | 169.4 | -73.6 | -75.6 | 0 | 0 | 0 | 110.1 | R151 R153 N179 | R151-Y177 HydrophobicContact CB-CD1 4.33Å; R151-Y177 HydrophobicContact CB-CE1 4.25Å; R153-Y177 HydrophobicContact CG-CD1 3.8Å; R153-Y177 HydrophobicContact CG-CE1 3.83Å; R153-Y177 HydrophobicContact CG-CG 4.46Å; R153-Y177 PolarHBondContact NE-OH 3.49Å; R153-Y177 PolarHBondContact NH2-OH 2.78Å; Y177-N179 PolarHBondContact O-N 3.33Å |
| 178 | C | 89.5 | Confident | 92.2 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.014 | 37% | 0.366 | C | S | . | . | trans | -61.6 | 123.3 | 172.3 | -69.7 | 0 | 0 | 0 | 0 | 110.3 | C144 T146 Q152 Y154 | C144-C178 HydrophobicContact CB-CB 4.16Å; C144-C178 WeakPolarHBondContact CB-SG 3.46Å; C144-C178 WeakPolarHBondContact SG-CB 3.46Å; C144-C178 CovalentContact SG-SG 2.03Å; C144-C178 PolarHBondContact SG-SG 2.84Å; T146-C178 WeakPolarHBondContact CG2-O 3.49Å; Q152-C178 PolarHBondContact O-N 2.84Å; Y154-C178 HydrophobicContact CD1-CB 4.49Å; Y154-C178 VanDerWaalsContact CD1-SG 3.58Å | ||
| 179 | N | 88.9 | Confident | 92.3 | Very high | 102 Ų | 102 | 65 Ų | 65 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | trans | -141.2 | 84.1 | 175.9 | -169.6 | 10.4 | 0 | 0 | 0 | 108.7 | Y177 | Y177-N179 PolarHBondContact O-N 3.33Š| ||
| 180 | W | 88.1 | Confident | 92.3 | Very high | 75 Ų | 75 | 61.6 Ų | 61.6 | 28% | 0.284 | 33% | 0.326 | S | S | . | . | trans | -137.6 | 146.1 | 178.7 | -178.5 | 76.2 | 0 | 0 | 0 | 111.4 | T142 T146 G182 L245 | T142-W180 HydrophobicContact CG2-CD2 4.3Å; T142-W180 HydrophobicContact CG2-CG 4.18Å; T142-W180 HydrophobicContact CG2-CZ2 4.41Å; T142-W180 VanDerWaalsContact CG2-NE1 3.32Å; T146-W180 PolarHBondContact OG1-N 2.89Å; T146-W180 VanDerWaalsContact OG1-N 3.09Å; T146-W180 PolarHBondContact OG1-O 3.01Å; W180-G182 VanDerWaalsContact CH2-CA 3.43Å; W180-L245 PolarHBondContact O-N 3.44Å | ||
| 181 | T | 90.4 | Very high | 92.4 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 34% | 0.337 | 34% | 0.338 | S | S | . | . | trans | -117.4 | 128.1 | -177.3 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | G183 L245 I247 | T181-G183 VanDerWaalsContact C-N 3.28Å; T181-G183 PolarHBondContact O-N 3Å; T181-L245 HydrophobicContact CG2-CB 4.13Å; T181-L245 HydrophobicContact CG2-CD2 4.38Å; T181-I247 HydrophobicContact CG2-CD1 4.46Å; T181-I247 HydrophobicContact CG2-CG1 3.97Å | ||
| 182 | G | 86.2 | Confident | 92.3 | Very high | 28 Ų | 28 | 60.5 Ų | 60.5 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | trans | -85.9 | 7.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | W180 Y184 S244 | W180-G182 VanDerWaalsContact CH2-CA 3.43Å; G182-Y184 VanDerWaalsContact C-N 3.33Å; G182-S244 WeakPolarHBondContact CA-OG 3.26Å; G182-S244 PolarHBondContact N-OG 3Å; G182-S244 VanDerWaalsContact N-OG 3.08Å | ||
| 183 | G | 90 | Very high | 92.2 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 84.7 | 1.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T181 K185 | T181-G183 VanDerWaalsContact C-N 3.28Å; T181-G183 PolarHBondContact O-N 3Å; G183-K185 PolarHBondContact O-N 3.21Å |
| 184 | Y | 90.5 | Very high | 92 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 16% | 0.161 | 32% | 0.316 | C | S | . | . | trans | -73 | 124.7 | 177.9 | -58 | -80.3 | 0 | 0 | 0 | 110.8 | G182 Y205 P240 D242 Y246 I247 | G182-Y184 VanDerWaalsContact C-N 3.33Å; Y184-Y205 HydrophobicContact CD1-CE1 4.13Å; Y184-Y205 WeakPolarHBondContact CD1-O 3.34Å; Y184-Y205 WeakPolarHBondContact CE1-O 3.29Å; Y184-P240 HydrophobicContact CD2-CB 3.45Å; Y184-P240 VanDerWaalsContact CD2-CB 3.45Å; Y184-P240 HydrophobicContact CD2-CG 3.46Å; Y184-P240 VanDerWaalsContact CD2-CG 3.46Å; Y184-P240 HydrophobicContact CE2-CB 3.6Å; Y184-P240 HydrophobicContact CE2-CG 4.16Å; Y184-P240 HydrophobicContact CG-CB 3.95Å; Y184-P240 HydrophobicContact CG-CG 3.71Å; Y184-D242 WeakPolarHBondContact CE2-OD2 3.24Å; Y184-D242 PolarHBondContact OH-OD2 3.03Å; Y184-Y246 WeakPolarHBondContact O-CA 3.25Å; Y184-I247 PolarHBondContact O-N 3.24Å | ||
| 185 | K | 94.1 | Very high | 91.9 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | trans | -93.3 | 127.6 | 177.3 | -67 | -173.2 | 178.2 | -175.3 | 0 | 110.4 | G183 S187 T188 A189 Y205 I247 | G183-K185 PolarHBondContact O-N 3.21Å; K185-S187 VanDerWaalsContact C-N 3.3Å; K185-S187 PolarHBondContact O-N 3.41Å; K185-T188 PolarHBondContact O-N 3.2Å; K185-A189 PolarHBondContact O-N 2.96Å; K185-A189 VanDerWaalsContact O-N 3.12Å; K185-Y205 PolarHBondContact N-OH 2.87Å; K185-I247 WeakPolarHBondContact CA-O 3.47Å | ||
| 186 | W | 93.8 | Very high | 91.8 | Very high | 103 Ų | 103 | 59.5 Ų | 59.5 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 179.3 | 177.9 | 80.1 | 0 | 0 | 0 | 111.8 | T188 A189 L190 I233 Y246 I247 | W186-T188 VanDerWaalsContact C-N 3.3Å; W186-T188 PolarHBondContact O-N 3.36Å; W186-A189 PolarHBondContact O-N 3.49Å; W186-L190 HydrophobicContact CH2-CD1 3.75Å; W186-L190 HydrophobicContact CZ2-CD1 3.64Å; W186-L190 HydrophobicContact CZ3-CD1 4.41Å; W186-L190 WeakPolarHBondContact O-CB 3.29Å; W186-L190 PolarHBondContact O-N 2.75Å; W186-I233 PolarHBondContact NE1-O 3.32Å; W186-Y246 HydrophobicContact CB-CD1 4.1Å; W186-Y246 HydrophobicContact CB-CD2 4.48Å; W186-Y246 HydrophobicContact CB-CG 3.95Å; W186-I247 PolarHBondContact N-O 3.27Å |
| 187 | S | 93.9 | Very high | 91.4 | Very high | 73 Ų | 73 | 57.8 Ų | 57.8 | 51% | 0.51 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 179 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | K185 L190 A191 | K185-S187 VanDerWaalsContact C-N 3.3Å; K185-S187 PolarHBondContact O-N 3.41Å; S187-L190 PolarHBondContact O-N 3.03Å; S187-A191 WeakPolarHBondContact O-CB 3.22Å; S187-A191 PolarHBondContact O-N 3.32Å |
| 188 | T | 94.5 | Very high | 91.2 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.7 | -44 | 179.4 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | K185 W186 L190 A191 L192 Y205 | K185-T188 PolarHBondContact O-N 3.2Å; W186-T188 VanDerWaalsContact C-N 3.3Å; W186-T188 PolarHBondContact O-N 3.36Å; T188-L190 VanDerWaalsContact C-N 3.27Å; T188-L190 PolarHBondContact O-N 2.85Å; T188-A191 PolarHBondContact O-N 3.17Å; T188-L192 HydrophobicContact CG2-CD1 4.04Å; T188-L192 HydrophobicContact CG2-CG 4.34Å; T188-L192 WeakPolarHBondContact O-CB 3.4Å; T188-L192 VanDerWaalsContact O-CG 3.29Å; T188-L192 WeakPolarHBondContact O-CG 3.5Å; T188-L192 PolarHBondContact O-N 3.13Å; T188-Y205 HydrophobicContact CG2-CE1 4.4Å; T188-Y205 HydrophobicContact CG2-CE2 4.2Å |
| 189 | A | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | K185 W186 L192 S193 Y205 L206 I233 Y246 | K185-A189 PolarHBondContact O-N 2.96Å; K185-A189 VanDerWaalsContact O-N 3.12Å; W186-A189 PolarHBondContact O-N 3.49Å; A189-L192 PolarHBondContact O-N 2.73Å; A189-S193 WeakPolarHBondContact O-CB 3.46Å; A189-S193 PolarHBondContact O-N 3.49Å; A189-Y205 HydrophobicContact CB-CD1 3.97Å; A189-Y205 HydrophobicContact CB-CE1 4.06Å; A189-L206 HydrophobicContact CB-CD2 4.3Å; A189-I233 HydrophobicContact CB-CG2 4.15Å; A189-Y246 HydrophobicContact CB-CE1 4.31Å |
| 190 | L | 94.5 | Very high | 91.1 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 177.6 | -172.4 | 138.9 | 0 | 0 | 0 | 112.3 | W186 S187 T188 L192 S193 I194 I233 | W186-L190 HydrophobicContact CH2-CD1 3.75Å; W186-L190 HydrophobicContact CZ2-CD1 3.64Å; W186-L190 HydrophobicContact CZ3-CD1 4.41Å; W186-L190 WeakPolarHBondContact O-CB 3.29Å; W186-L190 PolarHBondContact O-N 2.75Å; S187-L190 PolarHBondContact O-N 3.03Å; T188-L190 VanDerWaalsContact C-N 3.27Å; T188-L190 PolarHBondContact O-N 2.85Å; L190-L192 VanDerWaalsContact C-N 3.35Å; L190-L192 PolarHBondContact O-N 3.09Å; L190-S193 WeakPolarHBondContact O-CB 3.46Å; L190-S193 PolarHBondContact O-N 3.12Å; L190-I194 HydrophobicContact CD2-CD1 3.64Å; L190-I194 HydrophobicContact CG-CD1 4.41Å; L190-I194 WeakPolarHBondContact O-CG1 3.38Å; L190-I194 PolarHBondContact O-N 2.67Å; L190-I194 VanDerWaalsContact O-N 3.07Å; L190-I233 HydrophobicContact CB-CG2 4.26Å |
| 191 | A | 95.6 | Very high | 91.3 | Very high | 48 Ų | 48 | 52 Ų | 52 | 40% | 0.397 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S187 T188 S193 I194 T195 | S187-A191 WeakPolarHBondContact O-CB 3.22Å; S187-A191 PolarHBondContact O-N 3.32Å; T188-A191 PolarHBondContact O-N 3.17Å; A191-S193 VanDerWaalsContact C-N 3.34Å; A191-I194 PolarHBondContact O-N 2.54Å; A191-T195 PolarHBondContact O-N 2.82Å; A191-T195 PolarHBondContact O-OG1 2.69Å |
| 192 | L | 93.4 | Very high | 91.3 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.7 | -35.7 | 175.5 | -71.6 | 175.8 | 0 | 0 | 0 | 111.9 | T188 A189 L190 L196 G197 Y205 | T188-L192 HydrophobicContact CG2-CD1 4.04Å; T188-L192 HydrophobicContact CG2-CG 4.34Å; T188-L192 WeakPolarHBondContact O-CB 3.4Å; T188-L192 VanDerWaalsContact O-CG 3.29Å; T188-L192 WeakPolarHBondContact O-CG 3.5Å; T188-L192 PolarHBondContact O-N 3.13Å; A189-L192 PolarHBondContact O-N 2.73Å; L190-L192 VanDerWaalsContact C-N 3.35Å; L190-L192 PolarHBondContact O-N 3.09Å; L192-L196 HydrophobicContact CD2-CD1 4.01Å; L192-L196 CarbonylContact O-C 3.53Å; L192-L196 VanDerWaalsContact O-C 3.22Å; L192-L196 VanDerWaalsContact O-CA 3.31Å; L192-L196 WeakPolarHBondContact O-CA 3.46Å; L192-L196 PolarHBondContact O-N 3.22Å; L192-G197 PolarHBondContact O-N 3.39Å; L192-Y205 HydrophobicContact CD1-CD1 4.31Å; L192-Y205 HydrophobicContact CD1-CD2 4Å; L192-Y205 HydrophobicContact CD1-CG 3.73Å |
| 193 | S | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 175.5 | -167.7 | 0 | 0 | 0 | 0 | 112 | A189 L190 A191 G197 D229 V230 | A189-S193 WeakPolarHBondContact O-CB 3.46Å; A189-S193 PolarHBondContact O-N 3.49Å; L190-S193 WeakPolarHBondContact O-CB 3.46Å; L190-S193 PolarHBondContact O-N 3.12Å; A191-S193 VanDerWaalsContact C-N 3.34Å; S193-G197 VanDerWaalsContact O-CA 3.23Å; S193-G197 WeakPolarHBondContact O-CA 3.35Å; S193-G197 PolarHBondContact O-N 2.88Å; S193-G197 VanDerWaalsContact O-N 3.13Å; S193-D229 VanDerWaalsContact OG-CB 3.31Å; S193-D229 WeakPolarHBondContact OG-CB 3.35Å; S193-V230 WeakPolarHBondContact OG-CG2 3.44Å; S193-V230 PolarHBondContact OG-N 3.15Å |
| 194 | I | 92.4 | Very high | 91.7 | Very high | 104 Ų | 104 | 50.2 Ų | 50.2 | 53% | 0.533 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.5 | -46.5 | 178.4 | -64.5 | 168.8 | 0 | 0 | 0 | 111.8 | L190 A191 V230 | L190-I194 HydrophobicContact CD2-CD1 3.64Å; L190-I194 HydrophobicContact CG-CD1 4.41Å; L190-I194 WeakPolarHBondContact O-CG1 3.38Å; L190-I194 PolarHBondContact O-N 2.67Å; L190-I194 VanDerWaalsContact O-N 3.07Å; A191-I194 PolarHBondContact O-N 2.54Å; I194-V230 HydrophobicContact CG1-CG1 4.47Å; I194-V230 HydrophobicContact CG1-CG2 3.7Å |
| 195 | T | 91.9 | Very high | 91.8 | Very high | 103 Ų | 103 | 51.5 Ų | 51.5 | 63% | 0.632 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -87.7 | -35.1 | -170.5 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | A191 | A191-T195 PolarHBondContact O-N 2.82Å; A191-T195 PolarHBondContact O-OG1 2.69Å |
| 196 | L | 90.1 | Very high | 91.7 | Very high | 77 Ų | 77 | 46.2 Ų | 46.2 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -134.1 | 11.4 | -170 | -67.9 | 166.7 | 0 | 0 | 0 | 112.8 | L192 G198 F199 G200 A201 | L192-L196 HydrophobicContact CD2-CD1 4.01Å; L192-L196 CarbonylContact O-C 3.53Å; L192-L196 VanDerWaalsContact O-C 3.22Å; L192-L196 VanDerWaalsContact O-CA 3.31Å; L192-L196 WeakPolarHBondContact O-CA 3.46Å; L192-L196 PolarHBondContact O-N 3.22Å; L196-G198 PolarHBondContact O-N 3.36Å; L196-F199 HydrophobicContact CD2-CD2 4.26Å; L196-F199 PolarHBondContact O-N 2.96Å; L196-F199 VanDerWaalsContact O-N 3.08Å; L196-G200 PolarHBondContact O-N 3.25Å; L196-A201 HydrophobicContact CB-CB 3.54Å; L196-A201 HydrophobicContact CD1-CB 4.4Å; L196-A201 PolarHBondContact O-N 2.94Å |
| 197 | G | 84.7 | Confident | 91.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -65.2 | -25.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L192 S193 F199 G200 | L192-G197 PolarHBondContact O-N 3.39Å; S193-G197 VanDerWaalsContact O-CA 3.23Å; S193-G197 WeakPolarHBondContact O-CA 3.35Å; S193-G197 PolarHBondContact O-N 2.88Å; S193-G197 VanDerWaalsContact O-N 3.13Å; G197-F199 PolarHBondContact O-N 2.99Å; G197-G200 WeakPolarHBondContact O-CA 3.23Å; G197-G200 PolarHBondContact O-N 3.35Å |
| 198 | G | 85.7 | Confident | 91.3 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -64.9 | -27.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L196 G220 | L196-G198 PolarHBondContact O-N 3.36Å; G198-G220 WeakPolarHBondContact O-CA 3.43Å; G198-G220 PolarHBondContact O-N 3.25Å |
| 199 | F | 88.9 | Confident | 91.1 | Very high | 129 Ų | 129 | 46 Ų | 46 | 57% | 0.566 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -92.7 | -0.2 | 173.1 | -59.4 | -77.2 | 0 | 0 | 0 | 112.7 | L196 G197 L216 | L196-F199 HydrophobicContact CD2-CD2 4.26Å; L196-F199 PolarHBondContact O-N 2.96Å; L196-F199 VanDerWaalsContact O-N 3.08Å; G197-F199 PolarHBondContact O-N 2.99Å; F199-L216 HydrophobicContact CB-CD1 4.08Å; F199-L216 HydrophobicContact CD1-CD1 3.98Å |
| 200 | G | 88.4 | Confident | 91 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 19.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L196 G197 D202 R203 F204 | L196-G200 PolarHBondContact O-N 3.25Å; G197-G200 WeakPolarHBondContact O-CA 3.23Å; G197-G200 PolarHBondContact O-N 3.35Å; G200-D202 WeakPolarHBondContact CA-OD1 3.39Å; G200-D202 PolarHBondContact O-N 3.29Å; G200-R203 PolarHBondContact O-N 3.41Å; G200-F204 WeakPolarHBondContact O-CD2 3.41Å; G200-F204 PolarHBondContact O-N 3.16Å |
| 201 | A | 91.9 | Very high | 90.7 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 21% | 0.207 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -31.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L196 Y205 | L196-A201 HydrophobicContact CB-CB 3.54Å; L196-A201 HydrophobicContact CD1-CB 4.4Å; L196-A201 PolarHBondContact O-N 2.94Å; A201-Y205 WeakPolarHBondContact O-CB 3.12Å; A201-Y205 PolarHBondContact O-N 3.47Å |
| 202 | D | 91 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 171.3 | 60.9 | -40 | 0 | 0 | 0 | 112.4 | G200 Y205 L206 K215 D229 I233 | G200-D202 WeakPolarHBondContact CA-OD1 3.39Å; G200-D202 PolarHBondContact O-N 3.29Å; D202-Y205 PolarHBondContact O-N 3.07Å; D202-L206 WeakPolarHBondContact O-CG 3.48Å; D202-L206 PolarHBondContact O-N 3.01Å; D202-L206 VanDerWaalsContact O-N 3.16Å; D202-K215 IonicContact OD1-NZ 3.73Å; D202-K215 PolarHBondContact OD1-NZ 3.04Å; D202-K215 IonicContact OD2-NZ 3.25Å; D202-K215 PolarHBondContact OD2-NZ 3.39Å; D202-D229 WeakPolarHBondContact OD2-CB 3.36Å; D202-I233 HydrophobicContact CB-CD1 4.08Å |
| 203 | R | 91.5 | Very high | 90.1 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72 | -39.5 | 178.1 | -63.9 | -72.6 | 166.6 | -139.9 | -6.6 | 112 | G200 Y205 L206 G207 Q208 E211 K215 D229 | G200-R203 PolarHBondContact O-N 3.41Å; R203-Y205 VanDerWaalsContact C-N 3.31Å; R203-L206 PolarHBondContact O-N 3.04Å; R203-G207 PolarHBondContact O-N 3.18Å; R203-Q208 HydrophobicContact CB-CB 4.28Å; R203-Q208 CarbonylContact O-C 3.6Å; R203-Q208 WeakPolarHBondContact O-CA 3.39Å; R203-Q208 PolarHBondContact O-N 3.35Å; R203-E211 WeakPolarHBondContact CD-OE2 3.34Å; R203-E211 HydrophobicContact CG-CB 4.36Å; R203-E211 IonicContact NE-OE2 3.71Å; R203-K215 HydrophobicContact CG-CD 4.12Å; R203-D229 IonicContact CZ-OD1 3.39Å; R203-D229 IonicContact NE-OD1 3.35Å; R203-D229 PolarHBondContact NE-OD1 3.46Å; R203-D229 IonicContact NH2-OD1 2.99Å; R203-D229 PolarHBondContact NH2-OD1 3.35Å |
| 204 | F | 92.7 | Very high | 89.9 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 37% | 0.368 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 172.8 | -71.5 | -66.9 | 0 | 0 | 0 | 111.6 | G200 L206 G207 W209 G212 L213 | G200-F204 WeakPolarHBondContact O-CD2 3.41Å; G200-F204 PolarHBondContact O-N 3.16Å; F204-L206 VanDerWaalsContact C-N 3.31Å; F204-L206 PolarHBondContact O-N 3.31Å; F204-G207 PolarHBondContact O-N 3.4Å; F204-W209 HydrophobicContact CD1-CB 3.96Å; F204-W209 HydrophobicContact CE1-CB 3.98Å; F204-W209 WeakPolarHBondContact CE1-O 3.31Å; F204-G212 VanDerWaalsContact CZ-C 3.44Å; F204-L213 HydrophobicContact CE1-CG 4.39Å; F204-L213 HydrophobicContact CZ-CG 4.09Å |
| 205 | Y | 92.3 | Very high | 89.7 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 176.1 | 178.6 | -107.9 | 0 | 0 | 0 | 112.5 | Y184 K185 T188 A189 L192 A201 D202 R203 G207 | Y184-Y205 HydrophobicContact CD1-CE1 4.13Å; Y184-Y205 WeakPolarHBondContact CD1-O 3.34Å; Y184-Y205 WeakPolarHBondContact CE1-O 3.29Å; K185-Y205 PolarHBondContact N-OH 2.87Å; T188-Y205 HydrophobicContact CG2-CE1 4.4Å; T188-Y205 HydrophobicContact CG2-CE2 4.2Å; A189-Y205 HydrophobicContact CB-CD1 3.97Å; A189-Y205 HydrophobicContact CB-CE1 4.06Å; L192-Y205 HydrophobicContact CD1-CD1 4.31Å; L192-Y205 HydrophobicContact CD1-CD2 4Å; L192-Y205 HydrophobicContact CD1-CG 3.73Å; A201-Y205 WeakPolarHBondContact O-CB 3.12Å; A201-Y205 PolarHBondContact O-N 3.47Å; D202-Y205 PolarHBondContact O-N 3.07Å; R203-Y205 VanDerWaalsContact C-N 3.31Å; Y205-G207 VanDerWaalsContact C-N 3.27Å; Y205-G207 PolarHBondContact O-N 3.3Å |
| 206 | L | 91 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 3.4 | 178.7 | -64.2 | 176.2 | 0 | 0 | 0 | 114.3 | A189 D202 R203 F204 Q208 V238 P240 A241 Y246 | A189-L206 HydrophobicContact CB-CD2 4.3Å; D202-L206 WeakPolarHBondContact O-CG 3.48Å; D202-L206 PolarHBondContact O-N 3.01Å; D202-L206 VanDerWaalsContact O-N 3.16Å; R203-L206 PolarHBondContact O-N 3.04Å; F204-L206 VanDerWaalsContact C-N 3.31Å; F204-L206 PolarHBondContact O-N 3.31Å; L206-Q208 VanDerWaalsContact C-N 3.3Å; L206-Q208 PolarHBondContact O-N 2.89Å; L206-V238 HydrophobicContact CD1-CG1 4.38Å; L206-P240 HydrophobicContact CD2-CG 4.26Å; L206-A241 WeakPolarHBondContact O-CB 3.35Å; L206-A241 PolarHBondContact O-N 3.3Å; L206-Y246 HydrophobicContact CD2-CE1 3.67Å; L206-Y246 VanDerWaalsContact CD2-OH 3.28Å; L206-Y246 WeakPolarHBondContact CD2-OH 3.36Å |
| 207 | G | 90 | Very high | 89.3 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 1.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | R203 F204 Y205 W209 | R203-G207 PolarHBondContact O-N 3.18Å; F204-G207 PolarHBondContact O-N 3.4Å; Y205-G207 VanDerWaalsContact C-N 3.27Å; Y205-G207 PolarHBondContact O-N 3.3Å; G207-W209 PolarHBondContact O-N 3.41Å |
| 208 | Q | 90.5 | Very high | 89.2 | Confident | 34 Ų | 34 | 58.6 Ų | 58.6 | 16% | 0.159 | 29% | 0.29 | C | S | . | . | trans | -85.5 | 56.9 | -180 | -62.6 | 169.3 | 9.9 | 0 | 0 | 111.3 | R203 L206 R210 E211 G212 G239 A241 | R203-Q208 HydrophobicContact CB-CB 4.28Å; R203-Q208 CarbonylContact O-C 3.6Å; R203-Q208 WeakPolarHBondContact O-CA 3.39Å; R203-Q208 PolarHBondContact O-N 3.35Å; L206-Q208 VanDerWaalsContact C-N 3.3Å; L206-Q208 PolarHBondContact O-N 2.89Å; Q208-R210 VanDerWaalsContact C-N 3.28Å; Q208-R210 PolarHBondContact O-N 3.15Å; Q208-E211 PolarHBondContact O-N 3.13Å; Q208-E211 PolarHBondContact OE1-OE2 3.18Å; Q208-G212 PolarHBondContact O-N 3.47Å; Q208-G212 VanDerWaalsContact O-N 3.08Å; Q208-G239 PolarHBondContact NE2-O 3.47Å; Q208-A241 HydrophobicContact CG-CB 4.04Å | ||
| 209 | W | 89.8 | Confident | 88.9 | Confident | 154 Ų | 154 | 66.6 Ų | 66.6 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.9 | -31.1 | -170.8 | 69 | -88.5 | 0 | 0 | 0 | 114.3 | F204 G207 G212 L213 | F204-W209 HydrophobicContact CD1-CB 3.96Å; F204-W209 HydrophobicContact CE1-CB 3.98Å; F204-W209 WeakPolarHBondContact CE1-O 3.31Å; G207-W209 PolarHBondContact O-N 3.41Å; W209-G212 PolarHBondContact O-N 3.14Å; W209-L213 HydrophobicContact CE3-CD1 3.41Å; W209-L213 VanDerWaalsContact CE3-CD1 3.41Å; W209-L213 HydrophobicContact CZ3-CD1 3.52Å; W209-L213 PolarHBondContact O-N 3.37Å |
| 210 | R | 91.5 | Very high | 88 | Confident | 174 Ų | 174 | 60.5 Ų | 60.5 | 66% | 0.657 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 177.9 | -65.4 | 174.6 | 69.2 | -155.9 | 1.6 | 111.5 | Q208 G214 | Q208-R210 VanDerWaalsContact C-N 3.28Å; Q208-R210 PolarHBondContact O-N 3.15Å; R210-G214 PolarHBondContact O-N 3.07Å |
| 211 | E | 88.1 | Confident | 87 | Confident | 111 Ų | 111 | 61.6 Ų | 61.6 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.3 | -37 | 176.3 | -64.5 | -175.3 | -173.9 | 0 | 0 | 111.5 | R203 Q208 L213 G214 K215 | R203-E211 WeakPolarHBondContact CD-OE2 3.34Å; R203-E211 HydrophobicContact CG-CB 4.36Å; R203-E211 IonicContact NE-OE2 3.71Å; Q208-E211 PolarHBondContact O-N 3.13Å; Q208-E211 PolarHBondContact OE1-OE2 3.18Å; E211-L213 PolarHBondContact O-N 3.22Å; E211-G214 PolarHBondContact O-N 3.14Å; E211-K215 PolarHBondContact O-N 3.01Å; E211-K215 VanDerWaalsContact O-N 3.14Å |
| 212 | G | 88.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.8 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | F204 Q208 W209 G214 K215 L216 | F204-G212 VanDerWaalsContact CZ-C 3.44Å; Q208-G212 PolarHBondContact O-N 3.47Å; Q208-G212 VanDerWaalsContact O-N 3.08Å; W209-G212 PolarHBondContact O-N 3.14Å; G212-G214 VanDerWaalsContact C-N 3.33Å; G212-G214 PolarHBondContact O-N 3.22Å; G212-K215 PolarHBondContact O-N 3.42Å; G212-L216 PolarHBondContact O-N 3.08Å |
| 213 | L | 89.6 | Confident | 85.8 | Confident | 58 Ų | 58 | 70.6 Ų | 70.6 | 30% | 0.304 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 174.8 | -81.7 | 159 | 0 | 0 | 0 | 112.4 | F204 W209 E211 K215 L216 F217 | F204-L213 HydrophobicContact CE1-CG 4.39Å; F204-L213 HydrophobicContact CZ-CG 4.09Å; W209-L213 HydrophobicContact CE3-CD1 3.41Å; W209-L213 VanDerWaalsContact CE3-CD1 3.41Å; W209-L213 HydrophobicContact CZ3-CD1 3.52Å; W209-L213 PolarHBondContact O-N 3.37Å; E211-L213 PolarHBondContact O-N 3.22Å; L213-K215 VanDerWaalsContact C-N 3.3Å; L213-K215 PolarHBondContact O-N 3.45Å; L213-L216 PolarHBondContact O-N 3.08Å; L213-F217 HydrophobicContact CB-CD2 4.49Å; L213-F217 HydrophobicContact CB-CE2 4.39Å; L213-F217 HydrophobicContact CD2-CE2 3.87Å; L213-F217 HydrophobicContact CD2-CZ 4.44Å; L213-F217 WeakPolarHBondContact O-CD2 3.45Å; L213-F217 PolarHBondContact O-N 3.23Å |
| 214 | G | 87.9 | Confident | 85.6 | Confident | 40 Ų | 40 | 75.8 Ų | 75.8 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R210 E211 G212 S218 | R210-G214 PolarHBondContact O-N 3.07Å; E211-G214 PolarHBondContact O-N 3.14Å; G212-G214 VanDerWaalsContact C-N 3.33Å; G212-G214 PolarHBondContact O-N 3.22Å; G214-S218 WeakPolarHBondContact O-CB 3.22Å; G214-S218 PolarHBondContact O-N 3.21Å; G214-S218 VanDerWaalsContact O-N 3.16Å; G214-S218 PolarHBondContact O-OG 3.37Å |
| 215 | K | 88.1 | Confident | 85.4 | Confident | 8 Ų | 8 | 77.4 Ų | 77.4 | 4% | 0.035 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 173.7 | -67.3 | -179.4 | -176.7 | -176.7 | 0 | 112.2 | D202 R203 E211 G212 L213 S218 F219 G220 D229 | D202-K215 IonicContact OD1-NZ 3.73Å; D202-K215 PolarHBondContact OD1-NZ 3.04Å; D202-K215 IonicContact OD2-NZ 3.25Å; D202-K215 PolarHBondContact OD2-NZ 3.39Å; R203-K215 HydrophobicContact CG-CD 4.12Å; E211-K215 PolarHBondContact O-N 3.01Å; E211-K215 VanDerWaalsContact O-N 3.14Å; G212-K215 PolarHBondContact O-N 3.42Å; L213-K215 VanDerWaalsContact C-N 3.3Å; L213-K215 PolarHBondContact O-N 3.45Å; K215-S218 WeakPolarHBondContact CA-OG 3.18Å; K215-S218 PolarHBondContact O-N 3.01Å; K215-S218 PolarHBondContact O-OG 3.01Å; K215-S218 VanDerWaalsContact O-OG 3.06Å; K215-F219 PolarHBondContact O-N 3.34Å; K215-G220 PolarHBondContact O-N 3.33Å; K215-D229 WeakPolarHBondContact CE-OD2 3.5Å; K215-D229 IonicContact NZ-OD1 2.69Å; K215-D229 PolarHBondContact NZ-OD1 2.98Å; K215-D229 IonicContact NZ-OD2 3.42Å; K215-D229 PolarHBondContact NZ-OD2 3.19Å |
| 216 | L | 87.3 | Confident | 85.3 | Confident | 74 Ų | 74 | 75.8 Ų | 75.8 | 39% | 0.387 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 179.8 | -165.7 | 75.3 | 0 | 0 | 0 | 111.9 | F199 G212 L213 S218 F219 | F199-L216 HydrophobicContact CB-CD1 4.08Å; F199-L216 HydrophobicContact CD1-CD1 3.98Å; G212-L216 PolarHBondContact O-N 3.08Å; L213-L216 PolarHBondContact O-N 3.08Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 3.2Å; L216-F219 PolarHBondContact O-N 3.45Å; L216-F219 VanDerWaalsContact O-N 3.13Å |
| 217 | F | 86.6 | Confident | 85.2 | Confident | 160 Ų | 160 | 81.9 Ų | 81.9 | 70% | 0.702 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -71.5 | -26 | 179.6 | -72 | -58.9 | 0 | 0 | 0 | 113.7 | L213 F219 | L213-F217 HydrophobicContact CB-CD2 4.49Å; L213-F217 HydrophobicContact CB-CE2 4.39Å; L213-F217 HydrophobicContact CD2-CE2 3.87Å; L213-F217 HydrophobicContact CD2-CZ 4.44Å; L213-F217 WeakPolarHBondContact O-CD2 3.45Å; L213-F217 PolarHBondContact O-N 3.23Å; F217-F219 PolarHBondContact O-N 3.16Å |
| 218 | S | 82.8 | Confident | 85.3 | Confident | 51 Ų | 51 | 83.7 Ų | 83.7 | 36% | 0.357 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 7.4 | 172.3 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | G214 K215 L216 G220 G221 | G214-S218 WeakPolarHBondContact O-CB 3.22Å; G214-S218 PolarHBondContact O-N 3.21Å; G214-S218 VanDerWaalsContact O-N 3.16Å; G214-S218 PolarHBondContact O-OG 3.37Å; K215-S218 WeakPolarHBondContact CA-OG 3.18Å; K215-S218 PolarHBondContact O-N 3.01Å; K215-S218 PolarHBondContact O-OG 3.01Å; K215-S218 VanDerWaalsContact O-OG 3.06Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 3.2Å; S218-G220 PolarHBondContact O-N 3.35Å; S218-G220 VanDerWaalsContact O-N 3.16Å; S218-G221 PolarHBondContact O-N 3.26Å |
| 219 | F | 79.3 | Confident | 85.3 | Confident | 188 Ų | 188 | 82.3 Ų | 82.3 | 83% | 0.825 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | 48.4 | 36.7 | -173.1 | -69.8 | -86.5 | 0 | 0 | 0 | 112.4 | K215 L216 F217 G221 | K215-F219 PolarHBondContact O-N 3.34Å; L216-F219 PolarHBondContact O-N 3.45Å; L216-F219 VanDerWaalsContact O-N 3.13Å; F217-F219 PolarHBondContact O-N 3.16Å; F219-G221 PolarHBondContact O-N 2.95Å; F219-G221 VanDerWaalsContact O-N 3.14Å |
| 220 | G | 69.6 | Low | 85.4 | Confident | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | 64.4 | 17.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | G198 K215 S218 L222 G223 | G198-G220 WeakPolarHBondContact O-CA 3.43Å; G198-G220 PolarHBondContact O-N 3.25Å; K215-G220 PolarHBondContact O-N 3.33Å; S218-G220 PolarHBondContact O-N 3.35Å; S218-G220 VanDerWaalsContact O-N 3.16Å; G220-L222 PolarHBondContact O-N 3.01Å; G220-G223 PolarHBondContact O-N 3.06Å; G220-G223 VanDerWaalsContact O-N 3.13Å |
| 221 | G | 68.1 | Low | 85.5 | Confident | 23 Ų | 23 | 74.2 Ų | 74.2 | 24% | 0.237 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | 44.9 | 52.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S218 F219 G223 I224 | S218-G221 PolarHBondContact O-N 3.26Å; F219-G221 PolarHBondContact O-N 2.95Å; F219-G221 VanDerWaalsContact O-N 3.14Å; G221-G223 PolarHBondContact O-N 3.45Å; G221-I224 PolarHBondContact O-N 3.42Å; G221-I224 VanDerWaalsContact O-N 3.15Å |
| 222 | L | 77.4 | Confident | 85.7 | Confident | 181 Ų | 181 | 71.3 Ų | 71.3 | 95% | 0.948 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | 56.8 | 22.3 | 175.7 | -62 | 167.9 | 0 | 0 | 0 | 115.1 | G220 | G220-L222 PolarHBondContact O-N 3.01Š|
| 223 | G | 80.1 | Confident | 85.8 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | 91 | 1.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G220 G221 T226 L227 | G220-G223 PolarHBondContact O-N 3.06Å; G220-G223 VanDerWaalsContact O-N 3.13Å; G221-G223 PolarHBondContact O-N 3.45Å; G223-T226 VanDerWaalsContact CA-OG1 3.22Å; G223-T226 WeakPolarHBondContact CA-OG1 3.31Å; G223-T226 PolarHBondContact O-OG1 3.06Å; G223-L227 PolarHBondContact O-N 2.84Å |
| 224 | I | 87.3 | Confident | 85.9 | Confident | 115 Ų | 115 | 70.1 Ų | 70.1 | 59% | 0.59 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.8 | -42.7 | 172.9 | -67.3 | 163.2 | 0 | 0 | 0 | 110.2 | G221 T226 L227 I228 | G221-I224 PolarHBondContact O-N 3.42Å; G221-I224 VanDerWaalsContact O-N 3.15Å; I224-T226 PolarHBondContact O-N 3.16Å; I224-L227 PolarHBondContact O-N 3.16Å; I224-I228 HydrophobicContact CG2-CD1 3.92Å; I224-I228 WeakPolarHBondContact O-CG1 3.49Å; I224-I228 PolarHBondContact O-N 3.43Å; I224-I228 VanDerWaalsContact O-N 3.12Å |
| 225 | W | 88.1 | Confident | 86.1 | Confident | 118 Ų | 118 | 73 Ų | 73 | 45% | 0.447 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.4 | -48.6 | 177.3 | -73.3 | 102.3 | 0 | 0 | 0 | 111.5 | L227 I228 D229 | W225-L227 PolarHBondContact O-N 2.86Å; W225-I228 PolarHBondContact O-N 3.13Å; W225-I228 VanDerWaalsContact O-N 3.09Å; W225-D229 VanDerWaalsContact C-OD2 3.29Å; W225-D229 VanDerWaalsContact O-CG 3.28Å; W225-D229 PolarHBondContact O-N 3.26Å |
| 226 | T | 89.1 | Confident | 86 | Confident | 34 Ų | 34 | 74.7 Ų | 74.7 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -53.4 | -40.8 | 176.6 | 45.2 | 0 | 0 | 0 | 0 | 112.8 | G223 I224 D229 V230 | G223-T226 VanDerWaalsContact CA-OG1 3.22Å; G223-T226 WeakPolarHBondContact CA-OG1 3.31Å; G223-T226 PolarHBondContact O-OG1 3.06Å; I224-T226 PolarHBondContact O-N 3.16Å; T226-D229 PolarHBondContact O-N 3.32Å; T226-V230 WeakPolarHBondContact O-CB 3.09Å; T226-V230 WeakPolarHBondContact O-CG2 3.18Å; T226-V230 PolarHBondContact O-N 3.45Å |
| 227 | L | 90.8 | Very high | 85.9 | Confident | 128 Ų | 128 | 80.1 Ų | 80.1 | 67% | 0.67 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -70.1 | -40.7 | -179 | -172 | 140.5 | 0 | 0 | 0 | 112 | G223 I224 W225 L231 | G223-L227 PolarHBondContact O-N 2.84Å; I224-L227 PolarHBondContact O-N 3.16Å; W225-L227 PolarHBondContact O-N 2.86Å; L227-L231 PolarHBondContact O-N 3.29Å |
| 228 | I | 90.7 | Very high | 86 | Confident | 73 Ų | 73 | 73.5 Ų | 73.5 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 175.4 | -65.8 | 169.6 | 0 | 0 | 0 | 110.3 | I224 W225 L231 L232 | I224-I228 HydrophobicContact CG2-CD1 3.92Å; I224-I228 WeakPolarHBondContact O-CG1 3.49Å; I224-I228 PolarHBondContact O-N 3.43Å; I224-I228 VanDerWaalsContact O-N 3.12Å; W225-I228 PolarHBondContact O-N 3.13Å; W225-I228 VanDerWaalsContact O-N 3.09Å; I228-L231 WeakPolarHBondContact O-CB 3Å; I228-L231 PolarHBondContact O-N 3.26Å; I228-L232 HydrophobicContact CG2-CD1 3.66Å; I228-L232 HydrophobicContact CG2-CG 4.15Å; I228-L232 WeakPolarHBondContact O-CB 3.48Å; I228-L232 VanDerWaalsContact O-CG 3.29Å; I228-L232 WeakPolarHBondContact O-CG 3.38Å; I228-L232 PolarHBondContact O-N 3.25Å |
| 229 | D | 90.1 | Very high | 86.2 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | -178.3 | -65.7 | -60.6 | 0 | 0 | 0 | 112.9 | S193 D202 R203 K215 W225 T226 L231 L232 I233 | S193-D229 VanDerWaalsContact OG-CB 3.31Å; S193-D229 WeakPolarHBondContact OG-CB 3.35Å; D202-D229 WeakPolarHBondContact OD2-CB 3.36Å; R203-D229 IonicContact CZ-OD1 3.39Å; R203-D229 IonicContact NE-OD1 3.35Å; R203-D229 PolarHBondContact NE-OD1 3.46Å; R203-D229 IonicContact NH2-OD1 2.99Å; R203-D229 PolarHBondContact NH2-OD1 3.35Å; K215-D229 WeakPolarHBondContact CE-OD2 3.5Å; K215-D229 IonicContact NZ-OD1 2.69Å; K215-D229 PolarHBondContact NZ-OD1 2.98Å; K215-D229 IonicContact NZ-OD2 3.42Å; K215-D229 PolarHBondContact NZ-OD2 3.19Å; W225-D229 VanDerWaalsContact C-OD2 3.29Å; W225-D229 VanDerWaalsContact O-CG 3.28Å; W225-D229 PolarHBondContact O-N 3.26Å; T226-D229 PolarHBondContact O-N 3.32Å; D229-L231 VanDerWaalsContact C-N 3.27Å; D229-L231 PolarHBondContact O-N 3.15Å; D229-L232 PolarHBondContact O-N 2.97Å; D229-I233 WeakPolarHBondContact O-CB 3.42Å; D229-I233 WeakPolarHBondContact O-CG1 3.41Å; D229-I233 PolarHBondContact O-N 3.48Å |
| 230 | V | 93.2 | Very high | 86.7 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 29% | 0.291 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 174.6 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | S193 I194 T226 G234 | S193-V230 WeakPolarHBondContact OG-CG2 3.44Å; S193-V230 PolarHBondContact OG-N 3.15Å; I194-V230 HydrophobicContact CG1-CG1 4.47Å; I194-V230 HydrophobicContact CG1-CG2 3.7Å; T226-V230 WeakPolarHBondContact O-CB 3.09Å; T226-V230 WeakPolarHBondContact O-CG2 3.18Å; T226-V230 PolarHBondContact O-N 3.45Å; V230-G234 WeakPolarHBondContact O-CA 3.44Å; V230-G234 PolarHBondContact O-N 3.44Å |
| 231 | L | 93.8 | Very high | 87.6 | Confident | 111 Ų | 111 | 65.8 Ų | 65.8 | 58% | 0.581 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.1 | -49.8 | 175.2 | -177.5 | 66.7 | 0 | 0 | 0 | 111.3 | L227 I228 D229 G234 V235 | L227-L231 PolarHBondContact O-N 3.29Å; I228-L231 WeakPolarHBondContact O-CB 3Å; I228-L231 PolarHBondContact O-N 3.26Å; D229-L231 VanDerWaalsContact C-N 3.27Å; D229-L231 PolarHBondContact O-N 3.15Å; L231-G234 PolarHBondContact O-N 3.39Å; L231-V235 HydrophobicContact CD1-CG1 4.31Å; L231-V235 WeakPolarHBondContact O-CG1 3.17Å; L231-V235 WeakPolarHBondContact O-CG2 3.44Å; L231-V235 PolarHBondContact O-N 2.93Å |
| 232 | L | 91.3 | Very high | 88.4 | Confident | 49 Ų | 49 | 68.6 Ų | 68.6 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | -175.9 | -72.9 | 176.1 | 0 | 0 | 0 | 113.5 | I228 D229 G236 Y237 V238 | I228-L232 HydrophobicContact CG2-CD1 3.66Å; I228-L232 HydrophobicContact CG2-CG 4.15Å; I228-L232 WeakPolarHBondContact O-CB 3.48Å; I228-L232 VanDerWaalsContact O-CG 3.29Å; I228-L232 WeakPolarHBondContact O-CG 3.38Å; I228-L232 PolarHBondContact O-N 3.25Å; D229-L232 PolarHBondContact O-N 2.97Å; L232-G236 PolarHBondContact O-N 3.49Å; L232-Y237 HydrophobicContact CD2-CD1 3.9Å; L232-Y237 HydrophobicContact CD2-CG 4.37Å; L232-Y237 PolarHBondContact O-N 3.01Å; L232-V238 HydrophobicContact CB-CG2 4.01Å; L232-V238 HydrophobicContact CD1-CG2 4.3Å; L232-V238 PolarHBondContact O-N 3.46Å |
| 233 | I | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.6 | -39.6 | 174.5 | -64.8 | 169 | 0 | 0 | 0 | 109.5 | W186 A189 L190 D202 D229 V235 G236 | W186-I233 PolarHBondContact NE1-O 3.32Å; A189-I233 HydrophobicContact CB-CG2 4.15Å; L190-I233 HydrophobicContact CB-CG2 4.26Å; D202-I233 HydrophobicContact CB-CD1 4.08Å; D229-I233 WeakPolarHBondContact O-CB 3.42Å; D229-I233 WeakPolarHBondContact O-CG1 3.41Å; D229-I233 PolarHBondContact O-N 3.48Å; I233-V235 PolarHBondContact O-N 3.32Å; I233-G236 PolarHBondContact O-N 2.93Å |
| 234 | G | 90.6 | Very high | 89.2 | Confident | 34 Ų | 34 | 58.8 Ų | 58.8 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V230 L231 G236 | V230-G234 WeakPolarHBondContact O-CA 3.44Å; V230-G234 PolarHBondContact O-N 3.44Å; L231-G234 PolarHBondContact O-N 3.39Å; G234-G236 VanDerWaalsContact C-N 3.28Å |
| 235 | V | 91.4 | Very high | 89.2 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 61% | 0.612 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4.3 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | L231 I233 Y237 | L231-V235 HydrophobicContact CD1-CG1 4.31Å; L231-V235 WeakPolarHBondContact O-CG1 3.17Å; L231-V235 WeakPolarHBondContact O-CG2 3.44Å; L231-V235 PolarHBondContact O-N 2.93Å; I233-V235 PolarHBondContact O-N 3.32Å; V235-Y237 VanDerWaalsContact C-N 3.27Å; V235-Y237 PolarHBondContact O-N 3.01Å |
| 236 | G | 86.3 | Confident | 89.3 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 44% | 0.443 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 19 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L232 I233 G234 | L232-G236 PolarHBondContact O-N 3.49Å; I233-G236 PolarHBondContact O-N 2.93Å; G234-G236 VanDerWaalsContact C-N 3.28Å |
| 237 | Y | 86.7 | Confident | 89.3 | Confident | 187 Ų | 187 | 57.5 Ų | 57.5 | 73% | 0.733 | 33% | 0.326 | S | S | * | . | trans | -70.1 | -35.2 | 178.2 | -176.6 | -97.9 | 0 | 0 | 0 | 111.5 | L232 V235 | L232-Y237 HydrophobicContact CD2-CD1 3.9Å; L232-Y237 HydrophobicContact CD2-CG 4.37Å; L232-Y237 PolarHBondContact O-N 3.01Å; V235-Y237 VanDerWaalsContact C-N 3.27Å; V235-Y237 PolarHBondContact O-N 3.01Å | ||
| 238 | V | 87.9 | Confident | 89.2 | Confident | 22 Ų | 22 | 54 Ų | 54 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -103.2 | 119.8 | 175.9 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | L206 L232 Y246 | L206-V238 HydrophobicContact CD1-CG1 4.38Å; L232-V238 HydrophobicContact CB-CG2 4.01Å; L232-V238 HydrophobicContact CD1-CG2 4.3Å; L232-V238 PolarHBondContact O-N 3.46Å; V238-Y246 WeakPolarHBondContact O-CE2 3.41Å; V238-Y246 PolarHBondContact O-OH 2.92Å |
| 239 | G | 87.1 | Confident | 89.1 | Confident | 19 Ų | 19 | 53 Ų | 53 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | trans | -103.4 | 179.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q208 | Q208-G239 PolarHBondContact NE2-O 3.47Š| ||
| 240 | P | 90.3 | Very high | 89.1 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | trans | -57 | 147.8 | 171.2 | -21.4 | 33.1 | 0 | 0 | 0 | 112.5 | Y184 L206 D242 G243 S244 Y246 | Y184-P240 HydrophobicContact CD2-CB 3.45Å; Y184-P240 VanDerWaalsContact CD2-CB 3.45Å; Y184-P240 HydrophobicContact CD2-CG 3.46Å; Y184-P240 VanDerWaalsContact CD2-CG 3.46Å; Y184-P240 HydrophobicContact CE2-CB 3.6Å; Y184-P240 HydrophobicContact CE2-CG 4.16Å; Y184-P240 HydrophobicContact CG-CB 3.95Å; Y184-P240 HydrophobicContact CG-CG 3.71Å; L206-P240 HydrophobicContact CD2-CG 4.26Å; P240-D242 PolarHBondContact O-N 2.95Å; P240-G243 PolarHBondContact O-N 3.25Å; P240-S244 WeakPolarHBondContact CD-O 3.27Å; P240-Y246 HydrophobicContact CG-CD1 4.4Å; P240-Y246 HydrophobicContact CG-CE1 4.12Å | ||
| 241 | A | 87.9 | Confident | 88.8 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 42% | 0.421 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L206 Q208 G243 | L206-A241 WeakPolarHBondContact O-CB 3.35Å; L206-A241 PolarHBondContact O-N 3.3Å; Q208-A241 HydrophobicContact CG-CB 4.04Å; A241-G243 PolarHBondContact O-N 3.24Å |
| 242 | D | 84.7 | Confident | 88.5 | Confident | 82 Ų | 82 | 52.8 Ų | 52.8 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -3.7 | 178.4 | -51.6 | -46.2 | 0 | 0 | 0 | 113 | Y184 P240 S244 | Y184-D242 WeakPolarHBondContact CE2-OD2 3.24Å; Y184-D242 PolarHBondContact OH-OD2 3.03Å; P240-D242 PolarHBondContact O-N 2.95Å; D242-S244 PolarHBondContact O-N 3.34Å |
| 243 | G | 84.4 | Confident | 88.4 | Confident | 8 Ų | 8 | 53 Ų | 53 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | trans | 69.1 | 15.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | T146 V147 P240 A241 | T146-G243 WeakPolarHBondContact CA-O 3.46Å; T146-G243 WeakPolarHBondContact CB-O 3.44Å; T146-G243 PolarHBondContact N-O 3.27Å; V147-G243 PolarHBondContact N-O 3.39Å; P240-G243 PolarHBondContact O-N 3.25Å; A241-G243 PolarHBondContact O-N 3.24Å | ||
| 244 | S | 89 | Confident | 88.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -78 | 160.1 | 178.2 | 73.3 | 0 | 0 | 0 | 0 | 112.5 | G182 P240 D242 | G182-S244 WeakPolarHBondContact CA-OG 3.26Å; G182-S244 PolarHBondContact N-OG 3Å; G182-S244 VanDerWaalsContact N-OG 3.08Å; P240-S244 WeakPolarHBondContact CD-O 3.27Å; D242-S244 PolarHBondContact O-N 3.34Å |
| 245 | L | 88.6 | Confident | 87.9 | Confident | 71 Ų | 71 | 58.5 Ų | 58.5 | 37% | 0.372 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 143 | 177.2 | -164.7 | 119.6 | 0 | 0 | 0 | 111 | T146 W180 T181 | T146-L245 HydrophobicContact CG2-CB 4.03Å; T146-L245 HydrophobicContact CG2-CD1 4.04Å; W180-L245 PolarHBondContact O-N 3.44Å; T181-L245 HydrophobicContact CG2-CB 4.13Å; T181-L245 HydrophobicContact CG2-CD2 4.38Å |
| 246 | Y | 88.8 | Confident | 87.6 | Confident | 38 Ų | 38 | 55 Ų | 55 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 146.1 | 171.3 | -74.6 | -66.3 | 0 | 0 | 0 | 111.8 | Y184 W186 A189 L206 V238 P240 | Y184-Y246 WeakPolarHBondContact O-CA 3.25Å; W186-Y246 HydrophobicContact CB-CD1 4.1Å; W186-Y246 HydrophobicContact CB-CD2 4.48Å; W186-Y246 HydrophobicContact CB-CG 3.95Å; A189-Y246 HydrophobicContact CB-CE1 4.31Å; L206-Y246 HydrophobicContact CD2-CE1 3.67Å; L206-Y246 VanDerWaalsContact CD2-OH 3.28Å; L206-Y246 WeakPolarHBondContact CD2-OH 3.36Å; V238-Y246 WeakPolarHBondContact O-CE2 3.41Å; V238-Y246 PolarHBondContact O-OH 2.92Å; P240-Y246 HydrophobicContact CG-CD1 4.4Å; P240-Y246 HydrophobicContact CG-CE1 4.12Å |
| 247 | I | 89.9 | Confident | 87.8 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 67% | 0.672 | 30% | 0.295 | S | S | * | . | trans | -96.8 | 0 | 169.1 | -66.5 | 172.5 | 0 | 0 | 0 | 110.3 | T181 Y184 K185 W186 | T181-I247 HydrophobicContact CG2-CD1 4.46Å; T181-I247 HydrophobicContact CG2-CG1 3.97Å; Y184-I247 PolarHBondContact O-N 3.24Å; K185-I247 WeakPolarHBondContact CA-O 3.47Å; W186-I247 PolarHBondContact N-O 3.27Å |
Retrieved 247 of 247 residues in 841.7 ms
(Link to these results)