| 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 | 33 | Very low | 42.7 | Very low | 246 Ų | 246 | 158.2 Ų | 158.2 | 100% | 1.212 | 81% | 0.811 | S | S | * | * | 0 | 104 | 0 | -73.3 | 174.5 | 170.4 | 0 | 0 | 107.1 | |||||
| 2 | L | 35.4 | Very low | 42.5 | Very low | 163 Ų | 163 | 160.1 Ų | 160.1 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -73 | 136.9 | 175.4 | -78.1 | 149.4 | 0 | 0 | 0 | 108.2 | L4 | L2-L4 PolarHBondContact O-N 3.49Š| ||
| 3 | P | 33.9 | Very low | 42.5 | Very low | 130 Ų | 130 | 155.5 Ų | 155.5 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | trans | -69.9 | 104.3 | 177.2 | 28.1 | -30 | 0 | 0 | 0 | 108.8 | ||||
| 4 | L | 47.9 | Very low | 43.2 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -75.5 | 146.7 | 162.4 | -81.4 | 157.4 | 0 | 0 | 0 | 108.8 | L2 | L2-L4 PolarHBondContact O-N 3.49Š| ||
| 5 | S | 45.3 | Very low | 43.7 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | 79.8 | 90.2 | 175.1 | -162 | 0 | 0 | 0 | 0 | 114.9 | K7 | S5-K7 PolarHBondContact O-N 3.14Š| ||
| 6 | I | 42.6 | Very low | 44.3 | Very low | 156 Ų | 156 | 154 Ų | 154 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -66 | 118 | 143.1 | -70.2 | 166.6 | 0 | 0 | 0 | 105 | D8 | I6-D8 PolarHBondContact O-N 3.31Š| ||
| 7 | K | 37.9 | Very low | 45.1 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 70% | 0.704 | 77% | 0.77 | S | S | * | * | trans | -63 | 120.9 | 174.1 | -114.5 | 176.5 | 170.4 | -177 | 0 | 108.8 | S5 D9 | S5-K7 PolarHBondContact O-N 3.14Å; K7-D9 PolarHBondContact O-N 2.86Å | ||
| 8 | D | 49.9 | Very low | 45.9 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 65% | 0.652 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -70 | 9.4 | 176.4 | -73.9 | -41.1 | 0 | 0 | 0 | 114.5 | I6 E10 Y11 | I6-D8 PolarHBondContact O-N 3.31Å; D8-E10 PolarHBondContact O-N 3.16Å; D8-Y11 PolarHBondContact O-N 3.32Å |
| 9 | D | 50.6 | Low | 46.5 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 3.9 | -176.8 | -73.4 | -31.6 | 0 | 0 | 0 | 114.2 | K7 | K7-D9 PolarHBondContact O-N 2.86Š|
| 10 | E | 46.3 | Very low | 47.4 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 23.3 | 172.8 | -147.2 | 168.5 | 170.5 | 0 | 0 | 113.9 | D8 K12 | D8-E10 PolarHBondContact O-N 3.16Å; E10-K12 PolarHBondContact O-N 2.94Å |
| 11 | Y | 46.9 | Very low | 48.4 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | -86.6 | 86.5 | 163 | -168.4 | -100.8 | 0 | 0 | 0 | 110.1 | D8 P13 | D8-Y11 PolarHBondContact O-N 3.32Å; Y11-P13 WeakPolarHBondContact O-CD 3.49Å | ||
| 12 | K | 40.4 | Very low | 50 | Low | 181 Ų | 181 | 135.9 Ų | 135.9 | 79% | 0.787 | 70% | 0.698 | S | S | * | * | trans | -62 | 120.7 | 161.5 | -73.5 | 177.8 | -178.7 | 170.5 | 0 | 106.9 | E10 A14 | E10-K12 PolarHBondContact O-N 2.94Å; K12-A14 PolarHBondContact O-N 2.96Å | ||
| 13 | P | 41.8 | Very low | 51.4 | Low | 100 Ų | 100 | 131.4 Ų | 131.4 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | trans | -60.5 | 110.8 | 176.8 | 25.1 | -31.7 | 0 | 0 | 0 | 106.8 | Y11 K15 | Y11-P13 WeakPolarHBondContact O-CD 3.49Å; P13-K15 PolarHBondContact O-N 2.81Å | ||
| 14 | A | 52.2 | Low | 53 | Low | 74 Ų | 74 | 127 Ų | 127 | 61% | 0.612 | 66% | 0.659 | S | S | * | * | trans | -52.3 | 122.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | K12 F16 | K12-A14 PolarHBondContact O-N 2.96Å; A14-F16 PolarHBondContact O-N 2.77Å | ||
| 15 | K | 51.8 | Low | 54.1 | Low | 180 Ų | 180 | 122.9 Ų | 122.9 | 78% | 0.783 | 63% | 0.632 | S | S | * | * | trans | -37.2 | 123.7 | 170.5 | -68.1 | -178.5 | 178.7 | -178.3 | 0 | 106.6 | P13 N17 | P13-K15 PolarHBondContact O-N 2.81Å; K15-N17 PolarHBondContact O-N 2.89Å | ||
| 16 | F | 53 | Low | 55.3 | Low | 189 Ų | 189 | 122.4 Ų | 122.4 | 83% | 0.829 | 62% | 0.617 | S | S | * | * | trans | -58.4 | 76.1 | -177.2 | -96.6 | -97.3 | 0 | 0 | 0 | 109.6 | A14 L18 | A14-F16 PolarHBondContact O-N 2.77Å; F16-L18 PolarHBondContact O-N 3.08Å | ||
| 17 | N | 57.7 | Low | 56.8 | Low | 95 Ų | 95 | 124.7 Ų | 124.7 | 51% | 0.508 | 62% | 0.615 | S | S | . | * | trans | -84.2 | 72.4 | 177.2 | -76.5 | -2.2 | 0 | 0 | 0 | 105.5 | K15 L19 V20 K21 | K15-N17 PolarHBondContact O-N 2.89Å; N17-L19 PolarHBondContact O-N 2.99Å; N17-L19 VanDerWaalsContact O-N 3.16Å; N17-V20 HydrophobicContact CB-CB 3.88Å; N17-V20 HydrophobicContact CB-CG2 3.75Å; N17-V20 WeakPolarHBondContact O-CA 3.44Å; N17-V20 PolarHBondContact O-N 3.05Å; N17-K21 PolarHBondContact O-N 3.24Å | ||
| 18 | L | 59.8 | Low | 58.1 | Low | 114 Ų | 114 | 119.5 Ų | 119.5 | 60% | 0.597 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -51.1 | -36.7 | 177.4 | -148.8 | 153.6 | 0 | 0 | 0 | 109.6 | F16 K21 L22 | F16-L18 PolarHBondContact O-N 3.08Å; L18-K21 PolarHBondContact O-N 3.3Å; L18-L22 HydrophobicContact CD2-CD1 3.45Å; L18-L22 VanDerWaalsContact CD2-CD1 3.45Å; L18-L22 HydrophobicContact CD2-CG 3.87Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 3.06Å |
| 19 | L | 56.8 | Low | 59.2 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 73% | 0.733 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.3 | -38.4 | 172.9 | -66 | 175.2 | 0 | 0 | 0 | 114.4 | N17 L22 S23 | N17-L19 PolarHBondContact O-N 2.99Å; N17-L19 VanDerWaalsContact O-N 3.16Å; L19-L22 HydrophobicContact CD2-CD1 4.49Å; L19-S23 VanDerWaalsContact O-CB 3.31Å; L19-S23 WeakPolarHBondContact O-CB 3.38Å; L19-S23 PolarHBondContact O-N 2.87Å; L19-S23 PolarHBondContact O-OG 3.1Å |
| 20 | V | 65.7 | Low | 60.3 | Low | 92 Ų | 92 | 111.2 Ų | 111.2 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.7 | -41.3 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 110 | N17 S23 G24 | N17-V20 HydrophobicContact CB-CB 3.88Å; N17-V20 HydrophobicContact CB-CG2 3.75Å; N17-V20 WeakPolarHBondContact O-CA 3.44Å; N17-V20 PolarHBondContact O-N 3.05Å; V20-S23 PolarHBondContact O-N 3.38Å; V20-S23 PolarHBondContact O-OG 3.07Å; V20-G24 PolarHBondContact O-N 2.97Å |
| 21 | K | 66.8 | Low | 61.5 | Low | 134 Ų | 134 | 106.5 Ų | 106.5 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 172.9 | -76 | -167.3 | 175.1 | -175.7 | 0 | 111.9 | N17 L18 S23 G24 W25 | N17-K21 PolarHBondContact O-N 3.24Å; L18-K21 PolarHBondContact O-N 3.3Å; K21-S23 VanDerWaalsContact C-N 3.33Å; K21-S23 PolarHBondContact O-N 3.04Å; K21-G24 WeakPolarHBondContact O-CA 3.31Å; K21-G24 PolarHBondContact O-N 2.81Å; K21-G24 VanDerWaalsContact O-N 3.11Å; K21-W25 PolarHBondContact O-N 3.37Å |
| 22 | L | 67.1 | Low | 62.7 | Low | 60 Ų | 60 | 100.9 Ų | 100.9 | 31% | 0.314 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 174.6 | -78.5 | 169.3 | 0 | 0 | 0 | 111.6 | L18 L19 G24 W25 F26 | L18-L22 HydrophobicContact CD2-CD1 3.45Å; L18-L22 VanDerWaalsContact CD2-CD1 3.45Å; L18-L22 HydrophobicContact CD2-CG 3.87Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 3.06Å; L19-L22 HydrophobicContact CD2-CD1 4.49Å; L22-G24 VanDerWaalsContact C-N 3.28Å; L22-G24 PolarHBondContact O-N 2.91Å; L22-W25 HydrophobicContact CD2-CE3 4Å; L22-W25 HydrophobicContact CD2-CZ3 4.26Å; L22-W25 PolarHBondContact O-N 3.24Å; L22-F26 WeakPolarHBondContact O-CB 3.26Å; L22-F26 PolarHBondContact O-N 3.28Å |
| 23 | S | 65.7 | Low | 64.2 | Low | 70 Ų | 70 | 97.4 Ų | 97.4 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -35.6 | 176.1 | 76.5 | 0 | 0 | 0 | 0 | 112.2 | L19 V20 K21 R27 | L19-S23 VanDerWaalsContact O-CB 3.31Å; L19-S23 WeakPolarHBondContact O-CB 3.38Å; L19-S23 PolarHBondContact O-N 2.87Å; L19-S23 PolarHBondContact O-OG 3.1Å; V20-S23 PolarHBondContact O-N 3.38Å; V20-S23 PolarHBondContact O-OG 3.07Å; K21-S23 VanDerWaalsContact C-N 3.33Å; K21-S23 PolarHBondContact O-N 3.04Å; S23-R27 WeakPolarHBondContact O-CB 3.33Å; S23-R27 PolarHBondContact O-N 3.01Å |
| 24 | G | 67.6 | Low | 65.4 | Low | 37 Ų | 37 | 95.6 Ų | 95.6 | 38% | 0.381 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V20 K21 L22 R27 S28 | V20-G24 PolarHBondContact O-N 2.97Å; K21-G24 WeakPolarHBondContact O-CA 3.31Å; K21-G24 PolarHBondContact O-N 2.81Å; K21-G24 VanDerWaalsContact O-N 3.11Å; L22-G24 VanDerWaalsContact C-N 3.28Å; L22-G24 PolarHBondContact O-N 2.91Å; G24-R27 PolarHBondContact O-N 3.46Å; G24-S28 PolarHBondContact O-N 2.97Å |
| 25 | W | 70.6 | Confident | 66.4 | Low | 78 Ų | 78 | 92.9 Ų | 92.9 | 30% | 0.295 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.6 | -48 | 175.3 | -64 | -1.3 | 0 | 0 | 0 | 111.4 | K21 L22 R27 S28 I29 V86 W90 | K21-W25 PolarHBondContact O-N 3.37Å; L22-W25 HydrophobicContact CD2-CE3 4Å; L22-W25 HydrophobicContact CD2-CZ3 4.26Å; L22-W25 PolarHBondContact O-N 3.24Å; W25-R27 VanDerWaalsContact C-N 3.29Å; W25-R27 PolarHBondContact O-N 3.4Å; W25-S28 WeakPolarHBondContact O-CB 3.31Å; W25-S28 PolarHBondContact O-N 2.71Å; W25-S28 VanDerWaalsContact O-N 3.07Å; W25-I29 WeakPolarHBondContact O-CG1 3.41Å; W25-I29 PolarHBondContact O-N 2.64Å; W25-V86 HydrophobicContact CB-CG1 4.24Å; W25-V86 HydrophobicContact CD2-CG1 4.34Å; W25-V86 HydrophobicContact CG-CG1 3.94Å; W25-W90 AromaticContact CE2-CZ2 3.63Å; W25-W90 HydrophobicContact CH2-CH2 4.13Å; W25-W90 HydrophobicContact CH2-CZ2 4.01Å; W25-W90 AromaticContact CZ2-CH2 3.6Å; W25-W90 HydrophobicContact CZ2-CH2 3.6Å; W25-W90 AromaticContact CZ2-CZ2 3.2Å; W25-W90 HydrophobicContact CZ2-CZ2 3.2Å; W25-W90 AromaticContact NE1-CZ2 3.77Å |
| 26 | F | 71.2 | Confident | 67.6 | Low | 95 Ų | 95 | 88.4 Ų | 88.4 | 42% | 0.417 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -54.9 | -46 | 174.6 | -102.7 | -92.1 | 0 | 0 | 0 | 111.7 | L22 S28 I29 L30 F39 | L22-F26 WeakPolarHBondContact O-CB 3.26Å; L22-F26 PolarHBondContact O-N 3.28Å; F26-S28 VanDerWaalsContact C-N 3.31Å; F26-S28 PolarHBondContact O-N 3.11Å; F26-I29 PolarHBondContact O-N 3.22Å; F26-L30 HydrophobicContact CD1-CD1 4.41Å; F26-L30 WeakPolarHBondContact O-CB 3.33Å; F26-L30 WeakPolarHBondContact O-CD1 3.42Å; F26-L30 PolarHBondContact O-N 3.19Å; F26-F39 HydrophobicContact CD1-CZ 4.3Å; F26-F39 HydrophobicContact CE1-CE1 4.15Å; F26-F39 AromaticContact CE1-CE2 3.72Å; F26-F39 HydrophobicContact CE1-CE2 3.72Å; F26-F39 AromaticContact CE1-CZ 3.36Å; F26-F39 HydrophobicContact CE1-CZ 3.36Å; F26-F39 AromaticContact CZ-CE2 3.96Å; F26-F39 HydrophobicContact CZ-CE2 3.96Å; F26-F39 AromaticContact CZ-CZ 3.91Å; F26-F39 HydrophobicContact CZ-CZ 3.91Å |
| 27 | R | 72.6 | Confident | 68.7 | Low | 204 Ų | 204 | 80.5 Ų | 80.5 | 77% | 0.77 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.8 | -35.5 | 178.3 | -164.3 | 169.6 | -175.6 | 167.3 | 0.7 | 112.4 | S23 G24 W25 A31 | S23-R27 WeakPolarHBondContact O-CB 3.33Å; S23-R27 PolarHBondContact O-N 3.01Å; G24-R27 PolarHBondContact O-N 3.46Å; W25-R27 VanDerWaalsContact C-N 3.29Å; W25-R27 PolarHBondContact O-N 3.4Å; R27-A31 WeakPolarHBondContact O-CB 3.3Å; R27-A31 PolarHBondContact O-N 2.99Å; R27-A31 VanDerWaalsContact O-N 3.12Å |
| 28 | S | 66.3 | Low | 69.6 | Low | 53 Ų | 53 | 76.5 Ų | 76.5 | 37% | 0.371 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 174.4 | -171.6 | 0 | 0 | 0 | 0 | 112.4 | G24 W25 F26 A31 | G24-S28 PolarHBondContact O-N 2.97Å; W25-S28 WeakPolarHBondContact O-CB 3.31Å; W25-S28 PolarHBondContact O-N 2.71Å; W25-S28 VanDerWaalsContact O-N 3.07Å; F26-S28 VanDerWaalsContact C-N 3.31Å; F26-S28 PolarHBondContact O-N 3.11Å; S28-A31 PolarHBondContact O-N 3.47Å |
| 29 | I | 72.9 | Confident | 70.6 | Confident | 17 Ų | 17 | 72.5 Ų | 72.5 | 9% | 0.087 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 177.3 | -68 | 163.7 | 0 | 0 | 0 | 110.4 | W25 F26 A31 S35 R36 F39 L82 V86 | W25-I29 WeakPolarHBondContact O-CG1 3.41Å; W25-I29 PolarHBondContact O-N 2.64Å; F26-I29 PolarHBondContact O-N 3.22Å; I29-A31 VanDerWaalsContact C-N 3.31Å; I29-A31 PolarHBondContact O-N 3.49Å; I29-S35 WeakPolarHBondContact O-CB 3.29Å; I29-R36 PolarHBondContact O-N 3.02Å; I29-F39 HydrophobicContact CG2-CB 3.74Å; I29-F39 HydrophobicContact CG2-CD2 4.29Å; I29-F39 HydrophobicContact CG2-CG 4.1Å; I29-L82 HydrophobicContact CD1-CD1 4.39Å; I29-L82 HydrophobicContact CD1-CD2 4.08Å; I29-L82 HydrophobicContact CD1-CG 4.09Å; I29-L82 HydrophobicContact CG1-CD1 4.19Å; I29-L82 HydrophobicContact CG1-CG 4.44Å; I29-L82 HydrophobicContact CG2-CD1 4.2Å; I29-L82 HydrophobicContact CG2-CD2 4.2Å; I29-V86 HydrophobicContact CD1-CG2 4.01Å; I29-V86 HydrophobicContact CG1-CG2 3.68Å |
| 30 | L | 72.9 | Confident | 71.8 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 37% | 0.366 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.1 | -22.8 | 179.5 | -84 | 152.1 | 0 | 0 | 0 | 114 | F26 R36 F40 | F26-L30 HydrophobicContact CD1-CD1 4.41Å; F26-L30 WeakPolarHBondContact O-CB 3.33Å; F26-L30 WeakPolarHBondContact O-CD1 3.42Å; F26-L30 PolarHBondContact O-N 3.19Å; L30-R36 HydrophobicContact CD2-CG 4.17Å; L30-R36 PolarHBondContact O-NH1 3.37Å; L30-F40 HydrophobicContact CD2-CZ 4.44Å |
| 31 | A | 72.4 | Confident | 72.5 | Confident | 80 Ų | 80 | 67.2 Ų | 67.2 | 66% | 0.661 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -74 | -36.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R27 S28 I29 | R27-A31 WeakPolarHBondContact O-CB 3.3Å; R27-A31 PolarHBondContact O-N 2.99Å; R27-A31 VanDerWaalsContact O-N 3.12Å; S28-A31 PolarHBondContact O-N 3.47Å; I29-A31 VanDerWaalsContact C-N 3.31Å; I29-A31 PolarHBondContact O-N 3.49Å |
| 32 | D | 71.3 | Confident | 73.2 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -86.8 | 129.4 | 179 | 178.1 | 61.4 | 0 | 0 | 0 | 111.1 | T34 S35 R36 | D32-T34 VanDerWaalsContact C-N 3.34Å; D32-T34 PolarHBondContact O-N 2.91Å; D32-T34 PolarHBondContact OD2-N 2.93Å; D32-S35 PolarHBondContact O-N 3.49Å; D32-S35 WeakPolarHBondContact OD2-CB 3.43Å; D32-S35 PolarHBondContact OD2-N 3.4Å; D32-S35 PolarHBondContact OD2-OG 3.47Å; D32-R36 WeakPolarHBondContact O-CB 3.36Å; D32-R36 PolarHBondContact O-N 3.27Å |
| 33 | K | 71 | Confident | 74.2 | Confident | 108 Ų | 108 | 60.6 Ų | 60.6 | 47% | 0.47 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | -174 | -168.6 | -176.7 | -177.4 | -164.3 | 0 | 111.6 | N37 G162 | K33-N37 VanDerWaalsContact O-CG 3.28Å; K33-N37 PolarHBondContact O-N 3.47Å; K33-N37 PolarHBondContact O-OD1 3.41Å; K33-G162 WeakPolarHBondContact CE-O 2.92Å; K33-G162 PolarHBondContact NZ-O 3.44Å |
| 34 | T | 68.8 | Low | 75.1 | Confident | 63 Ų | 63 | 60.1 Ų | 60.1 | 39% | 0.387 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.4 | -49 | -179.5 | -53.1 | 0 | 0 | 0 | 0 | 111 | D32 R36 N37 L38 L260 | D32-T34 VanDerWaalsContact C-N 3.34Å; D32-T34 PolarHBondContact O-N 2.91Å; D32-T34 PolarHBondContact OD2-N 2.93Å; T34-R36 VanDerWaalsContact C-N 3.3Å; T34-R36 PolarHBondContact O-N 3.49Å; T34-N37 PolarHBondContact O-N 3.3Å; T34-L38 PolarHBondContact O-N 3.28Å; T34-L260 HydrophobicContact CG2-CD1 4.17Å; T34-L260 HydrophobicContact CG2-CD2 3.9Å |
| 35 | S | 72.2 | Confident | 75.9 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 177.8 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | I29 D32 L38 F39 | I29-S35 WeakPolarHBondContact O-CB 3.29Å; D32-S35 PolarHBondContact O-N 3.49Å; D32-S35 WeakPolarHBondContact OD2-CB 3.43Å; D32-S35 PolarHBondContact OD2-N 3.4Å; D32-S35 PolarHBondContact OD2-OG 3.47Å; S35-L38 PolarHBondContact O-N 3.4Å; S35-F39 WeakPolarHBondContact O-CB 3.46Å; S35-F39 PolarHBondContact O-N 3.16Å |
| 36 | R | 77.7 | Confident | 76.7 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 33% | 0.328 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 175 | 179.5 | 173.5 | 67.8 | -150.4 | 5.8 | 112.4 | I29 L30 D32 T34 L38 F39 F40 | I29-R36 PolarHBondContact O-N 3.02Å; L30-R36 HydrophobicContact CD2-CG 4.17Å; L30-R36 PolarHBondContact O-NH1 3.37Å; D32-R36 WeakPolarHBondContact O-CB 3.36Å; D32-R36 PolarHBondContact O-N 3.27Å; T34-R36 VanDerWaalsContact C-N 3.3Å; T34-R36 PolarHBondContact O-N 3.49Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-F39 PolarHBondContact O-N 3.09Å; R36-F40 HydrophobicContact CG-CD2 3.67Å; R36-F40 HydrophobicContact CG-CE2 3.4Å; R36-F40 VanDerWaalsContact CG-CE2 3.4Å; R36-F40 HydrophobicContact CG-CZ 4.48Å; R36-F40 VanDerWaalsContact O-CD2 3.23Å; R36-F40 WeakPolarHBondContact O-CD2 3.33Å; R36-F40 PolarHBondContact O-N 3.45Å |
| 37 | N | 76.6 | Confident | 77.6 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 177 | -74.9 | 11.3 | 0 | 0 | 0 | 110.9 | K33 T34 F39 F40 F41 V158 | K33-N37 VanDerWaalsContact O-CG 3.28Å; K33-N37 PolarHBondContact O-N 3.47Å; K33-N37 PolarHBondContact O-OD1 3.41Å; T34-N37 PolarHBondContact O-N 3.3Å; N37-F39 VanDerWaalsContact C-N 3.34Å; N37-F39 PolarHBondContact O-N 3.19Å; N37-F40 PolarHBondContact O-N 3.2Å; N37-F41 WeakPolarHBondContact O-CB 3.38Å; N37-F41 PolarHBondContact O-N 3.12Å; N37-V158 HydrophobicContact CB-CG1 4.03Å; N37-V158 PolarHBondContact ND2-O 2.96Å |
| 38 | L | 74.7 | Confident | 78.3 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 175.1 | -167.7 | 151.2 | 0 | 0 | 0 | 112 | T34 S35 R36 F41 L42 L82 F159 V263 | T34-L38 PolarHBondContact O-N 3.28Å; S35-L38 PolarHBondContact O-N 3.4Å; R36-L38 VanDerWaalsContact C-N 3.32Å; L38-F41 PolarHBondContact O-N 3.26Å; L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 PolarHBondContact O-N 3.19Å; L38-L82 HydrophobicContact CD2-CB 4.13Å; L38-L82 HydrophobicContact CD2-CD1 4.19Å; L38-L82 HydrophobicContact CD2-CD2 4.28Å; L38-L82 HydrophobicContact CD2-CG 4.43Å; L38-F159 HydrophobicContact CB-CE1 4.34Å; L38-F159 HydrophobicContact CB-CZ 4.17Å; L38-F159 HydrophobicContact CG-CZ 4.41Å; L38-V263 HydrophobicContact CD1-CG2 3.72Å; L38-V263 HydrophobicContact CG-CG2 4.45Å |
| 39 | F | 81.3 | Confident | 79.3 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -45.9 | 175.9 | 179.2 | -97.6 | 0 | 0 | 0 | 112.8 | F26 I29 S35 R36 N37 F41 L42 C43 L82 | F26-F39 HydrophobicContact CD1-CZ 4.3Å; F26-F39 HydrophobicContact CE1-CE1 4.15Å; F26-F39 AromaticContact CE1-CE2 3.72Å; F26-F39 HydrophobicContact CE1-CE2 3.72Å; F26-F39 AromaticContact CE1-CZ 3.36Å; F26-F39 HydrophobicContact CE1-CZ 3.36Å; F26-F39 AromaticContact CZ-CE2 3.96Å; F26-F39 HydrophobicContact CZ-CE2 3.96Å; F26-F39 AromaticContact CZ-CZ 3.91Å; F26-F39 HydrophobicContact CZ-CZ 3.91Å; I29-F39 HydrophobicContact CG2-CB 3.74Å; I29-F39 HydrophobicContact CG2-CD2 4.29Å; I29-F39 HydrophobicContact CG2-CG 4.1Å; S35-F39 WeakPolarHBondContact O-CB 3.46Å; S35-F39 PolarHBondContact O-N 3.16Å; R36-F39 PolarHBondContact O-N 3.09Å; N37-F39 VanDerWaalsContact C-N 3.34Å; N37-F39 PolarHBondContact O-N 3.19Å; F39-F41 VanDerWaalsContact C-N 3.33Å; F39-F41 PolarHBondContact O-N 2.81Å; F39-L42 WeakPolarHBondContact O-CB 3.38Å; F39-L42 PolarHBondContact O-N 2.9Å; F39-C43 WeakPolarHBondContact CZ-SG 3.27Å; F39-C43 PolarHBondContact O-N 2.84Å; F39-C43 PolarHBondContact O-SG 3.22Å; F39-C43 VanDerWaalsContact O-SG 3.4Å; F39-L82 HydrophobicContact CB-CD2 4.28Å; F39-L82 HydrophobicContact CD2-CD2 3.96Å |
| 40 | F | 82.2 | Confident | 80.1 | Confident | 114 Ų | 114 | 50.1 Ų | 50.1 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 177.1 | -77.6 | -57.6 | 0 | 0 | 0 | 112.3 | L30 R36 N37 C43 L44 | L30-F40 HydrophobicContact CD2-CZ 4.44Å; R36-F40 HydrophobicContact CG-CD2 3.67Å; R36-F40 HydrophobicContact CG-CE2 3.4Å; R36-F40 VanDerWaalsContact CG-CE2 3.4Å; R36-F40 HydrophobicContact CG-CZ 4.48Å; R36-F40 VanDerWaalsContact O-CD2 3.23Å; R36-F40 WeakPolarHBondContact O-CD2 3.33Å; R36-F40 PolarHBondContact O-N 3.45Å; N37-F40 PolarHBondContact O-N 3.2Å; F40-C43 PolarHBondContact O-N 3.36Å; F40-L44 WeakPolarHBondContact O-CB 3.34Å; F40-L44 PolarHBondContact O-N 3.33Å |
| 41 | F | 80 | Confident | 80.9 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 173.9 | 177 | -106.7 | 0 | 0 | 0 | 111.7 | N37 L38 F39 C43 L44 N45 L78 G155 F159 V263 I267 | N37-F41 WeakPolarHBondContact O-CB 3.38Å; N37-F41 PolarHBondContact O-N 3.12Å; L38-F41 PolarHBondContact O-N 3.26Å; F39-F41 VanDerWaalsContact C-N 3.33Å; F39-F41 PolarHBondContact O-N 2.81Å; F41-C43 VanDerWaalsContact C-N 3.33Å; F41-C43 PolarHBondContact O-N 2.63Å; F41-L44 WeakPolarHBondContact O-CB 3.49Å; F41-L44 PolarHBondContact O-N 3Å; F41-L44 VanDerWaalsContact O-N 3.13Å; F41-N45 WeakPolarHBondContact CE1-ND2 3.4Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.27Å; F41-N45 PolarHBondContact O-N 3.35Å; F41-L78 HydrophobicContact CE1-CD1 4.34Å; F41-G155 VanDerWaalsContact CD2-CA 3.42Å; F41-F159 HydrophobicContact CB-CE2 3.85Å; F41-F159 HydrophobicContact CB-CZ 4.22Å; F41-F159 AromaticContact CD1-CE2 3.92Å; F41-F159 HydrophobicContact CD1-CE2 3.92Å; F41-F159 HydrophobicContact CD1-CZ 4.42Å; F41-F159 HydrophobicContact CD2-CE2 4.29Å; F41-F159 AromaticContact CG-CE2 3.72Å; F41-F159 HydrophobicContact CG-CE2 3.72Å; F41-F159 HydrophobicContact CG-CZ 4.41Å; F41-V263 HydrophobicContact CD1-CG1 4.32Å; F41-V263 HydrophobicContact CE1-CG1 4.31Å; F41-I267 HydrophobicContact CD1-CD1 3.97Å; F41-I267 HydrophobicContact CD2-CD1 4.38Å; F41-I267 HydrophobicContact CE1-CD1 3.44Å; F41-I267 VanDerWaalsContact CE1-CD1 3.44Å; F41-I267 HydrophobicContact CE1-CG1 3.55Å; F41-I267 HydrophobicContact CE2-CD1 3.91Å; F41-I267 HydrophobicContact CE2-CG1 4.18Å; F41-I267 HydrophobicContact CG-CD1 4.41Å; F41-I267 HydrophobicContact CZ-CD1 3.41Å; F41-I267 VanDerWaalsContact CZ-CD1 3.41Å; F41-I267 HydrophobicContact CZ-CG1 3.34Å; F41-I267 HydrophobicContact CZ-CG2 4.48Å |
| 42 | L | 83 | Confident | 81.5 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.1 | -46.5 | 174.6 | 176.5 | 72 | 0 | 0 | 0 | 111.7 | L38 F39 L44 L46 C75 L78 L79 | L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 PolarHBondContact O-N 3.19Å; F39-L42 WeakPolarHBondContact O-CB 3.38Å; F39-L42 PolarHBondContact O-N 2.9Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.05Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 PolarHBondContact O-N 3.05Å; L42-C75 HydrophobicContact CD1-CB 4.02Å; L42-C75 VanDerWaalsContact CD1-O 3.23Å; L42-C75 WeakPolarHBondContact CD1-O 3.35Å; L42-L78 HydrophobicContact CD1-CB 3.84Å; L42-L79 HydrophobicContact CD1-CB 4.49Å; L42-L79 HydrophobicContact CD2-CB 4.01Å; L42-L79 HydrophobicContact CD2-CD1 3.87Å |
| 43 | C | 86.1 | Confident | 82.4 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 32% | 0.318 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 177.8 | -72.6 | 0 | 0 | 0 | 0 | 112.4 | F39 F40 F41 S47 | F39-C43 WeakPolarHBondContact CZ-SG 3.27Å; F39-C43 PolarHBondContact O-N 2.84Å; F39-C43 PolarHBondContact O-SG 3.22Å; F39-C43 VanDerWaalsContact O-SG 3.4Å; F40-C43 PolarHBondContact O-N 3.36Å; F41-C43 VanDerWaalsContact C-N 3.33Å; F41-C43 PolarHBondContact O-N 2.63Å; C43-S47 VanDerWaalsContact O-CB 3.29Å; C43-S47 WeakPolarHBondContact O-CB 3.41Å; C43-S47 PolarHBondContact O-N 3.27Å; C43-S47 PolarHBondContact O-OG 3.37Å |
| 44 | L | 86.3 | Confident | 83.2 | Confident | 59 Ų | 59 | 46.1 Ų | 46.1 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -51.2 | 178.9 | -169.6 | 167.6 | 0 | 0 | 0 | 110.6 | F40 F41 L42 L46 S47 F48 V151 V154 | F40-L44 WeakPolarHBondContact O-CB 3.34Å; F40-L44 PolarHBondContact O-N 3.33Å; F41-L44 WeakPolarHBondContact O-CB 3.49Å; F41-L44 PolarHBondContact O-N 3Å; F41-L44 VanDerWaalsContact O-N 3.13Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.05Å; L44-L46 PolarHBondContact O-N 3.32Å; L44-S47 PolarHBondContact O-N 3.46Å; L44-F48 PolarHBondContact O-N 2.81Å; L44-V151 HydrophobicContact CD2-CB 3.87Å; L44-V151 HydrophobicContact CD2-CG1 3.23Å; L44-V151 HydrophobicContact CD2-CG2 3.78Å; L44-V154 HydrophobicContact CD1-CG1 3.81Å |
| 45 | N | 83.9 | Confident | 84 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 177 | -88.2 | 14.4 | 0 | 0 | 0 | 112.4 | F41 S47 F48 A49 V151 | F41-N45 WeakPolarHBondContact CE1-ND2 3.4Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.27Å; F41-N45 PolarHBondContact O-N 3.35Å; N45-S47 VanDerWaalsContact C-N 3.32Å; N45-S47 PolarHBondContact O-N 3.39Å; N45-F48 PolarHBondContact O-N 3.25Å; N45-A49 PolarHBondContact O-N 3.12Å; N45-V151 WeakPolarHBondContact OD1-CG1 3.46Å |
| 46 | L | 87.8 | Confident | 84.6 | Confident | 57 Ų | 57 | 45.6 Ų | 45.6 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 177.1 | -175.5 | 65.9 | 0 | 0 | 0 | 111.3 | L42 L44 F48 A49 F50 F72 C75 | L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 PolarHBondContact O-N 3.05Å; L44-L46 PolarHBondContact O-N 3.32Å; L46-F48 VanDerWaalsContact C-N 3.31Å; L46-F48 PolarHBondContact O-N 2.7Å; L46-A49 PolarHBondContact O-N 3.45Å; L46-F50 HydrophobicContact CD1-CD2 4.42Å; L46-F50 HydrophobicContact CD1-CE2 4.08Å; L46-F50 HydrophobicContact CG-CD2 4.26Å; L46-F50 HydrophobicContact CG-CE2 4.12Å; L46-F50 VanDerWaalsContact O-CD2 3.29Å; L46-F50 WeakPolarHBondContact O-CD2 3.18Å; L46-F50 PolarHBondContact O-N 3.44Å; L46-F50 VanDerWaalsContact O-N 3.1Å; L46-F72 HydrophobicContact CD1-CD2 3.89Å; L46-F72 HydrophobicContact CD1-CE2 4.06Å; L46-C75 HydrophobicContact CB-CB 4.44Å; L46-C75 HydrophobicContact CD1-CB 4.01Å |
| 47 | S | 89 | Confident | 84.9 | Confident | 73 Ų | 73 | 46.6 Ų | 46.6 | 51% | 0.51 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | C43 L44 N45 F50 V51 | C43-S47 VanDerWaalsContact O-CB 3.29Å; C43-S47 WeakPolarHBondContact O-CB 3.41Å; C43-S47 PolarHBondContact O-N 3.27Å; C43-S47 PolarHBondContact O-OG 3.37Å; L44-S47 PolarHBondContact O-N 3.46Å; N45-S47 VanDerWaalsContact C-N 3.32Å; N45-S47 PolarHBondContact O-N 3.39Å; S47-F50 PolarHBondContact O-N 2.7Å; S47-V51 WeakPolarHBondContact O-CG2 3.36Å; S47-V51 PolarHBondContact O-N 2.81Å |
| 48 | F | 87.9 | Confident | 85.4 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 10% | 0.101 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 176.2 | -177.3 | -110.3 | 0 | 0 | 0 | 112 | L44 N45 L46 F50 V51 E52 M71 A147 G148 V151 | L44-F48 PolarHBondContact O-N 2.81Å; N45-F48 PolarHBondContact O-N 3.25Å; L46-F48 VanDerWaalsContact C-N 3.31Å; L46-F48 PolarHBondContact O-N 2.7Å; F48-F50 VanDerWaalsContact C-N 3.26Å; F48-F50 PolarHBondContact O-N 2.93Å; F48-V51 WeakPolarHBondContact O-CA 3.3Å; F48-V51 WeakPolarHBondContact O-CB 3.43Å; F48-V51 PolarHBondContact O-N 2.93Å; F48-E52 HydrophobicContact CD1-CG 4.34Å; F48-E52 VanDerWaalsContact CE1-CD 3.42Å; F48-E52 HydrophobicContact CE1-CG 3.84Å; F48-E52 WeakPolarHBondContact CE1-OE1 3.44Å; F48-E52 HydrophobicContact CE2-CG 4.11Å; F48-E52 HydrophobicContact CZ-CG 3.7Å; F48-E52 WeakPolarHBondContact CZ-OE1 3.43Å; F48-E52 PolarHBondContact O-N 3.17Å; F48-M71 HydrophobicContact CD1-CE 3.69Å; F48-M71 HydrophobicContact CD1-SD 4.06Å; F48-M71 HydrophobicContact CE1-CE 3.82Å; F48-M71 HydrophobicContact CE1-SD 4.13Å; F48-A147 HydrophobicContact CE2-CB 3.85Å; F48-A147 HydrophobicContact CZ-CB 4.26Å; F48-G148 VanDerWaalsContact CE1-CA 3.44Å; F48-G148 VanDerWaalsContact CZ-N 3.27Å; F48-V151 HydrophobicContact CB-CG1 4.28Å; F48-V151 HydrophobicContact CB-CG2 4.25Å; F48-V151 HydrophobicContact CD1-CG1 4.33Å; F48-V151 HydrophobicContact CD2-CG2 3.86Å; F48-V151 HydrophobicContact CE2-CG2 4.39Å; F48-V151 HydrophobicContact CG-CB 4.47Å; F48-V151 HydrophobicContact CG-CG1 4.28Å; F48-V151 HydrophobicContact CG-CG2 3.96Å |
| 49 | A | 87 | Confident | 85.6 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.2 | -38.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N45 L46 L53 M71 | N45-A49 PolarHBondContact O-N 3.12Å; L46-A49 PolarHBondContact O-N 3.45Å; A49-L53 VanDerWaalsContact O-CB 3.28Å; A49-L53 WeakPolarHBondContact O-CB 3.36Å; A49-L53 PolarHBondContact O-N 3Å; A49-M71 HydrophobicContact CB-CB 4.07Å; A49-M71 HydrophobicContact CB-CE 4.08Å |
| 50 | F | 89.4 | Confident | 85.5 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 48% | 0.478 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 172.4 | -87.3 | -73.4 | 0 | 0 | 0 | 112.7 | L46 S47 F48 E52 L53 T54 F72 | L46-F50 HydrophobicContact CD1-CD2 4.42Å; L46-F50 HydrophobicContact CD1-CE2 4.08Å; L46-F50 HydrophobicContact CG-CD2 4.26Å; L46-F50 HydrophobicContact CG-CE2 4.12Å; L46-F50 VanDerWaalsContact O-CD2 3.29Å; L46-F50 WeakPolarHBondContact O-CD2 3.18Å; L46-F50 PolarHBondContact O-N 3.44Å; L46-F50 VanDerWaalsContact O-N 3.1Å; S47-F50 PolarHBondContact O-N 2.7Å; F48-F50 VanDerWaalsContact C-N 3.26Å; F48-F50 PolarHBondContact O-N 2.93Å; F50-E52 VanDerWaalsContact C-N 3.34Å; F50-L53 PolarHBondContact O-N 2.86Å; F50-T54 WeakPolarHBondContact O-CB 3.44Å; F50-T54 PolarHBondContact O-N 2.99Å; F50-T54 PolarHBondContact O-OG1 2.87Å; F50-F72 HydrophobicContact CZ-CE2 4.47Å |
| 51 | V | 89.6 | Confident | 85.2 | Confident | 91 Ų | 91 | 56.7 Ų | 56.7 | 55% | 0.552 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.7 | -47.7 | 177.4 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | S47 F48 T54 Y55 | S47-V51 WeakPolarHBondContact O-CG2 3.36Å; S47-V51 PolarHBondContact O-N 2.81Å; F48-V51 WeakPolarHBondContact O-CA 3.3Å; F48-V51 WeakPolarHBondContact O-CB 3.43Å; F48-V51 PolarHBondContact O-N 2.93Å; V51-T54 PolarHBondContact O-N 2.98Å; V51-Y55 WeakPolarHBondContact O-CB 3.41Å; V51-Y55 PolarHBondContact O-N 3.46Å |
| 52 | E | 86.7 | Confident | 84.7 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.028 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.4 | -69.7 | -164.3 | 163.4 | 0 | 0 | 112 | F48 F50 T54 Y55 G56 L64 S68 M71 V144 | F48-E52 HydrophobicContact CD1-CG 4.34Å; F48-E52 VanDerWaalsContact CE1-CD 3.42Å; F48-E52 HydrophobicContact CE1-CG 3.84Å; F48-E52 WeakPolarHBondContact CE1-OE1 3.44Å; F48-E52 HydrophobicContact CE2-CG 4.11Å; F48-E52 HydrophobicContact CZ-CG 3.7Å; F48-E52 WeakPolarHBondContact CZ-OE1 3.43Å; F48-E52 PolarHBondContact O-N 3.17Å; F50-E52 VanDerWaalsContact C-N 3.34Å; E52-T54 VanDerWaalsContact C-N 3.27Å; E52-T54 PolarHBondContact O-N 2.85Å; E52-Y55 CarbonylContact O-C 3.53Å; E52-Y55 PolarHBondContact O-N 3.47Å; E52-Y55 VanDerWaalsContact O-N 3.12Å; E52-G56 PolarHBondContact O-N 3.38Å; E52-L64 HydrophobicContact CB-CD2 4.37Å; E52-L64 VanDerWaalsContact O-CD2 3.23Å; E52-L64 WeakPolarHBondContact O-CD2 3.32Å; E52-S68 WeakPolarHBondContact CB-OG 3.35Å; E52-M71 HydrophobicContact CG-CE 4.2Å; E52-M71 WeakPolarHBondContact OE2-CE 3.45Å; E52-V144 HydrophobicContact CG-CG1 3.84Å; E52-V144 WeakPolarHBondContact OE1-CG1 3.31Å |
| 53 | L | 88.4 | Confident | 84.2 | Confident | 40 Ų | 40 | 63.5 Ų | 63.5 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 179.9 | -179.5 | 62 | 0 | 0 | 0 | 110.6 | A49 F50 G56 I57 I65 S68 F69 | A49-L53 VanDerWaalsContact O-CB 3.28Å; A49-L53 WeakPolarHBondContact O-CB 3.36Å; A49-L53 PolarHBondContact O-N 3Å; F50-L53 PolarHBondContact O-N 2.86Å; L53-G56 PolarHBondContact O-N 2.93Å; L53-I57 HydrophobicContact CD1-CD1 4.13Å; L53-I57 HydrophobicContact CD1-CG1 4.49Å; L53-I57 HydrophobicContact CG-CD1 4.06Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.47Å; L53-I57 PolarHBondContact O-N 3.04Å; L53-I65 HydrophobicContact CD1-CG2 4.34Å; L53-S68 VanDerWaalsContact CA-OG 3.27Å; L53-S68 WeakPolarHBondContact CA-OG 3.47Å; L53-S68 PolarHBondContact N-OG 3.36Å; L53-F69 HydrophobicContact CD1-CE2 4.15Å; L53-F69 HydrophobicContact CD1-CZ 4.32Å |
| 54 | T | 88.1 | Confident | 83.7 | Confident | 93 Ų | 93 | 61.5 Ų | 61.5 | 57% | 0.571 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.1 | -41.2 | 178.9 | -35.7 | 0 | 0 | 0 | 0 | 110.9 | F50 V51 E52 W58 | F50-T54 WeakPolarHBondContact O-CB 3.44Å; F50-T54 PolarHBondContact O-N 2.99Å; F50-T54 PolarHBondContact O-OG1 2.87Å; V51-T54 PolarHBondContact O-N 2.98Å; E52-T54 VanDerWaalsContact C-N 3.27Å; E52-T54 PolarHBondContact O-N 2.85Å; T54-W58 VanDerWaalsContact O-CB 3.27Å; T54-W58 WeakPolarHBondContact O-CB 3.49Å; T54-W58 PolarHBondContact O-N 2.87Å |
| 55 | Y | 86.4 | Confident | 83.4 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.5 | -35.8 | 176.7 | -175.1 | -106 | 0 | 0 | 0 | 112.4 | V51 E52 W58 S59 L64 R140 V144 | V51-Y55 WeakPolarHBondContact O-CB 3.41Å; V51-Y55 PolarHBondContact O-N 3.46Å; E52-Y55 CarbonylContact O-C 3.53Å; E52-Y55 PolarHBondContact O-N 3.47Å; E52-Y55 VanDerWaalsContact O-N 3.12Å; Y55-W58 AromaticContact CD2-CE3 3.88Å; Y55-W58 HydrophobicContact CD2-CE3 3.88Å; Y55-W58 HydrophobicContact CD2-CZ3 4.21Å; Y55-W58 AromaticContact CE2-CE3 3.97Å; Y55-W58 HydrophobicContact CE2-CE3 3.97Å; Y55-W58 AromaticContact CE2-CZ3 3.91Å; Y55-W58 HydrophobicContact CE2-CZ3 3.91Å; Y55-W58 PolarHBondContact O-N 3.37Å; Y55-S59 WeakPolarHBondContact O-CB 3.46Å; Y55-S59 PolarHBondContact O-N 2.81Å; Y55-S59 PolarHBondContact O-OG 3.38Å; Y55-L64 HydrophobicContact CD1-CD1 4.24Å; Y55-L64 HydrophobicContact CD1-CD2 3.65Å; Y55-L64 HydrophobicContact CE1-CD1 4.37Å; Y55-L64 HydrophobicContact CG-CD2 4.46Å; Y55-R140 HydrophobicContact CE1-CB 4.36Å; Y55-V144 HydrophobicContact CD1-CG2 3.72Å; Y55-V144 HydrophobicContact CE1-CG2 3.59Å |
| 56 | G | 83.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.3 | -45.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | E52 L53 S59 N60 S61 L64 | E52-G56 PolarHBondContact O-N 3.38Å; L53-G56 PolarHBondContact O-N 2.93Å; G56-S59 PolarHBondContact O-N 3.26Å; G56-S59 PolarHBondContact O-OG 3.49Å; G56-N60 WeakPolarHBondContact O-CA 3.46Å; G56-N60 PolarHBondContact O-N 3.44Å; G56-S61 PolarHBondContact O-N 3.09Å; G56-L64 VanDerWaalsContact CA-CD2 3.42Å |
| 57 | I | 85.6 | Confident | 82.6 | Confident | 108 Ų | 108 | 60.7 Ų | 60.7 | 55% | 0.554 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.3 | -45.8 | 172.8 | -66.2 | 166 | 0 | 0 | 0 | 110.4 | L53 S59 N60 I65 | L53-I57 HydrophobicContact CD1-CD1 4.13Å; L53-I57 HydrophobicContact CD1-CG1 4.49Å; L53-I57 HydrophobicContact CG-CD1 4.06Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.47Å; L53-I57 PolarHBondContact O-N 3.04Å; I57-S59 PolarHBondContact O-N 3.22Å; I57-N60 PolarHBondContact O-N 2.88Å; I57-I65 HydrophobicContact CG1-CD1 4.35Å; I57-I65 HydrophobicContact CG1-CG1 4.36Å |
| 58 | W | 85.6 | Confident | 82.3 | Confident | 209 Ų | 209 | 57.3 Ų | 57.3 | 79% | 0.792 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.9 | -37.7 | -179.6 | -178.7 | 56.9 | 0 | 0 | 0 | 113.1 | T54 Y55 N60 | T54-W58 VanDerWaalsContact O-CB 3.27Å; T54-W58 WeakPolarHBondContact O-CB 3.49Å; T54-W58 PolarHBondContact O-N 2.87Å; Y55-W58 AromaticContact CD2-CE3 3.88Å; Y55-W58 HydrophobicContact CD2-CE3 3.88Å; Y55-W58 HydrophobicContact CD2-CZ3 4.21Å; Y55-W58 AromaticContact CE2-CE3 3.97Å; Y55-W58 HydrophobicContact CE2-CE3 3.97Å; Y55-W58 AromaticContact CE2-CZ3 3.91Å; Y55-W58 HydrophobicContact CE2-CZ3 3.91Å; Y55-W58 PolarHBondContact O-N 3.37Å; W58-N60 VanDerWaalsContact C-N 3.28Å |
| 59 | S | 80.1 | Confident | 82.1 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -83.9 | -2.2 | 177.4 | 64.5 | 0 | 0 | 0 | 0 | 113.8 | Y55 G56 I57 S61 R140 | Y55-S59 WeakPolarHBondContact O-CB 3.46Å; Y55-S59 PolarHBondContact O-N 2.81Å; Y55-S59 PolarHBondContact O-OG 3.38Å; G56-S59 PolarHBondContact O-N 3.26Å; G56-S59 PolarHBondContact O-OG 3.49Å; I57-S59 PolarHBondContact O-N 3.22Å; S59-S61 PolarHBondContact O-N 2.92Å; S59-R140 PolarHBondContact O-NH1 3.43Å |
| 60 | N | 78.6 | Confident | 81.7 | Confident | 144 Ų | 144 | 61.8 Ų | 61.8 | 77% | 0.77 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36.6 | -175.9 | -150.3 | 28.1 | 0 | 0 | 0 | 112.9 | G56 I57 W58 | G56-N60 WeakPolarHBondContact O-CA 3.46Å; G56-N60 PolarHBondContact O-N 3.44Å; I57-N60 PolarHBondContact O-N 2.88Å; W58-N60 VanDerWaalsContact C-N 3.28Å |
| 61 | S | 75.4 | Confident | 81.5 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | trans | -100.2 | 106.4 | -176.6 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | G56 S59 G63 L64 I65 | G56-S61 PolarHBondContact O-N 3.09Å; S59-S61 PolarHBondContact O-N 2.92Å; S61-G63 PolarHBondContact O-N 3.29Å; S61-L64 PolarHBondContact O-N 3.44Å; S61-I65 WeakPolarHBondContact O-CD1 3.23Å; S61-I65 VanDerWaalsContact O-CG1 3.27Å; S61-I65 WeakPolarHBondContact O-CG1 3.37Å; S61-I65 PolarHBondContact O-N 3.11Å | ||
| 62 | L | 70.9 | Confident | 81.3 | Confident | 140 Ų | 140 | 57 Ų | 57 | 73% | 0.733 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -57.3 | -39.4 | 176.1 | -70.8 | 171 | 0 | 0 | 0 | 111.8 | L64 I65 S66 | L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 3.13Å; L62-I65 PolarHBondContact O-N 2.96Å; L62-S66 WeakPolarHBondContact O-CB 3.41Å; L62-S66 PolarHBondContact O-N 3.08Å |
| 63 | G | 72.2 | Confident | 81.1 | Confident | 18 Ų | 18 | 60 Ų | 60 | 19% | 0.186 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.8 | -36.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S61 S66 D67 R129 | S61-G63 PolarHBondContact O-N 3.29Å; G63-S66 WeakPolarHBondContact O-CB 3.41Å; G63-D67 PolarHBondContact O-N 2.98Å; G63-D67 VanDerWaalsContact O-N 3.07Å; G63-R129 PolarHBondContact O-NH2 2.96Å |
| 64 | L | 74.9 | Confident | 80.7 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76.4 | -32.8 | 177.4 | -150.4 | 122.6 | 0 | 0 | 0 | 112.2 | E52 Y55 G56 S61 L62 D67 S68 L141 V144 | E52-L64 HydrophobicContact CB-CD2 4.37Å; E52-L64 VanDerWaalsContact O-CD2 3.23Å; E52-L64 WeakPolarHBondContact O-CD2 3.32Å; Y55-L64 HydrophobicContact CD1-CD1 4.24Å; Y55-L64 HydrophobicContact CD1-CD2 3.65Å; Y55-L64 HydrophobicContact CE1-CD1 4.37Å; Y55-L64 HydrophobicContact CG-CD2 4.46Å; G56-L64 VanDerWaalsContact CA-CD2 3.42Å; S61-L64 PolarHBondContact O-N 3.44Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 3.13Å; L64-D67 WeakPolarHBondContact O-CB 3.42Å; L64-D67 PolarHBondContact O-N 3.04Å; L64-S68 PolarHBondContact O-N 3.06Å; L64-S68 PolarHBondContact O-OG 3.02Å; L64-L141 HydrophobicContact CD1-CD2 4.32Å; L64-V144 HydrophobicContact CD1-CB 4.21Å; L64-V144 HydrophobicContact CD1-CG1 4.11Å; L64-V144 HydrophobicContact CD1-CG2 4Å |
| 65 | I | 80.7 | Confident | 80.4 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 17% | 0.174 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 172.4 | -67.7 | 164.4 | 0 | 0 | 0 | 110.3 | L53 I57 S61 L62 D67 S68 F69 | L53-I65 HydrophobicContact CD1-CG2 4.34Å; I57-I65 HydrophobicContact CG1-CD1 4.35Å; I57-I65 HydrophobicContact CG1-CG1 4.36Å; S61-I65 WeakPolarHBondContact O-CD1 3.23Å; S61-I65 VanDerWaalsContact O-CG1 3.27Å; S61-I65 WeakPolarHBondContact O-CG1 3.37Å; S61-I65 PolarHBondContact O-N 3.11Å; L62-I65 PolarHBondContact O-N 2.96Å; I65-D67 VanDerWaalsContact C-N 3.29Å; I65-D67 PolarHBondContact O-N 3.3Å; I65-S68 PolarHBondContact O-N 3.4Å; I65-F69 HydrophobicContact CG2-CD2 3.72Å; I65-F69 HydrophobicContact CG2-CE2 3.55Å; I65-F69 VanDerWaalsContact O-CD2 3.24Å; I65-F69 WeakPolarHBondContact O-CD2 3.33Å; I65-F69 PolarHBondContact O-N 3.43Å; I65-F69 VanDerWaalsContact O-N 3.08Å |
| 66 | S | 76.8 | Confident | 80.3 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 174.4 | -168.1 | 0 | 0 | 0 | 0 | 110.9 | L62 G63 F69 H70 F121 E125 | L62-S66 WeakPolarHBondContact O-CB 3.41Å; L62-S66 PolarHBondContact O-N 3.08Å; G63-S66 WeakPolarHBondContact O-CB 3.41Å; S66-F69 PolarHBondContact O-N 3.44Å; S66-H70 PolarHBondContact O-N 3.19Å; S66-F121 WeakPolarHBondContact OG-CE1 3.14Å; S66-E125 WeakPolarHBondContact CB-OE2 3.15Å; S66-E125 PolarHBondContact OG-OE2 3.33Å |
| 67 | D | 78.4 | Confident | 80.1 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 34% | 0.337 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 174.7 | -147.2 | 48.6 | 0 | 0 | 0 | 112.2 | G63 L64 I65 F69 H70 M71 | G63-D67 PolarHBondContact O-N 2.98Å; G63-D67 VanDerWaalsContact O-N 3.07Å; L64-D67 WeakPolarHBondContact O-CB 3.42Å; L64-D67 PolarHBondContact O-N 3.04Å; I65-D67 VanDerWaalsContact C-N 3.29Å; I65-D67 PolarHBondContact O-N 3.3Å; D67-F69 PolarHBondContact O-N 2.88Å; D67-H70 VanDerWaalsContact C-ND1 3.31Å; D67-H70 VanDerWaalsContact CA-ND1 3.26Å; D67-H70 WeakPolarHBondContact CA-ND1 3.36Å; D67-H70 PolarHBondContact O-CE1 3.45Å; D67-H70 PolarHBondContact O-N 3.11Å; D67-H70 PolarHBondContact O-ND1 2.86Å; D67-H70 IonicContact OD1-CE1 3.69Å; D67-H70 PolarHBondContact OD1-CE1 3.4Å; D67-H70 IonicContact OD1-ND1 3.07Å; D67-H70 PolarHBondContact OD1-ND1 2.72Å; D67-M71 PolarHBondContact O-N 3.39Å |
| 68 | S | 83.1 | Confident | 79.8 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.9 | -35.2 | -179.7 | -48.4 | 0 | 0 | 0 | 0 | 113.5 | E52 L53 L64 I65 F72 | E52-S68 WeakPolarHBondContact CB-OG 3.35Å; L53-S68 VanDerWaalsContact CA-OG 3.27Å; L53-S68 WeakPolarHBondContact CA-OG 3.47Å; L53-S68 PolarHBondContact N-OG 3.36Å; L64-S68 PolarHBondContact O-N 3.06Å; L64-S68 PolarHBondContact O-OG 3.02Å; I65-S68 PolarHBondContact O-N 3.4Å; S68-F72 WeakPolarHBondContact O-CB 3.47Å; S68-F72 PolarHBondContact O-N 3.01Å |
| 69 | F | 82.5 | Confident | 79.6 | Confident | 95 Ų | 95 | 43.7 Ų | 43.7 | 42% | 0.417 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.1 | -37.6 | 178.7 | -85.4 | -63.4 | 0 | 0 | 0 | 112.7 | L53 I65 S66 D67 F72 F73 | L53-F69 HydrophobicContact CD1-CE2 4.15Å; L53-F69 HydrophobicContact CD1-CZ 4.32Å; I65-F69 HydrophobicContact CG2-CD2 3.72Å; I65-F69 HydrophobicContact CG2-CE2 3.55Å; I65-F69 VanDerWaalsContact O-CD2 3.24Å; I65-F69 WeakPolarHBondContact O-CD2 3.33Å; I65-F69 PolarHBondContact O-N 3.43Å; I65-F69 VanDerWaalsContact O-N 3.08Å; S66-F69 PolarHBondContact O-N 3.44Å; D67-F69 PolarHBondContact O-N 2.88Å; F69-F72 WeakPolarHBondContact O-CB 3.45Å; F69-F72 PolarHBondContact O-N 2.89Å; F69-F73 WeakPolarHBondContact O-CD2 3.44Å; F69-F73 PolarHBondContact O-N 2.97Å |
| 70 | H | 79.7 | Confident | 79.7 | Confident | 24 Ų | 24 | 45 Ų | 45 | 11% | 0.111 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -47.8 | 177.7 | 88.9 | -97.1 | 0 | 0 | 0 | 111 | S66 D67 F72 F73 D74 T118 I122 | S66-H70 PolarHBondContact O-N 3.19Å; D67-H70 VanDerWaalsContact C-ND1 3.31Å; D67-H70 VanDerWaalsContact CA-ND1 3.26Å; D67-H70 WeakPolarHBondContact CA-ND1 3.36Å; D67-H70 PolarHBondContact O-CE1 3.45Å; D67-H70 PolarHBondContact O-N 3.11Å; D67-H70 PolarHBondContact O-ND1 2.86Å; D67-H70 IonicContact OD1-CE1 3.69Å; D67-H70 PolarHBondContact OD1-CE1 3.4Å; D67-H70 IonicContact OD1-ND1 3.07Å; D67-H70 PolarHBondContact OD1-ND1 2.72Å; H70-F72 PolarHBondContact O-N 3.42Å; H70-F73 PolarHBondContact O-N 3.34Å; H70-D74 IonicContact CD2-OD2 3.83Å; H70-D74 PolarHBondContact O-N 3.41Å; H70-T118 HydrophobicContact CB-CG2 3.73Å; H70-I122 HydrophobicContact CB-CD1 4.29Å; H70-I122 HydrophobicContact CB-CG1 4.47Å |
| 71 | M | 83.5 | Confident | 79.8 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 12% | 0.118 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -32.9 | 176.5 | -70 | -160.2 | -56.2 | 0 | 0 | 112.5 | F48 A49 E52 D67 D74 C75 | F48-M71 HydrophobicContact CD1-CE 3.69Å; F48-M71 HydrophobicContact CD1-SD 4.06Å; F48-M71 HydrophobicContact CE1-CE 3.82Å; F48-M71 HydrophobicContact CE1-SD 4.13Å; A49-M71 HydrophobicContact CB-CB 4.07Å; A49-M71 HydrophobicContact CB-CE 4.08Å; E52-M71 HydrophobicContact CG-CE 4.2Å; E52-M71 WeakPolarHBondContact OE2-CE 3.45Å; D67-M71 PolarHBondContact O-N 3.39Å; M71-D74 PolarHBondContact O-N 3.27Å; M71-C75 WeakPolarHBondContact O-CB 3.41Å; M71-C75 PolarHBondContact O-N 2.94Å; M71-C75 PolarHBondContact O-SG 3.04Å |
| 72 | F | 85.3 | Confident | 79.9 | Confident | 76 Ų | 76 | 37.9 Ų | 37.9 | 33% | 0.333 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.9 | -43.4 | 174.3 | 178 | -92.5 | 0 | 0 | 0 | 112.3 | L46 F50 S68 F69 H70 D74 C75 T76 | L46-F72 HydrophobicContact CD1-CD2 3.89Å; L46-F72 HydrophobicContact CD1-CE2 4.06Å; F50-F72 HydrophobicContact CZ-CE2 4.47Å; S68-F72 WeakPolarHBondContact O-CB 3.47Å; S68-F72 PolarHBondContact O-N 3.01Å; F69-F72 WeakPolarHBondContact O-CB 3.45Å; F69-F72 PolarHBondContact O-N 2.89Å; H70-F72 PolarHBondContact O-N 3.42Å; F72-D74 VanDerWaalsContact C-N 3.33Å; F72-C75 PolarHBondContact O-N 3.07Å; F72-T76 PolarHBondContact O-N 3.19Å; F72-T76 PolarHBondContact O-OG1 3.29Å |
| 73 | F | 83.2 | Confident | 80.4 | Confident | 68 Ų | 68 | 32.9 Ų | 32.9 | 30% | 0.298 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 175.6 | -75.8 | -55.9 | 0 | 0 | 0 | 111.8 | F69 H70 T76 A77 | F69-F73 WeakPolarHBondContact O-CD2 3.44Å; F69-F73 PolarHBondContact O-N 2.97Å; H70-F73 PolarHBondContact O-N 3.34Å; F73-T76 WeakPolarHBondContact O-CB 3.05Å; F73-T76 PolarHBondContact O-N 3.48Å; F73-A77 PolarHBondContact O-N 3.22Å |
| 74 | D | 79.8 | Confident | 80.8 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 175.5 | -65.3 | -23.1 | 0 | 0 | 0 | 111.4 | H70 M71 F72 T76 A77 L78 H266 | H70-D74 IonicContact CD2-OD2 3.83Å; H70-D74 PolarHBondContact O-N 3.41Å; M71-D74 PolarHBondContact O-N 3.27Å; F72-D74 VanDerWaalsContact C-N 3.33Å; D74-T76 VanDerWaalsContact C-N 3.32Å; D74-T76 PolarHBondContact O-N 2.95Å; D74-A77 PolarHBondContact O-N 3.4Å; D74-L78 WeakPolarHBondContact O-CG 3.05Å; D74-L78 PolarHBondContact O-N 2.86Å; D74-H266 IonicContact OD2-CE1 3.25Å; D74-H266 PolarHBondContact OD2-CE1 2.94Å |
| 75 | C | 82.9 | Confident | 80.9 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 172.5 | -70.7 | 0 | 0 | 0 | 0 | 112.3 | L42 L46 M71 F72 A77 L78 L79 | L42-C75 HydrophobicContact CD1-CB 4.02Å; L42-C75 VanDerWaalsContact CD1-O 3.23Å; L42-C75 WeakPolarHBondContact CD1-O 3.35Å; L46-C75 HydrophobicContact CB-CB 4.44Å; L46-C75 HydrophobicContact CD1-CB 4.01Å; M71-C75 WeakPolarHBondContact O-CB 3.41Å; M71-C75 PolarHBondContact O-N 2.94Å; M71-C75 PolarHBondContact O-SG 3.04Å; F72-C75 PolarHBondContact O-N 3.07Å; C75-A77 VanDerWaalsContact C-N 3.27Å; C75-A77 PolarHBondContact O-N 3.4Å; C75-L78 PolarHBondContact O-N 3.46Å; C75-L79 WeakPolarHBondContact O-CB 3.31Å; C75-L79 PolarHBondContact O-N 3.47Å |
| 76 | T | 82.8 | Confident | 80.7 | Confident | 53 Ų | 53 | 31.8 Ų | 31.8 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 178 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | F72 F73 D74 L79 A80 | F72-T76 PolarHBondContact O-N 3.19Å; F72-T76 PolarHBondContact O-OG1 3.29Å; F73-T76 WeakPolarHBondContact O-CB 3.05Å; F73-T76 PolarHBondContact O-N 3.48Å; D74-T76 VanDerWaalsContact C-N 3.32Å; D74-T76 PolarHBondContact O-N 2.95Å; T76-L79 WeakPolarHBondContact O-CB 3.39Å; T76-L79 PolarHBondContact O-N 3.4Å; T76-A80 PolarHBondContact O-N 3.02Å |
| 77 | A | 80.1 | Confident | 80.9 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.5 | -38 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F73 D74 C75 A80 G81 N111 F114 | F73-A77 PolarHBondContact O-N 3.22Å; D74-A77 PolarHBondContact O-N 3.4Å; C75-A77 VanDerWaalsContact C-N 3.27Å; C75-A77 PolarHBondContact O-N 3.4Å; A77-A80 PolarHBondContact O-N 3.01Å; A77-G81 PolarHBondContact O-N 3.31Å; A77-N111 HydrophobicContact CB-CB 4.2Å; A77-N111 WeakPolarHBondContact CB-OD1 3.24Å; A77-F114 HydrophobicContact CB-CB 4.47Å |
| 78 | L | 78.4 | Confident | 80.9 | Confident | 14 Ų | 14 | 30.8 Ų | 30.8 | 7% | 0.073 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -41.2 | 168.9 | -70.1 | -175.5 | 0 | 0 | 0 | 112.4 | F41 L42 D74 C75 G81 L82 V263 | F41-L78 HydrophobicContact CE1-CD1 4.34Å; L42-L78 HydrophobicContact CD1-CB 3.84Å; D74-L78 WeakPolarHBondContact O-CG 3.05Å; D74-L78 PolarHBondContact O-N 2.86Å; C75-L78 PolarHBondContact O-N 3.46Å; L78-G81 PolarHBondContact O-N 2.9Å; L78-L82 PolarHBondContact O-N 3.23Å; L78-V263 HydrophobicContact CD1-CG1 4.43Å; L78-V263 HydrophobicContact CD2-CB 4.17Å; L78-V263 HydrophobicContact CD2-CG1 4.21Å; L78-V263 HydrophobicContact CD2-CG2 3.43Å; L78-V263 VanDerWaalsContact CD2-CG2 3.43Å |
| 79 | L | 82.8 | Confident | 80.6 | Confident | 93 Ų | 93 | 37 Ų | 37 | 49% | 0.487 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 174.9 | 177.9 | 63.2 | 0 | 0 | 0 | 111.5 | L42 C75 T76 G81 L82 A83 | L42-L79 HydrophobicContact CD1-CB 4.49Å; L42-L79 HydrophobicContact CD2-CB 4.01Å; L42-L79 HydrophobicContact CD2-CD1 3.87Å; C75-L79 WeakPolarHBondContact O-CB 3.31Å; C75-L79 PolarHBondContact O-N 3.47Å; T76-L79 WeakPolarHBondContact O-CB 3.39Å; T76-L79 PolarHBondContact O-N 3.4Å; L79-G81 VanDerWaalsContact C-N 3.33Å; L79-G81 PolarHBondContact O-N 3.1Å; L79-L82 PolarHBondContact O-N 3.22Å; L79-A83 WeakPolarHBondContact O-CB 3.35Å; L79-A83 PolarHBondContact O-N 2.99Å |
| 80 | A | 82.8 | Confident | 80.5 | Confident | 44 Ų | 44 | 37.2 Ų | 37.2 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T76 A77 A83 A84 | T76-A80 PolarHBondContact O-N 3.02Å; A77-A80 PolarHBondContact O-N 3.01Å; A80-A83 PolarHBondContact O-N 3.49Å; A80-A84 WeakPolarHBondContact O-CB 3.34Å; A80-A84 PolarHBondContact O-N 2.9Å |
| 81 | G | 79.8 | Confident | 80.5 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | A77 L78 L79 A84 S85 | A77-G81 PolarHBondContact O-N 3.31Å; L78-G81 PolarHBondContact O-N 2.9Å; L79-G81 VanDerWaalsContact C-N 3.33Å; L79-G81 PolarHBondContact O-N 3.1Å; G81-A84 PolarHBondContact O-N 2.95Å; G81-S85 PolarHBondContact O-N 2.62Å |
| 82 | L | 77.8 | Confident | 80.5 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 175.2 | -179.6 | 62.6 | 0 | 0 | 0 | 112.1 | I29 L38 F39 L78 L79 A84 S85 V86 | I29-L82 HydrophobicContact CD1-CD1 4.39Å; I29-L82 HydrophobicContact CD1-CD2 4.08Å; I29-L82 HydrophobicContact CD1-CG 4.09Å; I29-L82 HydrophobicContact CG1-CD1 4.19Å; I29-L82 HydrophobicContact CG1-CG 4.44Å; I29-L82 HydrophobicContact CG2-CD1 4.2Å; I29-L82 HydrophobicContact CG2-CD2 4.2Å; L38-L82 HydrophobicContact CD2-CB 4.13Å; L38-L82 HydrophobicContact CD2-CD1 4.19Å; L38-L82 HydrophobicContact CD2-CD2 4.28Å; L38-L82 HydrophobicContact CD2-CG 4.43Å; F39-L82 HydrophobicContact CB-CD2 4.28Å; F39-L82 HydrophobicContact CD2-CD2 3.96Å; L78-L82 PolarHBondContact O-N 3.23Å; L79-L82 PolarHBondContact O-N 3.22Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 3.03Å; L82-S85 PolarHBondContact O-N 3.28Å; L82-S85 PolarHBondContact O-OG 2.69Å; L82-V86 PolarHBondContact O-N 2.9Å |
| 83 | A | 80.9 | Confident | 80.6 | Confident | 36 Ų | 36 | 48.2 Ų | 48.2 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L79 A80 S85 V86 I87 | L79-A83 WeakPolarHBondContact O-CB 3.35Å; L79-A83 PolarHBondContact O-N 2.99Å; A80-A83 PolarHBondContact O-N 3.49Å; A83-S85 PolarHBondContact O-N 3.27Å; A83-V86 PolarHBondContact O-N 3.45Å; A83-I87 VanDerWaalsContact O-CG1 3.27Å; A83-I87 WeakPolarHBondContact O-CG1 3.45Å; A83-I87 PolarHBondContact O-N 3.39Å |
| 84 | A | 81.9 | Confident | 80.6 | Confident | 6 Ų | 6 | 52 Ų | 52 | 5% | 0.05 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -37.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A80 G81 L82 V86 I87 S88 A107 | A80-A84 WeakPolarHBondContact O-CB 3.34Å; A80-A84 PolarHBondContact O-N 2.9Å; G81-A84 PolarHBondContact O-N 2.95Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 3.03Å; A84-V86 VanDerWaalsContact C-N 3.25Å; A84-V86 PolarHBondContact O-N 2.95Å; A84-I87 PolarHBondContact O-N 3.4Å; A84-S88 WeakPolarHBondContact O-CB 3.26Å; A84-S88 PolarHBondContact O-N 3.22Å; A84-A107 HydrophobicContact CB-CB 3.33Å |
| 85 | S | 75.4 | Confident | 80.7 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.6 | -23.6 | 175.7 | 75.7 | 0 | 0 | 0 | 0 | 113.5 | G81 L82 A83 S88 E104 | G81-S85 PolarHBondContact O-N 2.62Å; L82-S85 PolarHBondContact O-N 3.28Å; L82-S85 PolarHBondContact O-OG 2.69Å; A83-S85 PolarHBondContact O-N 3.27Å; S85-S88 PolarHBondContact O-OG 3.44Å; S85-E104 WeakPolarHBondContact CA-OE1 3.26Å |
| 86 | V | 77 | Confident | 80.9 | Confident | 14 Ų | 14 | 61.2 Ų | 61.2 | 9% | 0.085 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -78.8 | -41.8 | 169.9 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | W25 I29 L82 A83 A84 R89 W90 | W25-V86 HydrophobicContact CB-CG1 4.24Å; W25-V86 HydrophobicContact CD2-CG1 4.34Å; W25-V86 HydrophobicContact CG-CG1 3.94Å; I29-V86 HydrophobicContact CD1-CG2 4.01Å; I29-V86 HydrophobicContact CG1-CG2 3.68Å; L82-V86 PolarHBondContact O-N 2.9Å; A83-V86 PolarHBondContact O-N 3.45Å; A84-V86 VanDerWaalsContact C-N 3.25Å; A84-V86 PolarHBondContact O-N 2.95Å; V86-R89 PolarHBondContact O-N 3.45Å; V86-W90 PolarHBondContact O-NE1 2.88Å |
| 87 | I | 80.7 | Confident | 81 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 23% | 0.226 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 179.9 | -68.8 | 164 | 0 | 0 | 0 | 111.3 | A83 A84 R89 W90 Y100 A103 | A83-I87 VanDerWaalsContact O-CG1 3.27Å; A83-I87 WeakPolarHBondContact O-CG1 3.45Å; A83-I87 PolarHBondContact O-N 3.39Å; A84-I87 PolarHBondContact O-N 3.4Å; I87-R89 PolarHBondContact O-N 3.16Å; I87-R89 VanDerWaalsContact O-N 3.1Å; I87-W90 HydrophobicContact CB-CZ2 4.49Å; I87-W90 HydrophobicContact CG1-CH2 3.87Å; I87-W90 HydrophobicContact CG1-CZ2 3.75Å; I87-W90 HydrophobicContact CG1-CZ3 4.42Å; I87-W90 HydrophobicContact CG2-CE3 4.27Å; I87-W90 HydrophobicContact CG2-CZ3 4.35Å; I87-W90 WeakPolarHBondContact O-CB 3.23Å; I87-W90 PolarHBondContact O-N 2.88Å; I87-Y100 HydrophobicContact CG2-CD1 4.01Å; I87-Y100 HydrophobicContact CG2-CG 4.24Å; I87-Y100 VanDerWaalsContact O-CB 3.24Å; I87-Y100 WeakPolarHBondContact O-CB 3.44Å; I87-A103 HydrophobicContact CB-CB 4.38Å; I87-A103 HydrophobicContact CG2-CB 3.85Å |
| 88 | S | 79 | Confident | 81 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 8% | 0.077 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.7 | 179.9 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | A84 S85 W90 E104 | A84-S88 WeakPolarHBondContact O-CB 3.26Å; A84-S88 PolarHBondContact O-N 3.22Å; S85-S88 PolarHBondContact O-OG 3.44Å; S88-W90 VanDerWaalsContact C-N 3.32Å; S88-E104 VanDerWaalsContact CB-CD 3.45Å; S88-E104 VanDerWaalsContact CB-OE1 3.29Å; S88-E104 WeakPolarHBondContact CB-OE1 3.47Å; S88-E104 VanDerWaalsContact OG-CD 3.27Å; S88-E104 PolarHBondContact OG-OE1 3.37Å |
| 89 | R | 77.3 | Confident | 81.4 | Confident | 132 Ų | 132 | 68 Ų | 68 | 50% | 0.498 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.6 | 179.4 | -61.3 | 178.3 | -177.5 | -150.8 | -0.8 | 113.7 | V86 I87 | V86-R89 PolarHBondContact O-N 3.45Å; I87-R89 PolarHBondContact O-N 3.16Å; I87-R89 VanDerWaalsContact O-N 3.1Å |
| 90 | W | 80.6 | Confident | 81.5 | Confident | 100 Ų | 100 | 65.9 Ų | 65.9 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -70.7 | 145.9 | 178.2 | -66.5 | 1.9 | 0 | 0 | 0 | 111.4 | W25 V86 I87 S88 Y100 | W25-W90 AromaticContact CE2-CZ2 3.63Å; W25-W90 HydrophobicContact CH2-CH2 4.13Å; W25-W90 HydrophobicContact CH2-CZ2 4.01Å; W25-W90 AromaticContact CZ2-CH2 3.6Å; W25-W90 HydrophobicContact CZ2-CH2 3.6Å; W25-W90 AromaticContact CZ2-CZ2 3.2Å; W25-W90 HydrophobicContact CZ2-CZ2 3.2Å; W25-W90 AromaticContact NE1-CZ2 3.77Å; V86-W90 PolarHBondContact O-NE1 2.88Å; I87-W90 HydrophobicContact CB-CZ2 4.49Å; I87-W90 HydrophobicContact CG1-CH2 3.87Å; I87-W90 HydrophobicContact CG1-CZ2 3.75Å; I87-W90 HydrophobicContact CG1-CZ3 4.42Å; I87-W90 HydrophobicContact CG2-CE3 4.27Å; I87-W90 HydrophobicContact CG2-CZ3 4.35Å; I87-W90 WeakPolarHBondContact O-CB 3.23Å; I87-W90 PolarHBondContact O-N 2.88Å; S88-W90 VanDerWaalsContact C-N 3.32Å; W90-Y100 HydrophobicContact CB-CD2 3.78Å; W90-Y100 HydrophobicContact CB-CE2 4.33Å; W90-Y100 HydrophobicContact CB-CG 4.38Å; W90-Y100 HydrophobicContact CE3-CD2 4.43Å; W90-Y100 HydrophobicContact CE3-CE2 4.34Å |
| 91 | R | 79.2 | Confident | 81.5 | Confident | 225 Ų | 225 | 64.9 Ų | 64.9 | 85% | 0.849 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 148.9 | 177.2 | -165.6 | 179.2 | 179.4 | 111.4 | 0.5 | 110.4 | ||
| 92 | S | 83.2 | Confident | 81.8 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 46% | 0.462 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 152 | 170.7 | 52 | 0 | 0 | 0 | 0 | 112 | F96 | S92-F96 WeakPolarHBondContact CB-O 3.45Š|
| 93 | N | 87 | Confident | 82.2 | Confident | 63 Ų | 63 | 69.3 Ų | 69.3 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -137.2 | 176 | 174.3 | 62.9 | 35.8 | 0 | 0 | 0 | 109.6 | S95 F96 S97 Y100 | N93-S95 PolarHBondContact O-N 2.92Å; N93-S95 WeakPolarHBondContact OD1-CB 3.21Å; N93-S95 PolarHBondContact OD1-N 2.84Å; N93-S95 VanDerWaalsContact OD1-N 3.08Å; N93-F96 PolarHBondContact N-O 3.43Å; N93-F96 CarbonylContact O-C 3.56Å; N93-F96 PolarHBondContact O-N 2.96Å; N93-F96 WeakPolarHBondContact OD1-CD2 3.3Å; N93-F96 PolarHBondContact OD1-N 2.89Å; N93-S97 PolarHBondContact O-N 2.8Å; N93-Y100 PolarHBondContact ND2-OH 2.91Å |
| 94 | D | 84.2 | Confident | 82.1 | Confident | 149 Ų | 149 | 67.9 Ų | 67.9 | 80% | 0.797 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.2 | -175.2 | -62.8 | -23.7 | 0 | 0 | 0 | 113.8 | ||
| 95 | S | 82.3 | Confident | 82.3 | Confident | 103 Ų | 103 | 68 Ų | 68 | 72% | 0.72 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -28.2 | 173.9 | -55.7 | 0 | 0 | 0 | 0 | 113.1 | N93 | N93-S95 PolarHBondContact O-N 2.92Å; N93-S95 WeakPolarHBondContact OD1-CB 3.21Å; N93-S95 PolarHBondContact OD1-N 2.84Å; N93-S95 VanDerWaalsContact OD1-N 3.08Å |
| 96 | F | 85.3 | Confident | 82.9 | Confident | 103 Ų | 103 | 71.9 Ų | 71.9 | 45% | 0.452 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -128.5 | 79.7 | -177.7 | -62.9 | -80.4 | 0 | 0 | 0 | 110.3 | S92 N93 Y98 G99 Y100 | S92-F96 WeakPolarHBondContact CB-O 3.45Å; N93-F96 PolarHBondContact N-O 3.43Å; N93-F96 CarbonylContact O-C 3.56Å; N93-F96 PolarHBondContact O-N 2.96Å; N93-F96 WeakPolarHBondContact OD1-CD2 3.3Å; N93-F96 PolarHBondContact OD1-N 2.89Å; F96-Y98 VanDerWaalsContact C-N 3.3Å; F96-Y98 PolarHBondContact O-N 2.95Å; F96-G99 WeakPolarHBondContact O-CA 3.48Å; F96-G99 PolarHBondContact O-N 2.82Å; F96-Y100 AromaticContact CD2-CE1 3.73Å; F96-Y100 HydrophobicContact CD2-CE1 3.73Å; F96-Y100 HydrophobicContact CD2-CE2 4.3Å; F96-Y100 AromaticContact CD2-CZ 3.51Å; F96-Y100 VanDerWaalsContact CD2-OH 3.26Å; F96-Y100 WeakPolarHBondContact CD2-OH 3.21Å; F96-Y100 AromaticContact CE2-CE1 3.83Å; F96-Y100 HydrophobicContact CE2-CE1 3.83Å; F96-Y100 AromaticContact CE2-CZ 3.95Å; F96-Y100 HydrophobicContact CG-CE1 4.18Å; F96-Y100 HydrophobicContact CZ-CE1 4.37Å |
| 97 | S | 85 | Confident | 83.2 | Confident | 99 Ų | 99 | 71.8 Ų | 71.8 | 69% | 0.692 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -35.5 | -175.5 | -41.1 | 0 | 0 | 0 | 0 | 113.4 | N93 G99 | N93-S97 PolarHBondContact O-N 2.8Å; S97-G99 VanDerWaalsContact C-N 3.29Å |
| 98 | Y | 81.5 | Confident | 83.3 | Confident | 97 Ų | 97 | 71.1 Ų | 71.1 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.3 | 174.8 | -70.6 | -69 | 0 | 0 | 0 | 113.6 | F96 V101 L355 I361 Y394 | F96-Y98 VanDerWaalsContact C-N 3.3Å; F96-Y98 PolarHBondContact O-N 2.95Å; Y98-V101 WeakPolarHBondContact O-CG2 3.28Å; Y98-L355 HydrophobicContact CD1-CD2 4.22Å; Y98-L355 HydrophobicContact CG-CD1 4.26Å; Y98-L355 HydrophobicContact CG-CD2 4.42Å; Y98-I361 HydrophobicContact CD1-CD1 3.84Å; Y98-I361 HydrophobicContact CE1-CD1 3.67Å; Y98-Y394 HydrophobicContact CE1-CE2 4.41Å |
| 99 | G | 86.4 | Confident | 83.6 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | trans | 77.5 | -164.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F96 S97 | F96-G99 WeakPolarHBondContact O-CA 3.48Å; F96-G99 PolarHBondContact O-N 2.82Å; S97-G99 VanDerWaalsContact C-N 3.29Å | ||
| 100 | Y | 85.1 | Confident | 84.1 | Confident | 49 Ų | 49 | 69.2 Ų | 69.2 | 19% | 0.192 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -99.4 | 12.1 | -171.1 | -71.7 | -86.9 | 0 | 0 | 0 | 114.2 | I87 W90 N93 F96 R102 A103 | I87-Y100 HydrophobicContact CG2-CD1 4.01Å; I87-Y100 HydrophobicContact CG2-CG 4.24Å; I87-Y100 VanDerWaalsContact O-CB 3.24Å; I87-Y100 WeakPolarHBondContact O-CB 3.44Å; W90-Y100 HydrophobicContact CB-CD2 3.78Å; W90-Y100 HydrophobicContact CB-CE2 4.33Å; W90-Y100 HydrophobicContact CB-CG 4.38Å; W90-Y100 HydrophobicContact CE3-CD2 4.43Å; W90-Y100 HydrophobicContact CE3-CE2 4.34Å; N93-Y100 PolarHBondContact ND2-OH 2.91Å; F96-Y100 AromaticContact CD2-CE1 3.73Å; F96-Y100 HydrophobicContact CD2-CE1 3.73Å; F96-Y100 HydrophobicContact CD2-CE2 4.3Å; F96-Y100 AromaticContact CD2-CZ 3.51Å; F96-Y100 VanDerWaalsContact CD2-OH 3.26Å; F96-Y100 WeakPolarHBondContact CD2-OH 3.21Å; F96-Y100 AromaticContact CE2-CE1 3.83Å; F96-Y100 HydrophobicContact CE2-CE1 3.83Å; F96-Y100 AromaticContact CE2-CZ 3.95Å; F96-Y100 HydrophobicContact CG-CE1 4.18Å; F96-Y100 HydrophobicContact CZ-CE1 4.37Å; Y100-R102 PolarHBondContact O-N 2.82Å; Y100-R102 VanDerWaalsContact O-N 3.12Å; Y100-A103 WeakPolarHBondContact O-CB 3.27Å; Y100-A103 PolarHBondContact O-N 3.28Å |
| 101 | V | 82.1 | Confident | 84.2 | Confident | 23 Ų | 23 | 66.1 Ų | 66.1 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.7 | -175.9 | -87.6 | 0 | 0 | 0 | 0 | 114.6 | Y98 A103 L355 C356 | Y98-V101 WeakPolarHBondContact O-CG2 3.28Å; V101-A103 PolarHBondContact O-N 3.11Å; V101-L355 HydrophobicContact CG2-CD2 3.61Å; V101-L355 HydrophobicContact CG2-CG 3.94Å; V101-C356 HydrophobicContact CB-CB 4.24Å |
| 102 | R | 86.6 | Confident | 84.4 | Confident | 84 Ų | 84 | 55.5 Ų | 55.5 | 32% | 0.317 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.2 | -13.5 | 174.1 | -75.8 | -177 | 176.1 | 174.6 | 5 | 114 | Y100 E104 V105 L106 L355 | Y100-R102 PolarHBondContact O-N 2.82Å; Y100-R102 VanDerWaalsContact O-N 3.12Å; R102-E104 VanDerWaalsContact C-N 3.26Å; R102-E104 PolarHBondContact O-N 3.33Å; R102-V105 PolarHBondContact O-N 3.05Å; R102-L106 PolarHBondContact O-N 2.86Å; R102-L355 HydrophobicContact CG-CD1 4.17Å; R102-L355 VanDerWaalsContact CG-O 3.26Å; R102-L355 WeakPolarHBondContact CG-O 3.47Å |
| 103 | A | 84.9 | Confident | 84.6 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.8 | -35.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I87 Y100 V101 L106 A107 | I87-A103 HydrophobicContact CB-CB 4.38Å; I87-A103 HydrophobicContact CG2-CB 3.85Å; Y100-A103 WeakPolarHBondContact O-CB 3.27Å; Y100-A103 PolarHBondContact O-N 3.28Å; V101-A103 PolarHBondContact O-N 3.11Å; A103-L106 PolarHBondContact O-N 3.16Å; A103-A107 WeakPolarHBondContact O-CB 3.46Å; A103-A107 PolarHBondContact O-N 2.85Å |
| 104 | E | 80.6 | Confident | 84.5 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 176.5 | -75.1 | 167.7 | 168.5 | 0 | 0 | 111.8 | S85 S88 R102 L106 A107 G108 S255 I259 | S85-E104 WeakPolarHBondContact CA-OE1 3.26Å; S88-E104 VanDerWaalsContact CB-CD 3.45Å; S88-E104 VanDerWaalsContact CB-OE1 3.29Å; S88-E104 WeakPolarHBondContact CB-OE1 3.47Å; S88-E104 VanDerWaalsContact OG-CD 3.27Å; S88-E104 PolarHBondContact OG-OE1 3.37Å; R102-E104 VanDerWaalsContact C-N 3.26Å; R102-E104 PolarHBondContact O-N 3.33Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 2.6Å; E104-A107 PolarHBondContact O-N 2.84Å; E104-G108 PolarHBondContact O-N 3.08Å; E104-S255 WeakPolarHBondContact OE2-CB 3.5Å; E104-S255 PolarHBondContact OE2-OG 2.89Å; E104-I259 HydrophobicContact CB-CD1 4.35Å; E104-I259 HydrophobicContact CG-CD1 4.05Å |
| 105 | V | 85.8 | Confident | 84.4 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | R102 G108 F109 I318 L319 C356 | R102-V105 PolarHBondContact O-N 3.05Å; V105-G108 PolarHBondContact O-N 2.98Å; V105-F109 WeakPolarHBondContact O-CB 3.39Å; V105-F109 PolarHBondContact O-N 2.86Å; V105-I318 HydrophobicContact CB-CG2 4.47Å; V105-I318 HydrophobicContact CG1-CB 3.89Å; V105-I318 HydrophobicContact CG1-CD1 4.25Å; V105-I318 HydrophobicContact CG1-CG2 3.88Å; V105-I318 HydrophobicContact CG2-CD1 4.31Å; V105-I318 HydrophobicContact CG2-CG2 3.97Å; V105-L319 HydrophobicContact CG1-CD2 4.21Å; V105-L319 HydrophobicContact CG1-CG 4.07Å; V105-C356 HydrophobicContact CG2-CB 4.35Å |
| 106 | L | 87.3 | Confident | 84.7 | Confident | 93 Ų | 93 | 49.2 Ų | 49.2 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.2 | -176 | 65.6 | 0 | 0 | 0 | 111.7 | R102 A103 E104 F109 V110 | R102-L106 PolarHBondContact O-N 2.86Å; A103-L106 PolarHBondContact O-N 3.16Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 2.6Å; L106-F109 PolarHBondContact O-N 2.79Å; L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 3.39Å |
| 107 | A | 84.3 | Confident | 84.8 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A84 A103 E104 F109 V110 N111 | A84-A107 HydrophobicContact CB-CB 3.33Å; A103-A107 WeakPolarHBondContact O-CB 3.46Å; A103-A107 PolarHBondContact O-N 2.85Å; E104-A107 PolarHBondContact O-N 2.84Å; A107-F109 VanDerWaalsContact C-N 3.35Å; A107-F109 PolarHBondContact O-N 2.83Å; A107-V110 PolarHBondContact O-N 2.95Å; A107-N111 VanDerWaalsContact O-CB 3.24Å; A107-N111 WeakPolarHBondContact O-CB 3.16Å; A107-N111 PolarHBondContact O-N 3.48Å |
| 108 | G | 80.9 | Confident | 84.8 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E104 V105 N111 G112 | E104-G108 PolarHBondContact O-N 3.08Å; V105-G108 PolarHBondContact O-N 2.98Å; G108-N111 PolarHBondContact O-N 2.92Å; G108-G112 PolarHBondContact O-N 3.43Å |
| 109 | F | 86.9 | Confident | 85 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 21% | 0.211 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -49.5 | 174.9 | 176.5 | -106.2 | 0 | 0 | 0 | 112.4 | V105 L106 A107 N111 G112 L113 L312 I316 L319 | V105-F109 WeakPolarHBondContact O-CB 3.39Å; V105-F109 PolarHBondContact O-N 2.86Å; L106-F109 PolarHBondContact O-N 2.79Å; A107-F109 VanDerWaalsContact C-N 3.35Å; A107-F109 PolarHBondContact O-N 2.83Å; F109-N111 VanDerWaalsContact C-N 3.33Å; F109-N111 PolarHBondContact O-N 3.5Å; F109-G112 PolarHBondContact O-N 2.85Å; F109-L113 HydrophobicContact CD1-CD1 4.26Å; F109-L113 HydrophobicContact CE1-CD1 3.64Å; F109-L113 HydrophobicContact CE1-CG 4.32Å; F109-L113 HydrophobicContact CZ-CD1 3.88Å; F109-L113 HydrophobicContact CZ-CD2 4.35Å; F109-L113 HydrophobicContact CZ-CG 4.24Å; F109-L113 PolarHBondContact O-N 3.35Å; F109-L312 HydrophobicContact CD2-CD2 3.66Å; F109-L312 HydrophobicContact CE2-CD2 3.91Å; F109-I316 HydrophobicContact CD2-CG1 3.94Å; F109-I316 HydrophobicContact CE2-CD1 4.02Å; F109-I316 HydrophobicContact CE2-CG1 3.57Å; F109-L319 HydrophobicContact CB-CD1 4.13Å; F109-L319 HydrophobicContact CD1-CD1 4.31Å; F109-L319 HydrophobicContact CD2-CD1 4.47Å; F109-L319 HydrophobicContact CG-CD1 4.04Å |
| 110 | V | 86.2 | Confident | 85.2 | Confident | 55 Ų | 55 | 47 Ų | 47 | 33% | 0.333 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 178.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | L106 A107 G112 L113 F114 | L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 3.39Å; A107-V110 PolarHBondContact O-N 2.95Å; V110-G112 PolarHBondContact O-N 3.33Å; V110-L113 WeakPolarHBondContact O-CB 3.39Å; V110-L113 PolarHBondContact O-N 3.48Å; V110-L113 VanDerWaalsContact O-N 3.16Å; V110-F114 HydrophobicContact CG1-CD2 3.82Å; V110-F114 HydrophobicContact CG1-CE2 3.57Å; V110-F114 VanDerWaalsContact O-CD2 3.29Å; V110-F114 WeakPolarHBondContact O-CD2 3.05Å; V110-F114 PolarHBondContact O-N 2.96Å |
| 111 | N | 83.4 | Confident | 85.2 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 19% | 0.187 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.1 | -46.1 | 172.8 | 177.5 | 50.1 | 0 | 0 | 0 | 111.5 | A77 A107 G108 F109 L113 F114 L115 | A77-N111 HydrophobicContact CB-CB 4.2Å; A77-N111 WeakPolarHBondContact CB-OD1 3.24Å; A107-N111 VanDerWaalsContact O-CB 3.24Å; A107-N111 WeakPolarHBondContact O-CB 3.16Å; A107-N111 PolarHBondContact O-N 3.48Å; G108-N111 PolarHBondContact O-N 2.92Å; F109-N111 VanDerWaalsContact C-N 3.33Å; F109-N111 PolarHBondContact O-N 3.5Å; N111-L113 VanDerWaalsContact C-N 3.27Å; N111-L113 PolarHBondContact O-N 3.32Å; N111-F114 PolarHBondContact O-N 3.38Å; N111-F114 VanDerWaalsContact O-N 3.13Å; N111-L115 WeakPolarHBondContact O-CG 3.48Å; N111-L115 PolarHBondContact O-N 3.2Å |
| 112 | G | 83.8 | Confident | 85.3 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.2 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G108 F109 V110 L115 I116 V308 | G108-G112 PolarHBondContact O-N 3.43Å; F109-G112 PolarHBondContact O-N 2.85Å; V110-G112 PolarHBondContact O-N 3.33Å; G112-L115 PolarHBondContact O-N 3.48Å; G112-I116 PolarHBondContact O-N 3.2Å; G112-I116 VanDerWaalsContact O-N 3.08Å; G112-V308 VanDerWaalsContact O-CG1 3.31Å; G112-V308 WeakPolarHBondContact O-CG1 3.24Å |
| 113 | L | 87.4 | Confident | 85.5 | Confident | 84 Ų | 84 | 49.1 Ų | 49.1 | 44% | 0.44 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 174.8 | -66.1 | 178.7 | 0 | 0 | 0 | 112.4 | F109 V110 N111 L115 I116 F117 L312 | F109-L113 HydrophobicContact CD1-CD1 4.26Å; F109-L113 HydrophobicContact CE1-CD1 3.64Å; F109-L113 HydrophobicContact CE1-CG 4.32Å; F109-L113 HydrophobicContact CZ-CD1 3.88Å; F109-L113 HydrophobicContact CZ-CD2 4.35Å; F109-L113 HydrophobicContact CZ-CG 4.24Å; F109-L113 PolarHBondContact O-N 3.35Å; V110-L113 WeakPolarHBondContact O-CB 3.39Å; V110-L113 PolarHBondContact O-N 3.48Å; V110-L113 VanDerWaalsContact O-N 3.16Å; N111-L113 VanDerWaalsContact C-N 3.27Å; N111-L113 PolarHBondContact O-N 3.32Å; L113-L115 VanDerWaalsContact C-N 3.35Å; L113-I116 PolarHBondContact O-N 3Å; L113-F117 PolarHBondContact O-N 3.46Å; L113-L312 HydrophobicContact CD2-CD2 4.47Å |
| 114 | F | 84.6 | Confident | 85.6 | Confident | 73 Ų | 73 | 50.7 Ų | 50.7 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 173.9 | -80.9 | -67.1 | 0 | 0 | 0 | 111.6 | A77 V110 N111 I116 F117 T118 | A77-F114 HydrophobicContact CB-CB 4.47Å; V110-F114 HydrophobicContact CG1-CD2 3.82Å; V110-F114 HydrophobicContact CG1-CE2 3.57Å; V110-F114 VanDerWaalsContact O-CD2 3.29Å; V110-F114 WeakPolarHBondContact O-CD2 3.05Å; V110-F114 PolarHBondContact O-N 2.96Å; N111-F114 PolarHBondContact O-N 3.38Å; N111-F114 VanDerWaalsContact O-N 3.13Å; F114-I116 PolarHBondContact O-N 2.94Å; F114-F117 WeakPolarHBondContact O-CB 3.42Å; F114-F117 PolarHBondContact O-N 2.97Å; F114-F117 VanDerWaalsContact O-N 3.14Å; F114-T118 WeakPolarHBondContact O-CB 3.48Å; F114-T118 PolarHBondContact O-N 3.34Å; F114-T118 PolarHBondContact O-OG1 3.31Å |
| 115 | L | 82.9 | Confident | 85.8 | Confident | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 178 | -68.1 | 171.2 | 0 | 0 | 0 | 112.8 | N111 G112 L113 A119 I304 V308 | N111-L115 WeakPolarHBondContact O-CG 3.48Å; N111-L115 PolarHBondContact O-N 3.2Å; G112-L115 PolarHBondContact O-N 3.48Å; L113-L115 VanDerWaalsContact C-N 3.35Å; L115-A119 VanDerWaalsContact O-CB 3.24Å; L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 3.07Å; L115-I304 HydrophobicContact CB-CG2 4.46Å; L115-V308 HydrophobicContact CB-CG1 4.41Å; L115-V308 HydrophobicContact CB-CG2 3.51Å; L115-V308 HydrophobicContact CD1-CG2 3.75Å; L115-V308 HydrophobicContact CG-CG2 4.27Å |
| 116 | I | 87.8 | Confident | 85.8 | Confident | 74 Ų | 74 | 51.6 Ų | 51.6 | 38% | 0.379 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 172 | -72.7 | -175.6 | 0 | 0 | 0 | 111 | G112 L113 F114 A119 F120 V308 L312 | G112-I116 PolarHBondContact O-N 3.2Å; G112-I116 VanDerWaalsContact O-N 3.08Å; L113-I116 PolarHBondContact O-N 3Å; F114-I116 PolarHBondContact O-N 2.94Å; I116-A119 PolarHBondContact O-N 3.23Å; I116-F120 WeakPolarHBondContact O-CB 3.26Å; I116-F120 PolarHBondContact O-N 3.12Å; I116-V308 HydrophobicContact CD1-CG1 4.32Å; I116-V308 HydrophobicContact CG1-CB 4.45Å; I116-V308 HydrophobicContact CG1-CG1 3.87Å; I116-L312 HydrophobicContact CD1-CD1 3.26Å; I116-L312 HydrophobicContact CG1-CD1 4.17Å |
| 117 | F | 87.3 | Confident | 85.9 | Confident | 113 Ų | 113 | 49.6 Ų | 49.6 | 50% | 0.496 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 178.3 | 174.6 | -98.3 | 0 | 0 | 0 | 111.3 | L113 F114 F120 F121 | L113-F117 PolarHBondContact O-N 3.46Å; F114-F117 WeakPolarHBondContact O-CB 3.42Å; F114-F117 PolarHBondContact O-N 2.97Å; F114-F117 VanDerWaalsContact O-N 3.14Å; F117-F120 PolarHBondContact O-N 2.91Å; F117-F121 PolarHBondContact O-N 3.16Å |
| 118 | T | 84.1 | Confident | 85.9 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 174.8 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | H70 F114 F120 F121 I122 | H70-T118 HydrophobicContact CB-CG2 3.73Å; F114-T118 WeakPolarHBondContact O-CB 3.48Å; F114-T118 PolarHBondContact O-N 3.34Å; F114-T118 PolarHBondContact O-OG1 3.31Å; T118-F120 VanDerWaalsContact C-N 3.33Å; T118-F120 PolarHBondContact O-N 3.37Å; T118-F121 WeakPolarHBondContact O-CB 3.2Å; T118-F121 PolarHBondContact O-N 3.44Å; T118-F121 VanDerWaalsContact O-N 3.15Å; T118-I122 HydrophobicContact CG2-CD1 3.69Å; T118-I122 HydrophobicContact CG2-CG1 4.31Å; T118-I122 WeakPolarHBondContact O-CG1 3.18Å; T118-I122 PolarHBondContact O-N 2.93Å |
| 119 | A | 86.9 | Confident | 85.9 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L115 I116 F121 F123 A301 I304 | L115-A119 VanDerWaalsContact O-CB 3.24Å; L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 3.07Å; I116-A119 PolarHBondContact O-N 3.23Å; A119-F121 VanDerWaalsContact C-N 3.34Å; A119-F121 PolarHBondContact O-N 3.46Å; A119-F123 VanDerWaalsContact O-CB 3.28Å; A119-F123 WeakPolarHBondContact O-CB 3.2Å; A119-F123 PolarHBondContact O-N 2.86Å; A119-A301 WeakPolarHBondContact O-CB 3.31Å; A119-I304 HydrophobicContact CB-CB 4.22Å; A119-I304 HydrophobicContact CB-CG2 3.97Å |
| 120 | F | 89.9 | Confident | 85.9 | Confident | 145 Ų | 145 | 55 Ų | 55 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.8 | -42.3 | 175.2 | 174.8 | -98.4 | 0 | 0 | 0 | 112 | I116 F117 T118 F123 S124 | I116-F120 WeakPolarHBondContact O-CB 3.26Å; I116-F120 PolarHBondContact O-N 3.12Å; F117-F120 PolarHBondContact O-N 2.91Å; T118-F120 VanDerWaalsContact C-N 3.33Å; T118-F120 PolarHBondContact O-N 3.37Å; F120-F123 PolarHBondContact O-N 3.21Å; F120-S124 WeakPolarHBondContact O-CB 3.39Å; F120-S124 PolarHBondContact O-N 2.97Å |
| 121 | F | 85.8 | Confident | 85.9 | Confident | 84 Ų | 84 | 59 Ų | 59 | 37% | 0.368 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 178.4 | -174.5 | -105.5 | 0 | 0 | 0 | 112.1 | S66 F117 T118 A119 F123 S124 E125 | S66-F121 WeakPolarHBondContact OG-CE1 3.14Å; F117-F121 PolarHBondContact O-N 3.16Å; T118-F121 WeakPolarHBondContact O-CB 3.2Å; T118-F121 PolarHBondContact O-N 3.44Å; T118-F121 VanDerWaalsContact O-N 3.15Å; A119-F121 VanDerWaalsContact C-N 3.34Å; A119-F121 PolarHBondContact O-N 3.46Å; F121-F123 VanDerWaalsContact C-N 3.29Å; F121-F123 PolarHBondContact O-N 2.96Å; F121-S124 PolarHBondContact O-N 3.33Å; F121-E125 WeakPolarHBondContact O-CB 3.24Å; F121-E125 PolarHBondContact O-N 3.36Å |
| 122 | I | 84.3 | Confident | 85.7 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60 | -40.9 | 176.1 | -63.9 | 169.3 | 0 | 0 | 0 | 110.9 | H70 T118 G126 A301 I304 | H70-I122 HydrophobicContact CB-CD1 4.29Å; H70-I122 HydrophobicContact CB-CG1 4.47Å; T118-I122 HydrophobicContact CG2-CD1 3.69Å; T118-I122 HydrophobicContact CG2-CG1 4.31Å; T118-I122 WeakPolarHBondContact O-CG1 3.18Å; T118-I122 PolarHBondContact O-N 2.93Å; I122-G126 PolarHBondContact O-N 3.38Å; I122-A301 HydrophobicContact CB-CB 4.12Å; I122-A301 HydrophobicContact CG2-CB 3.96Å; I122-I304 HydrophobicContact CD1-CD1 4.46Å |
| 123 | F | 89.9 | Confident | 85 | Confident | 91 Ų | 91 | 68.4 Ų | 68.4 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 177 | -174.3 | -91.5 | 0 | 0 | 0 | 111.8 | A119 F120 F121 E125 G126 V127 M298 A301 | A119-F123 VanDerWaalsContact O-CB 3.28Å; A119-F123 WeakPolarHBondContact O-CB 3.2Å; A119-F123 PolarHBondContact O-N 2.86Å; F120-F123 PolarHBondContact O-N 3.21Å; F121-F123 VanDerWaalsContact C-N 3.29Å; F121-F123 PolarHBondContact O-N 2.96Å; F123-E125 PolarHBondContact O-N 3.47Å; F123-G126 PolarHBondContact O-N 3.36Å; F123-V127 HydrophobicContact CD1-CG2 4.1Å; F123-V127 HydrophobicContact CE1-CG2 3.71Å; F123-V127 HydrophobicContact CZ-CG2 4.13Å; F123-V127 WeakPolarHBondContact O-CG2 3.29Å; F123-V127 PolarHBondContact O-N 2.58Å; F123-M298 HydrophobicContact CD2-CB 4.1Å; F123-M298 HydrophobicContact CD2-CG 4.04Å; F123-M298 HydrophobicContact CE2-CB 4.08Å; F123-M298 HydrophobicContact CE2-CG 4.04Å; F123-M298 HydrophobicContact CE2-SD 4.27Å; F123-M298 HydrophobicContact CZ-SD 4.49Å; F123-A301 HydrophobicContact CB-CB 3.81Å; F123-A301 HydrophobicContact CD2-CB 4.41Å |
| 124 | S | 88.3 | Confident | 83.9 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 178.3 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | F120 F121 G126 V127 E128 | F120-S124 WeakPolarHBondContact O-CB 3.39Å; F120-S124 PolarHBondContact O-N 2.97Å; F121-S124 PolarHBondContact O-N 3.33Å; S124-G126 VanDerWaalsContact C-N 3.35Å; S124-V127 PolarHBondContact O-N 3.47Å; S124-E128 PolarHBondContact O-N 3.1Å |
| 125 | E | 84 | Confident | 82.5 | Confident | 33 Ų | 33 | 72.2 Ų | 72.2 | 15% | 0.154 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 175.9 | 178.4 | 88.9 | -157.6 | 0 | 0 | 111.4 | S66 F121 F123 V127 E128 R129 | S66-E125 WeakPolarHBondContact CB-OE2 3.15Å; S66-E125 PolarHBondContact OG-OE2 3.33Å; F121-E125 WeakPolarHBondContact O-CB 3.24Å; F121-E125 PolarHBondContact O-N 3.36Å; F123-E125 PolarHBondContact O-N 3.47Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.99Å; E125-E128 PolarHBondContact O-N 2.84Å; E125-R129 WeakPolarHBondContact O-CG 3.18Å; E125-R129 PolarHBondContact O-N 3.37Å; E125-R129 IonicContact OE1-CZ 3.46Å; E125-R129 VanDerWaalsContact OE1-CZ 3.3Å; E125-R129 IonicContact OE1-NE 3.58Å; E125-R129 PolarHBondContact OE1-NE 3.18Å; E125-R129 IonicContact OE1-NH2 3.38Å; E125-R129 PolarHBondContact OE1-NH2 2.97Å |
| 126 | G | 85.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I122 F123 S124 A130 P294 | I122-G126 PolarHBondContact O-N 3.38Å; F123-G126 PolarHBondContact O-N 3.36Å; S124-G126 VanDerWaalsContact C-N 3.35Å; G126-A130 WeakPolarHBondContact O-CB 3.5Å; G126-A130 PolarHBondContact O-N 2.98Å; G126-A130 VanDerWaalsContact O-N 3.1Å; G126-P294 WeakPolarHBondContact O-CB 3.5Å |
| 127 | V | 89.1 | Confident | 79.7 | Confident | 52 Ų | 52 | 75.6 Ų | 75.6 | 32% | 0.315 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 175.1 | 172 | 0 | 0 | 0 | 0 | 111.3 | F123 S124 E125 A130 L131 M298 | F123-V127 HydrophobicContact CD1-CG2 4.1Å; F123-V127 HydrophobicContact CE1-CG2 3.71Å; F123-V127 HydrophobicContact CZ-CG2 4.13Å; F123-V127 WeakPolarHBondContact O-CG2 3.29Å; F123-V127 PolarHBondContact O-N 2.58Å; S124-V127 PolarHBondContact O-N 3.47Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.99Å; V127-A130 WeakPolarHBondContact O-CB 3.43Å; V127-A130 PolarHBondContact O-N 2.68Å; V127-L131 HydrophobicContact CG1-CD1 4.03Å; V127-L131 WeakPolarHBondContact O-CG 3.34Å; V127-L131 PolarHBondContact O-N 2.77Å; V127-L131 VanDerWaalsContact O-N 3.13Å; V127-M298 HydrophobicContact CG2-SD 3.78Å |
| 128 | E | 85.5 | Confident | 78.4 | Confident | 121 Ų | 121 | 72.6 Ų | 72.6 | 57% | 0.565 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.2 | -47.9 | 177.9 | -172.2 | 171.8 | 174.9 | 0 | 0 | 111.3 | S124 E125 A130 L131 E132 | S124-E128 PolarHBondContact O-N 3.1Å; E125-E128 PolarHBondContact O-N 2.84Å; E128-A130 PolarHBondContact O-N 3.06Å; E128-L131 PolarHBondContact O-N 2.8Å; E128-L131 VanDerWaalsContact O-N 3.12Å; E128-E132 PolarHBondContact O-N 3.25Å |
| 129 | R | 80.8 | Confident | 77.4 | Confident | 44 Ų | 44 | 80.1 Ų | 80.1 | 17% | 0.166 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.4 | -25.5 | 176.3 | -64.9 | 176.5 | -165.4 | 159.8 | 5.1 | 113.6 | G63 E125 P134 D293 P294 | G63-R129 PolarHBondContact O-NH2 2.96Å; E125-R129 WeakPolarHBondContact O-CG 3.18Å; E125-R129 PolarHBondContact O-N 3.37Å; E125-R129 IonicContact OE1-CZ 3.46Å; E125-R129 VanDerWaalsContact OE1-CZ 3.3Å; E125-R129 IonicContact OE1-NE 3.58Å; E125-R129 PolarHBondContact OE1-NE 3.18Å; E125-R129 IonicContact OE1-NH2 3.38Å; E125-R129 PolarHBondContact OE1-NH2 2.97Å; R129-P134 HydrophobicContact CG-CG 4.42Å; R129-D293 IonicContact NH1-OD2 3.5Å; R129-P294 HydrophobicContact CB-CB 4.44Å; R129-P294 HydrophobicContact CB-CG 3.84Å |
| 130 | A | 85.6 | Confident | 76.5 | Confident | 39 Ų | 39 | 84.2 Ų | 84.2 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -75.4 | -32.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G126 V127 E128 P294 | G126-A130 WeakPolarHBondContact O-CB 3.5Å; G126-A130 PolarHBondContact O-N 2.98Å; G126-A130 VanDerWaalsContact O-N 3.1Å; V127-A130 WeakPolarHBondContact O-CB 3.43Å; V127-A130 PolarHBondContact O-N 2.68Å; E128-A130 PolarHBondContact O-N 3.06Å; A130-P294 HydrophobicContact CB-CB 3.8Å; A130-P294 HydrophobicContact CB-CG 4.39Å |
| 131 | L | 86.1 | Confident | 75.6 | Confident | 139 Ų | 139 | 78.8 Ų | 78.8 | 73% | 0.728 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -87.1 | -42.8 | -178 | -68.3 | 174.1 | 0 | 0 | 0 | 112.3 | V127 E128 | V127-L131 HydrophobicContact CG1-CD1 4.03Å; V127-L131 WeakPolarHBondContact O-CG 3.34Å; V127-L131 PolarHBondContact O-N 2.77Å; V127-L131 VanDerWaalsContact O-N 3.13Å; E128-L131 PolarHBondContact O-N 2.8Å; E128-L131 VanDerWaalsContact O-N 3.12Å |
| 132 | E | 79.8 | Confident | 75.3 | Confident | 153 Ų | 153 | 77 Ų | 77 | 72% | 0.715 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -124.4 | 86.4 | 179.3 | -66.3 | -173.6 | -177.3 | 0 | 0 | 108.7 | E128 P134 | E128-E132 PolarHBondContact O-N 3.25Å; E132-P134 WeakPolarHBondContact O-CD 3.37Å |
| 133 | P | 70 | Confident | 75.3 | Confident | 81 Ų | 81 | 79.1 Ų | 79.1 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | trans | -60.8 | 113.7 | 180 | -17.2 | 29.3 | 0 | 0 | 0 | 108.8 | ||||
| 134 | P | 63.6 | Low | 74.9 | Confident | 69 Ų | 69 | 75.6 Ų | 75.6 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | trans | -71.1 | 148.3 | 174.9 | 15.8 | -7.8 | 0 | 0 | 0 | 108.9 | R129 E132 V136 | R129-P134 HydrophobicContact CG-CG 4.42Å; E132-P134 WeakPolarHBondContact O-CD 3.37Å; P134-V136 HydrophobicContact CB-CG2 3.81Å; P134-V136 HydrophobicContact CG-CG2 3.64Å; P134-V136 WeakPolarHBondContact O-CG2 3.5Å; P134-V136 PolarHBondContact O-N 3.03Å | ||
| 135 | D | 54.8 | Low | 74.6 | Confident | 168 Ų | 168 | 73.5 Ų | 73.5 | 90% | 0.898 | 38% | 0.383 | S | S | * | . | trans | -69.2 | 72.6 | 170.1 | -77.1 | -46.4 | 0 | 0 | 0 | 109.6 | ||||
| 136 | V | 57.2 | Low | 74.8 | Confident | 45 Ų | 45 | 74.6 Ų | 74.6 | 27% | 0.273 | 39% | 0.392 | S | S | . | . | trans | -84.8 | 125.1 | -179.6 | -160.2 | 0 | 0 | 0 | 0 | 108.9 | P134 H138 L141 | P134-V136 HydrophobicContact CB-CG2 3.81Å; P134-V136 HydrophobicContact CG-CG2 3.64Å; P134-V136 WeakPolarHBondContact O-CG2 3.5Å; P134-V136 PolarHBondContact O-N 3.03Å; V136-H138 PolarHBondContact O-CE1 3.28Å; V136-H138 PolarHBondContact O-N 3.46Å; V136-H138 PolarHBondContact O-ND1 3.17Å; V136-L141 HydrophobicContact CG1-CD1 3.99Å; V136-L141 HydrophobicContact CG1-CG 4.4Å | ||
| 137 | H | 55.7 | Low | 74.9 | Confident | 117 Ų | 117 | 76.4 Ų | 76.4 | 54% | 0.542 | 41% | 0.407 | S | S | . | . | trans | -66.8 | 95.1 | 170 | -62.2 | -61.5 | 0 | 0 | 0 | 109.8 | E139 R140 | H137-E139 PolarHBondContact O-N 3.4Å; H137-R140 PolarHBondContact O-N 2.67Å | ||
| 138 | H | 60.2 | Low | 74.8 | Confident | 50 Ų | 50 | 74.1 Ų | 74.1 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | -25.8 | 179.4 | -57.6 | 84 | 0 | 0 | 0 | 114.8 | V136 R140 M290 | V136-H138 PolarHBondContact O-CE1 3.28Å; V136-H138 PolarHBondContact O-N 3.46Å; V136-H138 PolarHBondContact O-ND1 3.17Å; H138-R140 PolarHBondContact O-N 3.13Å; H138-M290 WeakPolarHBondContact CE1-CE 3.49Å; H138-M290 WeakPolarHBondContact NE2-CE 3.43Å |
| 139 | E | 62.4 | Low | 74.8 | Confident | 161 Ų | 161 | 70 Ų | 70 | 75% | 0.752 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.2 | 178.2 | -59.2 | -179 | -178.4 | 0 | 0 | 113.7 | H137 P143 | H137-E139 PolarHBondContact O-N 3.4Å; E139-P143 WeakPolarHBondContact O-CD 3.23Å; E139-P143 WeakPolarHBondContact O-CG 3.34Å |
| 140 | R | 68.9 | Low | 75.2 | Confident | 95 Ų | 95 | 72.9 Ų | 72.9 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -25.1 | -175.7 | -59.9 | -177.4 | -172.2 | 168.1 | 2.6 | 113.6 | Y55 S59 H137 H138 V144 | Y55-R140 HydrophobicContact CE1-CB 4.36Å; S59-R140 PolarHBondContact O-NH1 3.43Å; H137-R140 PolarHBondContact O-N 2.67Å; H138-R140 PolarHBondContact O-N 3.13Å; R140-V144 WeakPolarHBondContact O-CG2 3.5Å |
| 141 | L | 70.5 | Confident | 75.3 | Confident | 31 Ų | 31 | 72.2 Ų | 72.2 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -75.9 | -43.8 | -178 | -69 | 168.5 | 0 | 0 | 0 | 111.6 | L64 V136 V144 S145 | L64-L141 HydrophobicContact CD1-CD2 4.32Å; V136-L141 HydrophobicContact CG1-CD1 3.99Å; V136-L141 HydrophobicContact CG1-CG 4.4Å; L141-V144 PolarHBondContact O-N 2.88Å; L141-S145 PolarHBondContact O-N 3.41Å; L141-S145 PolarHBondContact O-OG 2.97Å; L141-S145 VanDerWaalsContact O-OG 3.08Å |
| 142 | L | 80.3 | Confident | 75.3 | Confident | 45 Ų | 45 | 66 Ų | 66 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.1 | -48.6 | -175.5 | -166.2 | 165.1 | 0 | 0 | 0 | 113.2 | V144 S145 V146 A281 L282 | L142-V144 VanDerWaalsContact C-N 3.27Å; L142-V144 PolarHBondContact O-N 3.39Å; L142-S145 PolarHBondContact O-N 2.89Å; L142-V146 HydrophobicContact CD2-CG2 3.84Å; L142-V146 VanDerWaalsContact O-CG2 3.3Å; L142-V146 WeakPolarHBondContact O-CG2 3.46Å; L142-V146 PolarHBondContact O-N 3.37Å; L142-A281 HydrophobicContact CB-CB 4.44Å; L142-L282 HydrophobicContact CD1-CD2 4.26Å |
| 143 | P | 83.7 | Confident | 75.7 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 178.8 | -22.1 | 33.8 | 0 | 0 | 0 | 113 | E139 A147 | E139-P143 WeakPolarHBondContact O-CD 3.23Å; E139-P143 WeakPolarHBondContact O-CG 3.34Å; P143-A147 WeakPolarHBondContact O-CB 3.4Å; P143-A147 PolarHBondContact O-N 2.9Å |
| 144 | V | 82.1 | Confident | 76.4 | Confident | 16 Ų | 16 | 62.2 Ų | 62.2 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.5 | -47.4 | -179.4 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | E52 Y55 L64 R140 L141 L142 V146 A147 G148 | E52-V144 HydrophobicContact CG-CG1 3.84Å; E52-V144 WeakPolarHBondContact OE1-CG1 3.31Å; Y55-V144 HydrophobicContact CD1-CG2 3.72Å; Y55-V144 HydrophobicContact CE1-CG2 3.59Å; L64-V144 HydrophobicContact CD1-CB 4.21Å; L64-V144 HydrophobicContact CD1-CG1 4.11Å; L64-V144 HydrophobicContact CD1-CG2 4Å; R140-V144 WeakPolarHBondContact O-CG2 3.5Å; L141-V144 PolarHBondContact O-N 2.88Å; L142-V144 VanDerWaalsContact C-N 3.27Å; L142-V144 PolarHBondContact O-N 3.39Å; V144-V146 VanDerWaalsContact C-N 3.31Å; V144-V146 PolarHBondContact O-N 2.87Å; V144-A147 WeakPolarHBondContact O-CB 3.32Å; V144-A147 PolarHBondContact O-N 2.97Å; V144-A147 VanDerWaalsContact O-N 3.12Å; V144-G148 PolarHBondContact O-N 3.29Å |
| 145 | S | 81.8 | Confident | 77.1 | Confident | 13 Ų | 13 | 59 Ų | 59 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 176 | -49.9 | 0 | 0 | 0 | 0 | 113 | L141 L142 L149 V277 | L141-S145 PolarHBondContact O-N 3.41Å; L141-S145 PolarHBondContact O-OG 2.97Å; L141-S145 VanDerWaalsContact O-OG 3.08Å; L142-S145 PolarHBondContact O-N 2.89Å; S145-L149 WeakPolarHBondContact O-CB 3.43Å; S145-L149 PolarHBondContact O-N 2.91Å; S145-V277 WeakPolarHBondContact OG-CG1 3.43Å |
| 146 | V | 88.1 | Confident | 78.3 | Confident | 57 Ų | 57 | 52.5 Ų | 52.5 | 35% | 0.345 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 173.1 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L142 V144 L149 L150 I278 | L142-V146 HydrophobicContact CD2-CG2 3.84Å; L142-V146 VanDerWaalsContact O-CG2 3.3Å; L142-V146 WeakPolarHBondContact O-CG2 3.46Å; L142-V146 PolarHBondContact O-N 3.37Å; V144-V146 VanDerWaalsContact C-N 3.31Å; V144-V146 PolarHBondContact O-N 2.87Å; V146-L149 PolarHBondContact O-N 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.07Å; V146-L150 PolarHBondContact O-N 2.92Å; V146-I278 HydrophobicContact CG2-CD1 4.02Å; V146-I278 HydrophobicContact CG2-CG1 4.27Å |
| 147 | A | 87.6 | Confident | 79.5 | Confident | 38 Ų | 38 | 56 Ų | 56 | 31% | 0.314 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F48 P143 V144 L149 L150 V151 | F48-A147 HydrophobicContact CE2-CB 3.85Å; F48-A147 HydrophobicContact CZ-CB 4.26Å; P143-A147 WeakPolarHBondContact O-CB 3.4Å; P143-A147 PolarHBondContact O-N 2.9Å; V144-A147 WeakPolarHBondContact O-CB 3.32Å; V144-A147 PolarHBondContact O-N 2.97Å; V144-A147 VanDerWaalsContact O-N 3.12Å; A147-L149 PolarHBondContact O-N 3.27Å; A147-L150 PolarHBondContact O-N 2.88Å; A147-V151 WeakPolarHBondContact O-CG2 3.29Å; A147-V151 PolarHBondContact O-N 3.27Å |
| 148 | G | 85.5 | Confident | 80.3 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F48 V144 L150 V151 N152 | F48-G148 VanDerWaalsContact CE1-CA 3.44Å; F48-G148 VanDerWaalsContact CZ-N 3.27Å; V144-G148 PolarHBondContact O-N 3.29Å; G148-L150 PolarHBondContact O-N 3.39Å; G148-V151 WeakPolarHBondContact O-CB 3.44Å; G148-V151 PolarHBondContact O-N 2.92Å; G148-N152 WeakPolarHBondContact O-CB 3.41Å; G148-N152 PolarHBondContact O-N 3.5Å; G148-N152 PolarHBondContact O-ND2 3.29Å |
| 149 | L | 86.9 | Confident | 80.7 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -44 | 173.5 | -178.3 | 63.8 | 0 | 0 | 0 | 112 | S145 V146 A147 N152 L153 T271 I275 I278 | S145-L149 WeakPolarHBondContact O-CB 3.43Å; S145-L149 PolarHBondContact O-N 2.91Å; V146-L149 PolarHBondContact O-N 3.3Å; A147-L149 PolarHBondContact O-N 3.27Å; L149-N152 PolarHBondContact O-N 2.99Å; L149-L153 HydrophobicContact CD1-CG 4.44Å; L149-L153 HydrophobicContact CG-CD1 4.13Å; L149-L153 HydrophobicContact CG-CG 4.49Å; L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 VanDerWaalsContact O-CG 3.28Å; L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 3.45Å; L149-T271 HydrophobicContact CD1-CG2 3.71Å; L149-I275 HydrophobicContact CD1-CD1 4.39Å; L149-I275 HydrophobicContact CD1-CG1 3.9Å; L149-I275 HydrophobicContact CD2-CG1 4.42Å; L149-I278 HydrophobicContact CB-CD1 4.27Å; L149-I278 HydrophobicContact CD2-CD1 3.78Å |
| 150 | L | 89.1 | Confident | 80.9 | Confident | 105 Ų | 105 | 50 Ų | 50 | 55% | 0.55 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 177.7 | -71 | 173.8 | 0 | 0 | 0 | 111.7 | V146 A147 G148 L153 V154 | V146-L150 WeakPolarHBondContact O-CG 3.07Å; V146-L150 PolarHBondContact O-N 2.92Å; A147-L150 PolarHBondContact O-N 2.88Å; G148-L150 PolarHBondContact O-N 3.39Å; L150-L153 PolarHBondContact O-N 3.42Å; L150-V154 WeakPolarHBondContact O-CG2 3.47Å; L150-V154 PolarHBondContact O-N 3.36Å |
| 151 | V | 87.7 | Confident | 80.4 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.8 | -49.8 | 174.5 | 156.3 | 0 | 0 | 0 | 0 | 110.9 | L44 N45 F48 A147 G148 L153 V154 G155 | L44-V151 HydrophobicContact CD2-CB 3.87Å; L44-V151 HydrophobicContact CD2-CG1 3.23Å; L44-V151 HydrophobicContact CD2-CG2 3.78Å; N45-V151 WeakPolarHBondContact OD1-CG1 3.46Å; F48-V151 HydrophobicContact CB-CG1 4.28Å; F48-V151 HydrophobicContact CB-CG2 4.25Å; F48-V151 HydrophobicContact CD1-CG1 4.33Å; F48-V151 HydrophobicContact CD2-CG2 3.86Å; F48-V151 HydrophobicContact CE2-CG2 4.39Å; F48-V151 HydrophobicContact CG-CB 4.47Å; F48-V151 HydrophobicContact CG-CG1 4.28Å; F48-V151 HydrophobicContact CG-CG2 3.96Å; A147-V151 WeakPolarHBondContact O-CG2 3.29Å; A147-V151 PolarHBondContact O-N 3.27Å; G148-V151 WeakPolarHBondContact O-CB 3.44Å; G148-V151 PolarHBondContact O-N 2.92Å; V151-L153 PolarHBondContact O-N 3.02Å; V151-V154 PolarHBondContact O-N 2.9Å; V151-G155 PolarHBondContact O-N 3.14Å |
| 152 | N | 86.6 | Confident | 79.3 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 178.9 | -74.9 | -29.3 | 0 | 0 | 0 | 112.6 | G148 L149 G155 I156 T271 | G148-N152 WeakPolarHBondContact O-CB 3.41Å; G148-N152 PolarHBondContact O-N 3.5Å; G148-N152 PolarHBondContact O-ND2 3.29Å; L149-N152 PolarHBondContact O-N 2.99Å; N152-G155 WeakPolarHBondContact O-CA 3.49Å; N152-G155 PolarHBondContact O-N 3.04Å; N152-G155 VanDerWaalsContact O-N 3.14Å; N152-I156 WeakPolarHBondContact O-CG1 3.45Å; N152-I156 PolarHBondContact O-N 3.46Å; N152-T271 WeakPolarHBondContact CB-OG1 3.34Å |
| 153 | L | 87 | Confident | 77.7 | Confident | 83 Ų | 83 | 51.2 Ų | 51.2 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 174.8 | -76 | 172.7 | 0 | 0 | 0 | 112.7 | L149 L150 V151 G155 I156 F157 | L149-L153 HydrophobicContact CD1-CG 4.44Å; L149-L153 HydrophobicContact CG-CD1 4.13Å; L149-L153 HydrophobicContact CG-CG 4.49Å; L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 VanDerWaalsContact O-CG 3.28Å; L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 3.45Å; L150-L153 PolarHBondContact O-N 3.42Å; V151-L153 PolarHBondContact O-N 3.02Å; L153-G155 VanDerWaalsContact C-N 3.25Å; L153-G155 PolarHBondContact O-N 3.27Å; L153-I156 PolarHBondContact O-N 2.94Å; L153-F157 WeakPolarHBondContact O-CB 3.42Å; L153-F157 PolarHBondContact O-N 3.31Å |
| 154 | V | 85.1 | Confident | 75.6 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 44% | 0.436 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 172.4 | 170.3 | 0 | 0 | 0 | 0 | 109.9 | L44 L150 V151 F157 V158 | L44-V154 HydrophobicContact CD1-CG1 3.81Å; L150-V154 WeakPolarHBondContact O-CG2 3.47Å; L150-V154 PolarHBondContact O-N 3.36Å; V151-V154 PolarHBondContact O-N 2.9Å; V154-F157 PolarHBondContact O-N 3.48Å; V154-V158 HydrophobicContact CG1-CG2 4.32Å; V154-V158 WeakPolarHBondContact O-CB 3.47Å; V154-V158 VanDerWaalsContact O-CG2 3.24Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 3.28Å |
| 155 | G | 77.5 | Confident | 73.3 | Confident | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.3 | -56.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F41 V151 N152 L153 F157 V158 F159 | F41-G155 VanDerWaalsContact CD2-CA 3.42Å; V151-G155 PolarHBondContact O-N 3.14Å; N152-G155 WeakPolarHBondContact O-CA 3.49Å; N152-G155 PolarHBondContact O-N 3.04Å; N152-G155 VanDerWaalsContact O-N 3.14Å; L153-G155 VanDerWaalsContact C-N 3.25Å; L153-G155 PolarHBondContact O-N 3.27Å; G155-F157 VanDerWaalsContact C-N 3.3Å; G155-F157 PolarHBondContact O-N 3.28Å; G155-V158 PolarHBondContact O-N 2.94Å; G155-F159 WeakPolarHBondContact O-CD2 3.08Å; G155-F159 PolarHBondContact O-N 3.02Å |
| 156 | I | 81.5 | Confident | 71.2 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 16% | 0.159 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.1 | -45.3 | 178.7 | -64.5 | 173.4 | 0 | 0 | 0 | 111.1 | N152 L153 V158 F159 Q160 I267 T271 | N152-I156 WeakPolarHBondContact O-CG1 3.45Å; N152-I156 PolarHBondContact O-N 3.46Å; L153-I156 PolarHBondContact O-N 2.94Å; I156-V158 PolarHBondContact O-N 3.39Å; I156-F159 PolarHBondContact O-N 3.34Å; I156-Q160 HydrophobicContact CG2-CG 4.33Å; I156-Q160 PolarHBondContact O-N 3.37Å; I156-I267 HydrophobicContact CD1-CG2 4.13Å; I156-I267 HydrophobicContact CG1-CG2 3.54Å; I156-T271 HydrophobicContact CD1-CG2 4.37Å |
| 157 | F | 80.9 | Confident | 68.5 | Low | 119 Ų | 119 | 66.7 Ų | 66.7 | 52% | 0.522 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | -179.7 | -177.2 | -93.3 | 0 | 0 | 0 | 112.3 | L153 V154 G155 F159 Q160 H161 | L153-F157 WeakPolarHBondContact O-CB 3.42Å; L153-F157 PolarHBondContact O-N 3.31Å; V154-F157 PolarHBondContact O-N 3.48Å; G155-F157 VanDerWaalsContact C-N 3.3Å; G155-F157 PolarHBondContact O-N 3.28Å; F157-F159 VanDerWaalsContact C-N 3.31Å; F157-F159 PolarHBondContact O-N 2.91Å; F157-Q160 PolarHBondContact O-N 2.87Å; F157-H161 AromaticContact CD2-CE1 3.58Å; F157-H161 AromaticContact CD2-ND1 3.51Å; F157-H161 AromaticContact CE2-CE1 3.05Å; F157-H161 WeakPolarHBondContact CE2-CE1 2.98Å; F157-H161 AromaticContact CE2-ND1 3.31Å; F157-H161 VanDerWaalsContact CE2-ND1 3.31Å; F157-H161 WeakPolarHBondContact CE2-ND1 3.19Å; F157-H161 AromaticContact CE2-NE2 3.62Å; F157-H161 AromaticContact CG-ND1 3.99Å; F157-H161 AromaticContact CZ-CD2 3.9Å; F157-H161 AromaticContact CZ-CE1 3.55Å; F157-H161 AromaticContact CZ-CG 3.82Å; F157-H161 AromaticContact CZ-ND1 3.58Å; F157-H161 AromaticContact CZ-NE2 3.74Å; F157-H161 WeakPolarHBondContact O-CB 3.44Å; F157-H161 PolarHBondContact O-N 3.28Å; F157-H161 PolarHBondContact O-ND1 2.92Å |
| 158 | V | 73.9 | Confident | 66.3 | Low | 48 Ų | 48 | 73.7 Ų | 73.7 | 29% | 0.291 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 177.1 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | N37 V154 G155 I156 G162 | N37-V158 HydrophobicContact CB-CG1 4.03Å; N37-V158 PolarHBondContact ND2-O 2.96Å; V154-V158 HydrophobicContact CG1-CG2 4.32Å; V154-V158 WeakPolarHBondContact O-CB 3.47Å; V154-V158 VanDerWaalsContact O-CG2 3.24Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 3.28Å; G155-V158 PolarHBondContact O-N 2.94Å; I156-V158 PolarHBondContact O-N 3.39Å; V158-G162 PolarHBondContact O-N 2.98Å |
| 159 | F | 68.3 | Low | 63.9 | Low | 30 Ų | 30 | 76.6 Ų | 76.6 | 13% | 0.132 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -74.4 | -39.7 | 176.2 | -79.3 | -71.1 | 0 | 0 | 0 | 113.1 | L38 F41 G155 I156 F157 L260 V263 I267 | L38-F159 HydrophobicContact CB-CE1 4.34Å; L38-F159 HydrophobicContact CB-CZ 4.17Å; L38-F159 HydrophobicContact CG-CZ 4.41Å; F41-F159 HydrophobicContact CB-CE2 3.85Å; F41-F159 HydrophobicContact CB-CZ 4.22Å; F41-F159 AromaticContact CD1-CE2 3.92Å; F41-F159 HydrophobicContact CD1-CE2 3.92Å; F41-F159 HydrophobicContact CD1-CZ 4.42Å; F41-F159 HydrophobicContact CD2-CE2 4.29Å; F41-F159 AromaticContact CG-CE2 3.72Å; F41-F159 HydrophobicContact CG-CE2 3.72Å; F41-F159 HydrophobicContact CG-CZ 4.41Å; G155-F159 WeakPolarHBondContact O-CD2 3.08Å; G155-F159 PolarHBondContact O-N 3.02Å; I156-F159 PolarHBondContact O-N 3.34Å; F157-F159 VanDerWaalsContact C-N 3.31Å; F157-F159 PolarHBondContact O-N 2.91Å; F159-L260 HydrophobicContact CD1-CD1 3.67Å; F159-L260 HydrophobicContact CE1-CD1 3.38Å; F159-L260 HydrophobicContact CZ-CD1 4.37Å; F159-V263 HydrophobicContact CE2-CG1 4.39Å; F159-V263 HydrophobicContact CZ-CG1 4.16Å; F159-I267 HydrophobicContact CD2-CD1 3.78Å; F159-I267 HydrophobicContact CE2-CD1 3.58Å |
| 160 | Q | 66.6 | Low | 61.7 | Low | 125 Ų | 125 | 83.3 Ų | 83.3 | 58% | 0.584 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70.8 | -42.3 | 178.9 | -78.7 | -177.6 | -29.2 | 0 | 0 | 113 | I156 F157 G162 G163 | I156-Q160 HydrophobicContact CG2-CG 4.33Å; I156-Q160 PolarHBondContact O-N 3.37Å; F157-Q160 PolarHBondContact O-N 2.87Å; Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.29Å; Q160-G163 PolarHBondContact O-N 3.44Å |
| 161 | H | 56.9 | Low | 59.1 | Low | 126 Ų | 126 | 81.6 Ų | 81.6 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -79.2 | -11.8 | 178.8 | -76.2 | 70.6 | 0 | 0 | 0 | 113.4 | F157 | F157-H161 AromaticContact CD2-CE1 3.58Å; F157-H161 AromaticContact CD2-ND1 3.51Å; F157-H161 AromaticContact CE2-CE1 3.05Å; F157-H161 WeakPolarHBondContact CE2-CE1 2.98Å; F157-H161 AromaticContact CE2-ND1 3.31Å; F157-H161 VanDerWaalsContact CE2-ND1 3.31Å; F157-H161 WeakPolarHBondContact CE2-ND1 3.19Å; F157-H161 AromaticContact CE2-NE2 3.62Å; F157-H161 AromaticContact CG-ND1 3.99Å; F157-H161 AromaticContact CZ-CD2 3.9Å; F157-H161 AromaticContact CZ-CE1 3.55Å; F157-H161 AromaticContact CZ-CG 3.82Å; F157-H161 AromaticContact CZ-ND1 3.58Å; F157-H161 AromaticContact CZ-NE2 3.74Å; F157-H161 WeakPolarHBondContact O-CB 3.44Å; F157-H161 PolarHBondContact O-N 3.28Å; F157-H161 PolarHBondContact O-ND1 2.92Å |
| 162 | G | 48.3 | Very low | 56.6 | Low | 18 Ų | 18 | 84 Ų | 84 | 19% | 0.186 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -73 | -26.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K33 V158 Q160 | K33-G162 WeakPolarHBondContact CE-O 2.92Å; K33-G162 PolarHBondContact NZ-O 3.44Å; V158-G162 PolarHBondContact O-N 2.98Å; Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.29Å |
| 163 | G | 46.9 | Very low | 54.1 | Low | 52 Ų | 52 | 92.2 Ų | 92.2 | 54% | 0.536 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -114.5 | -3.8 | -164.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q160 | Q160-G163 PolarHBondContact O-N 3.44Å |
| 164 | H | 40 | Very low | 51.5 | Low | 148 Ų | 148 | 91.5 Ų | 91.5 | 69% | 0.685 | 57% | 0.566 | S | S | * | * | trans | -132.4 | 93.6 | -177.1 | -81 | 64.7 | 0 | 0 | 0 | 112 | H166 | H164-H166 AromaticContact CD2-CD2 3.47Å; H164-H166 PolarHBondContact CD2-CD2 2.87Å; H164-H166 VanDerWaalsContact CD2-CD2 3.47Å | ||
| 165 | G | 32.3 | Very low | 49 | Very low | 81 Ų | 81 | 96 Ų | 96 | 84% | 0.835 | 58% | 0.583 | S | S | * | * | trans | -98.8 | 70.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 166 | H | 37.7 | Very low | 46.8 | Very low | 134 Ų | 134 | 101.1 Ų | 101.1 | 62% | 0.62 | 62% | 0.618 | S | S | * | * | trans | -107 | 105.8 | 169.3 | -66.5 | -68.7 | 0 | 0 | 0 | 108.6 | H164 H168 | H164-H166 AromaticContact CD2-CD2 3.47Å; H164-H166 PolarHBondContact CD2-CD2 2.87Å; H164-H166 VanDerWaalsContact CD2-CD2 3.47Å; H166-H168 PolarHBondContact O-N 2.99Å; H166-H168 VanDerWaalsContact O-N 3.16Å | ||
| 167 | S | 32.8 | Very low | 44.7 | Very low | 119 Ų | 119 | 108.2 Ų | 108.2 | 83% | 0.832 | 65% | 0.65 | S | S | * | * | trans | -57.3 | 108.4 | 162.6 | 168.1 | 0 | 0 | 0 | 0 | 108.4 | G169 | S167-G169 PolarHBondContact O-N 3.33Š| ||
| 168 | H | 40.8 | Very low | 42.3 | Very low | 185 Ų | 185 | 108.1 Ų | 108.1 | 86% | 0.856 | 66% | 0.664 | S | S | * | * | trans | -73 | 98.1 | 165.3 | -78.4 | -77.4 | 0 | 0 | 0 | 108.5 | H166 | H166-H168 PolarHBondContact O-N 2.99Å; H166-H168 VanDerWaalsContact O-N 3.16Å | ||
| 169 | G | 35.8 | Very low | 40.3 | Very low | 64 Ų | 64 | 114.3 Ų | 114.3 | 66% | 0.66 | 69% | 0.694 | S | S | * | * | trans | -71.6 | 129.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109 | S167 | S167-G169 PolarHBondContact O-N 3.33Š| ||
| 170 | D | 40.6 | Very low | 38.3 | Very low | 175 Ų | 175 | 122 Ų | 122 | 94% | 0.936 | 73% | 0.728 | S | S | * | * | trans | -52.8 | 145.1 | 175.8 | -167.6 | 22.9 | 0 | 0 | 0 | 113.1 | ||||
| 171 | G | 34 | Very low | 36.7 | Very low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | 144.3 | 72.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | H173 | G171-H173 PolarHBondContact O-N 3.43Š| ||
| 172 | G | 35.7 | Very low | 35.3 | Very low | 75 Ų | 75 | 119.4 Ų | 119.4 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -71 | 121.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 173 | H | 32.7 | Very low | 34.5 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | trans | -137.2 | 106.6 | 155 | -96.4 | -57.7 | 0 | 0 | 0 | 109 | G171 | G171-H173 PolarHBondContact O-N 3.43Š| ||
| 174 | G | 33.8 | Very low | 33.7 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | -93.2 | 137.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 175 | H | 32.2 | Very low | 33.3 | Very low | 168 Ų | 168 | 127.6 Ų | 127.6 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | trans | -138.8 | 115.1 | 157.8 | -65.4 | -62.1 | 0 | 0 | 0 | 110 | ||||
| 176 | S | 32.2 | Very low | 33.3 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -90.6 | 135.2 | 171.5 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 177 | H | 35.5 | Very low | 33 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | -134.8 | 110.6 | 156.5 | -76.9 | -74.5 | 0 | 0 | 0 | 111.2 | ||||
| 178 | S | 31.6 | Very low | 33.2 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -77.9 | 127.1 | 162.6 | 49.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 179 | L | 30.9 | Very low | 32.8 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | trans | -96.1 | 106.9 | 170.3 | -78.8 | 163.5 | 0 | 0 | 0 | 109.8 | ||||
| 180 | F | 26.7 | Very low | 32.6 | Very low | 191 Ų | 191 | 129.3 Ų | 129.3 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -145.8 | 111.8 | 151.8 | -155.1 | -104 | 0 | 0 | 0 | 111.1 | ||||
| 181 | N | 32.7 | Very low | 32.3 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | 82.6 | 124 | 141 | -150.4 | 24 | 0 | 0 | 0 | 121.8 | ||||
| 182 | G | 28.5 | Very low | 32.2 | Very low | 52 Ų | 52 | 130.8 Ų | 130.8 | 54% | 0.536 | 80% | 0.802 | S | S | . | * | 129.4 | 109.2 | 127 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 183 | S | 32 | Very low | 32.1 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | 72.9 | 153.9 | 146.3 | 77 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 184 | L | 30.2 | Very low | 32.2 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | cis | -178.7 | 148.5 | -25.8 | -168.6 | 78.1 | 0 | 0 | 0 | 104 | ||||
| 185 | S | 31.3 | Very low | 32.2 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | 72.1 | 118.2 | 164.5 | 69.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 186 | H | 32.3 | Very low | 32.3 | Very low | 195 Ų | 195 | 127.3 Ų | 127.3 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | 77.9 | 100.1 | 66.8 | -96.4 | 5 | 0 | 0 | 0 | 115.6 | |||||
| 187 | G | 31.5 | Very low | 32.4 | Very low | 68 Ų | 68 | 131.9 Ų | 131.9 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | 60.6 | 118.4 | 113.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 188 | H | 36.4 | Very low | 32.6 | Very low | 203 Ų | 203 | 127 Ų | 127 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | trans | -152.8 | 132.5 | 144.6 | -104.5 | -76.4 | 0 | 0 | 0 | 110.9 | ||||
| 189 | G | 31.1 | Very low | 32.8 | Very low | 78 Ų | 78 | 125 Ų | 125 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -93.1 | 177.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 190 | G | 31.7 | Very low | 33 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 139.7 | 108.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 191 | H | 34.2 | Very low | 33.2 | Very low | 203 Ų | 203 | 119.6 Ų | 119.6 | 94% | 0.94 | 80% | 0.798 | S | S | * | * | trans | 37.7 | 134.1 | 137 | -94.2 | -88.2 | 0 | 0 | 0 | 122.7 | ||||
| 192 | G | 33.6 | Very low | 33.6 | Very low | 74 Ų | 74 | 121.7 Ų | 121.7 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | 122.1 | 107.5 | 125.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 193 | G | 32.3 | Very low | 34 | Very low | 72 Ų | 72 | 123.7 Ų | 123.7 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | 69.6 | 122.3 | 118.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 194 | H | 36 | Very low | 34.6 | Very low | 202 Ų | 202 | 126.4 Ų | 126.4 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | 71.7 | 120.4 | 145.4 | -85.1 | -82.9 | 0 | 0 | 0 | 121.1 | ||||
| 195 | G | 33.5 | Very low | 35 | Very low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | 114.1 | 115.8 | 111 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 196 | G | 34.6 | Very low | 35.2 | Very low | 69 Ų | 69 | 124.5 Ų | 124.5 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | 97.6 | 106.8 | 125.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 197 | H | 34.5 | Very low | 35.7 | Very low | 205 Ų | 205 | 124.6 Ų | 124.6 | 95% | 0.949 | 80% | 0.803 | S | S | * | * | 57.8 | 137.2 | 129.6 | -81.3 | -80.5 | 0 | 0 | 0 | 122.8 | |||||
| 198 | G | 37.7 | Very low | 35.9 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 103.9 | 130.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 199 | G | 36.3 | Very low | 36.2 | Very low | 74 Ų | 74 | 123 Ų | 123 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | cis | 165.4 | 154.3 | 14.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 200 | H | 36.2 | Very low | 36.5 | Very low | 195 Ų | 195 | 123.5 Ų | 123.5 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | trans | -56.2 | 164 | -172.4 | -70.5 | -79.7 | 0 | 0 | 0 | 118.2 | ||||
| 201 | G | 31.3 | Very low | 37 | Very low | 59 Ų | 59 | 128 Ų | 128 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | trans | 100.8 | 132.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 202 | H | 40.1 | Very low | 37.2 | Very low | 191 Ų | 191 | 125.7 Ų | 125.7 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | cis | -155.5 | 156.7 | 42.3 | -71.5 | -81.9 | 0 | 0 | 0 | 113.7 | ||||
| 203 | S | 36.9 | Very low | 37.3 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -85 | 151.3 | 175.5 | 43.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 204 | H | 45.5 | Very low | 37.7 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | 49.7 | 122.1 | 142.8 | -59.5 | -61.4 | 0 | 0 | 0 | 122.5 | ||||
| 205 | D | 37.7 | Very low | 37.8 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | -149.2 | 127.3 | 128.3 | -90.3 | -40.4 | 0 | 0 | 0 | 104.9 | |||||
| 206 | G | 36.2 | Very low | 37.8 | Very low | 57 Ų | 57 | 125.5 Ų | 125.5 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | cis | 106.1 | 91.4 | 27 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 207 | H | 42.1 | Very low | 38.1 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | trans | -173.1 | 127.7 | 144.1 | -92 | -55.7 | 0 | 0 | 0 | 111.9 | ||||
| 208 | G | 36.1 | Very low | 38.1 | Very low | 59 Ų | 59 | 124.6 Ų | 124.6 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | trans | -70.4 | 173.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 209 | H | 42.6 | Very low | 38.2 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | -156.7 | 147.7 | 63.8 | -73.8 | -84.8 | 0 | 0 | 0 | 114.1 | |||||
| 210 | S | 37.3 | Very low | 38 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | trans | -33.5 | 169 | 148.3 | 40.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 211 | H | 42.2 | Very low | 38.2 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | cis | -164.4 | 153.1 | -7.4 | -98.4 | -68.4 | 0 | 0 | 0 | 104 | ||||
| 212 | D | 38.1 | Very low | 38.4 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | 169.6 | 128.6 | 85.8 | -91.5 | -47.1 | 0 | 0 | 0 | 108.3 | |||||
| 213 | G | 36.2 | Very low | 38.3 | Very low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | 97.3 | 128.9 | 111.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 214 | H | 40.6 | Very low | 38.3 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 94% | 0.935 | 78% | 0.778 | S | S | * | * | cis | -167.1 | 152.3 | 29.2 | -112.2 | -86.8 | 0 | 0 | 0 | 110.6 | ||||
| 215 | G | 37.1 | Very low | 37.9 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 82.4 | 113.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 216 | G | 33.6 | Very low | 37.7 | Very low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | 113 | 102.2 | 29.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 217 | H | 41.4 | Very low | 37.9 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -179.7 | 116 | 142.3 | -93.9 | -58.1 | 0 | 0 | 0 | 109.1 | ||||
| 218 | G | 34 | Very low | 37.5 | Very low | 61 Ų | 61 | 131.1 Ų | 131.1 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | -99.4 | 159 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 219 | H | 40 | Very low | 37.4 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | trans | -145.4 | 132 | 149.1 | -78.7 | -65.5 | 0 | 0 | 0 | 109.3 | ||||
| 220 | S | 33.2 | Very low | 37 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -105 | 174.8 | 177.3 | 49.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 221 | H | 39.2 | Very low | 37 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 97.9 | 133.2 | 170.4 | -63.6 | -73.9 | 0 | 0 | 0 | 114.8 | ||||
| 222 | D | 35.9 | Very low | 36.6 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | cis | -159.6 | 165.9 | 7.5 | -104.5 | -33.8 | 0 | 0 | 0 | 111.2 | ||||
| 223 | K | 39.1 | Very low | 36.4 | Very low | 180 Ų | 180 | 135 Ų | 135 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -65.8 | 150 | -177.9 | -65.9 | 171.7 | 174.3 | 173 | 0 | 114.5 | ||||
| 224 | H | 36.6 | Very low | 36.3 | Very low | 197 Ų | 197 | 139.8 Ų | 139.8 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | 164.5 | 138.6 | 113.8 | -95.3 | -80.3 | 0 | 0 | 0 | 111.6 | |||||
| 225 | G | 36.5 | Very low | 35.9 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 137.2 | 91.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 226 | D | 34.2 | Very low | 35.7 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -60.1 | 147.1 | 163.1 | 179.8 | 55.1 | 0 | 0 | 0 | 111.5 | ||||
| 227 | H | 40.4 | Very low | 35.7 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | 165.9 | 120.2 | 139.9 | -80.2 | -29 | 0 | 0 | 0 | 113.4 | ||||
| 228 | G | 32.5 | Very low | 35.2 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | 81.8 | 114.8 | 118.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 229 | H | 35.4 | Very low | 35 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | trans | -57.8 | 154.4 | 175.5 | -63.4 | -86.2 | 0 | 0 | 0 | 117 | ||||
| 230 | G | 33.8 | Very low | 34.4 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -175.9 | 107.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 231 | H | 36.9 | Very low | 34.2 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -68.3 | 134.5 | 174 | -78.4 | -96.7 | 0 | 0 | 0 | 111.1 | ||||
| 232 | E | 33.4 | Very low | 33.9 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -162.1 | 134 | 147.3 | -114.1 | 167.2 | -176.2 | 0 | 0 | 110.3 | ||||
| 233 | G | 35.2 | Very low | 33.5 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -70 | 130.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 234 | H | 33.8 | Very low | 32.9 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | -106.3 | 110.2 | 165.6 | -98.6 | -61.3 | 0 | 0 | 0 | 110.1 | H236 | H234-H236 PolarHBondContact O-N 2.98Š| ||
| 235 | G | 31.3 | Very low | 32.4 | Very low | 73 Ų | 73 | 130.9 Ų | 130.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -69.4 | 121.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G237 | G235-G237 PolarHBondContact O-N 3.08Å; G235-G237 VanDerWaalsContact O-N 3.14Å | ||
| 236 | H | 33.5 | Very low | 32 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | trans | -78.3 | 91.9 | 170.3 | -73 | -75.2 | 0 | 0 | 0 | 109.2 | H234 | H234-H236 PolarHBondContact O-N 2.98Š| ||
| 237 | G | 33.2 | Very low | 31.6 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -74.7 | 116.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | G235 G239 | G235-G237 PolarHBondContact O-N 3.08Å; G235-G237 VanDerWaalsContact O-N 3.14Å; G237-G239 PolarHBondContact O-N 3.41Å | ||
| 238 | H | 32.1 | Very low | 31.3 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -63.4 | 97.3 | 168.6 | -76.6 | -87.1 | 0 | 0 | 0 | 108.7 | G240 | H238-G240 PolarHBondContact O-N 2.94Š| ||
| 239 | G | 28.3 | Very low | 31.3 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | -67.6 | 97.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | G237 H241 | G237-G239 PolarHBondContact O-N 3.41Å; G239-H241 PolarHBondContact O-N 3.29Å; G239-H241 VanDerWaalsContact O-N 3.16Å | ||
| 240 | G | 28.2 | Very low | 31.3 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | -57.6 | 115.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | H238 E242 | H238-G240 PolarHBondContact O-N 2.94Å; G240-E242 PolarHBondContact O-N 2.94Å | ||
| 241 | H | 29.1 | Very low | 31.4 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -67.2 | 86.6 | 165.5 | -151.9 | -92.3 | 0 | 0 | 0 | 105.8 | G239 D243 | G239-H241 PolarHBondContact O-N 3.29Å; G239-H241 VanDerWaalsContact O-N 3.16Å; H241-D243 VanDerWaalsContact C-N 3.3Å; H241-D243 IonicContact CE1-OD1 3.31Å; H241-D243 PolarHBondContact CE1-OD1 3.22Å; H241-D243 VanDerWaalsContact CE1-OD1 3.31Å; H241-D243 IonicContact ND1-OD1 2.86Å; H241-D243 PolarHBondContact ND1-OD1 3.49Å; H241-D243 PolarHBondContact O-N 3.33Å; H241-D243 VanDerWaalsContact O-N 3.08Å | ||
| 242 | E | 32.6 | Very low | 31.6 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -66.4 | 102.1 | 158.5 | -74.3 | -172.8 | 139.5 | 0 | 0 | 105.2 | G240 C244 | G240-E242 PolarHBondContact O-N 2.94Å; E242-C244 PolarHBondContact O-N 3.04Å | ||
| 243 | D | 27.7 | Very low | 31.9 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 60% | 0.604 | 69% | 0.688 | S | S | * | * | trans | -58.8 | 92.1 | 164.5 | -74.4 | -38.5 | 0 | 0 | 0 | 107.3 | H241 H245 | H241-D243 VanDerWaalsContact C-N 3.3Å; H241-D243 IonicContact CE1-OD1 3.31Å; H241-D243 PolarHBondContact CE1-OD1 3.22Å; H241-D243 VanDerWaalsContact CE1-OD1 3.31Å; H241-D243 IonicContact ND1-OD1 2.86Å; H241-D243 PolarHBondContact ND1-OD1 3.49Å; H241-D243 PolarHBondContact O-N 3.33Å; H241-D243 VanDerWaalsContact O-N 3.08Å; D243-H245 PolarHBondContact O-N 3.24Å | ||
| 244 | C | 26 | Very low | 32.3 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 78% | 0.777 | 66% | 0.656 | S | S | * | * | trans | -62.8 | 87.1 | 169.5 | -78 | 0 | 0 | 0 | 0 | 108.1 | E242 N246 | E242-C244 PolarHBondContact O-N 3.04Å; C244-N246 PolarHBondContact O-N 3.43Å | ||
| 245 | H | 27.3 | Very low | 33 | Very low | 166 Ų | 166 | 109.3 Ų | 109.3 | 77% | 0.769 | 62% | 0.62 | S | S | * | * | trans | -63.4 | 85 | 155.4 | -73.2 | -79.9 | 0 | 0 | 0 | 107.5 | D243 E247 | D243-H245 PolarHBondContact O-N 3.24Å; H245-E247 PolarHBondContact O-N 3.1Å | ||
| 246 | N | 26.1 | Very low | 34 | Very low | 135 Ų | 135 | 107.4 Ų | 107.4 | 72% | 0.722 | 60% | 0.595 | S | S | * | * | trans | -72.5 | 73.7 | 166.9 | -163.3 | 9.2 | 0 | 0 | 0 | 107.5 | C244 L248 | C244-N246 PolarHBondContact O-N 3.43Å; N246-L248 VanDerWaalsContact C-N 3.31Å; N246-L248 PolarHBondContact O-N 3.37Å | ||
| 247 | E | 27.6 | Very low | 35.2 | Very low | 145 Ų | 145 | 104.3 Ų | 104.3 | 68% | 0.678 | 58% | 0.579 | S | S | * | * | trans | -63.5 | 100.4 | 161.5 | -70.8 | -122.8 | 116.3 | 0 | 0 | 106.2 | H245 Q249 | H245-E247 PolarHBondContact O-N 3.1Å; E247-Q249 PolarHBondContact O-N 3.47Å | ||
| 248 | L | 32.6 | Very low | 36.6 | Very low | 145 Ų | 145 | 103.8 Ų | 103.8 | 76% | 0.759 | 56% | 0.558 | S | S | * | * | trans | -59.4 | 84.3 | 164.2 | -101.7 | 108.2 | 0 | 0 | 0 | 107.9 | N246 R250 | N246-L248 VanDerWaalsContact C-N 3.31Å; N246-L248 PolarHBondContact O-N 3.37Å; L248-R250 PolarHBondContact O-N 2.86Å | ||
| 249 | Q | 33.5 | Very low | 38.2 | Very low | 72 Ų | 72 | 96.4 Ų | 96.4 | 34% | 0.336 | 53% | 0.525 | S | S | . | . | trans | -62.4 | 106.3 | 178.5 | -161.4 | 92.7 | 72 | 0 | 0 | 108 | E247 E253 R391 | E247-Q249 PolarHBondContact O-N 3.47Å; Q249-E253 HydrophobicContact CG-CB 4.07Å; Q249-E253 PolarHBondContact NE2-OE1 3.39Å; Q249-E253 PolarHBondContact NE2-OE2 3.39Å; Q249-R391 PolarHBondContact O-NH2 3.1Å | ||
| 250 | R | 35 | Very low | 40 | Very low | 198 Ų | 198 | 95.3 Ų | 95.3 | 75% | 0.747 | 50% | 0.501 | S | S | * | . | trans | -61.4 | 147.1 | -175.6 | -58.9 | 178.7 | 85 | -167.5 | 6.7 | 108.5 | L248 G252 E253 | L248-R250 PolarHBondContact O-N 2.86Å; R250-G252 PolarHBondContact O-N 2.96Å; R250-E253 PolarHBondContact O-N 3.17Å | ||
| 251 | P | 35.7 | Very low | 41.8 | Very low | 89 Ų | 89 | 98.1 Ų | 98.1 | 58% | 0.578 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 27.1 | -170.6 | -17.3 | 30.6 | 0 | 0 | 0 | 117.7 | ||
| 252 | G | 40.6 | Very low | 43.7 | Very low | 24 Ų | 24 | 91.4 Ų | 91.4 | 25% | 0.247 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147.4 | 7.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R250 S256 | R250-G252 PolarHBondContact O-N 2.96Å; G252-S256 PolarHBondContact O-OG 3.18Å |
| 253 | E | 40.4 | Very low | 45.6 | Very low | 84 Ų | 84 | 83.3 Ų | 83.3 | 39% | 0.393 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -79.7 | -33.2 | 179.5 | -108.5 | 176.3 | 130.3 | 0 | 0 | 113.5 | Q249 R250 K257 | Q249-E253 HydrophobicContact CG-CB 4.07Å; Q249-E253 PolarHBondContact NE2-OE1 3.39Å; Q249-E253 PolarHBondContact NE2-OE2 3.39Å; R250-E253 PolarHBondContact O-N 3.17Å; E253-K257 WeakPolarHBondContact O-CG 3.24Å; E253-K257 PolarHBondContact O-N 2.96Å |
| 254 | G | 43.3 | Very low | 47.6 | Very low | 16 Ų | 16 | 81.2 Ų | 81.2 | 17% | 0.165 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K257 Q258 | G254-K257 WeakPolarHBondContact O-CB 3.33Å; G254-K257 PolarHBondContact O-N 2.94Å; G254-Q258 PolarHBondContact O-N 3.41Å |
| 255 | S | 48.2 | Very low | 49.7 | Very low | 6 Ų | 6 | 80.7 Ų | 80.7 | 4% | 0.042 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -80.7 | -30.1 | -178.9 | -160.3 | 0 | 0 | 0 | 0 | 113.7 | E104 K257 Q258 I259 T357 | E104-S255 WeakPolarHBondContact OE2-CB 3.5Å; E104-S255 PolarHBondContact OE2-OG 2.89Å; S255-K257 PolarHBondContact O-N 2.85Å; S255-Q258 PolarHBondContact O-N 3.18Å; S255-I259 PolarHBondContact O-N 2.94Å; S255-T357 PolarHBondContact OG-OG1 2.95Å |
| 256 | S | 53.8 | Low | 51.9 | Low | 34 Ų | 34 | 74 Ų | 74 | 24% | 0.238 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.2 | -33.4 | 168.7 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | G252 L260 | G252-S256 PolarHBondContact O-OG 3.18Å; S256-L260 WeakPolarHBondContact O-CB 3.38Å; S256-L260 PolarHBondContact O-N 3.33Å; S256-L260 VanDerWaalsContact O-N 3.1Å |
| 257 | K | 58.3 | Low | 54.3 | Low | 111 Ų | 111 | 67.6 Ų | 67.6 | 48% | 0.483 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 172.8 | -65.3 | 171.6 | -176.4 | 176.2 | 0 | 112.1 | E253 G254 S255 L260 Q261 | E253-K257 WeakPolarHBondContact O-CG 3.24Å; E253-K257 PolarHBondContact O-N 2.96Å; G254-K257 WeakPolarHBondContact O-CB 3.33Å; G254-K257 PolarHBondContact O-N 2.94Å; S255-K257 PolarHBondContact O-N 2.85Å; K257-L260 PolarHBondContact O-N 3.05Å; K257-Q261 VanDerWaalsContact O-CB 3.24Å; K257-Q261 WeakPolarHBondContact O-CB 3.42Å; K257-Q261 WeakPolarHBondContact O-CG 3.49Å; K257-Q261 PolarHBondContact O-N 3.43Å |
| 258 | Q | 61.4 | Low | 56.7 | Low | 59 Ų | 59 | 64.1 Ų | 64.1 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.5 | -45 | 178.6 | -76.5 | -171.9 | -29.1 | 0 | 0 | 113.1 | G254 S255 L260 Q261 G262 E314 T357 | G254-Q258 PolarHBondContact O-N 3.41Å; S255-Q258 PolarHBondContact O-N 3.18Å; Q258-L260 VanDerWaalsContact C-N 3.3Å; Q258-L260 PolarHBondContact O-N 3.39Å; Q258-Q261 PolarHBondContact O-N 3.46Å; Q258-G262 PolarHBondContact O-N 3.46Å; Q258-E314 PolarHBondContact NE2-OE1 3.4Å; Q258-T357 HydrophobicContact CG-CG2 3.89Å; Q258-T357 VanDerWaalsContact NE2-CG2 3.34Å; Q258-T357 VanDerWaalsContact OE1-CG2 3.26Å; Q258-T357 PolarHBondContact OE1-OG1 2.95Å |
| 259 | I | 66.6 | Low | 58.9 | Low | 34 Ų | 34 | 58.6 Ų | 58.6 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.8 | -64.8 | 173.9 | 0 | 0 | 0 | 109.2 | E104 S255 G262 V263 | E104-I259 HydrophobicContact CB-CD1 4.35Å; E104-I259 HydrophobicContact CG-CD1 4.05Å; S255-I259 PolarHBondContact O-N 2.94Å; I259-G262 PolarHBondContact O-N 3.5Å; I259-V263 HydrophobicContact CG2-CG2 4.33Å; I259-V263 WeakPolarHBondContact O-CG2 3.31Å; I259-V263 PolarHBondContact O-N 3.37Å |
| 260 | L | 66.5 | Low | 61.1 | Low | 51 Ų | 51 | 56.2 Ų | 56.2 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 177.6 | -177.9 | 66.5 | 0 | 0 | 0 | 113.2 | T34 F159 S256 K257 Q258 G262 V263 L264 | T34-L260 HydrophobicContact CG2-CD1 4.17Å; T34-L260 HydrophobicContact CG2-CD2 3.9Å; F159-L260 HydrophobicContact CD1-CD1 3.67Å; F159-L260 HydrophobicContact CE1-CD1 3.38Å; F159-L260 HydrophobicContact CZ-CD1 4.37Å; S256-L260 WeakPolarHBondContact O-CB 3.38Å; S256-L260 PolarHBondContact O-N 3.33Å; S256-L260 VanDerWaalsContact O-N 3.1Å; K257-L260 PolarHBondContact O-N 3.05Å; Q258-L260 VanDerWaalsContact C-N 3.3Å; Q258-L260 PolarHBondContact O-N 3.39Å; L260-G262 VanDerWaalsContact C-N 3.35Å; L260-V263 PolarHBondContact O-N 3.28Å; L260-L264 WeakPolarHBondContact O-CB 3.28Å; L260-L264 PolarHBondContact O-N 2.98Å |
| 261 | Q | 65.1 | Low | 63.3 | Low | 128 Ų | 128 | 47.4 Ų | 47.4 | 60% | 0.598 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 174.9 | -80.7 | 175.5 | -18.3 | 0 | 0 | 111 | K257 Q258 L264 L265 | K257-Q261 VanDerWaalsContact O-CB 3.24Å; K257-Q261 WeakPolarHBondContact O-CB 3.42Å; K257-Q261 WeakPolarHBondContact O-CG 3.49Å; K257-Q261 PolarHBondContact O-N 3.43Å; Q258-Q261 PolarHBondContact O-N 3.46Å; Q261-L264 PolarHBondContact O-N 2.92Å; Q261-L265 WeakPolarHBondContact O-CB 3.28Å; Q261-L265 PolarHBondContact O-N 3.38Å |
| 262 | G | 69.6 | Low | 65.5 | Low | 23 Ų | 23 | 48.1 Ų | 48.1 | 24% | 0.237 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q258 I259 L260 L265 H266 | Q258-G262 PolarHBondContact O-N 3.46Å; I259-G262 PolarHBondContact O-N 3.5Å; L260-G262 VanDerWaalsContact C-N 3.35Å; G262-L265 PolarHBondContact O-N 3.5Å; G262-H266 VanDerWaalsContact O-CB 3.31Å; G262-H266 WeakPolarHBondContact O-CB 3.47Å; G262-H266 PolarHBondContact O-N 3.22Å |
| 263 | V | 71.6 | Confident | 67.5 | Low | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 174.4 | -179.5 | 0 | 0 | 0 | 0 | 110.6 | L38 F41 L78 F159 I259 L260 L265 H266 I267 | L38-V263 HydrophobicContact CD1-CG2 3.72Å; L38-V263 HydrophobicContact CG-CG2 4.45Å; F41-V263 HydrophobicContact CD1-CG1 4.32Å; F41-V263 HydrophobicContact CE1-CG1 4.31Å; L78-V263 HydrophobicContact CD1-CG1 4.43Å; L78-V263 HydrophobicContact CD2-CB 4.17Å; L78-V263 HydrophobicContact CD2-CG1 4.21Å; L78-V263 HydrophobicContact CD2-CG2 3.43Å; L78-V263 VanDerWaalsContact CD2-CG2 3.43Å; F159-V263 HydrophobicContact CE2-CG1 4.39Å; F159-V263 HydrophobicContact CZ-CG1 4.16Å; I259-V263 HydrophobicContact CG2-CG2 4.33Å; I259-V263 WeakPolarHBondContact O-CG2 3.31Å; I259-V263 PolarHBondContact O-N 3.37Å; L260-V263 PolarHBondContact O-N 3.28Å; V263-L265 PolarHBondContact O-N 3.5Å; V263-H266 WeakPolarHBondContact O-CB 3.48Å; V263-H266 PolarHBondContact O-N 2.92Å; V263-I267 HydrophobicContact CG1-CD1 3.93Å; V263-I267 HydrophobicContact CG1-CG1 4.37Å; V263-I267 VanDerWaalsContact O-CG1 3.24Å; V263-I267 WeakPolarHBondContact O-CG1 3.41Å; V263-I267 PolarHBondContact O-N 3.4Å |
| 264 | L | 70.4 | Confident | 69.6 | Low | 69 Ų | 69 | 44.3 Ų | 44.3 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.8 | -44.7 | -179.5 | -179.9 | 67.4 | 0 | 0 | 0 | 112.1 | L260 Q261 H266 I267 I268 | L260-L264 WeakPolarHBondContact O-CB 3.28Å; L260-L264 PolarHBondContact O-N 2.98Å; Q261-L264 PolarHBondContact O-N 2.92Å; L264-H266 VanDerWaalsContact C-N 3.27Å; L264-H266 PolarHBondContact O-N 3.25Å; L264-I267 PolarHBondContact O-N 3.13Å; L264-I268 HydrophobicContact CD1-CD1 4.4Å; L264-I268 HydrophobicContact CG-CD1 4.06Å; L264-I268 VanDerWaalsContact O-CG1 3.29Å; L264-I268 WeakPolarHBondContact O-CG1 3.32Å; L264-I268 PolarHBondContact O-N 3.46Å |
| 265 | L | 69.6 | Low | 71.6 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 54% | 0.539 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 179.5 | -150.5 | 78.5 | 0 | 0 | 0 | 111.1 | Q261 G262 V263 I268 A269 | Q261-L265 WeakPolarHBondContact O-CB 3.28Å; Q261-L265 PolarHBondContact O-N 3.38Å; G262-L265 PolarHBondContact O-N 3.5Å; V263-L265 PolarHBondContact O-N 3.5Å; L265-I268 PolarHBondContact O-N 2.82Å; L265-A269 PolarHBondContact O-N 3.3Å |
| 266 | H | 74.6 | Confident | 73.3 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 13% | 0.125 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -47.7 | 172.8 | 171 | 60.4 | 0 | 0 | 0 | 111.9 | D74 G262 V263 L264 I268 A269 D270 | D74-H266 IonicContact OD2-CE1 3.25Å; D74-H266 PolarHBondContact OD2-CE1 2.94Å; G262-H266 VanDerWaalsContact O-CB 3.31Å; G262-H266 WeakPolarHBondContact O-CB 3.47Å; G262-H266 PolarHBondContact O-N 3.22Å; V263-H266 WeakPolarHBondContact O-CB 3.48Å; V263-H266 PolarHBondContact O-N 2.92Å; L264-H266 VanDerWaalsContact C-N 3.27Å; L264-H266 PolarHBondContact O-N 3.25Å; H266-I268 VanDerWaalsContact C-N 3.25Å; H266-I268 PolarHBondContact O-N 3.46Å; H266-A269 WeakPolarHBondContact O-CA 3.35Å; H266-A269 WeakPolarHBondContact O-CB 3.43Å; H266-A269 PolarHBondContact O-N 2.81Å; H266-D270 IonicContact CD2-OD2 2.75Å; H266-D270 IonicContact CE1-OD1 3.13Å; H266-D270 PolarHBondContact CE1-OD1 3.06Å; H266-D270 IonicContact CE1-OD2 3.46Å; H266-D270 PolarHBondContact CE1-OD2 2.9Å; H266-D270 IonicContact ND1-OD1 3.72Å; H266-D270 PolarHBondContact ND1-OD1 3.18Å; H266-D270 IonicContact ND1-OD2 3.3Å; H266-D270 IonicContact NE2-OD2 2.99Å; H266-D270 PolarHBondContact NE2-OD2 2.64Å; H266-D270 PolarHBondContact O-N 3.48Å |
| 267 | I | 76.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.1 | -42 | 175.7 | -63.5 | 169.9 | 0 | 0 | 0 | 111.2 | F41 I156 F159 V263 L264 A269 D270 T271 | F41-I267 HydrophobicContact CD1-CD1 3.97Å; F41-I267 HydrophobicContact CD2-CD1 4.38Å; F41-I267 HydrophobicContact CE1-CD1 3.44Å; F41-I267 VanDerWaalsContact CE1-CD1 3.44Å; F41-I267 HydrophobicContact CE1-CG1 3.55Å; F41-I267 HydrophobicContact CE2-CD1 3.91Å; F41-I267 HydrophobicContact CE2-CG1 4.18Å; F41-I267 HydrophobicContact CG-CD1 4.41Å; F41-I267 HydrophobicContact CZ-CD1 3.41Å; F41-I267 VanDerWaalsContact CZ-CD1 3.41Å; F41-I267 HydrophobicContact CZ-CG1 3.34Å; F41-I267 HydrophobicContact CZ-CG2 4.48Å; I156-I267 HydrophobicContact CD1-CG2 4.13Å; I156-I267 HydrophobicContact CG1-CG2 3.54Å; F159-I267 HydrophobicContact CD2-CD1 3.78Å; F159-I267 HydrophobicContact CE2-CD1 3.58Å; V263-I267 HydrophobicContact CG1-CD1 3.93Å; V263-I267 HydrophobicContact CG1-CG1 4.37Å; V263-I267 VanDerWaalsContact O-CG1 3.24Å; V263-I267 WeakPolarHBondContact O-CG1 3.41Å; V263-I267 PolarHBondContact O-N 3.4Å; L264-I267 PolarHBondContact O-N 3.13Å; I267-A269 VanDerWaalsContact C-N 3.33Å; I267-D270 PolarHBondContact O-N 3.29Å; I267-T271 WeakPolarHBondContact O-CB 3.42Å; I267-T271 PolarHBondContact O-N 3.35Å; I267-T271 PolarHBondContact O-OG1 3.4Å |
| 268 | I | 77.6 | Confident | 75.9 | Confident | 71 Ų | 71 | 42.9 Ų | 42.9 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63 | -42.5 | 176.8 | -69.2 | 166.4 | 0 | 0 | 0 | 110.3 | L264 L265 H266 T271 L272 | L264-I268 HydrophobicContact CD1-CD1 4.4Å; L264-I268 HydrophobicContact CG-CD1 4.06Å; L264-I268 VanDerWaalsContact O-CG1 3.29Å; L264-I268 WeakPolarHBondContact O-CG1 3.32Å; L264-I268 PolarHBondContact O-N 3.46Å; L265-I268 PolarHBondContact O-N 2.82Å; H266-I268 VanDerWaalsContact C-N 3.25Å; H266-I268 PolarHBondContact O-N 3.46Å; I268-T271 PolarHBondContact O-N 3.47Å; I268-L272 HydrophobicContact CG2-CD1 3.99Å; I268-L272 HydrophobicContact CG2-CG 4.42Å; I268-L272 WeakPolarHBondContact O-CB 3.26Å; I268-L272 VanDerWaalsContact O-CG 3.28Å; I268-L272 WeakPolarHBondContact O-CG 3.31Å; I268-L272 PolarHBondContact O-N 2.9Å |
| 269 | A | 78.1 | Confident | 77.1 | Confident | 30 Ų | 30 | 44.5 Ų | 44.5 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L265 H266 I267 T271 L272 G273 | L265-A269 PolarHBondContact O-N 3.3Å; H266-A269 WeakPolarHBondContact O-CA 3.35Å; H266-A269 WeakPolarHBondContact O-CB 3.43Å; H266-A269 PolarHBondContact O-N 2.81Å; I267-A269 VanDerWaalsContact C-N 3.33Å; A269-T271 VanDerWaalsContact C-N 3.33Å; A269-T271 PolarHBondContact O-N 3.02Å; A269-L272 PolarHBondContact O-N 2.98Å; A269-G273 PolarHBondContact O-N 2.99Å |
| 270 | D | 79.3 | Confident | 77.9 | Confident | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.9 | -35.8 | 178.7 | -61.4 | -6.8 | 0 | 0 | 0 | 111.9 | H266 I267 G273 S274 | H266-D270 IonicContact CD2-OD2 2.75Å; H266-D270 IonicContact CE1-OD1 3.13Å; H266-D270 PolarHBondContact CE1-OD1 3.06Å; H266-D270 IonicContact CE1-OD2 3.46Å; H266-D270 PolarHBondContact CE1-OD2 2.9Å; H266-D270 IonicContact ND1-OD1 3.72Å; H266-D270 PolarHBondContact ND1-OD1 3.18Å; H266-D270 IonicContact ND1-OD2 3.3Å; H266-D270 IonicContact NE2-OD2 2.99Å; H266-D270 PolarHBondContact NE2-OD2 2.64Å; H266-D270 PolarHBondContact O-N 3.48Å; I267-D270 PolarHBondContact O-N 3.29Å; D270-G273 PolarHBondContact O-N 3.25Å; D270-S274 WeakPolarHBondContact O-CB 3.15Å; D270-S274 PolarHBondContact O-N 3.43Å; D270-S274 PolarHBondContact O-OG 3.13Å |
| 271 | T | 82.6 | Confident | 78.7 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 174.3 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | L149 N152 I156 I267 I268 A269 G273 S274 I275 | L149-T271 HydrophobicContact CD1-CG2 3.71Å; N152-T271 WeakPolarHBondContact CB-OG1 3.34Å; I156-T271 HydrophobicContact CD1-CG2 4.37Å; I267-T271 WeakPolarHBondContact O-CB 3.42Å; I267-T271 PolarHBondContact O-N 3.35Å; I267-T271 PolarHBondContact O-OG1 3.4Å; I268-T271 PolarHBondContact O-N 3.47Å; A269-T271 VanDerWaalsContact C-N 3.33Å; A269-T271 PolarHBondContact O-N 3.02Å; T271-G273 VanDerWaalsContact C-N 3.29Å; T271-G273 PolarHBondContact O-N 3.45Å; T271-S274 PolarHBondContact O-N 3.39Å; T271-I275 HydrophobicContact CG2-CD1 4.27Å; T271-I275 VanDerWaalsContact O-CG1 3.31Å; T271-I275 WeakPolarHBondContact O-CG1 3.28Å; T271-I275 PolarHBondContact O-N 2.88Å |
| 272 | L | 81.3 | Confident | 79.6 | Confident | 105 Ų | 105 | 38.3 Ų | 38.3 | 55% | 0.55 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 176 | -73 | 172.8 | 0 | 0 | 0 | 111.3 | I268 A269 I275 G276 | I268-L272 HydrophobicContact CG2-CD1 3.99Å; I268-L272 HydrophobicContact CG2-CG 4.42Å; I268-L272 WeakPolarHBondContact O-CB 3.26Å; I268-L272 VanDerWaalsContact O-CG 3.28Å; I268-L272 WeakPolarHBondContact O-CG 3.31Å; I268-L272 PolarHBondContact O-N 2.9Å; A269-L272 PolarHBondContact O-N 2.98Å; L272-I275 PolarHBondContact O-N 3.46Å; L272-G276 PolarHBondContact O-N 3.37Å |
| 273 | G | 82.2 | Confident | 80.3 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -49.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A269 D270 T271 I275 G276 V277 I300 | A269-G273 PolarHBondContact O-N 2.99Å; D270-G273 PolarHBondContact O-N 3.25Å; T271-G273 VanDerWaalsContact C-N 3.29Å; T271-G273 PolarHBondContact O-N 3.45Å; G273-I275 VanDerWaalsContact C-N 3.32Å; G273-I275 PolarHBondContact O-N 2.82Å; G273-G276 WeakPolarHBondContact O-CA 3.46Å; G273-G276 PolarHBondContact O-N 3.45Å; G273-V277 WeakPolarHBondContact O-CG2 3.43Å; G273-V277 PolarHBondContact O-N 2.93Å; G273-I300 VanDerWaalsContact CA-CD1 3.45Å |
| 274 | S | 84.6 | Confident | 80.7 | Confident | 19 Ų | 19 | 40.6 Ų | 40.6 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.2 | -42.8 | 176.8 | -56 | 0 | 0 | 0 | 0 | 111.9 | D270 T271 V277 I278 | D270-S274 WeakPolarHBondContact O-CB 3.15Å; D270-S274 PolarHBondContact O-N 3.43Å; D270-S274 PolarHBondContact O-OG 3.13Å; T271-S274 PolarHBondContact O-N 3.39Å; S274-V277 PolarHBondContact O-N 3.49Å; S274-I278 WeakPolarHBondContact O-CD1 3.31Å; S274-I278 WeakPolarHBondContact O-CG1 3.27Å; S274-I278 PolarHBondContact O-N 3.02Å |
| 275 | I | 86.4 | Confident | 81.3 | Confident | 69 Ų | 69 | 42 Ų | 42 | 35% | 0.354 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 174.9 | -68.2 | 166.2 | 0 | 0 | 0 | 110.7 | L149 T271 L272 G273 V277 I278 I279 | L149-I275 HydrophobicContact CD1-CD1 4.39Å; L149-I275 HydrophobicContact CD1-CG1 3.9Å; L149-I275 HydrophobicContact CD2-CG1 4.42Å; T271-I275 HydrophobicContact CG2-CD1 4.27Å; T271-I275 VanDerWaalsContact O-CG1 3.31Å; T271-I275 WeakPolarHBondContact O-CG1 3.28Å; T271-I275 PolarHBondContact O-N 2.88Å; L272-I275 PolarHBondContact O-N 3.46Å; G273-I275 VanDerWaalsContact C-N 3.32Å; G273-I275 PolarHBondContact O-N 2.82Å; I275-V277 PolarHBondContact O-N 2.98Å; I275-I278 PolarHBondContact O-N 2.61Å; I275-I279 HydrophobicContact CG2-CD1 3.8Å; I275-I279 HydrophobicContact CG2-CG1 4.44Å; I275-I279 WeakPolarHBondContact O-CG1 3.26Å; I275-I279 PolarHBondContact O-N 3.3Å |
| 276 | G | 83.9 | Confident | 81.9 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.5 | -47.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L272 G273 I279 S280 C296 | L272-G276 PolarHBondContact O-N 3.37Å; G273-G276 WeakPolarHBondContact O-CA 3.46Å; G273-G276 PolarHBondContact O-N 3.45Å; G276-I279 PolarHBondContact O-N 3.27Å; G276-S280 PolarHBondContact O-N 2.89Å; G276-C296 WeakPolarHBondContact CA-SG 3.47Å |
| 277 | V | 81.1 | Confident | 82.2 | Confident | 26 Ų | 26 | 51 Ų | 51 | 16% | 0.158 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 177.9 | -180 | 0 | 0 | 0 | 0 | 111.8 | S145 G273 S274 I275 S280 A281 | S145-V277 WeakPolarHBondContact OG-CG1 3.43Å; G273-V277 WeakPolarHBondContact O-CG2 3.43Å; G273-V277 PolarHBondContact O-N 2.93Å; S274-V277 PolarHBondContact O-N 3.49Å; I275-V277 PolarHBondContact O-N 2.98Å; V277-S280 WeakPolarHBondContact CA-OG 3.28Å; V277-S280 PolarHBondContact O-N 3.01Å; V277-S280 PolarHBondContact O-OG 2.97Å; V277-A281 VanDerWaalsContact O-CB 3.29Å; V277-A281 WeakPolarHBondContact O-CB 3.29Å; V277-A281 PolarHBondContact O-N 3.32Å |
| 278 | I | 85.8 | Confident | 82.2 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 14% | 0.138 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 174 | -68.6 | 162.7 | 0 | 0 | 0 | 110.6 | V146 L149 S274 I275 A281 L282 | V146-I278 HydrophobicContact CG2-CD1 4.02Å; V146-I278 HydrophobicContact CG2-CG1 4.27Å; L149-I278 HydrophobicContact CB-CD1 4.27Å; L149-I278 HydrophobicContact CD2-CD1 3.78Å; S274-I278 WeakPolarHBondContact O-CD1 3.31Å; S274-I278 WeakPolarHBondContact O-CG1 3.27Å; S274-I278 PolarHBondContact O-N 3.02Å; I275-I278 PolarHBondContact O-N 2.61Å; I278-A281 PolarHBondContact O-N 2.91Å; I278-L282 HydrophobicContact CG2-CD1 4.27Å; I278-L282 WeakPolarHBondContact O-CG 3.5Å; I278-L282 PolarHBondContact O-N 2.9Å |
| 279 | I | 86.6 | Confident | 82.4 | Confident | 94 Ų | 94 | 58.4 Ų | 58.4 | 48% | 0.482 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 177.4 | -67.6 | 168.3 | 0 | 0 | 0 | 110.4 | I275 G276 A281 L282 L283 | I275-I279 HydrophobicContact CG2-CD1 3.8Å; I275-I279 HydrophobicContact CG2-CG1 4.44Å; I275-I279 WeakPolarHBondContact O-CG1 3.26Å; I275-I279 PolarHBondContact O-N 3.3Å; G276-I279 PolarHBondContact O-N 3.27Å; I279-A281 VanDerWaalsContact C-N 3.34Å; I279-A281 PolarHBondContact O-N 3Å; I279-L282 PolarHBondContact O-N 3.05Å; I279-L283 HydrophobicContact CG2-CD1 4.08Å; I279-L283 HydrophobicContact CG2-CG 4.42Å; I279-L283 WeakPolarHBondContact O-CG 3.27Å; I279-L283 PolarHBondContact O-N 2.92Å |
| 280 | S | 83.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 176.7 | 70.3 | 0 | 0 | 0 | 0 | 111.2 | G276 V277 L282 L283 M284 | G276-S280 PolarHBondContact O-N 2.89Å; V277-S280 WeakPolarHBondContact CA-OG 3.28Å; V277-S280 PolarHBondContact O-N 3.01Å; V277-S280 PolarHBondContact O-OG 2.97Å; S280-L282 PolarHBondContact O-N 3.07Å; S280-L283 PolarHBondContact O-N 3.41Å; S280-M284 WeakPolarHBondContact O-CG 3.4Å; S280-M284 PolarHBondContact O-N 3.24Å |
| 281 | A | 82 | Confident | 82.5 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L142 V277 I278 I279 M284 Q285 | L142-A281 HydrophobicContact CB-CB 4.44Å; V277-A281 VanDerWaalsContact O-CB 3.29Å; V277-A281 WeakPolarHBondContact O-CB 3.29Å; V277-A281 PolarHBondContact O-N 3.32Å; I278-A281 PolarHBondContact O-N 2.91Å; I279-A281 VanDerWaalsContact C-N 3.34Å; I279-A281 PolarHBondContact O-N 3Å; A281-M284 PolarHBondContact O-N 3.27Å; A281-Q285 WeakPolarHBondContact O-CG 3.5Å; A281-Q285 PolarHBondContact O-N 2.92Å |
| 282 | L | 84.8 | Confident | 82.5 | Confident | 77 Ų | 77 | 64.7 Ų | 64.7 | 40% | 0.403 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 176.5 | -70.1 | 174.9 | 0 | 0 | 0 | 112.5 | L142 I278 I279 S280 K286 | L142-L282 HydrophobicContact CD1-CD2 4.26Å; I278-L282 HydrophobicContact CG2-CD1 4.27Å; I278-L282 WeakPolarHBondContact O-CG 3.5Å; I278-L282 PolarHBondContact O-N 2.9Å; I279-L282 PolarHBondContact O-N 3.05Å; S280-L282 PolarHBondContact O-N 3.07Å; L282-K286 PolarHBondContact O-N 3.45Å; L282-K286 VanDerWaalsContact O-N 3.13Å |
| 283 | L | 84.6 | Confident | 82.6 | Confident | 62 Ų | 62 | 60.4 Ų | 60.4 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 175.5 | -72.5 | 174.8 | 0 | 0 | 0 | 111.7 | I279 S280 K286 Y287 A292 | I279-L283 HydrophobicContact CG2-CD1 4.08Å; I279-L283 HydrophobicContact CG2-CG 4.42Å; I279-L283 WeakPolarHBondContact O-CG 3.27Å; I279-L283 PolarHBondContact O-N 2.92Å; S280-L283 PolarHBondContact O-N 3.41Å; L283-K286 PolarHBondContact O-N 3.32Å; L283-Y287 HydrophobicContact CD2-CD2 3.73Å; L283-Y287 HydrophobicContact CD2-CE2 3.89Å; L283-Y287 WeakPolarHBondContact O-CB 3.36Å; L283-Y287 PolarHBondContact O-N 3.37Å; L283-A292 HydrophobicContact CB-CB 4.36Å |
| 284 | M | 80.4 | Confident | 82.7 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 174.2 | -73.8 | -176.2 | -72.4 | 0 | 0 | 111.4 | S280 A281 K286 D288 L289 M290 D293 | S280-M284 WeakPolarHBondContact O-CG 3.4Å; S280-M284 PolarHBondContact O-N 3.24Å; A281-M284 PolarHBondContact O-N 3.27Å; M284-K286 PolarHBondContact O-N 2.97Å; M284-D288 WeakPolarHBondContact O-CA 3.28Å; M284-D288 PolarHBondContact O-N 3.13Å; M284-D288 VanDerWaalsContact O-N 3.11Å; M284-L289 WeakPolarHBondContact CG-O 3.45Å; M284-M290 HydrophobicContact CB-CE 4.31Å; M284-M290 HydrophobicContact CG-CE 4.35Å; M284-D293 HydrophobicContact CE-CB 3.55Å; M284-D293 HydrophobicContact SD-CB 3.99Å |
| 285 | Q | 81.1 | Confident | 82.9 | Confident | 100 Ų | 100 | 63.4 Ų | 63.4 | 47% | 0.467 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.8 | -33.4 | 179.5 | -72.7 | 178.5 | 1.7 | 0 | 0 | 114.4 | A281 | A281-Q285 WeakPolarHBondContact O-CG 3.5Å; A281-Q285 PolarHBondContact O-N 2.92Å |
| 286 | K | 83 | Confident | 82.9 | Confident | 161 Ų | 161 | 61 Ų | 61 | 70% | 0.7 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -94.4 | -31.5 | -175.3 | -74.7 | -171.2 | 177.5 | -176.1 | 0 | 114.4 | L282 L283 M284 | L282-K286 PolarHBondContact O-N 3.45Å; L282-K286 VanDerWaalsContact O-N 3.13Å; L283-K286 PolarHBondContact O-N 3.32Å; M284-K286 PolarHBondContact O-N 2.97Å |
| 287 | Y | 81.8 | Confident | 82.9 | Confident | 157 Ų | 157 | 60.9 Ų | 60.9 | 62% | 0.616 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -125.2 | 4.1 | -169 | -60.1 | -82.2 | 0 | 0 | 0 | 113.4 | L283 L289 | L283-Y287 HydrophobicContact CD2-CD2 3.73Å; L283-Y287 HydrophobicContact CD2-CE2 3.89Å; L283-Y287 WeakPolarHBondContact O-CB 3.36Å; L283-Y287 PolarHBondContact O-N 3.37Å; Y287-L289 PolarHBondContact O-N 3.05Å; Y287-L289 VanDerWaalsContact O-N 3.09Å |
| 288 | D | 77 | Confident | 83.3 | Confident | 133 Ų | 133 | 61.8 Ų | 61.8 | 71% | 0.711 | 31% | 0.308 | S | S | * | . | trans | 53.1 | 26.6 | -176 | -67.9 | -47.1 | 0 | 0 | 0 | 113.8 | M284 M290 | M284-D288 WeakPolarHBondContact O-CA 3.28Å; M284-D288 PolarHBondContact O-N 3.13Å; M284-D288 VanDerWaalsContact O-N 3.11Å; D288-M290 VanDerWaalsContact C-N 3.33Å; D288-M290 PolarHBondContact O-N 3.16Å | ||
| 289 | L | 80.1 | Confident | 83.5 | Confident | 93 Ų | 93 | 65.3 Ų | 65.3 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | trans | -80.7 | 73.2 | -179.2 | -70.2 | 174.4 | 0 | 0 | 0 | 111.6 | M284 Y287 I291 A292 | M284-L289 WeakPolarHBondContact CG-O 3.45Å; Y287-L289 PolarHBondContact O-N 3.05Å; Y287-L289 VanDerWaalsContact O-N 3.09Å; L289-I291 PolarHBondContact O-N 3.49Å; L289-A292 HydrophobicContact CB-CB 4.42Å; L289-A292 VanDerWaalsContact O-CB 3.31Å; L289-A292 WeakPolarHBondContact O-CB 3.38Å; L289-A292 PolarHBondContact O-N 2.96Å | ||
| 290 | M | 76.8 | Confident | 83.4 | Confident | 75 Ų | 75 | 62.4 Ų | 62.4 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -23.7 | 179.4 | -58.4 | -81.6 | 92.7 | 0 | 0 | 114.2 | H138 M284 D288 A292 P294 | H138-M290 WeakPolarHBondContact CE1-CE 3.49Å; H138-M290 WeakPolarHBondContact NE2-CE 3.43Å; M284-M290 HydrophobicContact CB-CE 4.31Å; M284-M290 HydrophobicContact CG-CE 4.35Å; D288-M290 VanDerWaalsContact C-N 3.33Å; D288-M290 PolarHBondContact O-N 3.16Å; M290-A292 VanDerWaalsContact C-N 3.32Å; M290-P294 WeakPolarHBondContact O-CD 3.32Å |
| 291 | I | 82.8 | Confident | 83.6 | Confident | 102 Ų | 102 | 62.4 Ų | 62.4 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -13.1 | -177.2 | -55.5 | 170.1 | 0 | 0 | 0 | 112 | L289 D293 P294 I295 | L289-I291 PolarHBondContact O-N 3.49Å; I291-D293 PolarHBondContact O-N 3.12Å; I291-P294 WeakPolarHBondContact O-CD 2.92Å; I291-I295 HydrophobicContact CG2-CD1 3.66Å; I291-I295 HydrophobicContact CG2-CG1 3.93Å; I291-I295 WeakPolarHBondContact O-CG1 2.82Å; I291-I295 PolarHBondContact O-N 3.34Å |
| 292 | A | 83.4 | Confident | 84 | Confident | 19 Ų | 19 | 67.4 Ų | 67.4 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.3 | -39.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L283 L289 M290 C296 | L283-A292 HydrophobicContact CB-CB 4.36Å; L289-A292 HydrophobicContact CB-CB 4.42Å; L289-A292 VanDerWaalsContact O-CB 3.31Å; L289-A292 WeakPolarHBondContact O-CB 3.38Å; L289-A292 PolarHBondContact O-N 2.96Å; M290-A292 VanDerWaalsContact C-N 3.32Å; A292-C296 WeakPolarHBondContact O-CB 3.29Å; A292-C296 PolarHBondContact O-N 3.43Å |
| 293 | D | 82.8 | Confident | 84 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.6 | -48 | 179.5 | 178.6 | 78 | 0 | 0 | 0 | 113.7 | R129 M284 I291 I295 C296 S297 | R129-D293 IonicContact NH1-OD2 3.5Å; M284-D293 HydrophobicContact CE-CB 3.55Å; M284-D293 HydrophobicContact SD-CB 3.99Å; I291-D293 PolarHBondContact O-N 3.12Å; D293-I295 VanDerWaalsContact C-N 3.33Å; D293-I295 PolarHBondContact O-N 3Å; D293-C296 PolarHBondContact O-N 3.34Å; D293-S297 PolarHBondContact O-N 2.92Å; D293-S297 PolarHBondContact O-OG 3.43Å; D293-S297 VanDerWaalsContact O-OG 3.08Å |
| 294 | P | 85.6 | Confident | 84 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -53.2 | -45.3 | 170.9 | -29.8 | 33 | 0 | 0 | 0 | 114 | G126 R129 A130 M290 I291 C296 S297 M298 | G126-P294 WeakPolarHBondContact O-CB 3.5Å; R129-P294 HydrophobicContact CB-CB 4.44Å; R129-P294 HydrophobicContact CB-CG 3.84Å; A130-P294 HydrophobicContact CB-CB 3.8Å; A130-P294 HydrophobicContact CB-CG 4.39Å; M290-P294 WeakPolarHBondContact O-CD 3.32Å; I291-P294 WeakPolarHBondContact O-CD 2.92Å; P294-C296 PolarHBondContact O-N 2.85Å; P294-S297 PolarHBondContact O-N 3.43Å; P294-M298 WeakPolarHBondContact O-CE 2.93Å; P294-M298 WeakPolarHBondContact O-CG 3.3Å; P294-M298 PolarHBondContact O-N 3.35Å |
| 295 | I | 88.6 | Confident | 84.3 | Confident | 85 Ų | 85 | 68 Ų | 68 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 178.5 | -69.2 | 173.1 | 0 | 0 | 0 | 110.6 | I291 D293 M298 L299 | I291-I295 HydrophobicContact CG2-CD1 3.66Å; I291-I295 HydrophobicContact CG2-CG1 3.93Å; I291-I295 WeakPolarHBondContact O-CG1 2.82Å; I291-I295 PolarHBondContact O-N 3.34Å; D293-I295 VanDerWaalsContact C-N 3.33Å; D293-I295 PolarHBondContact O-N 3Å; I295-M298 HydrophobicContact CG1-CE 4.34Å; I295-M298 PolarHBondContact O-N 3.01Å; I295-L299 HydrophobicContact CG2-CD1 4.05Å; I295-L299 HydrophobicContact CG2-CG 4.48Å; I295-L299 WeakPolarHBondContact O-CG 3.04Å; I295-L299 PolarHBondContact O-N 2.81Å |
| 296 | C | 85.5 | Confident | 84.7 | Confident | 20 Ų | 20 | 67.9 Ų | 67.9 | 14% | 0.135 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 179.2 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | G276 A292 D293 P294 M298 L299 I300 | G276-C296 WeakPolarHBondContact CA-SG 3.47Å; A292-C296 WeakPolarHBondContact O-CB 3.29Å; A292-C296 PolarHBondContact O-N 3.43Å; D293-C296 PolarHBondContact O-N 3.34Å; P294-C296 PolarHBondContact O-N 2.85Å; C296-M298 PolarHBondContact O-N 3.44Å; C296-L299 PolarHBondContact O-N 2.98Å; C296-I300 WeakPolarHBondContact O-CD1 3.42Å; C296-I300 VanDerWaalsContact O-CG1 3.32Å; C296-I300 WeakPolarHBondContact O-CG1 3.36Å; C296-I300 PolarHBondContact O-N 2.93Å |
| 297 | S | 84.2 | Confident | 84.7 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 178.5 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | D293 P294 L299 I300 A301 | D293-S297 PolarHBondContact O-N 2.92Å; D293-S297 PolarHBondContact O-OG 3.43Å; D293-S297 VanDerWaalsContact O-OG 3.08Å; P294-S297 PolarHBondContact O-N 3.43Å; S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 3.3Å; S297-I300 PolarHBondContact O-N 3.08Å; S297-A301 WeakPolarHBondContact O-CB 3.41Å; S297-A301 PolarHBondContact O-N 3.44Å |
| 298 | M | 89.3 | Confident | 84.9 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 22% | 0.222 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -38 | 175.8 | -73.1 | -174.4 | -71.5 | 0 | 0 | 112.6 | F123 V127 P294 I295 C296 L302 | F123-M298 HydrophobicContact CD2-CB 4.1Å; F123-M298 HydrophobicContact CD2-CG 4.04Å; F123-M298 HydrophobicContact CE2-CB 4.08Å; F123-M298 HydrophobicContact CE2-CG 4.04Å; F123-M298 HydrophobicContact CE2-SD 4.27Å; F123-M298 HydrophobicContact CZ-SD 4.49Å; V127-M298 HydrophobicContact CG2-SD 3.78Å; P294-M298 WeakPolarHBondContact O-CE 2.93Å; P294-M298 WeakPolarHBondContact O-CG 3.3Å; P294-M298 PolarHBondContact O-N 3.35Å; I295-M298 HydrophobicContact CG1-CE 4.34Å; I295-M298 PolarHBondContact O-N 3.01Å; C296-M298 PolarHBondContact O-N 3.44Å; M298-L302 WeakPolarHBondContact O-CB 3.22Å; M298-L302 PolarHBondContact O-N 3.13Å |
| 299 | L | 89.4 | Confident | 85.4 | Confident | 101 Ų | 101 | 52.7 Ų | 52.7 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 176.1 | -75 | 173.6 | 0 | 0 | 0 | 111.7 | I295 C296 S297 L302 L303 | I295-L299 HydrophobicContact CG2-CD1 4.05Å; I295-L299 HydrophobicContact CG2-CG 4.48Å; I295-L299 WeakPolarHBondContact O-CG 3.04Å; I295-L299 PolarHBondContact O-N 2.81Å; C296-L299 PolarHBondContact O-N 2.98Å; S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 3.3Å; L299-L302 PolarHBondContact O-N 2.85Å; L299-L303 VanDerWaalsContact O-CG 3.32Å; L299-L303 WeakPolarHBondContact O-CG 3.45Å; L299-L303 PolarHBondContact O-N 3.05Å |
| 300 | I | 84.8 | Confident | 85.6 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 176.6 | -65.9 | 158.6 | 0 | 0 | 0 | 110 | G273 C296 S297 L302 L303 I304 | G273-I300 VanDerWaalsContact CA-CD1 3.45Å; C296-I300 WeakPolarHBondContact O-CD1 3.42Å; C296-I300 VanDerWaalsContact O-CG1 3.32Å; C296-I300 WeakPolarHBondContact O-CG1 3.36Å; C296-I300 PolarHBondContact O-N 2.93Å; S297-I300 PolarHBondContact O-N 3.08Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 3.36Å; I300-L303 PolarHBondContact O-N 2.81Å; I300-L303 VanDerWaalsContact O-N 3.16Å; I300-I304 HydrophobicContact CG2-CD1 3.87Å; I300-I304 HydrophobicContact CG2-CG1 4.43Å; I300-I304 WeakPolarHBondContact O-CG1 3.36Å; I300-I304 PolarHBondContact O-N 2.7Å |
| 301 | A | 87.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A119 I122 F123 S297 I304 G305 | A119-A301 WeakPolarHBondContact O-CB 3.31Å; I122-A301 HydrophobicContact CB-CB 4.12Å; I122-A301 HydrophobicContact CG2-CB 3.96Å; F123-A301 HydrophobicContact CB-CB 3.81Å; F123-A301 HydrophobicContact CD2-CB 4.41Å; S297-A301 WeakPolarHBondContact O-CB 3.41Å; S297-A301 PolarHBondContact O-N 3.44Å; A301-I304 PolarHBondContact O-N 3.46Å; A301-G305 PolarHBondContact O-N 2.93Å |
| 302 | L | 90.4 | Very high | 86.1 | Confident | 107 Ų | 107 | 47.6 Ų | 47.6 | 56% | 0.56 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 176.6 | -175.8 | 67.4 | 0 | 0 | 0 | 111.8 | M298 L299 I300 G305 V306 | M298-L302 WeakPolarHBondContact O-CB 3.22Å; M298-L302 PolarHBondContact O-N 3.13Å; L299-L302 PolarHBondContact O-N 2.85Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 3.36Å; L302-G305 PolarHBondContact O-N 2.95Å; L302-V306 WeakPolarHBondContact O-CG2 3.44Å; L302-V306 PolarHBondContact O-N 2.92Å |
| 303 | L | 86.1 | Confident | 86.3 | Confident | 122 Ų | 122 | 53.4 Ų | 53.4 | 64% | 0.639 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 177 | -73.2 | 172.1 | 0 | 0 | 0 | 111.5 | L299 I300 V306 S307 | L299-L303 VanDerWaalsContact O-CG 3.32Å; L299-L303 WeakPolarHBondContact O-CG 3.45Å; L299-L303 PolarHBondContact O-N 3.05Å; I300-L303 PolarHBondContact O-N 2.81Å; I300-L303 VanDerWaalsContact O-N 3.16Å; L303-V306 PolarHBondContact O-N 3.36Å; L303-S307 WeakPolarHBondContact O-CB 3.44Å; L303-S307 PolarHBondContact O-N 3.4Å; L303-S307 PolarHBondContact O-OG 3.43Å |
| 304 | I | 83.6 | Confident | 86.4 | Confident | 18 Ų | 18 | 57 Ų | 57 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.8 | -51.7 | 174.3 | -65.2 | 167.7 | 0 | 0 | 0 | 109.3 | L115 A119 I122 I300 A301 V306 S307 V308 | L115-I304 HydrophobicContact CB-CG2 4.46Å; A119-I304 HydrophobicContact CB-CB 4.22Å; A119-I304 HydrophobicContact CB-CG2 3.97Å; I122-I304 HydrophobicContact CD1-CD1 4.46Å; I300-I304 HydrophobicContact CG2-CD1 3.87Å; I300-I304 HydrophobicContact CG2-CG1 4.43Å; I300-I304 WeakPolarHBondContact O-CG1 3.36Å; I300-I304 PolarHBondContact O-N 2.7Å; A301-I304 PolarHBondContact O-N 3.46Å; I304-V306 PolarHBondContact O-N 3.1Å; I304-S307 PolarHBondContact O-N 3.33Å; I304-S307 VanDerWaalsContact O-N 3.1Å; I304-S307 PolarHBondContact O-OG 3.5Å; I304-V308 HydrophobicContact CG2-CG2 4.34Å; I304-V308 VanDerWaalsContact O-CG2 3.27Å; I304-V308 WeakPolarHBondContact O-CG2 3.32Å; I304-V308 PolarHBondContact O-N 2.91Å; I304-V308 VanDerWaalsContact O-N 3.13Å |
| 305 | G | 87.4 | Confident | 86.4 | Confident | 23 Ų | 23 | 57.6 Ų | 57.6 | 24% | 0.237 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.7 | -47.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A301 L302 S307 V308 | A301-G305 PolarHBondContact O-N 2.93Å; L302-G305 PolarHBondContact O-N 2.95Å; G305-S307 PolarHBondContact O-N 2.96Å; G305-V308 PolarHBondContact O-N 2.97Å |
| 306 | V | 89.4 | Confident | 86.6 | Confident | 97 Ų | 97 | 56.9 Ų | 56.9 | 59% | 0.588 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.7 | -39.5 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | L302 L303 I304 V308 P310 | L302-V306 WeakPolarHBondContact O-CG2 3.44Å; L302-V306 PolarHBondContact O-N 2.92Å; L303-V306 PolarHBondContact O-N 3.36Å; I304-V306 PolarHBondContact O-N 3.1Å; V306-V308 VanDerWaalsContact C-N 3.27Å; V306-V308 PolarHBondContact O-N 3.3Å; V306-P310 VanDerWaalsContact O-CD 3.26Å; V306-P310 WeakPolarHBondContact O-CD 3.36Å |
| 307 | S | 82.8 | Confident | 86.8 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 31% | 0.308 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.5 | -27.5 | -179.4 | 76.4 | 0 | 0 | 0 | 0 | 113.6 | L303 I304 G305 P310 | L303-S307 WeakPolarHBondContact O-CB 3.44Å; L303-S307 PolarHBondContact O-N 3.4Å; L303-S307 PolarHBondContact O-OG 3.43Å; I304-S307 PolarHBondContact O-N 3.33Å; I304-S307 VanDerWaalsContact O-N 3.1Å; I304-S307 PolarHBondContact O-OG 3.5Å; G305-S307 PolarHBondContact O-N 2.96Å; S307-P310 VanDerWaalsContact O-CD 3.31Å; S307-P310 WeakPolarHBondContact O-CD 3.33Å; S307-P310 VanDerWaalsContact O-CG 3.27Å; S307-P310 WeakPolarHBondContact O-CG 3.27Å |
| 308 | V | 85.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -83.4 | -27.8 | -176.6 | 174.9 | 0 | 0 | 0 | 0 | 112.7 | G112 L115 I116 I304 G305 V306 L311 L312 | G112-V308 VanDerWaalsContact O-CG1 3.31Å; G112-V308 WeakPolarHBondContact O-CG1 3.24Å; L115-V308 HydrophobicContact CB-CG1 4.41Å; L115-V308 HydrophobicContact CB-CG2 3.51Å; L115-V308 HydrophobicContact CD1-CG2 3.75Å; L115-V308 HydrophobicContact CG-CG2 4.27Å; I116-V308 HydrophobicContact CD1-CG1 4.32Å; I116-V308 HydrophobicContact CG1-CB 4.45Å; I116-V308 HydrophobicContact CG1-CG1 3.87Å; I304-V308 HydrophobicContact CG2-CG2 4.34Å; I304-V308 VanDerWaalsContact O-CG2 3.27Å; I304-V308 WeakPolarHBondContact O-CG2 3.32Å; I304-V308 PolarHBondContact O-N 2.91Å; I304-V308 VanDerWaalsContact O-N 3.13Å; G305-V308 PolarHBondContact O-N 2.97Å; V306-V308 VanDerWaalsContact C-N 3.27Å; V306-V308 PolarHBondContact O-N 3.3Å; V308-L311 WeakPolarHBondContact O-CB 3.27Å; V308-L311 PolarHBondContact O-N 3.37Å; V308-L311 VanDerWaalsContact O-N 3.13Å; V308-L312 HydrophobicContact CG1-CD1 3.82Å; V308-L312 HydrophobicContact CG1-CG 3.88Å; V308-L312 PolarHBondContact O-N 3.12Å |
| 309 | V | 88.6 | Confident | 86.9 | Confident | 88 Ų | 88 | 57.4 Ų | 57.4 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -51.3 | -51 | 178.1 | 173.6 | 0 | 0 | 0 | 0 | 113.3 | L311 L312 K313 | V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 2.71Å; V309-L312 PolarHBondContact O-N 2.93Å; V309-K313 WeakPolarHBondContact O-CB 3.24Å; V309-K313 PolarHBondContact O-N 3.25Å |
| 310 | P | 84.5 | Confident | 87.1 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 49% | 0.494 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 178.2 | 23.7 | -33.7 | 0 | 0 | 0 | 112.4 | V306 S307 L312 K313 E314 | V306-P310 VanDerWaalsContact O-CD 3.26Å; V306-P310 WeakPolarHBondContact O-CD 3.36Å; S307-P310 VanDerWaalsContact O-CD 3.31Å; S307-P310 WeakPolarHBondContact O-CD 3.33Å; S307-P310 VanDerWaalsContact O-CG 3.27Å; S307-P310 WeakPolarHBondContact O-CG 3.27Å; P310-L312 PolarHBondContact O-N 2.93Å; P310-K313 PolarHBondContact O-N 3.47Å; P310-E314 WeakPolarHBondContact O-CB 3.15Å; P310-E314 PolarHBondContact O-N 2.99Å |
| 311 | L | 81.3 | Confident | 87.3 | Confident | 69 Ų | 69 | 62.1 Ų | 62.1 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 178.6 | -65.6 | 172.8 | 0 | 0 | 0 | 112 | V308 V309 S315 | V308-L311 WeakPolarHBondContact O-CB 3.27Å; V308-L311 PolarHBondContact O-N 3.37Å; V308-L311 VanDerWaalsContact O-N 3.13Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 2.71Å; L311-S315 WeakPolarHBondContact O-CB 3.39Å; L311-S315 PolarHBondContact O-N 3.38Å; L311-S315 PolarHBondContact O-OG 3.22Å |
| 312 | L | 87.3 | Confident | 87.4 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 175.9 | -76.9 | 177.9 | 0 | 0 | 0 | 111.9 | F109 L113 I116 V308 V309 P310 E314 S315 I316 | F109-L312 HydrophobicContact CD2-CD2 3.66Å; F109-L312 HydrophobicContact CE2-CD2 3.91Å; L113-L312 HydrophobicContact CD2-CD2 4.47Å; I116-L312 HydrophobicContact CD1-CD1 3.26Å; I116-L312 HydrophobicContact CG1-CD1 4.17Å; V308-L312 HydrophobicContact CG1-CD1 3.82Å; V308-L312 HydrophobicContact CG1-CG 3.88Å; V308-L312 PolarHBondContact O-N 3.12Å; V309-L312 PolarHBondContact O-N 2.93Å; P310-L312 PolarHBondContact O-N 2.93Å; L312-E314 VanDerWaalsContact C-N 3.28Å; L312-E314 PolarHBondContact O-N 3.37Å; L312-S315 PolarHBondContact O-N 3.33Å; L312-I316 HydrophobicContact CB-CD1 4.43Å; L312-I316 VanDerWaalsContact O-CB 3.28Å; L312-I316 WeakPolarHBondContact O-CB 3.23Å; L312-I316 WeakPolarHBondContact O-CD1 3.12Å; L312-I316 WeakPolarHBondContact O-CG1 3.27Å; L312-I316 PolarHBondContact O-N 3Å |
| 313 | K | 88.7 | Confident | 87.3 | Confident | 141 Ų | 141 | 66.1 Ų | 66.1 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.8 | -40.7 | 178.7 | -176.7 | 180 | 176.9 | -178.2 | 0 | 111.7 | V309 P310 G317 | V309-K313 WeakPolarHBondContact O-CB 3.24Å; V309-K313 PolarHBondContact O-N 3.25Å; P310-K313 PolarHBondContact O-N 3.47Å; K313-G317 PolarHBondContact O-N 3.08Å |
| 314 | E | 84.3 | Confident | 87.3 | Confident | 92 Ų | 92 | 60.3 Ų | 60.3 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.7 | -50 | 176.2 | -170.6 | 178.4 | 168.7 | 0 | 0 | 111.4 | Q258 P310 L312 I316 G317 I318 | Q258-E314 PolarHBondContact NE2-OE1 3.4Å; P310-E314 WeakPolarHBondContact O-CB 3.15Å; P310-E314 PolarHBondContact O-N 2.99Å; L312-E314 VanDerWaalsContact C-N 3.28Å; L312-E314 PolarHBondContact O-N 3.37Å; E314-I316 PolarHBondContact O-N 3.39Å; E314-G317 WeakPolarHBondContact O-CA 3.38Å; E314-G317 PolarHBondContact O-N 3.04Å; E314-G317 VanDerWaalsContact O-N 3.08Å; E314-I318 HydrophobicContact CG-CD1 4.27Å; E314-I318 WeakPolarHBondContact O-CG1 3.19Å; E314-I318 PolarHBondContact O-N 3.02Å |
| 315 | S | 86.4 | Confident | 87.3 | Confident | 16 Ų | 16 | 63.6 Ų | 63.6 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | -179.7 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | L311 L312 G317 I318 L319 | L311-S315 WeakPolarHBondContact O-CB 3.39Å; L311-S315 PolarHBondContact O-N 3.38Å; L311-S315 PolarHBondContact O-OG 3.22Å; L312-S315 PolarHBondContact O-N 3.33Å; S315-G317 VanDerWaalsContact C-N 3.32Å; S315-G317 PolarHBondContact O-N 3.07Å; S315-I318 PolarHBondContact O-N 3.41Å; S315-L319 WeakPolarHBondContact O-CB 3.26Å; S315-L319 VanDerWaalsContact O-CG 3.28Å; S315-L319 WeakPolarHBondContact O-CG 3.42Å; S315-L319 PolarHBondContact O-N 2.99Å |
| 316 | I | 91.3 | Very high | 87.1 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 36% | 0.359 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 174 | -68.3 | 165.2 | 0 | 0 | 0 | 110 | F109 L312 E314 I318 L319 M320 | F109-I316 HydrophobicContact CD2-CG1 3.94Å; F109-I316 HydrophobicContact CE2-CD1 4.02Å; F109-I316 HydrophobicContact CE2-CG1 3.57Å; L312-I316 HydrophobicContact CB-CD1 4.43Å; L312-I316 VanDerWaalsContact O-CB 3.28Å; L312-I316 WeakPolarHBondContact O-CB 3.23Å; L312-I316 WeakPolarHBondContact O-CD1 3.12Å; L312-I316 WeakPolarHBondContact O-CG1 3.27Å; L312-I316 PolarHBondContact O-N 3Å; E314-I316 PolarHBondContact O-N 3.39Å; I316-I318 VanDerWaalsContact C-N 3.33Å; I316-I318 PolarHBondContact O-N 3.15Å; I316-L319 PolarHBondContact O-N 3.46Å; I316-M320 HydrophobicContact CG2-CG 4.04Å; I316-M320 HydrophobicContact CG2-SD 3.68Å; I316-M320 VanDerWaalsContact O-CB 3.27Å; I316-M320 WeakPolarHBondContact O-CB 3.37Å; I316-M320 VanDerWaalsContact O-CG 3.26Å; I316-M320 WeakPolarHBondContact O-CG 3.37Å; I316-M320 PolarHBondContact O-N 3.38Å |
| 317 | G | 89.8 | Confident | 86.9 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 13% | 0.134 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K313 E314 S315 M320 Q321 R322 | K313-G317 PolarHBondContact O-N 3.08Å; E314-G317 WeakPolarHBondContact O-CA 3.38Å; E314-G317 PolarHBondContact O-N 3.04Å; E314-G317 VanDerWaalsContact O-N 3.08Å; S315-G317 VanDerWaalsContact C-N 3.32Å; S315-G317 PolarHBondContact O-N 3.07Å; G317-M320 PolarHBondContact O-N 2.87Å; G317-Q321 PolarHBondContact O-N 2.91Å; G317-R322 WeakPolarHBondContact O-CB 3.08Å; G317-R322 PolarHBondContact O-N 2.67Å |
| 318 | I | 87.4 | Confident | 87.1 | Confident | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 177.9 | -61.7 | 165.1 | 0 | 0 | 0 | 110.8 | V105 E314 S315 I316 M320 Q321 T354 | V105-I318 HydrophobicContact CB-CG2 4.47Å; V105-I318 HydrophobicContact CG1-CB 3.89Å; V105-I318 HydrophobicContact CG1-CD1 4.25Å; V105-I318 HydrophobicContact CG1-CG2 3.88Å; V105-I318 HydrophobicContact CG2-CD1 4.31Å; V105-I318 HydrophobicContact CG2-CG2 3.97Å; E314-I318 HydrophobicContact CG-CD1 4.27Å; E314-I318 WeakPolarHBondContact O-CG1 3.19Å; E314-I318 PolarHBondContact O-N 3.02Å; S315-I318 PolarHBondContact O-N 3.41Å; I316-I318 VanDerWaalsContact C-N 3.33Å; I316-I318 PolarHBondContact O-N 3.15Å; I318-M320 VanDerWaalsContact C-N 3.3Å; I318-M320 PolarHBondContact O-N 3.24Å; I318-Q321 PolarHBondContact O-N 3.08Å; I318-T354 HydrophobicContact CG1-CG2 4.03Å; I318-T354 HydrophobicContact CG2-CG2 4.26Å |
| 319 | L | 89.1 | Confident | 87.3 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.6 | -33.4 | 178.5 | -69 | 174.7 | 0 | 0 | 0 | 112.7 | V105 F109 S315 I316 Q321 | V105-L319 HydrophobicContact CG1-CD2 4.21Å; V105-L319 HydrophobicContact CG1-CG 4.07Å; F109-L319 HydrophobicContact CB-CD1 4.13Å; F109-L319 HydrophobicContact CD1-CD1 4.31Å; F109-L319 HydrophobicContact CD2-CD1 4.47Å; F109-L319 HydrophobicContact CG-CD1 4.04Å; S315-L319 WeakPolarHBondContact O-CB 3.26Å; S315-L319 VanDerWaalsContact O-CG 3.28Å; S315-L319 WeakPolarHBondContact O-CG 3.42Å; S315-L319 PolarHBondContact O-N 2.99Å; I316-L319 PolarHBondContact O-N 3.46Å; L319-Q321 PolarHBondContact O-N 3.15Å |
| 320 | M | 92.6 | Very high | 87.4 | Confident | 146 Ų | 146 | 67.8 Ų | 67.8 | 72% | 0.719 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 5.1 | 173.8 | -70.9 | -171.3 | 72.1 | 0 | 0 | 113.7 | I316 G317 I318 R322 | I316-M320 HydrophobicContact CG2-CG 4.04Å; I316-M320 HydrophobicContact CG2-SD 3.68Å; I316-M320 VanDerWaalsContact O-CB 3.27Å; I316-M320 WeakPolarHBondContact O-CB 3.37Å; I316-M320 VanDerWaalsContact O-CG 3.26Å; I316-M320 WeakPolarHBondContact O-CG 3.37Å; I316-M320 PolarHBondContact O-N 3.38Å; G317-M320 PolarHBondContact O-N 2.87Å; I318-M320 VanDerWaalsContact C-N 3.3Å; I318-M320 PolarHBondContact O-N 3.24Å; M320-R322 PolarHBondContact O-N 3.39Å |
| 321 | Q | 90.4 | Very high | 87.7 | Confident | 87 Ų | 87 | 64.5 Ų | 64.5 | 41% | 0.407 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 36.6 | -179.6 | -58.4 | 180 | 81.5 | 0 | 0 | 112.6 | G317 I318 L319 W353 | G317-Q321 PolarHBondContact O-N 2.91Å; I318-Q321 PolarHBondContact O-N 3.08Å; L319-Q321 PolarHBondContact O-N 3.15Å; Q321-W353 HydrophobicContact CB-CB 3.92Å; Q321-W353 HydrophobicContact CB-CG 4.44Å |
| 322 | R | 88.9 | Confident | 88.3 | Confident | 138 Ų | 138 | 64.5 Ų | 64.5 | 52% | 0.521 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 142.4 | 177.5 | -172 | -173.9 | 171.4 | 165.9 | 0.3 | 110.5 | G317 M320 | G317-R322 WeakPolarHBondContact O-CB 3.08Å; G317-R322 PolarHBondContact O-N 2.67Å; M320-R322 PolarHBondContact O-N 3.39Å |
| 323 | T | 89.3 | Confident | 88.6 | Confident | 55 Ų | 55 | 68.3 Ų | 68.3 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 127 | 167.3 | -48.2 | 0 | 0 | 0 | 0 | 109.9 | L331 F352 | T323-L331 HydrophobicContact CG2-CD1 3.87Å; T323-F352 WeakPolarHBondContact CA-O 3.36Å; T323-F352 HydrophobicContact CG2-CB 4.41Å |
| 324 | P | 84.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 126.9 | -179.1 | 20.1 | -30.6 | 0 | 0 | 0 | 111 | S326 L327 D328 T354 Y360 | P324-S326 PolarHBondContact O-N 2.81Å; P324-L327 HydrophobicContact CB-CD1 4.49Å; P324-L327 HydrophobicContact CB-CG 4.19Å; P324-L327 HydrophobicContact CG-CB 3.91Å; P324-L327 HydrophobicContact CG-CD1 3.45Å; P324-L327 VanDerWaalsContact CG-CD1 3.45Å; P324-L327 HydrophobicContact CG-CG 3.59Å; P324-L327 PolarHBondContact O-N 3.35Å; P324-D328 PolarHBondContact O-N 3.01Å; P324-T354 WeakPolarHBondContact CB-OG1 3.18Å; P324-Y360 HydrophobicContact CB-CD1 3.59Å; P324-Y360 HydrophobicContact CB-CE1 3.51Å; P324-Y360 HydrophobicContact CB-CG 4.29Å; P324-Y360 HydrophobicContact CG-CD1 3.71Å; P324-Y360 HydrophobicContact CG-CE1 4.15Å; P324-Y360 HydrophobicContact CG-CG 4.03Å |
| 325 | P | 83.3 | Confident | 89.4 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.8 | -28.3 | -178.5 | -23.5 | 32.4 | 0 | 0 | 0 | 113.7 | L327 D328 | P325-L327 VanDerWaalsContact C-N 3.33Å; P325-D328 PolarHBondContact O-N 3.14Å |
| 326 | S | 83.1 | Confident | 89.7 | Confident | 69 Ų | 69 | 64.6 Ų | 64.6 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.9 | -33.8 | 176.2 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | P324 Y360 | P324-S326 PolarHBondContact O-N 2.81Å; S326-Y360 PolarHBondContact OG-OH 3.3Å |
| 327 | L | 85.8 | Confident | 89.8 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -86.4 | -19.6 | 179.3 | -57.2 | -171.8 | 0 | 0 | 0 | 112.4 | P324 P325 N329 A330 L331 Y360 V388 V390 | P324-L327 HydrophobicContact CB-CD1 4.49Å; P324-L327 HydrophobicContact CB-CG 4.19Å; P324-L327 HydrophobicContact CG-CB 3.91Å; P324-L327 HydrophobicContact CG-CD1 3.45Å; P324-L327 VanDerWaalsContact CG-CD1 3.45Å; P324-L327 HydrophobicContact CG-CG 3.59Å; P324-L327 PolarHBondContact O-N 3.35Å; P325-L327 VanDerWaalsContact C-N 3.33Å; L327-N329 PolarHBondContact O-N 3.03Å; L327-N329 VanDerWaalsContact O-N 3.11Å; L327-A330 PolarHBondContact O-N 2.94Å; L327-L331 HydrophobicContact CB-CD1 4.02Å; L327-L331 HydrophobicContact CB-CD2 4.49Å; L327-L331 HydrophobicContact CB-CG 3.92Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 VanDerWaalsContact O-CG 3.23Å; L327-L331 WeakPolarHBondContact O-CG 3.46Å; L327-L331 PolarHBondContact O-N 3.38Å; L327-Y360 HydrophobicContact CD1-CD2 3.85Å; L327-Y360 HydrophobicContact CD1-CG 3.91Å; L327-Y360 HydrophobicContact CD2-CD2 4.06Å; L327-Y360 HydrophobicContact CD2-CE2 4.27Å; L327-Y360 HydrophobicContact CG-CD2 4.02Å; L327-Y360 HydrophobicContact CG-CE2 4.32Å; L327-Y360 HydrophobicContact CG-CG 4.4Å; L327-V388 HydrophobicContact CD2-CB 4.32Å; L327-V388 HydrophobicContact CD2-CG1 3.54Å; L327-V388 WeakPolarHBondContact CD2-O 3.29Å; L327-V390 HydrophobicContact CD1-CG2 3.78Å |
| 328 | D | 87.6 | Confident | 90.1 | Very high | 101 Ų | 101 | 65.1 Ų | 65.1 | 54% | 0.54 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.7 | -37.8 | -172.3 | -155.1 | 32.1 | 0 | 0 | 0 | 112.8 | P324 P325 P332 | P324-D328 PolarHBondContact O-N 3.01Å; P325-D328 PolarHBondContact O-N 3.14Å; D328-P332 VanDerWaalsContact O-CD 3.3Å; D328-P332 WeakPolarHBondContact O-CD 3.29Å |
| 329 | N | 88.5 | Confident | 90.4 | Very high | 144 Ų | 144 | 69 Ų | 69 | 77% | 0.77 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -26 | 177.3 | -63.2 | -47.7 | 0 | 0 | 0 | 114 | L327 | L327-N329 PolarHBondContact O-N 3.03Å; L327-N329 VanDerWaalsContact O-N 3.11Å |
| 330 | A | 90.7 | Very high | 90.7 | Very high | 23 Ų | 23 | 73.5 Ų | 73.5 | 19% | 0.19 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -23.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | L327 E333 C334 V388 | L327-A330 PolarHBondContact O-N 2.94Å; A330-E333 PolarHBondContact O-N 3.42Å; A330-C334 PolarHBondContact O-N 2.83Å; A330-C334 VanDerWaalsContact O-N 3.11Å; A330-C334 PolarHBondContact O-SG 3.16Å; A330-V388 HydrophobicContact CB-CG1 3.36Å |
| 331 | L | 92.3 | Very high | 90.7 | Very high | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.4 | -44.3 | 177.4 | -77 | 171.7 | 0 | 0 | 0 | 113.1 | T323 L327 E333 C334 Y335 F352 F385 | T323-L331 HydrophobicContact CG2-CD1 3.87Å; L327-L331 HydrophobicContact CB-CD1 4.02Å; L327-L331 HydrophobicContact CB-CD2 4.49Å; L327-L331 HydrophobicContact CB-CG 3.92Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 VanDerWaalsContact O-CG 3.23Å; L327-L331 WeakPolarHBondContact O-CG 3.46Å; L327-L331 PolarHBondContact O-N 3.38Å; L331-E333 VanDerWaalsContact C-N 3.3Å; L331-E333 PolarHBondContact O-N 3.28Å; L331-C334 WeakPolarHBondContact O-CB 3.35Å; L331-C334 PolarHBondContact O-N 3.41Å; L331-C334 VanDerWaalsContact O-N 3.13Å; L331-Y335 HydrophobicContact CB-CE1 4.43Å; L331-Y335 HydrophobicContact CB-CE2 3.85Å; L331-Y335 HydrophobicContact CD2-CE1 4.17Å; L331-Y335 WeakPolarHBondContact O-CD1 3.44Å; L331-Y335 WeakPolarHBondContact O-CD2 3.39Å; L331-Y335 PolarHBondContact O-N 3.35Å; L331-F352 HydrophobicContact CD1-CB 4.42Å; L331-F352 HydrophobicContact CD1-CD2 4.08Å; L331-F352 HydrophobicContact CD1-CG 4.29Å; L331-F352 HydrophobicContact CD2-CD1 4.1Å; L331-F352 HydrophobicContact CD2-CD2 3.73Å; L331-F352 HydrophobicContact CD2-CE1 4.02Å; L331-F352 HydrophobicContact CD2-CE2 3.67Å; L331-F352 HydrophobicContact CD2-CG 3.96Å; L331-F352 HydrophobicContact CD2-CZ 3.82Å; L331-F385 HydrophobicContact CD2-CD1 4.4Å; L331-F385 HydrophobicContact CD2-CE1 3.93Å |
| 332 | P | 93.3 | Very high | 90.7 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.5 | -40.9 | 177.4 | -26 | 35.6 | 0 | 0 | 0 | 113.3 | D328 Y335 Q336 | D328-P332 VanDerWaalsContact O-CD 3.3Å; D328-P332 WeakPolarHBondContact O-CD 3.29Å; P332-Y335 PolarHBondContact O-N 3.3Å; P332-Q336 WeakPolarHBondContact O-CG 3.24Å; P332-Q336 PolarHBondContact O-N 3.01Å; P332-Q336 VanDerWaalsContact O-N 3.08Å |
| 333 | E | 93.8 | Very high | 90.7 | Very high | 99 Ų | 99 | 66 Ų | 66 | 46% | 0.463 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 177.2 | -170.3 | -179.9 | -175.8 | 0 | 0 | 111.4 | A330 L331 Y335 Q336 R337 | A330-E333 PolarHBondContact O-N 3.42Å; L331-E333 VanDerWaalsContact C-N 3.3Å; L331-E333 PolarHBondContact O-N 3.28Å; E333-Y335 PolarHBondContact O-N 3.3Å; E333-Q336 PolarHBondContact O-N 3.44Å; E333-R337 VanDerWaalsContact CD-NH2 3.32Å; E333-R337 WeakPolarHBondContact O-CG 3.45Å; E333-R337 PolarHBondContact O-N 2.89Å; E333-R337 IonicContact OE1-CZ 3.37Å; E333-R337 IonicContact OE1-NE 3.54Å; E333-R337 IonicContact OE1-NH2 2.63Å; E333-R337 PolarHBondContact OE1-NH2 2.88Å; E333-R337 IonicContact OE2-NH2 3.88Å |
| 334 | C | 93.7 | Very high | 91 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.014 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 174.5 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | A330 L331 Q336 R337 V338 I384 F385 V388 | A330-C334 PolarHBondContact O-N 2.83Å; A330-C334 VanDerWaalsContact O-N 3.11Å; A330-C334 PolarHBondContact O-SG 3.16Å; L331-C334 WeakPolarHBondContact O-CB 3.35Å; L331-C334 PolarHBondContact O-N 3.41Å; L331-C334 VanDerWaalsContact O-N 3.13Å; C334-Q336 VanDerWaalsContact C-N 3.32Å; C334-Q336 PolarHBondContact O-N 3.49Å; C334-R337 PolarHBondContact O-N 2.93Å; C334-V338 VanDerWaalsContact O-CG2 3.3Å; C334-V338 WeakPolarHBondContact O-CG2 3.34Å; C334-V338 PolarHBondContact O-N 2.97Å; C334-I384 HydrophobicContact CB-CG2 3.92Å; C334-F385 HydrophobicContact CB-CD1 4.07Å; C334-F385 HydrophobicContact CB-CE1 3.54Å; C334-F385 HydrophobicContact CB-CZ 3.9Å; C334-V388 WeakPolarHBondContact SG-CG2 3.44Å |
| 335 | Y | 94.6 | Very high | 91.4 | Very high | 50 Ų | 50 | 70.7 Ų | 70.7 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 178.2 | -56.5 | -30.9 | 0 | 0 | 0 | 111.4 | L331 P332 E333 V338 Q339 L347 P350 F352 F385 | L331-Y335 HydrophobicContact CB-CE1 4.43Å; L331-Y335 HydrophobicContact CB-CE2 3.85Å; L331-Y335 HydrophobicContact CD2-CE1 4.17Å; L331-Y335 WeakPolarHBondContact O-CD1 3.44Å; L331-Y335 WeakPolarHBondContact O-CD2 3.39Å; L331-Y335 PolarHBondContact O-N 3.35Å; P332-Y335 PolarHBondContact O-N 3.3Å; E333-Y335 PolarHBondContact O-N 3.3Å; Y335-V338 PolarHBondContact O-N 3.25Å; Y335-Q339 WeakPolarHBondContact O-CB 3.48Å; Y335-Q339 VanDerWaalsContact O-CG 3.32Å; Y335-Q339 WeakPolarHBondContact O-CG 3.32Å; Y335-Q339 PolarHBondContact O-N 3.2Å; Y335-L347 HydrophobicContact CD1-CD1 3.85Å; Y335-L347 HydrophobicContact CD1-CD2 4.24Å; Y335-L347 HydrophobicContact CG-CD1 4.46Å; Y335-P350 HydrophobicContact CE1-CB 3.83Å; Y335-P350 HydrophobicContact CE1-CG 4.43Å; Y335-F352 AromaticContact CE1-CE2 3.76Å; Y335-F352 HydrophobicContact CE1-CE2 3.76Å; Y335-F352 HydrophobicContact CE1-CZ 4.3Å; Y335-F352 AromaticContact CZ-CE2 3.98Å; Y335-F352 WeakPolarHBondContact OH-CD2 3.47Å; Y335-F352 VanDerWaalsContact OH-CE2 3.26Å; Y335-F352 WeakPolarHBondContact OH-CE2 3.26Å; Y335-F385 HydrophobicContact CD1-CE1 4.36Å; Y335-F385 AromaticContact CD1-CZ 3.95Å; Y335-F385 HydrophobicContact CD1-CZ 3.95Å; Y335-F385 HydrophobicContact CE1-CE1 4.05Å; Y335-F385 AromaticContact CE1-CZ 3.95Å; Y335-F385 HydrophobicContact CE1-CZ 3.95Å |
| 336 | Q | 94.1 | Very high | 91.8 | Very high | 119 Ų | 119 | 69.7 Ų | 69.7 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 175.9 | -74.1 | -177.1 | -13.8 | 0 | 0 | 112.1 | P332 E333 C334 V338 Q339 Q340 | P332-Q336 WeakPolarHBondContact O-CG 3.24Å; P332-Q336 PolarHBondContact O-N 3.01Å; P332-Q336 VanDerWaalsContact O-N 3.08Å; E333-Q336 PolarHBondContact O-N 3.44Å; C334-Q336 VanDerWaalsContact C-N 3.32Å; C334-Q336 PolarHBondContact O-N 3.49Å; Q336-V338 VanDerWaalsContact C-N 3.33Å; Q336-V338 PolarHBondContact O-N 2.97Å; Q336-Q339 PolarHBondContact O-N 3.03Å; Q336-Q340 VanDerWaalsContact O-CG 3.27Å; Q336-Q340 WeakPolarHBondContact O-CG 3.41Å; Q336-Q340 PolarHBondContact O-N 3.43Å |
| 337 | R | 93.9 | Very high | 92.4 | Very high | 94 Ų | 94 | 67.2 Ų | 67.2 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 178 | -70.7 | 178.6 | -172.5 | 173.1 | 0.8 | 112.4 | E333 C334 Q340 I384 | E333-R337 VanDerWaalsContact CD-NH2 3.32Å; E333-R337 WeakPolarHBondContact O-CG 3.45Å; E333-R337 PolarHBondContact O-N 2.89Å; E333-R337 IonicContact OE1-CZ 3.37Å; E333-R337 IonicContact OE1-NE 3.54Å; E333-R337 IonicContact OE1-NH2 2.63Å; E333-R337 PolarHBondContact OE1-NH2 2.88Å; E333-R337 IonicContact OE2-NH2 3.88Å; C334-R337 PolarHBondContact O-N 2.93Å; R337-Q340 PolarHBondContact O-N 2.96Å; R337-I384 HydrophobicContact CB-CD1 4.03Å; R337-I384 HydrophobicContact CB-CG2 4.38Å |
| 338 | V | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 177.5 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | C334 Y335 Q336 Q340 L341 L347 L366 T381 I384 F385 | C334-V338 VanDerWaalsContact O-CG2 3.3Å; C334-V338 WeakPolarHBondContact O-CG2 3.34Å; C334-V338 PolarHBondContact O-N 2.97Å; Y335-V338 PolarHBondContact O-N 3.25Å; Q336-V338 VanDerWaalsContact C-N 3.33Å; Q336-V338 PolarHBondContact O-N 2.97Å; V338-Q340 PolarHBondContact O-N 2.97Å; V338-L341 HydrophobicContact CG1-CD1 4.45Å; V338-L341 WeakPolarHBondContact O-CB 3.34Å; V338-L341 WeakPolarHBondContact O-CG 3.4Å; V338-L341 PolarHBondContact O-N 3.32Å; V338-L347 HydrophobicContact CB-CD1 4.19Å; V338-L347 HydrophobicContact CG1-CD1 3.97Å; V338-L366 HydrophobicContact CG1-CD1 4.31Å; V338-L366 HydrophobicContact CG1-CD2 3.67Å; V338-T381 HydrophobicContact CG1-CG2 4.36Å; V338-T381 HydrophobicContact CG2-CG2 4.11Å; V338-I384 HydrophobicContact CG2-CD1 3.76Å; V338-I384 HydrophobicContact CG2-CG2 4.33Å; V338-F385 HydrophobicContact CG2-CE2 3.87Å; V338-F385 HydrophobicContact CG2-CZ 4.49Å |
| 339 | Q | 94.4 | Very high | 92.9 | Very high | 96 Ų | 96 | 71.5 Ų | 71.5 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.3 | -23.9 | 174.8 | -75.3 | 177.8 | -17.6 | 0 | 0 | 113.3 | Y335 Q336 L341 L347 | Y335-Q339 WeakPolarHBondContact O-CB 3.48Å; Y335-Q339 VanDerWaalsContact O-CG 3.32Å; Y335-Q339 WeakPolarHBondContact O-CG 3.32Å; Y335-Q339 PolarHBondContact O-N 3.2Å; Q336-Q339 PolarHBondContact O-N 3.03Å; Q339-L341 VanDerWaalsContact C-N 3.31Å; Q339-L347 HydrophobicContact CG-CB 4.3Å |
| 340 | Q | 94.7 | Very high | 93.2 | Very high | 154 Ų | 154 | 67.2 Ų | 67.2 | 72% | 0.72 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.4 | 175.8 | -72.6 | 170.3 | 2.6 | 0 | 0 | 113.5 | Q336 R337 V338 | Q336-Q340 VanDerWaalsContact O-CG 3.27Å; Q336-Q340 WeakPolarHBondContact O-CG 3.41Å; Q336-Q340 PolarHBondContact O-N 3.43Å; R337-Q340 PolarHBondContact O-N 2.96Å; V338-Q340 PolarHBondContact O-N 2.97Å |
| 341 | L | 93.8 | Very high | 93.3 | Very high | 24 Ų | 24 | 70.4 Ų | 70.4 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -66.9 | 135.6 | 176.8 | -64.6 | 175.2 | 0 | 0 | 0 | 110.5 | V338 Q339 G343 V344 W376 I377 Q380 I384 | V338-L341 HydrophobicContact CG1-CD1 4.45Å; V338-L341 WeakPolarHBondContact O-CB 3.34Å; V338-L341 WeakPolarHBondContact O-CG 3.4Å; V338-L341 PolarHBondContact O-N 3.32Å; Q339-L341 VanDerWaalsContact C-N 3.31Å; L341-G343 PolarHBondContact O-N 3.23Å; L341-V344 HydrophobicContact CB-CB 4.47Å; L341-V344 HydrophobicContact CB-CG2 3.81Å; L341-V344 PolarHBondContact O-N 3.48Å; L341-V344 VanDerWaalsContact O-N 3.12Å; L341-W376 HydrophobicContact CB-CZ3 4.25Å; L341-W376 HydrophobicContact CD2-CH2 3.79Å; L341-W376 HydrophobicContact CD2-CZ3 4.12Å; L341-I377 HydrophobicContact CD1-CG2 4.45Å; L341-Q380 HydrophobicContact CD1-CB 3.92Å; L341-Q380 HydrophobicContact CD2-CB 4Å; L341-Q380 HydrophobicContact CD2-CG 4.38Å; L341-I384 HydrophobicContact CD1-CD1 4.39Å |
| 342 | Q | 90.4 | Very high | 93.4 | Very high | 169 Ų | 169 | 70.2 Ų | 70.2 | 79% | 0.79 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 127 | 179 | -172 | 176.6 | 0.1 | 0 | 0 | 110.5 | ||
| 343 | G | 89.6 | Confident | 93.4 | Very high | 21 Ų | 21 | 67.9 Ų | 67.9 | 22% | 0.216 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -3.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L341 V368 A369 | L341-G343 PolarHBondContact O-N 3.23Å; G343-V368 CarbonylContact O-C 3.59Å; G343-V368 VanDerWaalsContact O-CA 3.29Å; G343-V368 WeakPolarHBondContact O-CA 3.08Å; G343-V368 WeakPolarHBondContact O-CG1 3.47Å; G343-A369 PolarHBondContact O-N 3.37Å |
| 344 | V | 94.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 119 | 171.4 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | L341 L366 I377 | L341-V344 HydrophobicContact CB-CB 4.47Å; L341-V344 HydrophobicContact CB-CG2 3.81Å; L341-V344 PolarHBondContact O-N 3.48Å; L341-V344 VanDerWaalsContact O-N 3.12Å; V344-L366 HydrophobicContact CG1-CD2 4.39Å; V344-I377 HydrophobicContact CG2-CD1 4.06Å; V344-I377 HydrophobicContact CG2-CG1 4.35Å; V344-I377 HydrophobicContact CG2-CG2 3.64Å |
| 345 | Y | 92.6 | Very high | 92.8 | Very high | 142 Ų | 142 | 64.1 Ų | 64.1 | 56% | 0.557 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -40.3 | 176.3 | -67.6 | -44 | 0 | 0 | 0 | 112.7 | L367 A369 A400 | Y345-L367 PolarHBondContact N-O 2.75Å; Y345-A369 HydrophobicContact CE1-CB 4.42Å; Y345-A369 HydrophobicContact CE2-CB 3.7Å; Y345-A369 WeakPolarHBondContact OH-CB 3.42Å; Y345-A400 HydrophobicContact CD2-CB 3.86Å; Y345-A400 HydrophobicContact CE2-CB 3.78Å |
| 346 | N | 92.8 | Very high | 92 | Very high | 64 Ų | 64 | 61.9 Ų | 61.9 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 149.9 | -176.1 | -160.1 | 3.6 | 0 | 0 | 0 | 111.9 | L367 | N346-L367 HydrophobicContact CB-CB 4.06Å; N346-L367 HydrophobicContact CB-CD2 4.31Å; N346-L367 PolarHBondContact N-O 3.21Å; N346-L367 PolarHBondContact O-N 3.46Å |
| 347 | L | 94.3 | Very high | 91 | Very high | 18 Ų | 18 | 56.8 Ų | 56.8 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.6 | 171 | -176.2 | 157.2 | 0 | 0 | 0 | 107.9 | Y335 V338 Q339 P350 L366 | Y335-L347 HydrophobicContact CD1-CD1 3.85Å; Y335-L347 HydrophobicContact CD1-CD2 4.24Å; Y335-L347 HydrophobicContact CG-CD1 4.46Å; V338-L347 HydrophobicContact CB-CD1 4.19Å; V338-L347 HydrophobicContact CG1-CD1 3.97Å; Q339-L347 HydrophobicContact CG-CB 4.3Å; L347-P350 HydrophobicContact CD2-CB 4Å; L347-P350 HydrophobicContact CD2-CG 3.87Å; L347-L366 HydrophobicContact CB-CD2 4.13Å; L347-L366 HydrophobicContact CD1-CD2 4.17Å; L347-L366 HydrophobicContact CG-CD2 4.01Å |
| 348 | Q | 93.3 | Very high | 90.2 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 34% | 0.341 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 150.3 | -174.2 | -63.7 | -179.2 | -6.9 | 0 | 0 | 111.2 | P350 K365 | Q348-P350 VanDerWaalsContact C-CD 3.47Å; Q348-K365 HydrophobicContact CB-CB 4.1Å; Q348-K365 PolarHBondContact N-O 2.87Å; Q348-K365 PolarHBondContact O-N 3.34Å |
| 349 | E | 92.8 | Very high | 89.6 | Confident | 120 Ų | 120 | 57.4 Ų | 57.4 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47.7 | 50.2 | 172.8 | -58.9 | 175.8 | -157.3 | 0 | 0 | 115.2 | H351 K365 | E349-H351 PolarHBondContact O-N 2.81Å; E349-K365 HydrophobicContact CB-CD 4.44Å; E349-K365 HydrophobicContact CG-CD 4.49Å; E349-K365 IonicContact OE1-NZ 3.06Å; E349-K365 PolarHBondContact OE1-NZ 2.92Å; E349-K365 WeakPolarHBondContact OE2-CE 3.36Å; E349-K365 IonicContact OE2-NZ 2.68Å; E349-K365 PolarHBondContact OE2-NZ 3.28Å |
| 350 | P | 93.8 | Very high | 89.5 | Confident | 54 Ų | 54 | 54.6 Ų | 54.6 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 123.1 | 172.6 | 27.5 | -30.9 | 0 | 0 | 0 | 109.8 | Y335 L347 Q348 F352 | Y335-P350 HydrophobicContact CE1-CB 3.83Å; Y335-P350 HydrophobicContact CE1-CG 4.43Å; L347-P350 HydrophobicContact CD2-CB 4Å; L347-P350 HydrophobicContact CD2-CG 3.87Å; Q348-P350 VanDerWaalsContact C-CD 3.47Å; P350-F352 HydrophobicContact CB-CD2 4.43Å; P350-F352 HydrophobicContact CB-CE2 3.89Å |
| 351 | H | 93.6 | Very high | 89.3 | Confident | 90 Ų | 90 | 47.2 Ų | 47.2 | 42% | 0.417 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 117.2 | 175.1 | -176.2 | 72.1 | 0 | 0 | 0 | 109.7 | E349 W353 G362 T363 | E349-H351 PolarHBondContact O-N 2.81Å; H351-W353 AromaticContact CD2-CE3 3.34Å; H351-W353 AromaticContact CD2-CZ3 3.64Å; H351-W353 AromaticContact NE2-CE3 3.77Å; H351-G362 CarbonylContact O-C 3.52Å; H351-G362 WeakPolarHBondContact O-CA 3.48Å; H351-T363 HydrophobicContact CB-CG2 3.73Å; H351-T363 PolarHBondContact N-O 3.43Å; H351-T363 PolarHBondContact O-N 3.24Å |
| 352 | F | 93.8 | Very high | 89.3 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.7 | -179.2 | -66.6 | -92.3 | 0 | 0 | 0 | 109.3 | T323 L331 Y335 P350 I361 G362 L364 F385 V390 L393 | T323-F352 WeakPolarHBondContact CA-O 3.36Å; T323-F352 HydrophobicContact CG2-CB 4.41Å; L331-F352 HydrophobicContact CD1-CB 4.42Å; L331-F352 HydrophobicContact CD1-CD2 4.08Å; L331-F352 HydrophobicContact CD1-CG 4.29Å; L331-F352 HydrophobicContact CD2-CD1 4.1Å; L331-F352 HydrophobicContact CD2-CD2 3.73Å; L331-F352 HydrophobicContact CD2-CE1 4.02Å; L331-F352 HydrophobicContact CD2-CE2 3.67Å; L331-F352 HydrophobicContact CD2-CG 3.96Å; L331-F352 HydrophobicContact CD2-CZ 3.82Å; Y335-F352 AromaticContact CE1-CE2 3.76Å; Y335-F352 HydrophobicContact CE1-CE2 3.76Å; Y335-F352 HydrophobicContact CE1-CZ 4.3Å; Y335-F352 AromaticContact CZ-CE2 3.98Å; Y335-F352 WeakPolarHBondContact OH-CD2 3.47Å; Y335-F352 VanDerWaalsContact OH-CE2 3.26Å; Y335-F352 WeakPolarHBondContact OH-CE2 3.26Å; P350-F352 HydrophobicContact CB-CD2 4.43Å; P350-F352 HydrophobicContact CB-CE2 3.89Å; F352-I361 WeakPolarHBondContact CA-O 3.27Å; F352-G362 VanDerWaalsContact CD1-CA 3.44Å; F352-L364 HydrophobicContact CZ-CD2 4.3Å; F352-F385 AromaticContact CE1-CD1 3.79Å; F352-F385 HydrophobicContact CE1-CD1 3.79Å; F352-F385 AromaticContact CE1-CE1 3.87Å; F352-F385 HydrophobicContact CE1-CE1 3.87Å; F352-F385 HydrophobicContact CE2-CE1 4.18Å; F352-F385 AromaticContact CZ-CD1 3.73Å; F352-F385 HydrophobicContact CZ-CD1 3.73Å; F352-F385 AromaticContact CZ-CE1 3.31Å; F352-F385 HydrophobicContact CZ-CE1 3.31Å; F352-F385 AromaticContact CZ-CZ 3.83Å; F352-F385 HydrophobicContact CZ-CZ 3.83Å; F352-V390 HydrophobicContact CD1-CG2 4.17Å; F352-V390 HydrophobicContact CE1-CG1 4.36Å; F352-V390 HydrophobicContact CE1-CG2 4.03Å; F352-L393 HydrophobicContact CE1-CD1 4.01Å; F352-L393 HydrophobicContact CZ-CD1 4.28Å |
| 353 | W | 92.8 | Very high | 89.6 | Confident | 19 Ų | 19 | 40.4 Ų | 40.4 | 7% | 0.072 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 160.6 | 178.9 | 68.6 | 95.4 | 0 | 0 | 0 | 111.1 | Q321 H351 I361 T363 | Q321-W353 HydrophobicContact CB-CB 3.92Å; Q321-W353 HydrophobicContact CB-CG 4.44Å; H351-W353 AromaticContact CD2-CE3 3.34Å; H351-W353 AromaticContact CD2-CZ3 3.64Å; H351-W353 AromaticContact NE2-CE3 3.77Å; W353-I361 HydrophobicContact CD2-CB 4.21Å; W353-I361 HydrophobicContact CH2-CB 4.23Å; W353-I361 HydrophobicContact CH2-CG2 3.48Å; W353-I361 VanDerWaalsContact CH2-CG2 3.48Å; W353-I361 HydrophobicContact CZ2-CB 3.75Å; W353-I361 HydrophobicContact CZ2-CG2 3.27Å; W353-I361 HydrophobicContact CZ3-CG2 4.16Å; W353-I361 PolarHBondContact N-O 3.42Å; W353-I361 PolarHBondContact O-N 3.06Å; W353-T363 HydrophobicContact CZ3-CG2 3.99Å |
| 354 | T | 89.2 | Confident | 89.9 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 8% | 0.08 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.9 | 174.5 | -50.8 | 0 | 0 | 0 | 0 | 108.9 | I318 P324 C356 Y360 | I318-T354 HydrophobicContact CG1-CG2 4.03Å; I318-T354 HydrophobicContact CG2-CG2 4.26Å; P324-T354 WeakPolarHBondContact CB-OG1 3.18Å; T354-C356 WeakPolarHBondContact CG2-O 3.45Å; T354-Y360 HydrophobicContact CG2-CD1 4.2Å; T354-Y360 HydrophobicContact CG2-CE1 4.22Å |
| 355 | L | 85.2 | Confident | 90 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -50.5 | 176 | -179.5 | 65 | 0 | 0 | 0 | 110.9 | Y98 V101 R102 V359 I361 | Y98-L355 HydrophobicContact CD1-CD2 4.22Å; Y98-L355 HydrophobicContact CG-CD1 4.26Å; Y98-L355 HydrophobicContact CG-CD2 4.42Å; V101-L355 HydrophobicContact CG2-CD2 3.61Å; V101-L355 HydrophobicContact CG2-CG 3.94Å; R102-L355 HydrophobicContact CG-CD1 4.17Å; R102-L355 VanDerWaalsContact CG-O 3.26Å; R102-L355 WeakPolarHBondContact CG-O 3.47Å; L355-V359 HydrophobicContact CB-CG1 4.13Å; L355-V359 HydrophobicContact CD2-CG1 4.33Å; L355-V359 PolarHBondContact N-O 2.92Å; L355-I361 HydrophobicContact CB-CD1 3.75Å; L355-I361 HydrophobicContact CB-CG1 4.08Å; L355-I361 HydrophobicContact CD1-CD1 4.42Å; L355-I361 HydrophobicContact CD2-CD1 3.6Å; L355-I361 HydrophobicContact CG-CD1 4.11Å |
| 356 | C | 79.3 | Confident | 90.1 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.02 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 179.4 | 170.8 | 61 | 0 | 0 | 0 | 0 | 108 | V101 V105 T354 D358 V359 | V101-C356 HydrophobicContact CB-CB 4.24Å; V105-C356 HydrophobicContact CG2-CB 4.35Å; T354-C356 WeakPolarHBondContact CG2-O 3.45Å; C356-D358 PolarHBondContact O-N 3.31Å; C356-V359 PolarHBondContact O-N 2.69Å; C356-V359 VanDerWaalsContact SG-CB 3.56Å; C356-V359 WeakPolarHBondContact SG-CG2 3.48Å |
| 357 | T | 72.8 | Confident | 90.2 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | 121.5 | 178.6 | -40.7 | 0 | 0 | 0 | 0 | 111.5 | S255 Q258 V359 | S255-T357 PolarHBondContact OG-OG1 2.95Å; Q258-T357 HydrophobicContact CG-CG2 3.89Å; Q258-T357 VanDerWaalsContact NE2-CG2 3.34Å; Q258-T357 VanDerWaalsContact OE1-CG2 3.26Å; Q258-T357 PolarHBondContact OE1-OG1 2.95Å; T357-V359 PolarHBondContact O-N 3Å; T357-V359 VanDerWaalsContact O-N 3.16Å |
| 358 | D | 75.9 | Confident | 90.2 | Very high | 90 Ų | 90 | 32.6 Ų | 32.6 | 48% | 0.481 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 21 | 179.5 | -52.3 | -38.2 | 0 | 0 | 0 | 115.8 | C356 | C356-D358 PolarHBondContact O-N 3.31Š|
| 359 | V | 83.4 | Confident | 90.2 | Very high | 18 Ų | 18 | 29.4 Ų | 29.4 | 11% | 0.109 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 99.4 | 172.6 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | L355 C356 T357 | L355-V359 HydrophobicContact CB-CG1 4.13Å; L355-V359 HydrophobicContact CD2-CG1 4.33Å; L355-V359 PolarHBondContact N-O 2.92Å; C356-V359 PolarHBondContact O-N 2.69Å; C356-V359 VanDerWaalsContact SG-CB 3.56Å; C356-V359 WeakPolarHBondContact SG-CG2 3.48Å; T357-V359 PolarHBondContact O-N 3Å; T357-V359 VanDerWaalsContact O-N 3.16Å |
| 360 | Y | 90.5 | Very high | 90.1 | Very high | 36 Ų | 36 | 27 Ų | 27 | 14% | 0.141 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 136.1 | 179 | -46.3 | -46.5 | 0 | 0 | 0 | 111 | P324 S326 L327 T354 G389 R391 | P324-Y360 HydrophobicContact CB-CD1 3.59Å; P324-Y360 HydrophobicContact CB-CE1 3.51Å; P324-Y360 HydrophobicContact CB-CG 4.29Å; P324-Y360 HydrophobicContact CG-CD1 3.71Å; P324-Y360 HydrophobicContact CG-CE1 4.15Å; P324-Y360 HydrophobicContact CG-CG 4.03Å; S326-Y360 PolarHBondContact OG-OH 3.3Å; L327-Y360 HydrophobicContact CD1-CD2 3.85Å; L327-Y360 HydrophobicContact CD1-CG 3.91Å; L327-Y360 HydrophobicContact CD2-CD2 4.06Å; L327-Y360 HydrophobicContact CD2-CE2 4.27Å; L327-Y360 HydrophobicContact CG-CD2 4.02Å; L327-Y360 HydrophobicContact CG-CE2 4.32Å; L327-Y360 HydrophobicContact CG-CG 4.4Å; T354-Y360 HydrophobicContact CG2-CD1 4.2Å; T354-Y360 HydrophobicContact CG2-CE1 4.22Å; Y360-G389 WeakPolarHBondContact CD2-O 3.37Å; Y360-R391 PolarHBondContact O-N 2.96Å |
| 361 | I | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.6 | 177.5 | -54.3 | -170.4 | 0 | 0 | 0 | 108.5 | Y98 F352 W353 L355 Q392 Y394 | Y98-I361 HydrophobicContact CD1-CD1 3.84Å; Y98-I361 HydrophobicContact CE1-CD1 3.67Å; F352-I361 WeakPolarHBondContact CA-O 3.27Å; W353-I361 HydrophobicContact CD2-CB 4.21Å; W353-I361 HydrophobicContact CH2-CB 4.23Å; W353-I361 HydrophobicContact CH2-CG2 3.48Å; W353-I361 VanDerWaalsContact CH2-CG2 3.48Å; W353-I361 HydrophobicContact CZ2-CB 3.75Å; W353-I361 HydrophobicContact CZ2-CG2 3.27Å; W353-I361 HydrophobicContact CZ3-CG2 4.16Å; W353-I361 PolarHBondContact N-O 3.42Å; W353-I361 PolarHBondContact O-N 3.06Å; L355-I361 HydrophobicContact CB-CD1 3.75Å; L355-I361 HydrophobicContact CB-CG1 4.08Å; L355-I361 HydrophobicContact CD1-CD1 4.42Å; L355-I361 HydrophobicContact CD2-CD1 3.6Å; L355-I361 HydrophobicContact CG-CD1 4.11Å; I361-Q392 CarbonylContact C-O 3.53Å; I361-Q392 VanDerWaalsContact CA-O 3.28Å; I361-Q392 WeakPolarHBondContact CA-O 3.47Å; I361-Q392 HydrophobicContact CG1-CB 4.23Å; I361-Q392 HydrophobicContact CG2-CB 4.31Å; I361-Q392 WeakPolarHBondContact CG2-O 3.41Å; I361-Y394 HydrophobicContact CG2-CD2 4.35Å; I361-Y394 HydrophobicContact CG2-CE2 4.22Å |
| 362 | G | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H351 F352 Q392 L393 Y394 | H351-G362 CarbonylContact O-C 3.52Å; H351-G362 WeakPolarHBondContact O-CA 3.48Å; F352-G362 VanDerWaalsContact CD1-CA 3.44Å; G362-Q392 PolarHBondContact N-O 3.25Å; G362-L393 CarbonylContact O-C 3.11Å; G362-L393 WeakPolarHBondContact O-CA 3.34Å; G362-Y394 PolarHBondContact O-N 3.11Å |
| 363 | T | 95.3 | Very high | 89.7 | Confident | 50 Ų | 50 | 32.6 Ų | 32.6 | 31% | 0.307 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.4 | 162.3 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | H351 W353 Y394 | H351-T363 HydrophobicContact CB-CG2 3.73Å; H351-T363 PolarHBondContact N-O 3.43Å; H351-T363 PolarHBondContact O-N 3.24Å; W353-T363 HydrophobicContact CZ3-CG2 3.99Å; T363-Y394 CarbonylContact C-O 3.59Å; T363-Y394 VanDerWaalsContact CA-O 3.27Å; T363-Y394 WeakPolarHBondContact CA-O 3.21Å |
| 364 | L | 95.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 158 | 174.6 | 62.4 | 88.7 | 0 | 0 | 0 | 110.8 | F352 L366 T381 F385 L393 Y394 V395 Q396 | F352-L364 HydrophobicContact CZ-CD2 4.3Å; L364-L366 HydrophobicContact CD1-CD1 4.14Å; L364-L366 HydrophobicContact CD1-CD2 3.59Å; L364-L366 HydrophobicContact CD1-CG 3.53Å; L364-T381 HydrophobicContact CD1-CG2 4.37Å; L364-T381 HydrophobicContact CD2-CG2 4.33Å; L364-F385 HydrophobicContact CD2-CD2 4.06Å; L364-F385 HydrophobicContact CD2-CE2 3.31Å; L364-F385 HydrophobicContact CD2-CZ 3.63Å; L364-L393 HydrophobicContact CD2-CD1 3.91Å; L364-L393 HydrophobicContact CD2-CD2 4.37Å; L364-L393 HydrophobicContact CG-CD1 4.41Å; L364-Y394 PolarHBondContact N-O 3.03Å; L364-V395 HydrophobicContact CD1-CB 4.42Å; L364-V395 HydrophobicContact CD1-CG1 3.84Å; L364-V395 HydrophobicContact CD1-CG2 4.13Å; L364-V395 HydrophobicContact CG-CG2 4.33Å; L364-V395 WeakPolarHBondContact O-CA 3.39Å; L364-Q396 PolarHBondContact O-N 3.01Å |
| 365 | K | 96.1 | Very high | 89.8 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 20% | 0.2 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.1 | 174.6 | -59.5 | -175.9 | 175.8 | 165.7 | 0 | 110 | Q348 E349 Q396 | Q348-K365 HydrophobicContact CB-CB 4.1Å; Q348-K365 PolarHBondContact N-O 2.87Å; Q348-K365 PolarHBondContact O-N 3.34Å; E349-K365 HydrophobicContact CB-CD 4.44Å; E349-K365 HydrophobicContact CG-CD 4.49Å; E349-K365 IonicContact OE1-NZ 3.06Å; E349-K365 PolarHBondContact OE1-NZ 2.92Å; E349-K365 WeakPolarHBondContact OE2-CE 3.36Å; E349-K365 IonicContact OE2-NZ 2.68Å; E349-K365 PolarHBondContact OE2-NZ 3.28Å; K365-Q396 CarbonylContact C-O 3.57Å; K365-Q396 WeakPolarHBondContact CA-O 3.14Å; K365-Q396 HydrophobicContact CG-CB 4.13Å |
| 366 | L | 95.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.8 | 175.4 | -62.2 | -179.6 | 0 | 0 | 0 | 110 | V338 V344 L347 L364 V368 I377 T381 V395 Q396 D398 | V338-L366 HydrophobicContact CG1-CD1 4.31Å; V338-L366 HydrophobicContact CG1-CD2 3.67Å; V344-L366 HydrophobicContact CG1-CD2 4.39Å; L347-L366 HydrophobicContact CB-CD2 4.13Å; L347-L366 HydrophobicContact CD1-CD2 4.17Å; L347-L366 HydrophobicContact CG-CD2 4.01Å; L364-L366 HydrophobicContact CD1-CD1 4.14Å; L364-L366 HydrophobicContact CD1-CD2 3.59Å; L364-L366 HydrophobicContact CD1-CG 3.53Å; L366-V368 HydrophobicContact CB-CG2 3.99Å; L366-I377 HydrophobicContact CD1-CG2 3.91Å; L366-T381 HydrophobicContact CD1-CG2 4.26Å; L366-V395 HydrophobicContact CD1-CG1 3.68Å; L366-V395 HydrophobicContact CG-CG1 3.95Å; L366-Q396 PolarHBondContact N-O 2.98Å; L366-D398 PolarHBondContact O-N 2.99Å |
| 367 | L | 94.9 | Very high | 91 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.4 | 168.2 | -175 | 67.6 | 0 | 0 | 0 | 108.5 | Y345 N346 D398 A400 | Y345-L367 PolarHBondContact N-O 2.75Å; N346-L367 HydrophobicContact CB-CB 4.06Å; N346-L367 HydrophobicContact CB-CD2 4.31Å; N346-L367 PolarHBondContact N-O 3.21Å; N346-L367 PolarHBondContact O-N 3.46Å; L367-D398 CarbonylContact C-O 3.59Å; L367-D398 WeakPolarHBondContact CA-O 3.45Å; L367-D398 HydrophobicContact CD1-CB 4.4Å; L367-A400 HydrophobicContact CD1-CB 4.19Å; L367-A400 HydrophobicContact CG-CB 4.43Å |
| 368 | V | 95.1 | Very high | 92 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.3 | -170.4 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | G343 L366 A372 I377 I397 D398 T399 A400 | G343-V368 CarbonylContact O-C 3.59Å; G343-V368 VanDerWaalsContact O-CA 3.29Å; G343-V368 WeakPolarHBondContact O-CA 3.08Å; G343-V368 WeakPolarHBondContact O-CG1 3.47Å; L366-V368 HydrophobicContact CB-CG2 3.99Å; V368-A372 HydrophobicContact CG1-CB 3.69Å; V368-I377 HydrophobicContact CG1-CD1 3.45Å; V368-I377 VanDerWaalsContact CG1-CD1 3.45Å; V368-I377 HydrophobicContact CG2-CD1 4.2Å; V368-I397 HydrophobicContact CB-CG2 3.97Å; V368-I397 HydrophobicContact CG2-CG2 3.68Å; V368-D398 PolarHBondContact N-O 2.9Å; V368-T399 WeakPolarHBondContact O-CA 3.46Å; V368-A400 PolarHBondContact O-N 3.18Å |
| 369 | A | 93.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | trans | -64.1 | 146.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | G343 Y345 D371 A372 | G343-A369 PolarHBondContact O-N 3.37Å; Y345-A369 HydrophobicContact CE1-CB 4.42Å; Y345-A369 HydrophobicContact CE2-CB 3.7Å; Y345-A369 WeakPolarHBondContact OH-CB 3.42Å; A369-D371 VanDerWaalsContact CB-OD1 3.31Å; A369-D371 WeakPolarHBondContact CB-OD1 3.44Å; A369-D371 PolarHBondContact O-N 2.97Å; A369-A372 HydrophobicContact CB-CB 4.14Å; A369-A372 PolarHBondContact O-N 3.49Å | ||
| 370 | P | 90 | Very high | 93.4 | Very high | 70 Ų | 70 | 52 Ų | 52 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.5 | -177.1 | -19.7 | 31.1 | 0 | 0 | 0 | 114.3 | M402 | P370-M402 HydrophobicContact CB-CG 4.37Å; P370-M402 HydrophobicContact CG-CG 3.9Å |
| 371 | D | 90.3 | Very high | 93.6 | Very high | 145 Ų | 145 | 50.3 Ų | 50.3 | 78% | 0.775 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -2.9 | -176.5 | 63.6 | -36.1 | 0 | 0 | 0 | 113.7 | A369 | A369-D371 VanDerWaalsContact CB-OD1 3.31Å; A369-D371 WeakPolarHBondContact CB-OD1 3.44Å; A369-D371 PolarHBondContact O-N 2.97Å |
| 372 | A | 89.3 | Confident | 93.8 | Very high | 20 Ų | 20 | 53 Ų | 53 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -82.2 | 148.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V368 A369 T374 I377 | V368-A372 HydrophobicContact CG1-CB 3.69Å; A369-A372 HydrophobicContact CB-CB 4.14Å; A369-A372 PolarHBondContact O-N 3.49Å; A372-T374 PolarHBondContact O-N 3.42Å; A372-I377 HydrophobicContact CB-CD1 3.96Å |
| 373 | D | 92.8 | Very high | 93.8 | Very high | 101 Ų | 101 | 56.7 Ų | 56.7 | 54% | 0.54 | 29% | 0.288 | S | S | . | . | trans | -73.6 | 97.8 | 175.4 | -175.1 | -4.7 | 0 | 0 | 0 | 111.4 | R375 W376 I377 | D373-R375 VanDerWaalsContact C-N 3.26Å; D373-R375 PolarHBondContact O-N 3.39Å; D373-R375 WeakPolarHBondContact OD1-CB 3.28Å; D373-R375 PolarHBondContact OD1-N 3.41Å; D373-W376 HydrophobicContact CB-CB 4.01Å; D373-W376 PolarHBondContact O-N 3.08Å; D373-W376 PolarHBondContact OD1-N 3.06Å; D373-I377 WeakPolarHBondContact O-CG1 3.41Å; D373-I377 PolarHBondContact O-N 2.92Å; D373-I377 VanDerWaalsContact O-N 3.1Å | ||
| 374 | T | 92.3 | Very high | 93.8 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.2 | -36.5 | 178.6 | -42.1 | 0 | 0 | 0 | 0 | 113 | A372 L378 I397 | A372-T374 PolarHBondContact O-N 3.42Å; T374-L378 VanDerWaalsContact O-CB 3.3Å; T374-L378 WeakPolarHBondContact O-CB 3.41Å; T374-L378 PolarHBondContact O-N 3.48Å; T374-I397 HydrophobicContact CG2-CB 4.2Å; T374-I397 HydrophobicContact CG2-CD1 3.3Å; T374-I397 HydrophobicContact CG2-CG1 4.31Å; T374-I397 HydrophobicContact CG2-CG2 3.91Å |
| 375 | R | 92.3 | Very high | 93.7 | Very high | 213 Ų | 213 | 55.2 Ų | 55.2 | 80% | 0.804 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -73 | -41.3 | -176.9 | -67.7 | -178.6 | 178.3 | 176 | 1 | 110.9 | D373 S379 | D373-R375 VanDerWaalsContact C-N 3.26Å; D373-R375 PolarHBondContact O-N 3.39Å; D373-R375 WeakPolarHBondContact OD1-CB 3.28Å; D373-R375 PolarHBondContact OD1-N 3.41Å; R375-S379 WeakPolarHBondContact O-CB 3.31Å; R375-S379 PolarHBondContact O-N 3.35Å |
| 376 | W | 94.2 | Very high | 93.5 | Very high | 110 Ų | 110 | 56.9 Ų | 56.9 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 175.8 | -179.2 | 87.4 | 0 | 0 | 0 | 111 | L341 D373 L378 S379 Q380 | L341-W376 HydrophobicContact CB-CZ3 4.25Å; L341-W376 HydrophobicContact CD2-CH2 3.79Å; L341-W376 HydrophobicContact CD2-CZ3 4.12Å; D373-W376 HydrophobicContact CB-CB 4.01Å; D373-W376 PolarHBondContact O-N 3.08Å; D373-W376 PolarHBondContact OD1-N 3.06Å; W376-L378 VanDerWaalsContact C-N 3.35Å; W376-L378 PolarHBondContact O-N 2.93Å; W376-S379 PolarHBondContact O-N 3.44Å; W376-Q380 HydrophobicContact CD2-CG 3.97Å; W376-Q380 HydrophobicContact CE3-CG 4.37Å; W376-Q380 HydrophobicContact CH2-CG 4.16Å; W376-Q380 HydrophobicContact CZ2-CG 3.73Å; W376-Q380 HydrophobicContact CZ3-CG 4.46Å; W376-Q380 WeakPolarHBondContact O-CG 3.35Å; W376-Q380 PolarHBondContact O-N 3.46Å |
| 377 | I | 94.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59 | -46 | 178.4 | -66.9 | 171.3 | 0 | 0 | 0 | 111.2 | L341 V344 L366 V368 A372 D373 Q380 T381 | L341-I377 HydrophobicContact CD1-CG2 4.45Å; V344-I377 HydrophobicContact CG2-CD1 4.06Å; V344-I377 HydrophobicContact CG2-CG1 4.35Å; V344-I377 HydrophobicContact CG2-CG2 3.64Å; L366-I377 HydrophobicContact CD1-CG2 3.91Å; V368-I377 HydrophobicContact CG1-CD1 3.45Å; V368-I377 VanDerWaalsContact CG1-CD1 3.45Å; V368-I377 HydrophobicContact CG2-CD1 4.2Å; A372-I377 HydrophobicContact CB-CD1 3.96Å; D373-I377 WeakPolarHBondContact O-CG1 3.41Å; D373-I377 PolarHBondContact O-N 2.92Å; D373-I377 VanDerWaalsContact O-N 3.1Å; I377-Q380 PolarHBondContact O-N 3.36Å; I377-T381 WeakPolarHBondContact O-CB 3.43Å; I377-T381 PolarHBondContact O-N 2.92Å; I377-T381 PolarHBondContact O-OG1 3.48Å |
| 378 | L | 94.4 | Very high | 93 | Very high | 65 Ų | 65 | 63.5 Ų | 63.5 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 178.2 | -169.4 | 147.7 | 0 | 0 | 0 | 110.6 | T374 W376 Q380 T381 H382 I397 | T374-L378 VanDerWaalsContact O-CB 3.3Å; T374-L378 WeakPolarHBondContact O-CB 3.41Å; T374-L378 PolarHBondContact O-N 3.48Å; W376-L378 VanDerWaalsContact C-N 3.35Å; W376-L378 PolarHBondContact O-N 2.93Å; L378-Q380 PolarHBondContact O-N 3.41Å; L378-T381 PolarHBondContact O-N 3.17Å; L378-H382 VanDerWaalsContact CD2-CD2 3.41Å; L378-H382 WeakPolarHBondContact CD2-CD2 3.36Å; L378-H382 PolarHBondContact O-CD2 3.37Å; L378-H382 PolarHBondContact O-N 3.48Å; L378-I397 HydrophobicContact CB-CD1 4.07Å; L378-I397 HydrophobicContact CD1-CD1 3.93Å; L378-I397 HydrophobicContact CG-CD1 4.49Å |
| 379 | S | 94.7 | Very high | 92.6 | Very high | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 178.2 | -173.6 | 0 | 0 | 0 | 0 | 112.6 | R375 W376 N383 | R375-S379 WeakPolarHBondContact O-CB 3.31Å; R375-S379 PolarHBondContact O-N 3.35Å; W376-S379 PolarHBondContact O-N 3.44Å; S379-N383 PolarHBondContact O-N 3Å; S379-N383 PolarHBondContact O-ND2 3.46Å |
| 380 | Q | 94.9 | Very high | 92.5 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 29% | 0.29 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 178.1 | -69.2 | -52.7 | -46.4 | 0 | 0 | 111.7 | L341 W376 I377 L378 H382 N383 I384 | L341-Q380 HydrophobicContact CD1-CB 3.92Å; L341-Q380 HydrophobicContact CD2-CB 4Å; L341-Q380 HydrophobicContact CD2-CG 4.38Å; W376-Q380 HydrophobicContact CD2-CG 3.97Å; W376-Q380 HydrophobicContact CE3-CG 4.37Å; W376-Q380 HydrophobicContact CH2-CG 4.16Å; W376-Q380 HydrophobicContact CZ2-CG 3.73Å; W376-Q380 HydrophobicContact CZ3-CG 4.46Å; W376-Q380 WeakPolarHBondContact O-CG 3.35Å; W376-Q380 PolarHBondContact O-N 3.46Å; I377-Q380 PolarHBondContact O-N 3.36Å; L378-Q380 PolarHBondContact O-N 3.41Å; Q380-H382 PolarHBondContact O-N 3.13Å; Q380-N383 PolarHBondContact O-N 3.49Å; Q380-I384 VanDerWaalsContact O-CG1 3.31Å; Q380-I384 WeakPolarHBondContact O-CG1 3.37Å; Q380-I384 PolarHBondContact O-N 3.02Å |
| 381 | T | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | V338 L364 L366 I377 L378 N383 I384 F385 L393 V395 | V338-T381 HydrophobicContact CG1-CG2 4.36Å; V338-T381 HydrophobicContact CG2-CG2 4.11Å; L364-T381 HydrophobicContact CD1-CG2 4.37Å; L364-T381 HydrophobicContact CD2-CG2 4.33Å; L366-T381 HydrophobicContact CD1-CG2 4.26Å; I377-T381 WeakPolarHBondContact O-CB 3.43Å; I377-T381 PolarHBondContact O-N 2.92Å; I377-T381 PolarHBondContact O-OG1 3.48Å; L378-T381 PolarHBondContact O-N 3.17Å; T381-N383 VanDerWaalsContact C-N 3.33Å; T381-N383 PolarHBondContact O-N 3.19Å; T381-I384 PolarHBondContact O-N 3.27Å; T381-F385 HydrophobicContact CG2-CD2 3.92Å; T381-F385 HydrophobicContact CG2-CE2 3.88Å; T381-F385 VanDerWaalsContact O-CD2 3.3Å; T381-F385 WeakPolarHBondContact O-CD2 3.46Å; T381-F385 PolarHBondContact O-N 2.94Å; T381-L393 HydrophobicContact CG2-CD2 3.99Å; T381-V395 HydrophobicContact CG2-CG2 4Å |
| 382 | H | 94.9 | Very high | 92.3 | Very high | 58 Ų | 58 | 63.7 Ų | 63.7 | 27% | 0.269 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.7 | -44.5 | 173.7 | -87.4 | -93.6 | 0 | 0 | 0 | 112.1 | L378 Q380 I384 F385 T386 L393 | L378-H382 VanDerWaalsContact CD2-CD2 3.41Å; L378-H382 WeakPolarHBondContact CD2-CD2 3.36Å; L378-H382 PolarHBondContact O-CD2 3.37Å; L378-H382 PolarHBondContact O-N 3.48Å; Q380-H382 PolarHBondContact O-N 3.13Å; H382-I384 PolarHBondContact O-N 2.89Å; H382-F385 PolarHBondContact O-N 2.91Å; H382-T386 VanDerWaalsContact O-CB 3.26Å; H382-T386 WeakPolarHBondContact O-CB 3.01Å; H382-T386 PolarHBondContact O-N 3.2Å; H382-T386 PolarHBondContact O-OG1 2.75Å; H382-L393 PolarHBondContact CE1-O 3.07Å |
| 383 | N | 94.7 | Very high | 92.6 | Very high | 77 Ų | 77 | 63.4 Ų | 63.4 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 178 | -76.2 | -24.1 | 0 | 0 | 0 | 112.4 | S379 Q380 T381 F385 T386 Q387 | S379-N383 PolarHBondContact O-N 3Å; S379-N383 PolarHBondContact O-ND2 3.46Å; Q380-N383 PolarHBondContact O-N 3.49Å; T381-N383 VanDerWaalsContact C-N 3.33Å; T381-N383 PolarHBondContact O-N 3.19Å; N383-F385 PolarHBondContact O-N 3.02Å; N383-T386 PolarHBondContact O-N 2.88Å; N383-Q387 WeakPolarHBondContact O-CG 3.35Å; N383-Q387 PolarHBondContact O-N 3.07Å; N383-Q387 VanDerWaalsContact O-N 3.09Å |
| 384 | I | 94.4 | Very high | 92.6 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 9% | 0.087 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -49.4 | 179.8 | -68.8 | 162.6 | 0 | 0 | 0 | 110.8 | C334 R337 V338 L341 Q380 T381 H382 Q387 | C334-I384 HydrophobicContact CB-CG2 3.92Å; R337-I384 HydrophobicContact CB-CD1 4.03Å; R337-I384 HydrophobicContact CB-CG2 4.38Å; V338-I384 HydrophobicContact CG2-CD1 3.76Å; V338-I384 HydrophobicContact CG2-CG2 4.33Å; L341-I384 HydrophobicContact CD1-CD1 4.39Å; Q380-I384 VanDerWaalsContact O-CG1 3.31Å; Q380-I384 WeakPolarHBondContact O-CG1 3.37Å; Q380-I384 PolarHBondContact O-N 3.02Å; T381-I384 PolarHBondContact O-N 3.27Å; H382-I384 PolarHBondContact O-N 2.89Å; I384-Q387 PolarHBondContact O-N 2.99Å |
| 385 | F | 94.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -75.3 | -30.4 | -178.4 | -74.7 | -74.5 | 0 | 0 | 0 | 113.2 | L331 C334 Y335 V338 F352 L364 T381 H382 N383 Q387 V388 G389 V390 L393 | L331-F385 HydrophobicContact CD2-CD1 4.4Å; L331-F385 HydrophobicContact CD2-CE1 3.93Å; C334-F385 HydrophobicContact CB-CD1 4.07Å; C334-F385 HydrophobicContact CB-CE1 3.54Å; C334-F385 HydrophobicContact CB-CZ 3.9Å; Y335-F385 HydrophobicContact CD1-CE1 4.36Å; Y335-F385 AromaticContact CD1-CZ 3.95Å; Y335-F385 HydrophobicContact CD1-CZ 3.95Å; Y335-F385 HydrophobicContact CE1-CE1 4.05Å; Y335-F385 AromaticContact CE1-CZ 3.95Å; Y335-F385 HydrophobicContact CE1-CZ 3.95Å; V338-F385 HydrophobicContact CG2-CE2 3.87Å; V338-F385 HydrophobicContact CG2-CZ 4.49Å; F352-F385 AromaticContact CE1-CD1 3.79Å; F352-F385 HydrophobicContact CE1-CD1 3.79Å; F352-F385 AromaticContact CE1-CE1 3.87Å; F352-F385 HydrophobicContact CE1-CE1 3.87Å; F352-F385 HydrophobicContact CE2-CE1 4.18Å; F352-F385 AromaticContact CZ-CD1 3.73Å; F352-F385 HydrophobicContact CZ-CD1 3.73Å; F352-F385 AromaticContact CZ-CE1 3.31Å; F352-F385 HydrophobicContact CZ-CE1 3.31Å; F352-F385 AromaticContact CZ-CZ 3.83Å; F352-F385 HydrophobicContact CZ-CZ 3.83Å; L364-F385 HydrophobicContact CD2-CD2 4.06Å; L364-F385 HydrophobicContact CD2-CE2 3.31Å; L364-F385 HydrophobicContact CD2-CZ 3.63Å; T381-F385 HydrophobicContact CG2-CD2 3.92Å; T381-F385 HydrophobicContact CG2-CE2 3.88Å; T381-F385 VanDerWaalsContact O-CD2 3.3Å; T381-F385 WeakPolarHBondContact O-CD2 3.46Å; T381-F385 PolarHBondContact O-N 2.94Å; H382-F385 PolarHBondContact O-N 2.91Å; N383-F385 PolarHBondContact O-N 3.02Å; F385-Q387 VanDerWaalsContact C-N 3.29Å; F385-Q387 PolarHBondContact O-N 3.29Å; F385-V388 PolarHBondContact O-N 3.45Å; F385-G389 PolarHBondContact O-N 3.49Å; F385-V390 HydrophobicContact CB-CB 4.01Å; F385-V390 HydrophobicContact CB-CG2 4.11Å; F385-V390 HydrophobicContact CD1-CG2 4.24Å; F385-V390 WeakPolarHBondContact O-CB 3.43Å; F385-V390 PolarHBondContact O-N 3.23Å; F385-V390 VanDerWaalsContact O-N 3.09Å; F385-L393 HydrophobicContact CB-CD2 4.04Å; F385-L393 HydrophobicContact CD2-CD1 4.31Å; F385-L393 HydrophobicContact CD2-CD2 3.57Å; F385-L393 HydrophobicContact CE2-CD2 4.38Å; F385-L393 HydrophobicContact CG-CD1 4.37Å; F385-L393 HydrophobicContact CG-CD2 4.07Å |
| 386 | T | 92.2 | Very high | 92.9 | Very high | 81 Ų | 81 | 56.1 Ų | 56.1 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 175.5 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | H382 N383 V388 G389 | H382-T386 VanDerWaalsContact O-CB 3.26Å; H382-T386 WeakPolarHBondContact O-CB 3.01Å; H382-T386 PolarHBondContact O-N 3.2Å; H382-T386 PolarHBondContact O-OG1 2.75Å; N383-T386 PolarHBondContact O-N 2.88Å; T386-V388 PolarHBondContact O-N 3.17Å; T386-G389 PolarHBondContact O-N 3.07Å |
| 387 | Q | 90.8 | Very high | 92.9 | Very high | 142 Ų | 142 | 52.8 Ų | 52.8 | 66% | 0.664 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61 | -29.1 | 175.9 | -75.7 | 172.9 | -2.8 | 0 | 0 | 113.4 | N383 I384 F385 G389 | N383-Q387 WeakPolarHBondContact O-CG 3.35Å; N383-Q387 PolarHBondContact O-N 3.07Å; N383-Q387 VanDerWaalsContact O-N 3.09Å; I384-Q387 PolarHBondContact O-N 2.99Å; F385-Q387 VanDerWaalsContact C-N 3.29Å; F385-Q387 PolarHBondContact O-N 3.29Å; Q387-G389 VanDerWaalsContact C-N 3.32Å |
| 388 | V | 88.6 | Confident | 92.9 | Very high | 44 Ų | 44 | 55.5 Ų | 55.5 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 1.9 | 178.8 | -163.5 | 0 | 0 | 0 | 0 | 111.6 | L327 A330 C334 F385 T386 | L327-V388 HydrophobicContact CD2-CB 4.32Å; L327-V388 HydrophobicContact CD2-CG1 3.54Å; L327-V388 WeakPolarHBondContact CD2-O 3.29Å; A330-V388 HydrophobicContact CB-CG1 3.36Å; C334-V388 WeakPolarHBondContact SG-CG2 3.44Å; F385-V388 PolarHBondContact O-N 3.45Å; T386-V388 PolarHBondContact O-N 3.17Å |
| 389 | G | 87.3 | Confident | 92.7 | Very high | 32 Ų | 32 | 57 Ų | 57 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 11.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y360 F385 T386 Q387 R391 | Y360-G389 WeakPolarHBondContact CD2-O 3.37Å; F385-G389 PolarHBondContact O-N 3.49Å; T386-G389 PolarHBondContact O-N 3.07Å; Q387-G389 VanDerWaalsContact C-N 3.32Å; G389-R391 PolarHBondContact O-N 2.98Å |
| 390 | V | 91.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 110.5 | 168.8 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | L327 F352 F385 L393 | L327-V390 HydrophobicContact CD1-CG2 3.78Å; F352-V390 HydrophobicContact CD1-CG2 4.17Å; F352-V390 HydrophobicContact CE1-CG1 4.36Å; F352-V390 HydrophobicContact CE1-CG2 4.03Å; F385-V390 HydrophobicContact CB-CB 4.01Å; F385-V390 HydrophobicContact CB-CG2 4.11Å; F385-V390 HydrophobicContact CD1-CG2 4.24Å; F385-V390 WeakPolarHBondContact O-CB 3.43Å; F385-V390 PolarHBondContact O-N 3.23Å; F385-V390 VanDerWaalsContact O-N 3.09Å; V390-L393 HydrophobicContact CG1-CB 4.32Å; V390-L393 HydrophobicContact CG1-CD1 4.48Å |
| 391 | R | 86.9 | Confident | 91.4 | Very high | 114 Ų | 114 | 57.1 Ų | 57.1 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -34.7 | -176.4 | -79.5 | -178.8 | 174.2 | -135.6 | -7.1 | 112.9 | Q249 Y360 G389 | Q249-R391 PolarHBondContact O-NH2 3.1Å; Y360-R391 PolarHBondContact O-N 2.96Å; G389-R391 PolarHBondContact O-N 2.98Å |
| 392 | Q | 90.1 | Very high | 89.6 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 36% | 0.36 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 114.7 | -175.1 | -166.8 | 163.8 | -22.2 | 0 | 0 | 109.3 | I361 G362 Y394 | I361-Q392 CarbonylContact C-O 3.53Å; I361-Q392 VanDerWaalsContact CA-O 3.28Å; I361-Q392 WeakPolarHBondContact CA-O 3.47Å; I361-Q392 HydrophobicContact CG1-CB 4.23Å; I361-Q392 HydrophobicContact CG2-CB 4.31Å; I361-Q392 WeakPolarHBondContact CG2-O 3.41Å; G362-Q392 PolarHBondContact N-O 3.25Å; Q392-Y394 HydrophobicContact CG-CE2 3.9Å; Q392-Y394 PolarHBondContact NE2-OH 3.09Å |
| 393 | L | 94.1 | Very high | 89.3 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.5 | 179.7 | -175.8 | 72.5 | 0 | 0 | 0 | 109.2 | F352 G362 L364 T381 H382 F385 V390 V395 | F352-L393 HydrophobicContact CE1-CD1 4.01Å; F352-L393 HydrophobicContact CZ-CD1 4.28Å; G362-L393 CarbonylContact O-C 3.11Å; G362-L393 WeakPolarHBondContact O-CA 3.34Å; L364-L393 HydrophobicContact CD2-CD1 3.91Å; L364-L393 HydrophobicContact CD2-CD2 4.37Å; L364-L393 HydrophobicContact CG-CD1 4.41Å; T381-L393 HydrophobicContact CG2-CD2 3.99Å; H382-L393 PolarHBondContact CE1-O 3.07Å; F385-L393 HydrophobicContact CB-CD2 4.04Å; F385-L393 HydrophobicContact CD2-CD1 4.31Å; F385-L393 HydrophobicContact CD2-CD2 3.57Å; F385-L393 HydrophobicContact CE2-CD2 4.38Å; F385-L393 HydrophobicContact CG-CD1 4.37Å; F385-L393 HydrophobicContact CG-CD2 4.07Å; V390-L393 HydrophobicContact CG1-CB 4.32Å; V390-L393 HydrophobicContact CG1-CD1 4.48Å; L393-V395 HydrophobicContact CD2-CG2 3.53Å; L393-V395 HydrophobicContact CG-CG2 3.78Å |
| 394 | Y | 94.3 | Very high | 89 | Confident | 104 Ų | 104 | 68.6 Ų | 68.6 | 41% | 0.408 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 118.4 | 171 | -65.5 | -81.5 | 0 | 0 | 0 | 109.2 | Y98 I361 G362 T363 L364 Q392 | Y98-Y394 HydrophobicContact CE1-CE2 4.41Å; I361-Y394 HydrophobicContact CG2-CD2 4.35Å; I361-Y394 HydrophobicContact CG2-CE2 4.22Å; G362-Y394 PolarHBondContact O-N 3.11Å; T363-Y394 CarbonylContact C-O 3.59Å; T363-Y394 VanDerWaalsContact CA-O 3.27Å; T363-Y394 WeakPolarHBondContact CA-O 3.21Å; L364-Y394 PolarHBondContact N-O 3.03Å; Q392-Y394 HydrophobicContact CG-CE2 3.9Å; Q392-Y394 PolarHBondContact NE2-OH 3.09Å |
| 395 | V | 95.4 | Very high | 88.7 | Confident | 25 Ų | 25 | 71.5 Ų | 71.5 | 15% | 0.152 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.8 | -179.6 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | L364 L366 T381 L393 I397 | L364-V395 HydrophobicContact CD1-CB 4.42Å; L364-V395 HydrophobicContact CD1-CG1 3.84Å; L364-V395 HydrophobicContact CD1-CG2 4.13Å; L364-V395 HydrophobicContact CG-CG2 4.33Å; L364-V395 WeakPolarHBondContact O-CA 3.39Å; L366-V395 HydrophobicContact CD1-CG1 3.68Å; L366-V395 HydrophobicContact CG-CG1 3.95Å; T381-V395 HydrophobicContact CG2-CG2 4Å; L393-V395 HydrophobicContact CD2-CG2 3.53Å; L393-V395 HydrophobicContact CG-CG2 3.78Å; V395-I397 HydrophobicContact CG1-CD1 4.46Å; V395-I397 HydrophobicContact CG1-CG1 3.99Å |
| 396 | Q | 95.5 | Very high | 88.4 | Confident | 93 Ų | 93 | 75.6 Ų | 75.6 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 134 | 166.6 | 177.2 | -179.4 | -21 | 0 | 0 | 108.6 | L364 K365 L366 D398 | L364-Q396 PolarHBondContact O-N 3.01Å; K365-Q396 CarbonylContact C-O 3.57Å; K365-Q396 WeakPolarHBondContact CA-O 3.14Å; K365-Q396 HydrophobicContact CG-CB 4.13Å; L366-Q396 PolarHBondContact N-O 2.98Å; Q396-D398 PolarHBondContact NE2-OD1 3.27Å |
| 397 | I | 93.4 | Very high | 88.2 | Confident | 40 Ų | 40 | 75.3 Ų | 75.3 | 21% | 0.205 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.2 | 179.5 | -59 | 174.3 | 0 | 0 | 0 | 108.8 | V368 T374 L378 V395 | V368-I397 HydrophobicContact CB-CG2 3.97Å; V368-I397 HydrophobicContact CG2-CG2 3.68Å; T374-I397 HydrophobicContact CG2-CB 4.2Å; T374-I397 HydrophobicContact CG2-CD1 3.3Å; T374-I397 HydrophobicContact CG2-CG1 4.31Å; T374-I397 HydrophobicContact CG2-CG2 3.91Å; L378-I397 HydrophobicContact CB-CD1 4.07Å; L378-I397 HydrophobicContact CD1-CD1 3.93Å; L378-I397 HydrophobicContact CG-CD1 4.49Å; V395-I397 HydrophobicContact CG1-CD1 4.46Å; V395-I397 HydrophobicContact CG1-CG1 3.99Å |
| 398 | D | 93.6 | Very high | 88 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 32% | 0.316 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.1 | 174.8 | -64 | -19.9 | 0 | 0 | 0 | 108.1 | L366 L367 V368 Q396 | L366-D398 PolarHBondContact O-N 2.99Å; L367-D398 CarbonylContact C-O 3.59Å; L367-D398 WeakPolarHBondContact CA-O 3.45Å; L367-D398 HydrophobicContact CD1-CB 4.4Å; V368-D398 PolarHBondContact N-O 2.9Å; Q396-D398 PolarHBondContact NE2-OD1 3.27Å |
| 399 | T | 90.9 | Very high | 88 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 60% | 0.595 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 132.9 | 175.6 | 51.3 | 0 | 0 | 0 | 0 | 109.7 | V368 A401 | V368-T399 WeakPolarHBondContact O-CA 3.46Å; T399-A401 PolarHBondContact O-N 3.13Å |
| 400 | A | 85.4 | Confident | 88 | Confident | 22 Ų | 22 | 75.9 Ų | 75.9 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 138.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y345 L367 V368 M402 | Y345-A400 HydrophobicContact CD2-CB 3.86Å; Y345-A400 HydrophobicContact CE2-CB 3.78Å; L367-A400 HydrophobicContact CD1-CB 4.19Å; L367-A400 HydrophobicContact CG-CB 4.43Å; V368-A400 PolarHBondContact O-N 3.18Å; A400-M402 PolarHBondContact O-N 3.12Å |
| 401 | A | 76 | Confident | 87.8 | Confident | 101 Ų | 101 | 82 Ų | 82 | 84% | 0.835 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 129.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | T399 | T399-A401 PolarHBondContact O-N 3.13Š|
| 402 | M | 57.7 | Low | 87.8 | Confident | 239 Ų | 239 | 79.1 Ų | 79.1 | 100% | 1.177 | 43% | 0.43 | S | S | * | . | trans | -58.7 | 0 | 177.2 | -82.2 | -167.8 | -82.9 | 0 | 0 | 112.7 | P370 A400 | P370-M402 HydrophobicContact CB-CG 4.37Å; P370-M402 HydrophobicContact CG-CG 3.9Å; A400-M402 PolarHBondContact O-N 3.12Å |
Retrieved 402 of 402 residues in 563.1 ms
(Link to these results)