| 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 | 48.5 | Very low | 69.2 | Low | 251 Ų | 251 | 129 Ų | 129 | 100% | 1.236 | 67% | 0.672 | S | S | * | * | 0 | 108.8 | 0 | -77.7 | 169.2 | 154.9 | 0 | 0 | 107.9 | |||||
| 2 | G | 64.6 | Low | 70.6 | Confident | 52 Ų | 52 | 126.8 Ų | 126.8 | 54% | 0.536 | 66% | 0.661 | S | S | . | * | trans | -131 | 62.4 | -159.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F6 | G2-F6 WeakPolarHBondContact O-CE2 3.24Š| ||
| 3 | F | 58.5 | Low | 71.5 | Confident | 171 Ų | 171 | 121.1 Ų | 121.1 | 75% | 0.75 | 64% | 0.638 | S | S | * | * | trans | -116.1 | 2 | 177.6 | -67.2 | -75.2 | 0 | 0 | 0 | 115.1 | K5 F6 | F3-K5 VanDerWaalsContact C-N 3.25Å; F3-K5 PolarHBondContact O-N 2.66Å; F3-F6 AromaticContact CD1-CD2 3.76Å; F3-F6 HydrophobicContact CD1-CD2 3.76Å; F3-F6 AromaticContact CD1-CE2 3.86Å; F3-F6 HydrophobicContact CD1-CE2 3.86Å; F3-F6 HydrophobicContact CE1-CE2 4.27Å | ||
| 4 | Q | 59.2 | Low | 72.4 | Confident | 181 Ų | 181 | 119.7 Ų | 119.7 | 85% | 0.846 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -18.3 | -179.7 | -158.7 | 170.8 | 10.2 | 0 | 0 | 113.4 | ||
| 5 | K | 62.6 | Low | 73.2 | Confident | 173 Ų | 173 | 117.9 Ų | 117.9 | 75% | 0.752 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -17.4 | -178.1 | -69.1 | 171.6 | 134.5 | 172.4 | 0 | 113.9 | F3 P8 | F3-K5 VanDerWaalsContact C-N 3.25Å; F3-K5 PolarHBondContact O-N 2.66Å; K5-P8 WeakPolarHBondContact O-CD 3.47Å |
| 6 | F | 64.3 | Low | 73.9 | Confident | 122 Ų | 122 | 116 Ų | 116 | 54% | 0.535 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -85.1 | -14.9 | 180 | -61 | -72.7 | 0 | 0 | 0 | 112.7 | G2 F3 F9 L10 | G2-F6 WeakPolarHBondContact O-CE2 3.24Å; F3-F6 AromaticContact CD1-CD2 3.76Å; F3-F6 HydrophobicContact CD1-CD2 3.76Å; F3-F6 AromaticContact CD1-CE2 3.86Å; F3-F6 HydrophobicContact CD1-CE2 3.86Å; F3-F6 HydrophobicContact CE1-CE2 4.27Å; F6-F9 PolarHBondContact O-N 3.5Å; F6-L10 VanDerWaalsContact O-CB 3.22Å; F6-L10 WeakPolarHBondContact O-CB 3.23Å; F6-L10 PolarHBondContact O-N 3.29Å |
| 7 | S | 74.5 | Confident | 74.4 | Confident | 80 Ų | 80 | 116.4 Ų | 116.4 | 56% | 0.559 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -55.8 | -48.8 | 178.6 | -168.7 | 0 | 0 | 0 | 0 | 113.9 | A11 | S7-A11 WeakPolarHBondContact O-CB 3.28Å; S7-A11 PolarHBondContact O-N 2.88Å |
| 8 | P | 78.8 | Confident | 74.4 | Confident | 72 Ų | 72 | 115.7 Ų | 115.7 | 47% | 0.468 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.3 | -38.3 | 178.5 | 26.8 | -35.1 | 0 | 0 | 0 | 111.8 | K5 A11 L12 | K5-P8 WeakPolarHBondContact O-CD 3.47Å; P8-A11 PolarHBondContact O-N 3.09Å; P8-L12 WeakPolarHBondContact O-CB 3.29Å; P8-L12 WeakPolarHBondContact O-CG 3.38Å; P8-L12 PolarHBondContact O-N 2.83Å |
| 9 | F | 83 | Confident | 74.2 | Confident | 152 Ų | 152 | 116.5 Ų | 116.5 | 67% | 0.667 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.8 | -39.4 | 177.8 | -78.4 | -79.8 | 0 | 0 | 0 | 112.5 | F6 L12 S13 | F6-F9 PolarHBondContact O-N 3.5Å; F9-L12 PolarHBondContact O-N 3.31Å; F9-S13 WeakPolarHBondContact O-CB 3.3Å; F9-S13 PolarHBondContact O-N 3.33Å; F9-S13 PolarHBondContact O-OG 3.48Å |
| 10 | L | 83.2 | Confident | 74 | Confident | 106 Ų | 106 | 114.1 Ų | 114.1 | 56% | 0.555 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.6 | -48.2 | 175.8 | -175.4 | 70.3 | 0 | 0 | 0 | 110.3 | F6 L12 S13 I14 | F6-L10 VanDerWaalsContact O-CB 3.22Å; F6-L10 WeakPolarHBondContact O-CB 3.23Å; F6-L10 PolarHBondContact O-N 3.29Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.49Å; L10-S13 PolarHBondContact O-N 2.89Å; L10-S13 PolarHBondContact O-OG 2.89Å; L10-I14 HydrophobicContact CD1-CD1 4.36Å; L10-I14 HydrophobicContact CG-CD1 3.97Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.26Å; L10-I14 PolarHBondContact O-N 2.94Å |
| 11 | A | 83.8 | Confident | 73.4 | Confident | 59 Ų | 59 | 110.9 Ų | 110.9 | 49% | 0.488 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.3 | -45 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S7 P8 I14 L15 | S7-A11 WeakPolarHBondContact O-CB 3.28Å; S7-A11 PolarHBondContact O-N 2.88Å; P8-A11 PolarHBondContact O-N 3.09Å; A11-I14 PolarHBondContact O-N 2.98Å; A11-L15 WeakPolarHBondContact O-CB 3.4Å; A11-L15 PolarHBondContact O-N 3.41Å |
| 12 | L | 86.1 | Confident | 73.9 | Confident | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -41.4 | 175.9 | -70.1 | 171.6 | 0 | 0 | 0 | 112.1 | P8 F9 L10 I14 L15 V16 | P8-L12 WeakPolarHBondContact O-CB 3.29Å; P8-L12 WeakPolarHBondContact O-CG 3.38Å; P8-L12 PolarHBondContact O-N 2.83Å; F9-L12 PolarHBondContact O-N 3.31Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.49Å; L12-I14 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.38Å; L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.36Å |
| 13 | S | 82.8 | Confident | 73.4 | Confident | 52 Ų | 52 | 106.8 Ų | 106.8 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.5 | -42.1 | 177.4 | 71.3 | 0 | 0 | 0 | 0 | 112.1 | F9 L10 L15 V16 L17 | F9-S13 WeakPolarHBondContact O-CB 3.3Å; F9-S13 PolarHBondContact O-N 3.33Å; F9-S13 PolarHBondContact O-OG 3.48Å; L10-S13 PolarHBondContact O-N 2.89Å; L10-S13 PolarHBondContact O-OG 2.89Å; S13-L15 VanDerWaalsContact C-N 3.34Å; S13-L15 PolarHBondContact O-N 2.85Å; S13-V16 PolarHBondContact O-N 3.34Å; S13-L17 WeakPolarHBondContact O-CB 3.4Å; S13-L17 WeakPolarHBondContact O-CD1 3.33Å; S13-L17 PolarHBondContact O-N 2.98Å |
| 14 | I | 83.9 | Confident | 73.1 | Confident | 102 Ų | 102 | 107.2 Ų | 107.2 | 52% | 0.523 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -42.8 | 178 | -67.4 | 165.6 | 0 | 0 | 0 | 109.7 | L10 A11 L12 L17 L18 | L10-I14 HydrophobicContact CD1-CD1 4.36Å; L10-I14 HydrophobicContact CG-CD1 3.97Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.26Å; L10-I14 PolarHBondContact O-N 2.94Å; A11-I14 PolarHBondContact O-N 2.98Å; L12-I14 PolarHBondContact O-N 3.42Å; I14-L17 PolarHBondContact O-N 3.39Å; I14-L18 WeakPolarHBondContact O-CB 3.43Å; I14-L18 PolarHBondContact O-N 2.93Å |
| 15 | L | 84.8 | Confident | 72.6 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 49% | 0.487 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.4 | -43.3 | 177.6 | -171 | 65.3 | 0 | 0 | 0 | 112.2 | A11 L12 S13 L18 Q19 | A11-L15 WeakPolarHBondContact O-CB 3.4Å; A11-L15 PolarHBondContact O-N 3.41Å; L12-L15 PolarHBondContact O-N 3.38Å; S13-L15 VanDerWaalsContact C-N 3.34Å; S13-L15 PolarHBondContact O-N 2.85Å; L15-L18 PolarHBondContact O-N 3.4Å; L15-Q19 PolarHBondContact O-N 2.95Å |
| 16 | V | 83.8 | Confident | 71.8 | Confident | 87 Ų | 87 | 97.7 Ų | 97.7 | 53% | 0.527 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -42.7 | 176.4 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L12 S13 L18 Q19 A20 | L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.36Å; S13-V16 PolarHBondContact O-N 3.34Å; V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 PolarHBondContact O-N 3.01Å; V16-Q19 PolarHBondContact O-N 2.87Å; V16-A20 WeakPolarHBondContact O-CB 3.5Å; V16-A20 PolarHBondContact O-N 3.42Å |
| 17 | L | 81.9 | Confident | 71.1 | Confident | 123 Ų | 123 | 97.3 Ų | 97.3 | 64% | 0.644 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.5 | -35.5 | 175.8 | -94.3 | 74.2 | 0 | 0 | 0 | 111.8 | S13 I14 G21 | S13-L17 WeakPolarHBondContact O-CB 3.4Å; S13-L17 WeakPolarHBondContact O-CD1 3.33Å; S13-L17 PolarHBondContact O-N 2.98Å; I14-L17 PolarHBondContact O-N 3.39Å; L17-G21 WeakPolarHBondContact O-CA 3.35Å; L17-G21 PolarHBondContact O-N 3.04Å |
| 18 | L | 75.6 | Confident | 69.9 | Low | 104 Ų | 104 | 102.3 Ų | 102.3 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.1 | -41.9 | 176.9 | -163.9 | 73.5 | 0 | 0 | 0 | 111.5 | I14 L15 V16 S22 | I14-L18 WeakPolarHBondContact O-CB 3.43Å; I14-L18 PolarHBondContact O-N 2.93Å; L15-L18 PolarHBondContact O-N 3.4Å; V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 PolarHBondContact O-N 3.01Å; L18-S22 WeakPolarHBondContact O-CB 3.44Å; L18-S22 PolarHBondContact O-N 3.45Å; L18-S22 PolarHBondContact O-OG 3.01Å |
| 19 | Q | 70 | Confident | 68.8 | Low | 131 Ų | 131 | 109.5 Ų | 109.5 | 61% | 0.612 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | 174 | -80.9 | 178.9 | -4.8 | 0 | 0 | 113.1 | L15 V16 S22 | L15-Q19 PolarHBondContact O-N 2.95Å; V16-Q19 PolarHBondContact O-N 2.87Å; Q19-S22 PolarHBondContact O-OG 3.47Å |
| 20 | A | 69.1 | Low | 66.9 | Low | 68 Ų | 68 | 107.2 Ų | 107.2 | 56% | 0.562 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -77.8 | -32.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V16 | V16-A20 WeakPolarHBondContact O-CB 3.5Å; V16-A20 PolarHBondContact O-N 3.42Å |
| 21 | G | 61.9 | Low | 64.9 | Low | 46 Ų | 46 | 106.5 Ų | 106.5 | 47% | 0.474 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -82.8 | -18.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L17 L23 H24 | L17-G21 WeakPolarHBondContact O-CA 3.35Å; L17-G21 PolarHBondContact O-N 3.04Å; G21-L23 PolarHBondContact O-N 3.18Å; G21-H24 PolarHBondContact O-N 3.17Å |
| 22 | S | 59.3 | Low | 63.1 | Low | 66 Ų | 66 | 111.5 Ų | 111.5 | 46% | 0.462 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.5 | -3.5 | 175 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | L18 Q19 | L18-S22 WeakPolarHBondContact O-CB 3.44Å; L18-S22 PolarHBondContact O-N 3.45Å; L18-S22 PolarHBondContact O-OG 3.01Å; Q19-S22 PolarHBondContact O-OG 3.47Å |
| 23 | L | 53.4 | Low | 61 | Low | 152 Ų | 152 | 115.4 Ų | 115.4 | 80% | 0.796 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -3 | 176.6 | -76.7 | 128.1 | 0 | 0 | 0 | 114.6 | G21 | G21-L23 PolarHBondContact O-N 3.18Š|
| 24 | H | 53.3 | Low | 59.1 | Low | 180 Ų | 180 | 118.2 Ų | 118.2 | 83% | 0.833 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | -10.8 | -176 | -152.1 | 102.6 | 0 | 0 | 0 | 116.9 | G21 | G21-H24 PolarHBondContact O-N 3.17Š|
| 25 | A | 48.6 | Very low | 56.9 | Low | 75 Ų | 75 | 118.3 Ų | 118.3 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -147.9 | 139.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 26 | A | 45.4 | Very low | 54.9 | Low | 79 Ų | 79 | 119.9 Ų | 119.9 | 65% | 0.653 | 70% | 0.697 | S | S | * | * | trans | -28.3 | 132 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F28 | A26-F28 WeakPolarHBondContact O-CD2 3.26Å; A26-F28 PolarHBondContact O-N 3.11Å | ||
| 27 | P | 49.8 | Very low | 52.6 | Low | 113 Ų | 113 | 122.3 Ų | 122.3 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | trans | -62.6 | 103.9 | -166.5 | 24.4 | -33.9 | 0 | 0 | 0 | 112.1 | R29 | P27-R29 PolarHBondContact O-N 2.81Å; P27-R29 VanDerWaalsContact O-N 3.07Å | ||
| 28 | F | 50.1 | Low | 51 | Low | 186 Ų | 186 | 121.1 Ų | 121.1 | 82% | 0.816 | 71% | 0.707 | S | S | * | * | trans | -72 | 98.4 | 164.8 | -76 | -85.3 | 0 | 0 | 0 | 109.1 | A26 S30 | A26-F28 WeakPolarHBondContact O-CD2 3.26Å; A26-F28 PolarHBondContact O-N 3.11Å; F28-S30 PolarHBondContact O-N 3.42Å; F28-S30 PolarHBondContact O-OG 3.3Å | ||
| 29 | R | 54.2 | Low | 49.6 | Very low | 223 Ų | 223 | 120.6 Ų | 120.6 | 84% | 0.842 | 72% | 0.718 | S | S | * | * | trans | 28.1 | 71.2 | 143.4 | -77.2 | -84.6 | -161.8 | 173.8 | 2.7 | 115 | P27 | P27-R29 PolarHBondContact O-N 2.81Å; P27-R29 VanDerWaalsContact O-N 3.07Å | ||
| 30 | S | 44.7 | Very low | 48.7 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | trans | -106.1 | 61.5 | 164.5 | -65.6 | 0 | 0 | 0 | 0 | 110.1 | F28 | F28-S30 PolarHBondContact O-N 3.42Å; F28-S30 PolarHBondContact O-OG 3.3Å | ||
| 31 | A | 39.8 | Very low | 47.9 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | trans | -140 | 38.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 32 | L | 46.5 | Very low | 48 | Very low | 163 Ų | 163 | 121.3 Ų | 121.3 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -94.3 | -1.8 | 177.3 | -159.4 | 106 | 0 | 0 | 0 | 113.4 | ||
| 33 | E | 41.6 | Very low | 48.4 | Very low | 185 Ų | 185 | 124.6 Ų | 124.6 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -145.1 | 56.5 | -173.9 | -70 | 179.9 | 135.8 | 0 | 0 | 113.3 | ||
| 34 | S | 42.8 | Very low | 49.1 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -170.9 | 109.8 | 139.8 | 67.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 35 | S | 38.5 | Very low | 50.3 | Low | 104 Ų | 104 | 118.4 Ų | 118.4 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | 64.3 | 101.9 | 175.9 | -172.8 | 0 | 0 | 0 | 0 | 115.5 | D37 | S35-D37 VanDerWaalsContact C-N 3.33Å; S35-D37 PolarHBondContact O-N 2.85Å | ||
| 36 | P | 42.3 | Very low | 51.8 | Low | 126 Ų | 126 | 117.2 Ų | 117.2 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | -74.2 | 94.5 | 163.1 | 31.2 | -25.9 | 0 | 0 | 0 | 107.2 | P38 | P36-P38 WeakPolarHBondContact O-CD 3.48Š| ||
| 37 | D | 35.5 | Very low | 53.3 | Low | 137 Ų | 137 | 119.8 Ų | 119.8 | 73% | 0.733 | 67% | 0.672 | S | S | * | * | trans | -79.8 | 112 | 155 | -167.2 | 23 | 0 | 0 | 0 | 106.7 | S35 A39 | S35-D37 VanDerWaalsContact C-N 3.33Å; S35-D37 PolarHBondContact O-N 2.85Å; D37-A39 PolarHBondContact O-N 3.3Å | ||
| 38 | P | 48.5 | Very low | 55 | Low | 98 Ų | 98 | 119.8 Ų | 119.8 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | trans | -79.2 | 71.4 | -176 | 35.2 | -34.9 | 0 | 0 | 0 | 109.2 | P36 T40 | P36-P38 WeakPolarHBondContact O-CD 3.48Å; P38-T40 PolarHBondContact O-N 3.44Å | ||
| 39 | A | 47.1 | Very low | 56.8 | Low | 93 Ų | 93 | 116.1 Ų | 116.1 | 77% | 0.769 | 65% | 0.653 | S | S | * | * | trans | -75.3 | 77.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | D37 L41 | D37-A39 PolarHBondContact O-N 3.3Å; A39-L41 PolarHBondContact O-N 3.36Å; A39-L41 VanDerWaalsContact O-N 3.08Å | ||
| 40 | T | 50.3 | Low | 58.6 | Low | 113 Ų | 113 | 110.6 Ų | 110.6 | 69% | 0.693 | 64% | 0.64 | S | S | * | * | trans | -38.3 | 98.9 | 179.5 | 48.2 | 0 | 0 | 0 | 0 | 113.6 | P38 S42 | P38-T40 PolarHBondContact O-N 3.44Å; T40-S42 VanDerWaalsContact C-N 3.34Å; T40-S42 PolarHBondContact O-N 3Å | ||
| 41 | L | 52.7 | Low | 60.8 | Low | 93 Ų | 93 | 107.9 Ų | 107.9 | 49% | 0.487 | 62% | 0.624 | S | S | . | * | trans | -64.5 | 108.4 | 141.4 | -151 | 172.5 | 0 | 0 | 0 | 103.6 | A39 E43 E45 A46 L49 | A39-L41 PolarHBondContact O-N 3.36Å; A39-L41 VanDerWaalsContact O-N 3.08Å; L41-E43 PolarHBondContact O-N 2.86Å; L41-E45 HydrophobicContact CD2-CB 3.32Å; L41-E45 HydrophobicContact CD2-CG 4.5Å; L41-A46 HydrophobicContact CD2-CB 4.23Å; L41-L49 HydrophobicContact CD1-CD1 4.29Å; L41-L49 HydrophobicContact CD2-CD1 4.34Å | ||
| 42 | S | 63.2 | Low | 63.3 | Low | 55 Ų | 55 | 106 Ų | 106 | 39% | 0.385 | 61% | 0.608 | S | S | . | * | trans | -53.6 | 139.7 | -174.3 | 170.1 | 0 | 0 | 0 | 0 | 108.8 | T40 E44 E45 A46 | T40-S42 VanDerWaalsContact C-N 3.34Å; T40-S42 PolarHBondContact O-N 3Å; S42-E44 PolarHBondContact O-N 3.31Å; S42-E44 PolarHBondContact OG-N 3.34Å; S42-E45 PolarHBondContact N-OE2 2.94Å; S42-E45 WeakPolarHBondContact O-CA 3.36Å; S42-E45 WeakPolarHBondContact O-CB 3.34Å; S42-E45 PolarHBondContact O-N 3.35Å; S42-A46 PolarHBondContact O-N 3.45Å | ||
| 43 | E | 68.4 | Low | 65.6 | Low | 134 Ų | 134 | 104 Ų | 104 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -50.9 | -31.5 | 177.4 | -169.2 | -174.7 | 161.1 | 0 | 0 | 111.2 | L41 A46 R47 | L41-E43 PolarHBondContact O-N 2.86Å; E43-A46 PolarHBondContact O-N 2.93Å; E43-R47 VanDerWaalsContact CD-NH2 3.26Å; E43-R47 VanDerWaalsContact O-CG 3.24Å; E43-R47 WeakPolarHBondContact O-CG 3.46Å; E43-R47 PolarHBondContact O-N 2.99Å; E43-R47 IonicContact OE1-CZ 3.45Å; E43-R47 IonicContact OE1-NE 3.5Å; E43-R47 PolarHBondContact OE1-NE 2.91Å; E43-R47 IonicContact OE1-NH2 2.66Å; E43-R47 PolarHBondContact OE1-NH2 3.08Å; E43-R47 IonicContact OE2-NH2 3.82Å |
| 44 | E | 68.7 | Low | 68 | Low | 101 Ų | 101 | 98.8 Ų | 98.8 | 47% | 0.472 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.4 | -41.5 | 175.9 | -163.6 | 68.3 | 174.6 | 0 | 0 | 113.4 | S42 A46 R47 L48 | S42-E44 PolarHBondContact O-N 3.31Å; S42-E44 PolarHBondContact OG-N 3.34Å; E44-A46 VanDerWaalsContact C-N 3.33Å; E44-R47 PolarHBondContact O-N 2.85Å; E44-R47 IonicContact OE2-CZ 3.94Å; E44-R47 IonicContact OE2-NH1 3.09Å; E44-R47 PolarHBondContact OE2-NH1 2.9Å; E44-R47 VanDerWaalsContact OE2-NH1 3.09Å; E44-L48 WeakPolarHBondContact O-CB 3.37Å; E44-L48 VanDerWaalsContact O-CG 3.28Å; E44-L48 WeakPolarHBondContact O-CG 3.28Å; E44-L48 PolarHBondContact O-N 3.42Å |
| 45 | E | 76.9 | Confident | 70.3 | Confident | 102 Ų | 102 | 100.2 Ų | 100.2 | 48% | 0.477 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.3 | -34.5 | 175.5 | -71.8 | 173.1 | 156.1 | 0 | 0 | 111.2 | L41 S42 L48 L49 | L41-E45 HydrophobicContact CD2-CB 3.32Å; L41-E45 HydrophobicContact CD2-CG 4.5Å; S42-E45 PolarHBondContact N-OE2 2.94Å; S42-E45 WeakPolarHBondContact O-CA 3.36Å; S42-E45 WeakPolarHBondContact O-CB 3.34Å; S42-E45 PolarHBondContact O-N 3.35Å; E45-L48 PolarHBondContact O-N 2.71Å; E45-L49 WeakPolarHBondContact O-CB 3.49Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 3.01Å |
| 46 | A | 80.8 | Confident | 72.8 | Confident | 49 Ų | 49 | 100.5 Ų | 100.5 | 41% | 0.405 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.8 | -40 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L41 S42 E43 E44 L50 | L41-A46 HydrophobicContact CD2-CB 4.23Å; S42-A46 PolarHBondContact O-N 3.45Å; E43-A46 PolarHBondContact O-N 2.93Å; E44-A46 VanDerWaalsContact C-N 3.33Å; A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 PolarHBondContact O-N 2.93Å |
| 47 | R | 76.4 | Confident | 74.9 | Confident | 133 Ų | 133 | 101.2 Ų | 101.2 | 50% | 0.502 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.3 | -41 | 173.9 | -70.2 | 169.2 | -167.3 | 176.4 | -1.3 | 111.9 | E43 E44 L50 A51 | E43-R47 VanDerWaalsContact CD-NH2 3.26Å; E43-R47 VanDerWaalsContact O-CG 3.24Å; E43-R47 WeakPolarHBondContact O-CG 3.46Å; E43-R47 PolarHBondContact O-N 2.99Å; E43-R47 IonicContact OE1-CZ 3.45Å; E43-R47 IonicContact OE1-NE 3.5Å; E43-R47 PolarHBondContact OE1-NE 2.91Å; E43-R47 IonicContact OE1-NH2 2.66Å; E43-R47 PolarHBondContact OE1-NH2 3.08Å; E43-R47 IonicContact OE2-NH2 3.82Å; E44-R47 PolarHBondContact O-N 2.85Å; E44-R47 IonicContact OE2-CZ 3.94Å; E44-R47 IonicContact OE2-NH1 3.09Å; E44-R47 PolarHBondContact OE2-NH1 2.9Å; E44-R47 VanDerWaalsContact OE2-NH1 3.09Å; R47-L50 PolarHBondContact O-N 3.07Å; R47-A51 WeakPolarHBondContact O-CB 3.47Å; R47-A51 PolarHBondContact O-N 3.4Å |
| 48 | L | 85.6 | Confident | 77.5 | Confident | 113 Ų | 113 | 98.7 Ų | 98.7 | 59% | 0.592 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 176.2 | -74.8 | 166.6 | 0 | 0 | 0 | 111.6 | E44 E45 A51 A52 | E44-L48 WeakPolarHBondContact O-CB 3.37Å; E44-L48 VanDerWaalsContact O-CG 3.28Å; E44-L48 WeakPolarHBondContact O-CG 3.28Å; E44-L48 PolarHBondContact O-N 3.42Å; E45-L48 PolarHBondContact O-N 2.71Å; L48-A51 PolarHBondContact O-N 3.14Å; L48-A52 WeakPolarHBondContact O-CB 3.44Å; L48-A52 PolarHBondContact O-N 2.9Å |
| 49 | L | 88.9 | Confident | 79.3 | Confident | 110 Ų | 110 | 100.5 Ų | 100.5 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 175.1 | -77.2 | 166.7 | 0 | 0 | 0 | 112.1 | L41 E45 A52 L53 | L41-L49 HydrophobicContact CD1-CD1 4.29Å; L41-L49 HydrophobicContact CD2-CD1 4.34Å; E45-L49 WeakPolarHBondContact O-CB 3.49Å; E45-L49 WeakPolarHBondContact O-CG 3.45Å; E45-L49 PolarHBondContact O-N 3.01Å; L49-A52 PolarHBondContact O-N 3.08Å; L49-L53 WeakPolarHBondContact O-CB 2.93Å; L49-L53 PolarHBondContact O-N 2.87Å |
| 50 | L | 90.9 | Very high | 80.9 | Confident | 107 Ų | 107 | 100.8 Ų | 100.8 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.4 | -41.8 | 177 | -176.5 | 61.6 | 0 | 0 | 0 | 111.5 | A46 R47 L53 V54 | A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 PolarHBondContact O-N 2.93Å; R47-L50 PolarHBondContact O-N 3.07Å; L50-L53 PolarHBondContact O-N 3.46Å; L50-V54 HydrophobicContact CD1-CG2 4.41Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.4Å; L50-V54 PolarHBondContact O-N 3.02Å |
| 51 | A | 91.6 | Very high | 82.1 | Confident | 46 Ų | 46 | 99.4 Ų | 99.4 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R47 L48 V54 Q55 | R47-A51 WeakPolarHBondContact O-CB 3.47Å; R47-A51 PolarHBondContact O-N 3.4Å; L48-A51 PolarHBondContact O-N 3.14Å; A51-V54 PolarHBondContact O-N 3.26Å; A51-Q55 WeakPolarHBondContact O-CB 3.32Å; A51-Q55 VanDerWaalsContact O-CG 3.3Å; A51-Q55 WeakPolarHBondContact O-CG 3.33Å; A51-Q55 PolarHBondContact O-N 2.79Å |
| 52 | A | 92.7 | Very high | 83.1 | Confident | 52 Ų | 52 | 97.8 Ų | 97.8 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L48 L49 Q55 D56 | L48-A52 WeakPolarHBondContact O-CB 3.44Å; L48-A52 PolarHBondContact O-N 2.9Å; L49-A52 PolarHBondContact O-N 3.08Å; A52-Q55 PolarHBondContact O-N 3.4Å; A52-D56 WeakPolarHBondContact O-CB 2.94Å; A52-D56 PolarHBondContact O-N 3.46Å |
| 53 | L | 93.3 | Very high | 83.4 | Confident | 120 Ų | 120 | 98.5 Ų | 98.5 | 63% | 0.628 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 177.2 | -169.8 | 83.8 | 0 | 0 | 0 | 112 | L49 L50 D56 Y57 | L49-L53 WeakPolarHBondContact O-CB 2.93Å; L49-L53 PolarHBondContact O-N 2.87Å; L50-L53 PolarHBondContact O-N 3.46Å; L53-D56 PolarHBondContact O-N 3.36Å; L53-Y57 WeakPolarHBondContact O-CB 3.22Å; L53-Y57 PolarHBondContact O-N 3.35Å |
| 54 | V | 93.8 | Very high | 83 | Confident | 77 Ų | 77 | 97.6 Ų | 97.6 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 178 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L50 A51 Y57 V58 | L50-V54 HydrophobicContact CD1-CG2 4.41Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.4Å; L50-V54 PolarHBondContact O-N 3.02Å; A51-V54 PolarHBondContact O-N 3.26Å; V54-Y57 PolarHBondContact O-N 2.95Å; V54-V58 HydrophobicContact CG1-CG2 4.31Å; V54-V58 WeakPolarHBondContact O-CB 3.39Å; V54-V58 VanDerWaalsContact O-CG2 3.23Å; V54-V58 WeakPolarHBondContact O-CG2 3.38Å; V54-V58 PolarHBondContact O-N 2.85Å |
| 55 | Q | 90.9 | Very high | 82.5 | Confident | 141 Ų | 141 | 99.9 Ų | 99.9 | 66% | 0.659 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.8 | -46.4 | 175.6 | -78.4 | -179.1 | -2.1 | 0 | 0 | 111.8 | A51 A52 Y57 V58 Q59 | A51-Q55 WeakPolarHBondContact O-CB 3.32Å; A51-Q55 VanDerWaalsContact O-CG 3.3Å; A51-Q55 WeakPolarHBondContact O-CG 3.33Å; A51-Q55 PolarHBondContact O-N 2.79Å; A52-Q55 PolarHBondContact O-N 3.4Å; Q55-Y57 VanDerWaalsContact C-N 3.35Å; Q55-Y57 PolarHBondContact O-N 3.01Å; Q55-V58 PolarHBondContact O-N 2.73Å; Q55-Q59 VanDerWaalsContact O-CB 3.26Å; Q55-Q59 WeakPolarHBondContact O-CB 3.44Å; Q55-Q59 PolarHBondContact O-N 2.87Å |
| 56 | D | 90.5 | Very high | 81.4 | Confident | 111 Ų | 111 | 98 Ų | 98 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.7 | -40.7 | 179.2 | -163.9 | 48.5 | 0 | 0 | 0 | 111.4 | A52 L53 Q59 M60 | A52-D56 WeakPolarHBondContact O-CB 2.94Å; A52-D56 PolarHBondContact O-N 3.46Å; L53-D56 PolarHBondContact O-N 3.36Å; D56-Q59 PolarHBondContact O-N 3.05Å; D56-M60 VanDerWaalsContact O-CB 3.28Å; D56-M60 WeakPolarHBondContact O-CB 3.44Å; D56-M60 PolarHBondContact O-N 3.01Å |
| 57 | Y | 85.7 | Confident | 79.9 | Confident | 140 Ų | 140 | 102.9 Ų | 102.9 | 55% | 0.549 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.7 | -49.3 | 173.3 | -177.4 | -97.6 | 0 | 0 | 0 | 111.9 | L53 V54 Q55 Q59 M60 K61 | L53-Y57 WeakPolarHBondContact O-CB 3.22Å; L53-Y57 PolarHBondContact O-N 3.35Å; V54-Y57 PolarHBondContact O-N 2.95Å; Q55-Y57 VanDerWaalsContact C-N 3.35Å; Q55-Y57 PolarHBondContact O-N 3.01Å; Y57-Q59 VanDerWaalsContact C-N 3.32Å; Y57-Q59 PolarHBondContact O-N 3Å; Y57-M60 HydrophobicContact CD2-CE 3.78Å; Y57-M60 HydrophobicContact CE2-CE 4.08Å; Y57-M60 PolarHBondContact O-N 3.49Å; Y57-K61 HydrophobicContact CD1-CG 3.99Å; Y57-K61 HydrophobicContact CE1-CD 4.2Å; Y57-K61 HydrophobicContact CE1-CG 3.62Å; Y57-K61 HydrophobicContact CE2-CD 4.21Å; Y57-K61 HydrophobicContact CE2-CG 4.32Å; Y57-K61 HydrophobicContact CG-CG 4.48Å; Y57-K61 WeakPolarHBondContact O-CB 3.44Å; Y57-K61 VanDerWaalsContact O-CG 3.26Å; Y57-K61 WeakPolarHBondContact O-CG 3.42Å; Y57-K61 PolarHBondContact O-N 3.34Å |
| 58 | V | 90.4 | Very high | 78.1 | Confident | 85 Ų | 85 | 104.1 Ų | 104.1 | 52% | 0.515 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.6 | -39 | 179.1 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | V54 Q55 K61 A62 | V54-V58 HydrophobicContact CG1-CG2 4.31Å; V54-V58 WeakPolarHBondContact O-CB 3.39Å; V54-V58 VanDerWaalsContact O-CG2 3.23Å; V54-V58 WeakPolarHBondContact O-CG2 3.38Å; V54-V58 PolarHBondContact O-N 2.85Å; Q55-V58 PolarHBondContact O-N 2.73Å; V58-K61 PolarHBondContact O-N 3.22Å; V58-A62 VanDerWaalsContact O-CB 3.3Å; V58-A62 WeakPolarHBondContact O-CB 3.36Å; V58-A62 PolarHBondContact O-N 2.98Å |
| 59 | Q | 85.6 | Confident | 76.3 | Confident | 135 Ų | 135 | 102.2 Ų | 102.2 | 63% | 0.631 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.4 | -42.1 | 176.3 | -176.6 | 164.1 | 10.6 | 0 | 0 | 111.8 | Q55 D56 Y57 A62 S63 | Q55-Q59 VanDerWaalsContact O-CB 3.26Å; Q55-Q59 WeakPolarHBondContact O-CB 3.44Å; Q55-Q59 PolarHBondContact O-N 2.87Å; D56-Q59 PolarHBondContact O-N 3.05Å; Y57-Q59 VanDerWaalsContact C-N 3.32Å; Y57-Q59 PolarHBondContact O-N 3Å; Q59-A62 PolarHBondContact O-N 3.18Å; Q59-S63 WeakPolarHBondContact O-CB 3.22Å; Q59-S63 PolarHBondContact O-N 3.31Å |
| 60 | M | 81.1 | Confident | 73.8 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 49% | 0.493 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.2 | -46.4 | 171.8 | -179.7 | -179.3 | 68.5 | 0 | 0 | 111 | D56 Y57 A62 S63 E64 | D56-M60 VanDerWaalsContact O-CB 3.28Å; D56-M60 WeakPolarHBondContact O-CB 3.44Å; D56-M60 PolarHBondContact O-N 3.01Å; Y57-M60 HydrophobicContact CD2-CE 3.78Å; Y57-M60 HydrophobicContact CE2-CE 4.08Å; Y57-M60 PolarHBondContact O-N 3.49Å; M60-A62 VanDerWaalsContact C-N 3.32Å; M60-A62 PolarHBondContact O-N 3.14Å; M60-S63 PolarHBondContact O-N 3.37Å; M60-E64 WeakPolarHBondContact O-CG 3.38Å; M60-E64 PolarHBondContact O-N 3.06Å |
| 61 | K | 75.8 | Confident | 71.7 | Confident | 83 Ų | 83 | 106.8 Ų | 106.8 | 36% | 0.361 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.1 | -34.5 | 176.5 | -67 | -49.7 | -63.5 | 165 | 0 | 112.8 | Y57 V58 E64 L65 | Y57-K61 HydrophobicContact CD1-CG 3.99Å; Y57-K61 HydrophobicContact CE1-CD 4.2Å; Y57-K61 HydrophobicContact CE1-CG 3.62Å; Y57-K61 HydrophobicContact CE2-CD 4.21Å; Y57-K61 HydrophobicContact CE2-CG 4.32Å; Y57-K61 HydrophobicContact CG-CG 4.48Å; Y57-K61 WeakPolarHBondContact O-CB 3.44Å; Y57-K61 VanDerWaalsContact O-CG 3.26Å; Y57-K61 WeakPolarHBondContact O-CG 3.42Å; Y57-K61 PolarHBondContact O-N 3.34Å; V58-K61 PolarHBondContact O-N 3.22Å; K61-E64 WeakPolarHBondContact CD-OE2 3.41Å; K61-E64 WeakPolarHBondContact CE-OE2 3.2Å; K61-E64 IonicContact NZ-OE2 2.71Å; K61-E64 PolarHBondContact NZ-OE2 3.38Å; K61-L65 PolarHBondContact O-N 2.03Å; K61-L65 VanDerWaalsContact O-N 3.11Å |
| 62 | A | 73.7 | Confident | 69.3 | Low | 59 Ų | 59 | 113.7 Ų | 113.7 | 49% | 0.488 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73.2 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | V58 Q59 M60 E64 L65 G66 | V58-A62 VanDerWaalsContact O-CB 3.3Å; V58-A62 WeakPolarHBondContact O-CB 3.36Å; V58-A62 PolarHBondContact O-N 2.98Å; Q59-A62 PolarHBondContact O-N 3.18Å; M60-A62 VanDerWaalsContact C-N 3.32Å; M60-A62 PolarHBondContact O-N 3.14Å; A62-E64 VanDerWaalsContact C-N 3.32Å; A62-L65 PolarHBondContact O-N 3.32Å; A62-G66 PolarHBondContact O-N 3.23Å |
| 63 | S | 70 | Confident | 66.9 | Low | 71 Ų | 71 | 114.4 Ų | 114.4 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.4 | -39.3 | 172.7 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | Q59 M60 L65 G66 | Q59-S63 WeakPolarHBondContact O-CB 3.22Å; Q59-S63 PolarHBondContact O-N 3.31Å; M60-S63 PolarHBondContact O-N 3.37Å; S63-L65 VanDerWaalsContact C-N 3.32Å; S63-L65 PolarHBondContact O-N 2.86Å; S63-G66 PolarHBondContact O-N 3.02Å |
| 64 | E | 59.5 | Low | 64.5 | Low | 114 Ų | 114 | 114.5 Ų | 114.5 | 53% | 0.533 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.9 | -33.1 | 172.1 | -77 | -174.5 | 131.9 | 0 | 0 | 112.8 | M60 K61 A62 | M60-E64 WeakPolarHBondContact O-CG 3.38Å; M60-E64 PolarHBondContact O-N 3.06Å; K61-E64 WeakPolarHBondContact CD-OE2 3.41Å; K61-E64 WeakPolarHBondContact CE-OE2 3.2Å; K61-E64 IonicContact NZ-OE2 2.71Å; K61-E64 PolarHBondContact NZ-OE2 3.38Å; A62-E64 VanDerWaalsContact C-N 3.32Å |
| 65 | L | 58.7 | Low | 62.1 | Low | 150 Ų | 150 | 115.6 Ų | 115.6 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.1 | -19.1 | 177.2 | -115.7 | 87.8 | 0 | 0 | 0 | 113.9 | K61 A62 S63 | K61-L65 PolarHBondContact O-N 2.03Å; K61-L65 VanDerWaalsContact O-N 3.11Å; A62-L65 PolarHBondContact O-N 3.32Å; S63-L65 VanDerWaalsContact C-N 3.32Å; S63-L65 PolarHBondContact O-N 2.86Å |
| 66 | G | 53.1 | Low | 60.2 | Low | 63 Ų | 63 | 116.5 Ų | 116.5 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | A62 S63 | A62-G66 PolarHBondContact O-N 3.23Å; S63-G66 PolarHBondContact O-N 3.02Å |
| 67 | Q | 49.7 | Very low | 58 | Low | 151 Ų | 151 | 119.2 Ų | 119.2 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | trans | -104.1 | 37.5 | -175.7 | -71.7 | -171.3 | 4.5 | 0 | 0 | 114.5 | ||||
| 68 | E | 39.5 | Very low | 56.2 | Low | 159 Ų | 159 | 117.3 Ų | 117.3 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -139 | 140.2 | 161.2 | -91.2 | -67.8 | 107.8 | 0 | 0 | 108.9 | ||
| 69 | P | 47 | Very low | 54.4 | Low | 73 Ų | 73 | 118.5 Ų | 118.5 | 47% | 0.474 | 68% | 0.679 | S | S | . | * | -114.3 | 132.4 | -94.4 | 34.2 | -28 | 0 | 0 | 0 | 113.1 | T71 | P69-T71 PolarHBondContact O-N 2.95Š| |||
| 70 | E | 37.3 | Very low | 52.8 | Low | 205 Ų | 205 | 123 Ų | 123 | 96% | 0.958 | 69% | 0.69 | S | S | * | * | trans | -84.1 | 104.8 | 160.3 | -66 | -157.8 | 121.3 | 0 | 0 | 109.3 | ||||
| 71 | T | 46.1 | Very low | 51.6 | Low | 107 Ų | 107 | 123.3 Ų | 123.3 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | trans | -81.3 | 108.4 | 167.1 | -62.7 | 0 | 0 | 0 | 0 | 107.6 | P69 | P69-T71 PolarHBondContact O-N 2.95Š| ||
| 72 | E | 40.6 | Very low | 50.8 | Low | 192 Ų | 192 | 128 Ų | 128 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | trans | -177 | 133.7 | 132.9 | -111.1 | -171.8 | 110.2 | 0 | 0 | 112.8 | ||||
| 73 | G | 43.5 | Very low | 50 | Low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | 81.4 | 82.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 74 | S | 41.3 | Very low | 49.5 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | 155 | 139.9 | 106.7 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 75 | S | 44.1 | Very low | 49.8 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 78.8 | 98.1 | 152 | -141.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 76 | L | 51.5 | Low | 49.8 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | 61 | 112.4 | 124.8 | -65.3 | 168.2 | 0 | 0 | 0 | 119.2 | |||||
| 77 | D | 44.2 | Very low | 50.1 | Low | 168 Ų | 168 | 134 Ų | 134 | 90% | 0.898 | 74% | 0.735 | S | S | * | * | trans | 62.8 | 63.8 | 148.4 | -152.5 | 41.7 | 0 | 0 | 0 | 117.3 | ||||
| 78 | S | 48.5 | Very low | 50.8 | Low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | -121.7 | 136.7 | 156.1 | 177.5 | 0 | 0 | 0 | 0 | 108 | R80 | S78-R80 PolarHBondContact O-N 3.33Š| ||
| 79 | P | 52.5 | Low | 51.9 | Low | 110 Ų | 110 | 127.1 Ų | 127.1 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | trans | -55.1 | 109.5 | -177.2 | 20.9 | -31.7 | 0 | 0 | 0 | 108.8 | S81 | P79-S81 PolarHBondContact O-N 2.8Š| ||
| 80 | R | 51.1 | Low | 53 | Low | 229 Ų | 229 | 125.5 Ų | 125.5 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | trans | -40.5 | 97.9 | -177.4 | -176.5 | 175.8 | -179.5 | 146.9 | -0.7 | 110.1 | S78 K82 | S78-R80 PolarHBondContact O-N 3.33Å; R80-K82 PolarHBondContact O-N 3.04Å | ||
| 81 | S | 56.3 | Low | 54.8 | Low | 108 Ų | 108 | 119.9 Ų | 119.9 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | trans | -61 | 101.2 | 173.1 | -175.8 | 0 | 0 | 0 | 0 | 106.6 | P79 R83 | P79-S81 PolarHBondContact O-N 2.8Å; S81-R83 PolarHBondContact O-N 3.29Å; S81-R83 VanDerWaalsContact O-N 3.08Å | ||
| 82 | K | 57.7 | Low | 56.1 | Low | 180 Ų | 180 | 120.2 Ų | 120.2 | 78% | 0.783 | 68% | 0.68 | S | S | * | * | trans | -63.8 | 114 | 176.5 | -70.9 | -177.8 | 178.6 | 171.7 | 0 | 105.7 | R80 C84 | R80-K82 PolarHBondContact O-N 3.04Å; K82-C84 PolarHBondContact O-N 2.71Å | ||
| 83 | R | 57.6 | Low | 57.6 | Low | 200 Ų | 200 | 113 Ų | 113 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | trans | -44.1 | 107.4 | 178.5 | -77 | -173.8 | 175.5 | -170.5 | -1.3 | 109.4 | S81 G85 | S81-R83 PolarHBondContact O-N 3.29Å; S81-R83 VanDerWaalsContact O-N 3.08Å; R83-G85 PolarHBondContact O-N 3.44Å | ||
| 84 | C | 59.9 | Low | 58.8 | Low | 57 Ų | 57 | 113 Ų | 113 | 39% | 0.385 | 64% | 0.644 | S | S | . | * | trans | -75.5 | 111.1 | 176.8 | -65.8 | 0 | 0 | 0 | 0 | 108.1 | K82 N86 C90 | K82-C84 PolarHBondContact O-N 2.71Å; C84-N86 PolarHBondContact O-N 2.94Å; C84-N86 VanDerWaalsContact O-N 3.14Å; C84-C90 HydrophobicContact CB-CB 3.21Å; C84-C90 WeakPolarHBondContact CB-SG 3.4Å; C84-C90 WeakPolarHBondContact SG-CA 3.11Å; C84-C90 WeakPolarHBondContact SG-CB 3.43Å; C84-C90 CovalentContact SG-SG 2.03Å; C84-C90 PolarHBondContact SG-SG 3.46Å | ||
| 85 | G | 64.9 | Low | 60.2 | Low | 71 Ų | 71 | 113.1 Ų | 113.1 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -62.8 | -18.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R83 | R83-G85 PolarHBondContact O-N 3.44Š|
| 86 | N | 58.5 | Low | 61.4 | Low | 113 Ų | 113 | 112.2 Ų | 112.2 | 60% | 0.604 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -152.3 | 149.2 | 174.6 | -86.1 | -32.6 | 0 | 0 | 0 | 111.6 | C84 S88 T89 C90 | C84-N86 PolarHBondContact O-N 2.94Å; C84-N86 VanDerWaalsContact O-N 3.14Å; N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact O-N 3.18Å; N86-T89 PolarHBondContact N-OG1 3.5Å; N86-T89 PolarHBondContact O-N 3.41Å; N86-T89 PolarHBondContact O-OG1 2.92Å; N86-C90 PolarHBondContact O-N 3.41Å |
| 87 | L | 59.4 | Low | 62.3 | Low | 142 Ų | 142 | 111.1 Ų | 111.1 | 74% | 0.743 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58 | -40.7 | -176.3 | -163.4 | 155 | 0 | 0 | 0 | 112.5 | C90 M91 | L87-C90 WeakPolarHBondContact O-CB 3.3Å; L87-C90 PolarHBondContact O-N 2.88Å; L87-M91 HydrophobicContact CD2-CG 4.08Å; L87-M91 WeakPolarHBondContact O-CG 3.41Å; L87-M91 PolarHBondContact O-N 3.12Å |
| 88 | S | 65.1 | Low | 63.5 | Low | 88 Ų | 88 | 106.5 Ų | 106.5 | 62% | 0.615 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.7 | -41.7 | 177.8 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | N86 C90 L92 | N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact O-N 3.18Å; S88-C90 VanDerWaalsContact C-N 3.33Å; S88-L92 PolarHBondContact O-N 2.88Å; S88-L92 VanDerWaalsContact O-N 3.14Å |
| 89 | T | 63.3 | Low | 64.3 | Low | 79 Ų | 79 | 107.6 Ų | 107.6 | 49% | 0.485 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.8 | -28.3 | 175.6 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | N86 G93 | N86-T89 PolarHBondContact N-OG1 3.5Å; N86-T89 PolarHBondContact O-N 3.41Å; N86-T89 PolarHBondContact O-OG1 2.92Å; T89-G93 PolarHBondContact O-N 3.48Å |
| 90 | C | 68.8 | Low | 64.9 | Low | 38 Ų | 38 | 107 Ų | 107 | 26% | 0.257 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.5 | -48.4 | 175.1 | -146.1 | 0 | 0 | 0 | 0 | 111.8 | C84 N86 L87 S88 L92 G93 T94 | C84-C90 HydrophobicContact CB-CB 3.21Å; C84-C90 WeakPolarHBondContact CB-SG 3.4Å; C84-C90 WeakPolarHBondContact SG-CA 3.11Å; C84-C90 WeakPolarHBondContact SG-CB 3.43Å; C84-C90 CovalentContact SG-SG 2.03Å; C84-C90 PolarHBondContact SG-SG 3.46Å; N86-C90 PolarHBondContact O-N 3.41Å; L87-C90 WeakPolarHBondContact O-CB 3.3Å; L87-C90 PolarHBondContact O-N 2.88Å; S88-C90 VanDerWaalsContact C-N 3.33Å; C90-L92 VanDerWaalsContact C-N 3.29Å; C90-L92 PolarHBondContact O-N 3.39Å; C90-G93 PolarHBondContact O-N 2.95Å; C90-G93 VanDerWaalsContact O-N 3.12Å; C90-T94 WeakPolarHBondContact O-CG2 3.48Å; C90-T94 PolarHBondContact O-N 3.36Å; C90-T94 PolarHBondContact O-OG1 2.95Å |
| 91 | M | 76.7 | Confident | 65.2 | Low | 88 Ų | 88 | 102.9 Ų | 102.9 | 43% | 0.433 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59 | -42.1 | 176 | -67.5 | -68.5 | -69.7 | 0 | 0 | 110.8 | L87 G93 T94 Y95 | L87-M91 HydrophobicContact CD2-CG 4.08Å; L87-M91 WeakPolarHBondContact O-CG 3.41Å; L87-M91 PolarHBondContact O-N 3.12Å; M91-G93 VanDerWaalsContact C-N 3.35Å; M91-G93 PolarHBondContact O-N 3.43Å; M91-T94 WeakPolarHBondContact CA-OG1 3.32Å; M91-T94 PolarHBondContact O-N 3.41Å; M91-T94 PolarHBondContact O-OG1 2.85Å; M91-Y95 HydrophobicContact CB-CD2 4.43Å; M91-Y95 HydrophobicContact CB-CE2 4.33Å; M91-Y95 HydrophobicContact CE-CE2 3.95Å; M91-Y95 WeakPolarHBondContact O-CB 3.38Å; M91-Y95 WeakPolarHBondContact O-CD2 3.46Å; M91-Y95 PolarHBondContact O-N 2.83Å |
| 92 | L | 73.1 | Confident | 65.4 | Low | 113 Ų | 113 | 104 Ų | 104 | 59% | 0.592 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.7 | -37.3 | 176.4 | -173.7 | 60.9 | 0 | 0 | 0 | 112.6 | S88 C90 T96 | S88-L92 PolarHBondContact O-N 2.88Å; S88-L92 VanDerWaalsContact O-N 3.14Å; C90-L92 VanDerWaalsContact C-N 3.29Å; C90-L92 PolarHBondContact O-N 3.39Å; L92-T96 WeakPolarHBondContact O-CB 3.32Å; L92-T96 PolarHBondContact O-N 2.79Å; L92-T96 PolarHBondContact O-OG1 2.89Å |
| 93 | G | 70.7 | Confident | 65.2 | Low | 40 Ų | 40 | 102.5 Ų | 102.5 | 41% | 0.412 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T89 C90 M91 T96 Q97 | T89-G93 PolarHBondContact O-N 3.48Å; C90-G93 PolarHBondContact O-N 2.95Å; C90-G93 VanDerWaalsContact O-N 3.12Å; M91-G93 VanDerWaalsContact C-N 3.35Å; M91-G93 PolarHBondContact O-N 3.43Å; G93-T96 PolarHBondContact O-N 3.24Å; G93-Q97 WeakPolarHBondContact O-CB 2.96Å; G93-Q97 PolarHBondContact O-N 2.86Å |
| 94 | T | 70.4 | Confident | 65 | Low | 69 Ų | 69 | 97.5 Ų | 97.5 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 175.5 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | C90 M91 T96 Q97 D98 | C90-T94 WeakPolarHBondContact O-CG2 3.48Å; C90-T94 PolarHBondContact O-N 3.36Å; C90-T94 PolarHBondContact O-OG1 2.95Å; M91-T94 WeakPolarHBondContact CA-OG1 3.32Å; M91-T94 PolarHBondContact O-N 3.41Å; M91-T94 PolarHBondContact O-OG1 2.85Å; T94-T96 VanDerWaalsContact C-N 3.33Å; T94-T96 PolarHBondContact O-N 2.7Å; T94-Q97 PolarHBondContact O-N 3.43Å; T94-D98 WeakPolarHBondContact O-CB 3.37Å; T94-D98 PolarHBondContact O-N 3.21Å |
| 95 | Y | 69.8 | Low | 64.7 | Low | 122 Ų | 122 | 103 Ų | 103 | 48% | 0.478 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59 | -43.9 | 172.3 | -78.8 | -59.6 | 0 | 0 | 0 | 111.5 | M91 Q97 D98 F99 | M91-Y95 HydrophobicContact CB-CD2 4.43Å; M91-Y95 HydrophobicContact CB-CE2 4.33Å; M91-Y95 HydrophobicContact CE-CE2 3.95Å; M91-Y95 WeakPolarHBondContact O-CB 3.38Å; M91-Y95 WeakPolarHBondContact O-CD2 3.46Å; M91-Y95 PolarHBondContact O-N 2.83Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 2.8Å; Y95-D98 PolarHBondContact O-N 3.35Å; Y95-F99 HydrophobicContact CD1-CE2 4.45Å; Y95-F99 WeakPolarHBondContact O-CB 3.26Å; Y95-F99 WeakPolarHBondContact O-CD2 2.95Å; Y95-F99 WeakPolarHBondContact O-CG 3.44Å; Y95-F99 PolarHBondContact O-N 2.87Å |
| 96 | T | 70.4 | Confident | 63.9 | Low | 82 Ų | 82 | 103 Ų | 103 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 178.3 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | L92 G93 T94 N100 | L92-T96 WeakPolarHBondContact O-CB 3.32Å; L92-T96 PolarHBondContact O-N 2.79Å; L92-T96 PolarHBondContact O-OG1 2.89Å; G93-T96 PolarHBondContact O-N 3.24Å; T94-T96 VanDerWaalsContact C-N 3.33Å; T94-T96 PolarHBondContact O-N 2.7Å; T96-N100 VanDerWaalsContact O-CB 3.26Å; T96-N100 WeakPolarHBondContact O-CB 2.96Å; T96-N100 PolarHBondContact O-N 2.86Å |
| 97 | Q | 69.4 | Low | 63.5 | Low | 138 Ų | 138 | 106.9 Ų | 106.9 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -39.8 | 174.2 | -177.8 | 174.7 | 5.4 | 0 | 0 | 111.8 | G93 T94 Y95 N100 K101 | G93-Q97 WeakPolarHBondContact O-CB 2.96Å; G93-Q97 PolarHBondContact O-N 2.86Å; T94-Q97 PolarHBondContact O-N 3.43Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 2.8Å; Q97-N100 PolarHBondContact O-N 3.35Å; Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 3.45Å |
| 98 | D | 68.6 | Low | 62.9 | Low | 71 Ų | 71 | 104.9 Ų | 104.9 | 38% | 0.38 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 178.8 | -154.6 | 34.5 | 0 | 0 | 0 | 110.9 | T94 Y95 N100 K101 F102 | T94-D98 WeakPolarHBondContact O-CB 3.37Å; T94-D98 PolarHBondContact O-N 3.21Å; Y95-D98 PolarHBondContact O-N 3.35Å; D98-N100 PolarHBondContact O-N 3.11Å; D98-K101 WeakPolarHBondContact O-CA 3.47Å; D98-K101 VanDerWaalsContact O-CB 3.29Å; D98-K101 WeakPolarHBondContact O-CB 3.14Å; D98-K101 PolarHBondContact O-N 2.95Å; D98-K101 VanDerWaalsContact O-N 3.11Å; D98-F102 HydrophobicContact CB-CE2 4.49Å; D98-F102 WeakPolarHBondContact O-CD2 3.48Å; D98-F102 PolarHBondContact O-N 3.35Å |
| 99 | F | 66.9 | Low | 62.1 | Low | 122 Ų | 122 | 104.2 Ų | 104.2 | 54% | 0.535 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 169.6 | -71.6 | -58.4 | 0 | 0 | 0 | 112.3 | Y95 K101 F102 H103 | Y95-F99 HydrophobicContact CD1-CE2 4.45Å; Y95-F99 WeakPolarHBondContact O-CB 3.26Å; Y95-F99 WeakPolarHBondContact O-CD2 2.95Å; Y95-F99 WeakPolarHBondContact O-CG 3.44Å; Y95-F99 PolarHBondContact O-N 2.87Å; F99-K101 PolarHBondContact O-N 3.13Å; F99-F102 HydrophobicContact CD1-CD2 4.48Å; F99-F102 CarbonylContact O-C 3.53Å; F99-F102 PolarHBondContact O-N 2.88Å; F99-F102 VanDerWaalsContact O-N 3.13Å; F99-H103 WeakPolarHBondContact O-CB 3.46Å; F99-H103 PolarHBondContact O-CD2 3.13Å; F99-H103 PolarHBondContact O-N 2.79Å |
| 100 | N | 63.8 | Low | 61.2 | Low | 97 Ų | 97 | 109.6 Ų | 109.6 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.2 | -30.3 | 175.5 | -164.2 | 12.2 | 0 | 0 | 0 | 111.7 | T96 Q97 D98 H103 T104 | T96-N100 VanDerWaalsContact O-CB 3.26Å; T96-N100 WeakPolarHBondContact O-CB 2.96Å; T96-N100 PolarHBondContact O-N 2.86Å; Q97-N100 PolarHBondContact O-N 3.35Å; D98-N100 PolarHBondContact O-N 3.11Å; N100-H103 CarbonylContact O-C 3.56Å; N100-H103 PolarHBondContact O-N 3.36Å; N100-T104 WeakPolarHBondContact O-CB 3.29Å; N100-T104 PolarHBondContact O-N 2.75Å; N100-T104 PolarHBondContact O-OG1 2.7Å; N100-T104 PolarHBondContact OD1-OG1 3.33Å |
| 101 | K | 58.9 | Low | 60.1 | Low | 143 Ų | 143 | 110 Ų | 110 | 62% | 0.622 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.6 | -38.3 | 171.6 | -171.5 | -179.1 | 177.7 | -174.8 | 0 | 111.7 | Q97 D98 F99 F105 | Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 3.45Å; D98-K101 WeakPolarHBondContact O-CA 3.47Å; D98-K101 VanDerWaalsContact O-CB 3.29Å; D98-K101 WeakPolarHBondContact O-CB 3.14Å; D98-K101 PolarHBondContact O-N 2.95Å; D98-K101 VanDerWaalsContact O-N 3.11Å; F99-K101 PolarHBondContact O-N 3.13Å; K101-F105 PolarHBondContact O-N 3.2Å; K101-F105 VanDerWaalsContact O-N 3.13Å |
| 102 | F | 60 | Low | 58.3 | Low | 132 Ų | 132 | 113.8 Ų | 113.8 | 58% | 0.579 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.2 | -32.1 | 170.7 | -65.6 | -62.4 | 0 | 0 | 0 | 113 | D98 F99 F105 | D98-F102 HydrophobicContact CB-CE2 4.49Å; D98-F102 WeakPolarHBondContact O-CD2 3.48Å; D98-F102 PolarHBondContact O-N 3.35Å; F99-F102 HydrophobicContact CD1-CD2 4.48Å; F99-F102 CarbonylContact O-C 3.53Å; F99-F102 PolarHBondContact O-N 2.88Å; F99-F102 VanDerWaalsContact O-N 3.13Å; F102-F105 CarbonylContact O-C 3.4Å |
| 103 | H | 52.7 | Low | 57.4 | Low | 148 Ų | 148 | 111.9 Ų | 111.9 | 69% | 0.685 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -81.8 | -22.3 | 175.2 | -82.5 | -77.3 | 0 | 0 | 0 | 114 | F99 N100 P106 | F99-H103 WeakPolarHBondContact O-CB 3.46Å; F99-H103 PolarHBondContact O-CD2 3.13Å; F99-H103 PolarHBondContact O-N 2.79Å; N100-H103 CarbonylContact O-C 3.56Å; N100-H103 PolarHBondContact O-N 3.36Å; H103-P106 WeakPolarHBondContact O-CD 3.44Å |
| 104 | T | 53.4 | Low | 56.2 | Low | 95 Ų | 95 | 112.8 Ų | 112.8 | 58% | 0.583 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -86.3 | -17.1 | 175.2 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | N100 P106 | N100-T104 WeakPolarHBondContact O-CB 3.29Å; N100-T104 PolarHBondContact O-N 2.75Å; N100-T104 PolarHBondContact O-OG1 2.7Å; N100-T104 PolarHBondContact OD1-OG1 3.33Å; T104-P106 WeakPolarHBondContact O-CD 3.35Å |
| 105 | F | 53.8 | Low | 55.4 | Low | 171 Ų | 171 | 115.9 Ų | 115.9 | 75% | 0.75 | 64% | 0.641 | S | S | * | * | trans | -117.1 | 72.5 | 163.3 | -90.7 | -86.6 | 0 | 0 | 0 | 111.8 | K101 F102 Q107 | K101-F105 PolarHBondContact O-N 3.2Å; K101-F105 VanDerWaalsContact O-N 3.13Å; F102-F105 CarbonylContact O-C 3.4Å; F105-Q107 PolarHBondContact O-N 3.37Å | ||
| 106 | P | 48.1 | Very low | 54.3 | Low | 72 Ų | 72 | 114 Ų | 114 | 47% | 0.468 | 66% | 0.659 | S | S | . | * | trans | -73.3 | 113.3 | 144.5 | 28.5 | -13.8 | 0 | 0 | 0 | 105.3 | H103 T104 T108 | H103-P106 WeakPolarHBondContact O-CD 3.44Å; T104-P106 WeakPolarHBondContact O-CD 3.35Å; P106-T108 HydrophobicContact CB-CG2 3.76Å; P106-T108 PolarHBondContact O-N 2.75Å | ||
| 107 | Q | 50.4 | Low | 53.1 | Low | 195 Ų | 195 | 119.3 Ų | 119.3 | 91% | 0.911 | 68% | 0.675 | S | S | * | * | trans | -63.9 | 75.6 | 149.3 | -84.8 | -162.3 | -17.3 | 0 | 0 | 107.6 | F105 | F105-Q107 PolarHBondContact O-N 3.37Š| ||
| 108 | T | 46.1 | Very low | 52.3 | Low | 99 Ų | 99 | 122.6 Ų | 122.6 | 61% | 0.607 | 69% | 0.687 | S | S | * | * | trans | -97.4 | 90.4 | 164.6 | 48.1 | 0 | 0 | 0 | 0 | 107.2 | P106 | P106-T108 HydrophobicContact CB-CG2 3.76Å; P106-T108 PolarHBondContact O-N 2.75Å | ||
| 109 | A | 48.4 | Very low | 51.4 | Low | 74 Ų | 74 | 129.6 Ų | 129.6 | 61% | 0.612 | 71% | 0.708 | S | S | * | * | trans | 32.2 | 108.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | G111 | A109-G111 PolarHBondContact O-N 2.97Š| ||
| 110 | I | 45.6 | Very low | 50.7 | Low | 193 Ų | 193 | 131.4 Ų | 131.4 | 99% | 0.99 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -79.5 | 56.8 | 158.5 | -48 | 175.3 | 0 | 0 | 0 | 108.8 | ||
| 111 | G | 45.1 | Very low | 49.9 | Very low | 45 Ų | 45 | 134.2 Ų | 134.2 | 46% | 0.464 | 74% | 0.735 | S | S | . | * | S | Bend | trans | -121.1 | 147.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | A109 G113 | A109-G111 PolarHBondContact O-N 2.97Å; G111-G113 VanDerWaalsContact C-N 3.32Å; G111-G113 PolarHBondContact O-N 3.25Å |
| 112 | V | 39.7 | Very low | 49.2 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 100% | 1.018 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 85.1 | -173.3 | -167.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 113 | G | 53.9 | Low | 48.6 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.1 | 0.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | G111 | G111-G113 VanDerWaalsContact C-N 3.32Å; G111-G113 PolarHBondContact O-N 3.25Å |
| 114 | A | 45.1 | Very low | 48.3 | Very low | 60 Ų | 60 | 131.5 Ų | 131.5 | 50% | 0.496 | 76% | 0.755 | S | S | . | * | trans | -74.5 | 140.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 115 | P | 52.5 | Low | 48.4 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | trans | -87.4 | 135 | -165.7 | 6 | 13.1 | 0 | 0 | 0 | 112.3 | ||||
| 116 | G | 47.2 | Very low | 48.1 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | 118.9 | 60.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 117 | K | 45.2 | Very low | 48 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -127.1 | 110.7 | 146.4 | -169.6 | 160.9 | -179.6 | 173 | 0 | 108.3 | R119 | K117-R119 PolarHBondContact O-N 3.08Š| ||
| 118 | K | 53.9 | Low | 47.4 | Very low | 208 Ų | 208 | 140.5 Ų | 140.5 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -55.4 | 108.1 | 170.7 | -72.6 | -144.6 | 176.5 | -157.3 | 0 | 107.7 | D120 | K118-D120 VanDerWaalsContact C-N 3.33Å; K118-D120 PolarHBondContact O-N 2.76Å | ||
| 119 | R | 49.3 | Very low | 47.4 | Very low | 218 Ų | 218 | 144.9 Ų | 144.9 | 82% | 0.823 | 80% | 0.8 | S | S | * | * | trans | -81.6 | 92.2 | 163.6 | -58.5 | -177.3 | -160.3 | 153 | 4 | 104.9 | K117 M121 | K117-R119 PolarHBondContact O-N 3.08Å; R119-M121 HydrophobicContact CB-CG 3.98Å; R119-M121 PolarHBondContact O-N 2.96Å; R119-M121 VanDerWaalsContact O-N 3.08Å | ||
| 120 | D | 52.7 | Low | 46.8 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -72.3 | 91.1 | 151.3 | -145.2 | -5.6 | 0 | 0 | 0 | 104.7 | K118 | K118-D120 VanDerWaalsContact C-N 3.33Å; K118-D120 PolarHBondContact O-N 2.76Å | ||
| 121 | M | 45.9 | Very low | 46.4 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -109.2 | 88.6 | 169.8 | -79.5 | -85.9 | 172.4 | 0 | 0 | 103.9 | R119 S123 | R119-M121 HydrophobicContact CB-CG 3.98Å; R119-M121 PolarHBondContact O-N 2.96Å; R119-M121 VanDerWaalsContact O-N 3.08Å; M121-S123 PolarHBondContact O-N 3.15Å; M121-S123 VanDerWaalsContact O-N 3.11Å | ||
| 122 | S | 45.2 | Very low | 46 | Very low | 103 Ų | 103 | 161.1 Ų | 161.1 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | -42.7 | 121 | 157.9 | 50.6 | 0 | 0 | 0 | 0 | 107.4 | D124 | S122-D124 PolarHBondContact O-N 2.96Š| ||
| 123 | S | 45.8 | Very low | 46.4 | Very low | 105 Ų | 105 | 159.1 Ų | 159.1 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -42.8 | 103.2 | 177.7 | 49.7 | 0 | 0 | 0 | 0 | 111.8 | M121 L125 | M121-S123 PolarHBondContact O-N 3.15Å; M121-S123 VanDerWaalsContact O-N 3.11Å; S123-L125 PolarHBondContact O-N 3.11Å; S123-L125 VanDerWaalsContact O-N 3.15Å | ||
| 124 | D | 47.4 | Very low | 45.7 | Very low | 158 Ų | 158 | 160.8 Ų | 160.8 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -85.4 | 45 | 163.8 | -150.2 | 8.9 | 0 | 0 | 0 | 109.9 | S122 E126 | S122-D124 PolarHBondContact O-N 2.96Å; D124-E126 VanDerWaalsContact C-N 3.33Å | ||
| 125 | L | 54.7 | Low | 46 | Very low | 156 Ų | 156 | 165.4 Ų | 165.4 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | trans | -101.6 | 43.7 | 168.9 | -166.6 | 72 | 0 | 0 | 0 | 109.3 | S123 | S123-L125 PolarHBondContact O-N 3.11Å; S123-L125 VanDerWaalsContact O-N 3.15Å | ||
| 126 | E | 48.7 | Very low | 45.8 | Very low | 172 Ų | 172 | 165.2 Ų | 165.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -161.3 | 90.5 | 166.4 | -157.1 | 146.7 | 125.3 | 0 | 0 | 111.1 | D124 | D124-E126 VanDerWaalsContact C-N 3.33Š|
| 127 | R | 44.7 | Very low | 45.8 | Very low | 223 Ų | 223 | 169.7 Ų | 169.7 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | 160.6 | 66.4 | 140.4 | -170.5 | -178.4 | -58.4 | 160.5 | 3.7 | 111.4 | ||||
| 128 | N | 39.2 | Very low | 45.5 | Very low | 172 Ų | 172 | 168.9 Ų | 168.9 | 92% | 0.92 | 82% | 0.824 | S | S | * | * | trans | -136 | 39.4 | 155.2 | -92.1 | -53.9 | 0 | 0 | 0 | 112 | ||||
| 129 | H | 45 | Very low | 45 | Very low | 191 Ų | 191 | 163.8 Ų | 163.8 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -117.2 | 112.4 | 154.5 | -101.6 | -24.8 | 0 | 0 | 0 | 110.5 | ||
| 130 | R | 36.1 | Very low | 44.8 | Very low | 227 Ų | 227 | 164.7 Ų | 164.7 | 86% | 0.857 | 84% | 0.842 | S | S | * | * | trans | 94.9 | 124.9 | 147.3 | -147.8 | -171.4 | -83.6 | -144.1 | -1.2 | 117.1 | ||||
| 131 | R | 36.6 | Very low | 44.4 | Very low | 213 Ų | 213 | 165 Ų | 165 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | 89.7 | 106.4 | 164.5 | -55.6 | -168.6 | -170.6 | 154.9 | 2.4 | 116.2 | ||||
| 132 | Y | 37.9 | Very low | 44.3 | Very low | 212 Ų | 212 | 165.5 Ų | 165.5 | 83% | 0.831 | 85% | 0.845 | S | S | * | * | -158.8 | 124.8 | 84.8 | -116.9 | -96.1 | 0 | 0 | 0 | 110.6 | |||||
| 133 | V | 47.4 | Very low | 44.3 | Very low | 127 Ų | 127 | 168.9 Ų | 168.9 | 77% | 0.77 | 85% | 0.852 | S | S | * | * | trans | -68.8 | 130.4 | 158.3 | 162.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 134 | S | 39.9 | Very low | 44.2 | Very low | 107 Ų | 107 | 172.7 Ų | 172.7 | 75% | 0.748 | 86% | 0.859 | S | S | * | * | trans | -152.9 | 114.3 | 158.5 | 37.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 135 | M | 51.8 | Low | 44 | Very low | 158 Ų | 158 | 173.6 Ų | 173.6 | 78% | 0.778 | 86% | 0.86 | S | S | * | * | trans | -56.5 | 153 | 172.6 | -60.3 | -75.4 | -174.9 | 0 | 0 | 112 | ||||
| 136 | P | 46.6 | Very low | 43.3 | Very low | 129 Ų | 129 | 174.8 Ų | 174.8 | 84% | 0.838 | 86% | 0.863 | S | S | * | * | trans | -82.2 | 113 | 152.7 | 18.3 | -3.8 | 0 | 0 | 0 | 109.3 | ||||
| 137 | Q | 47.9 | Very low | 42.9 | Very low | 178 Ų | 178 | 175 Ų | 175 | 83% | 0.832 | 87% | 0.867 | S | S | * | * | trans | -85.6 | 125.1 | 149.7 | -79.7 | 178.9 | 13.2 | 0 | 0 | 106.3 | ||||
| 138 | D | 39.6 | Very low | 42.7 | Very low | 174 Ų | 174 | 171.3 Ų | 171.3 | 93% | 0.93 | 87% | 0.869 | S | S | * | * | trans | -150.8 | 135.5 | 138.5 | -87.8 | -36.7 | 0 | 0 | 0 | 108.5 | ||||
| 139 | A | 43.1 | Very low | 43 | Very low | 102 Ų | 102 | 171.3 Ų | 171.3 | 84% | 0.843 | 87% | 0.865 | S | S | * | * | trans | -107.1 | 134.2 | -169 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 140 | N | 44.6 | Very low | 42.9 | Very low | 237 Ų | 237 | 169.5 Ų | 169.5 | 100% | 1.267 | 86% | 0.863 | S | S | * | * | -175.4 | 0 | 128.4 | -171.5 | 26.4 | 0 | 0 | 0 | 108.2 |
Retrieved 140 of 140 residues in 277.1 ms
(Link to these results)