| 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 | 43.3 | Very low | 47.5 | Very low | 252 Ų | 252 | 111.7 Ų | 111.7 | 100% | 1.241 | 76% | 0.755 | S | S | * | * | 0 | 65.6 | 0 | -71.4 | -82.1 | -173.1 | 0 | 0 | 109.5 | |||||
| 2 | A | 41.2 | Very low | 47.7 | Very low | 105 Ų | 105 | 115.6 Ų | 115.6 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | trans | -117.6 | 94.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | A | 44.2 | Very low | 47.7 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | -166 | 65 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 4 | S | 52.3 | Low | 48.3 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -151 | -1.4 | 166.6 | -159.9 | 0 | 0 | 0 | 0 | 117.4 | ||
| 5 | A | 51.4 | Low | 48.9 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -100.9 | -7.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 6 | A | 45 | Very low | 49.4 | Very low | 88 Ų | 88 | 127.7 Ų | 127.7 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -84 | -11.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 7 | R | 52.9 | Low | 50.4 | Low | 214 Ų | 214 | 128.2 Ų | 128.2 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -86.3 | -16.5 | -177.1 | -59.4 | -171 | -148.2 | 177.5 | 8.3 | 114.1 | ||
| 8 | G | 47.3 | Very low | 52.1 | Low | 47 Ų | 47 | 123.9 Ų | 123.9 | 49% | 0.485 | 73% | 0.726 | S | S | . | * | H | α-helix | trans | -78.7 | -44.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 9 | A | 48.5 | Very low | 54.1 | Low | 79 Ų | 79 | 118 Ų | 118 | 65% | 0.653 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -82.2 | -27.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | A11 | A9-A11 VanDerWaalsContact C-N 3.33Å |
| 10 | A | 46.6 | Very low | 56 | Low | 70 Ų | 70 | 114.7 Ų | 114.7 | 58% | 0.579 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.2 | -24.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 11 | A | 50.4 | Low | 57.8 | Low | 75 Ų | 75 | 109.3 Ų | 109.3 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.2 | -30.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A9 | A9-A11 VanDerWaalsContact C-N 3.33Å |
| 12 | L | 49.8 | Very low | 60.1 | Low | 158 Ų | 158 | 99.9 Ų | 99.9 | 83% | 0.827 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -84 | -18.7 | -178.5 | -73.2 | 164.8 | 0 | 0 | 0 | 113.4 | ||
| 13 | R | 47.5 | Very low | 62.6 | Low | 233 Ų | 233 | 94.9 Ų | 94.9 | 88% | 0.879 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 1 | -179.4 | -148.8 | 175.7 | -175.2 | -137.1 | 1 | 114.3 | ||
| 14 | R | 56.4 | Low | 65 | Low | 168 Ų | 168 | 96.5 Ų | 96.5 | 63% | 0.634 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -108.8 | 56.6 | -167.5 | -153.8 | -170.9 | -164.6 | 172.6 | 5.7 | 113.7 | Q18 | R14-Q18 WeakPolarHBondContact O-CG 3.45Š|
| 15 | S | 56.4 | Low | 67 | Low | 82 Ų | 82 | 98 Ų | 98 | 57% | 0.573 | 53% | 0.527 | S | S | * | . | trans | 175.5 | 71.3 | 153.9 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 16 | I | 56.7 | Low | 69 | Low | 173 Ų | 173 | 94 Ų | 94 | 89% | 0.887 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -88.9 | -20.2 | 146.6 | -58.1 | 174.1 | 0 | 0 | 0 | 109.3 | ||
| 17 | N | 67.4 | Low | 71.3 | Confident | 137 Ų | 137 | 90.4 Ų | 90.4 | 73% | 0.733 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -124.9 | 38.5 | 179.5 | -60.9 | -32.4 | 0 | 0 | 0 | 113.2 | ||
| 18 | Q | 80.1 | Confident | 73.1 | Confident | 50 Ų | 50 | 88 Ų | 88 | 23% | 0.234 | 45% | 0.453 | C | S | . | . | trans | -93.8 | 135 | 168.2 | -71.4 | -67.5 | -56 | 0 | 0 | 108.6 | R14 V20 | R14-Q18 WeakPolarHBondContact O-CG 3.45Å; Q18-V20 VanDerWaalsContact C-N 3.28Å; Q18-V20 HydrophobicContact CB-CG2 3.88Å; Q18-V20 PolarHBondContact O-N 3.15Å | ||
| 19 | P | 91.3 | Very high | 75.2 | Confident | 12 Ų | 12 | 89.3 Ų | 89.3 | 8% | 0.078 | 45% | 0.452 | C | S | . | . | trans | -74.7 | 85.3 | 179.8 | 31.5 | -34.6 | 0 | 0 | 0 | 109.4 | F67 S69 E70 L73 | P19-F67 HydrophobicContact CB-CB 4.3Å; P19-F67 HydrophobicContact CG-CB 4.25Å; P19-F67 WeakPolarHBondContact CG-O 3.33Å; P19-F67 PolarHBondContact O-N 3.26Å; P19-S69 VanDerWaalsContact CB-O 3.29Å; P19-S69 WeakPolarHBondContact CB-O 3.41Å; P19-S69 WeakPolarHBondContact CG-O 3.41Å; P19-E70 HydrophobicContact CB-CG 4.33Å; P19-L73 HydrophobicContact CB-CB 3.85Å; P19-L73 HydrophobicContact CB-CD2 4.08Å | ||
| 20 | V | 92.1 | Very high | 77.3 | Confident | 52 Ų | 52 | 85.7 Ų | 85.7 | 32% | 0.315 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.8 | -177.4 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | Q18 W64 V65 Q66 | Q18-V20 VanDerWaalsContact C-N 3.28Å; Q18-V20 HydrophobicContact CB-CG2 3.88Å; Q18-V20 PolarHBondContact O-N 3.15Å; V20-W64 HydrophobicContact CG1-CB 3.89Å; V20-W64 HydrophobicContact CG1-CG 4.29Å; V20-V65 CarbonylContact C-O 3.57Å; V20-V65 WeakPolarHBondContact CA-O 3.38Å; V20-Q66 HydrophobicContact CG2-CB 4.11Å; V20-Q66 HydrophobicContact CG2-CG 4.03Å |
| 21 | A | 92.4 | Very high | 79.4 | Confident | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.008 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 135.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | W64 V65 F67 L73 | A21-W64 WeakPolarHBondContact O-CA 3.45Å; A21-V65 HydrophobicContact CB-CB 4.44Å; A21-V65 PolarHBondContact N-O 3.27Å; A21-V65 PolarHBondContact O-N 3.33Å; A21-F67 HydrophobicContact CB-CE2 4.19Å; A21-L73 HydrophobicContact CB-CD1 3.55Å |
| 22 | F | 93.3 | Very high | 81.4 | Confident | 55 Ų | 55 | 83.1 Ų | 83.1 | 24% | 0.241 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.3 | 166.9 | -178 | -123.1 | 0 | 0 | 0 | 109.9 | R24 L62 G63 W64 F91 F92 | F22-R24 HydrophobicContact CD1-CG 4.01Å; F22-R24 HydrophobicContact CE1-CG 3.38Å; F22-R24 HydrophobicContact CZ-CG 3.72Å; F22-L62 HydrophobicContact CE2-CB 4.31Å; F22-L62 HydrophobicContact CE2-CD1 4.28Å; F22-L62 HydrophobicContact CZ-CB 4.3Å; F22-G63 WeakPolarHBondContact CD2-O 2.97Å; F22-W64 AromaticContact CD2-CD1 3.81Å; F22-W64 HydrophobicContact CD2-CD2 4.22Å; F22-W64 AromaticContact CD2-CE2 3.63Å; F22-W64 HydrophobicContact CD2-CG 4.33Å; F22-W64 HydrophobicContact CD2-CZ2 4.06Å; F22-W64 AromaticContact CD2-NE1 3.35Å; F22-W64 HydrophobicContact CE2-CD2 4.47Å; F22-W64 AromaticContact CE2-CE2 3.77Å; F22-W64 HydrophobicContact CE2-CH2 4.38Å; F22-W64 AromaticContact CE2-CZ2 3.72Å; F22-W64 HydrophobicContact CE2-CZ2 3.72Å; F22-W64 AromaticContact CE2-NE1 3.95Å; F22-F91 WeakPolarHBondContact O-CA 3.43Å; F22-F92 HydrophobicContact CD1-CB 4.13Å; F22-F92 HydrophobicContact CD1-CD2 4.14Å; F22-F92 HydrophobicContact CD1-CG 4.49Å; F22-F92 PolarHBondContact N-O 2.87Å; F22-F92 PolarHBondContact O-N 3.48Å; F22-F92 VanDerWaalsContact O-N 3.09Å |
| 23 | V | 93.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.5 | -176 | -168.2 | 0 | 0 | 0 | 0 | 109.2 | I26 F39 L62 G63 V65 C89 L90 F91 | V23-I26 HydrophobicContact CB-CD1 4.09Å; V23-I26 HydrophobicContact CB-CG1 4.37Å; V23-I26 HydrophobicContact CG1-CD1 4.02Å; V23-I26 HydrophobicContact CG1-CG1 3.77Å; V23-F39 HydrophobicContact CG1-CZ 4.49Å; V23-F39 HydrophobicContact CG2-CE2 4.27Å; V23-F39 HydrophobicContact CG2-CZ 3.99Å; V23-L62 CarbonylContact O-C 3.44Å; V23-L62 WeakPolarHBondContact O-CA 3.43Å; V23-G63 PolarHBondContact N-O 2.82Å; V23-G63 PolarHBondContact O-N 3.45Å; V23-V65 HydrophobicContact CG2-CG2 3.92Å; V23-C89 HydrophobicContact CG1-CB 3.95Å; V23-L90 CarbonylContact C-O 3.47Å; V23-L90 WeakPolarHBondContact CA-O 3.34Å; V23-F91 HydrophobicContact CB-CE1 4.4Å; V23-F91 HydrophobicContact CG1-CE1 4.08Å; V23-F91 HydrophobicContact CG1-CE2 4.35Å; V23-F91 HydrophobicContact CG1-CZ 3.89Å; V23-F91 HydrophobicContact CG2-CD1 4.03Å; V23-F91 HydrophobicContact CG2-CE1 3.59Å; V23-F91 HydrophobicContact CG2-CZ 4.24Å |
| 24 | R | 93.8 | Very high | 85.6 | Confident | 127 Ų | 127 | 70.3 Ų | 70.3 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 167.8 | 175.2 | -61.3 | -174 | 80.2 | -173.5 | -1.2 | 110.7 | F22 I26 G61 L90 F92 | F22-R24 HydrophobicContact CD1-CG 4.01Å; F22-R24 HydrophobicContact CE1-CG 3.38Å; F22-R24 HydrophobicContact CZ-CG 3.72Å; R24-I26 PolarHBondContact O-N 2.94Å; R24-G61 CarbonylContact C-O 3.55Å; R24-L90 HydrophobicContact CB-CB 4.31Å; R24-L90 PolarHBondContact N-O 3.4Å; R24-L90 PolarHBondContact O-N 2.87Å; R24-F92 HydrophobicContact CG-CD2 4.32Å; R24-F92 HydrophobicContact CG-CE2 4.24Å |
| 25 | R | 94.1 | Very high | 87.4 | Confident | 145 Ų | 145 | 62.4 Ų | 62.4 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | trans | 60.6 | 35.7 | 180 | -159 | 176.4 | -178.1 | -98.2 | -0.1 | 112 | G61 V87 K88 L90 | R25-G61 PolarHBondContact N-O 2.83Å; R25-V87 HydrophobicContact CG-CG1 4.38Å; R25-V87 WeakPolarHBondContact O-CG1 3.3Å; R25-K88 PolarHBondContact NH1-O 3.29Å; R25-L90 HydrophobicContact CB-CD1 4.49Å; R25-L90 HydrophobicContact CB-CG 4.33Å | ||
| 26 | I | 94.2 | Very high | 89.2 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | trans | -73.2 | 128.1 | 175.1 | -55.4 | 167.7 | 0 | 0 | 0 | 107.3 | V23 R24 W28 A30 L35 L50 G61 L62 | V23-I26 HydrophobicContact CB-CD1 4.09Å; V23-I26 HydrophobicContact CB-CG1 4.37Å; V23-I26 HydrophobicContact CG1-CD1 4.02Å; V23-I26 HydrophobicContact CG1-CG1 3.77Å; R24-I26 PolarHBondContact O-N 2.94Å; I26-W28 PolarHBondContact O-N 3.4Å; I26-A30 HydrophobicContact CG2-CB 4.01Å; I26-L35 HydrophobicContact CD1-CD2 3.86Å; I26-L35 HydrophobicContact CG2-CD1 3.89Å; I26-L50 HydrophobicContact CD1-CD2 3.49Å; I26-L50 VanDerWaalsContact CD1-CD2 3.49Å; I26-L50 HydrophobicContact CG2-CD2 4.39Å; I26-G61 PolarHBondContact N-O 3.5Å; I26-G61 WeakPolarHBondContact O-CA 3.24Å; I26-L62 VanDerWaalsContact CD1-C 3.45Å | ||
| 27 | P | 93.3 | Very high | 91 | Very high | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | trans | -60.4 | 138.2 | 176.5 | 24.8 | -32.1 | 0 | 0 | 0 | 109.9 | T29 A30 H59 I84 D85 V87 | P27-T29 PolarHBondContact O-N 3.34Å; P27-T29 VanDerWaalsContact O-N 3.07Å; P27-A30 HydrophobicContact CG-CB 3.78Å; P27-A30 WeakPolarHBondContact O-CB 3.31Å; P27-A30 PolarHBondContact O-N 3.21Å; P27-H59 PolarHBondContact O-CE1 3.05Å; P27-H59 PolarHBondContact O-NE2 3.4Å; P27-I84 HydrophobicContact CG-CB 4.45Å; P27-I84 HydrophobicContact CG-CG2 4.28Å; P27-I84 WeakPolarHBondContact CG-O 3.47Å; P27-D85 HydrophobicContact CG-CB 4.14Å; P27-V87 HydrophobicContact CB-CB 4.11Å; P27-V87 HydrophobicContact CB-CG2 3.87Å; P27-V87 HydrophobicContact CG-CB 4.11Å; P27-V87 HydrophobicContact CG-CG2 4.34Å | ||
| 28 | W | 90.3 | Very high | 92.3 | Very high | 164 Ų | 164 | 57.5 Ų | 57.5 | 62% | 0.621 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16 | -176.8 | 60.8 | -91 | 0 | 0 | 0 | 113.9 | I26 A30 F58 H59 | I26-W28 PolarHBondContact O-N 3.4Å; W28-A30 VanDerWaalsContact C-N 3.33Å; W28-F58 AromaticContact CE3-CD1 3.79Å; W28-F58 HydrophobicContact CE3-CD1 3.79Å; W28-F58 AromaticContact CE3-CE1 3.52Å; W28-F58 HydrophobicContact CE3-CE1 3.52Å; W28-F58 HydrophobicContact CE3-CG 4.47Å; W28-F58 AromaticContact CE3-CZ 3.98Å; W28-F58 HydrophobicContact CE3-CZ 3.98Å; W28-F58 HydrophobicContact CZ3-CD1 4.44Å; W28-F58 AromaticContact CZ3-CE1 3.71Å; W28-F58 HydrophobicContact CZ3-CE1 3.71Å; W28-F58 AromaticContact CZ3-CZ 3.93Å; W28-F58 HydrophobicContact CZ3-CZ 3.93Å; W28-H59 WeakPolarHBondContact CA-NE2 3.37Å; W28-H59 PolarHBondContact O-NE2 3.1Å |
| 29 | T | 90.8 | Very high | 93 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -17.4 | 173.6 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | P27 D85 | P27-T29 PolarHBondContact O-N 3.34Å; P27-T29 VanDerWaalsContact O-N 3.07Å; T29-D85 PolarHBondContact OG1-OD2 2.9Å |
| 30 | A | 92.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | trans | -86.9 | 126.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I26 P27 W28 L35 H59 I84 | I26-A30 HydrophobicContact CG2-CB 4.01Å; P27-A30 HydrophobicContact CG-CB 3.78Å; P27-A30 WeakPolarHBondContact O-CB 3.31Å; P27-A30 PolarHBondContact O-N 3.21Å; W28-A30 VanDerWaalsContact C-N 3.33Å; A30-L35 HydrophobicContact CB-CD1 4.13Å; A30-H59 PolarHBondContact O-CD2 3.41Å; A30-H59 VanDerWaalsContact O-CD2 3.25Å; A30-H59 PolarHBondContact O-NE2 3.22Å; A30-I84 HydrophobicContact CB-CG2 3.82Å | ||
| 31 | A | 91.8 | Very high | 93.4 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | trans | -89.1 | 166.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | S33 Q34 L35 | A31-S33 PolarHBondContact O-N 3.41Å; A31-Q34 PolarHBondContact O-N 2.83Å; A31-L35 WeakPolarHBondContact O-CD1 3.31Å; A31-L35 PolarHBondContact O-N 3.16Å | ||
| 32 | S | 91.7 | Very high | 93.5 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 37% | 0.371 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.8 | -26.5 | 177.1 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | K36 L50 | S32-K36 WeakPolarHBondContact O-CB 3.41Å; S32-K36 PolarHBondContact O-N 3.09Å; S32-L50 VanDerWaalsContact CA-CD1 3.45Å |
| 33 | S | 92.8 | Very high | 93.6 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 43% | 0.427 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.5 | -49.3 | 172.9 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | A31 L35 K36 E37 | A31-S33 PolarHBondContact O-N 3.41Å; S33-L35 VanDerWaalsContact C-N 3.32Å; S33-L35 PolarHBondContact O-N 3.35Å; S33-K36 WeakPolarHBondContact O-CA 3.03Å; S33-K36 WeakPolarHBondContact O-CB 3.41Å; S33-K36 PolarHBondContact O-N 2.84Å; S33-E37 WeakPolarHBondContact O-CG 3.43Å; S33-E37 PolarHBondContact O-N 3.48Å |
| 34 | Q | 93.6 | Very high | 93.7 | Very high | 61 Ų | 61 | 67 Ų | 67 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62 | -40 | 177.4 | -72.7 | 167.2 | -64.6 | 0 | 0 | 111.5 | A31 E37 H38 D85 | A31-Q34 PolarHBondContact O-N 2.83Å; Q34-E37 PolarHBondContact O-N 3.47Å; Q34-H38 VanDerWaalsContact O-CB 3.31Å; Q34-H38 WeakPolarHBondContact O-CB 3.37Å; Q34-H38 PolarHBondContact O-N 3.4Å; Q34-D85 PolarHBondContact NE2-OD1 2.97Å |
| 35 | L | 93.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 171.4 | -89.5 | 75.2 | 0 | 0 | 0 | 110.7 | I26 A30 A31 S33 E37 H38 F39 L50 V65 I84 | I26-L35 HydrophobicContact CD1-CD2 3.86Å; I26-L35 HydrophobicContact CG2-CD1 3.89Å; A30-L35 HydrophobicContact CB-CD1 4.13Å; A31-L35 WeakPolarHBondContact O-CD1 3.31Å; A31-L35 PolarHBondContact O-N 3.16Å; S33-L35 VanDerWaalsContact C-N 3.32Å; S33-L35 PolarHBondContact O-N 3.35Å; L35-E37 VanDerWaalsContact C-N 3.32Å; L35-E37 PolarHBondContact O-N 3.5Å; L35-H38 PolarHBondContact O-N 3Å; L35-F39 HydrophobicContact CB-CD2 4.15Å; L35-F39 HydrophobicContact CB-CE2 4.11Å; L35-F39 HydrophobicContact CD2-CE2 4.18Å; L35-F39 HydrophobicContact CG-CE2 4Å; L35-F39 WeakPolarHBondContact O-CB 3.48Å; L35-F39 WeakPolarHBondContact O-CD2 2.94Å; L35-F39 PolarHBondContact O-N 3.32Å; L35-L50 HydrophobicContact CD1-CD1 4.36Å; L35-L50 HydrophobicContact CD2-CD2 4.1Å; L35-V65 HydrophobicContact CD2-CG2 4.33Å; L35-I84 HydrophobicContact CD1-CD1 4.07Å; L35-I84 HydrophobicContact CG-CD1 3.98Å |
| 36 | K | 94.4 | Very high | 93.8 | Very high | 104 Ų | 104 | 60.5 Ų | 60.5 | 45% | 0.452 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | -179.4 | -171.9 | -177.9 | 179.2 | -175.4 | 0 | 111.7 | S32 S33 F39 A40 V45 | S32-K36 WeakPolarHBondContact O-CB 3.41Å; S32-K36 PolarHBondContact O-N 3.09Å; S33-K36 WeakPolarHBondContact O-CA 3.03Å; S33-K36 WeakPolarHBondContact O-CB 3.41Å; S33-K36 PolarHBondContact O-N 2.84Å; K36-F39 PolarHBondContact O-N 2.85Å; K36-A40 WeakPolarHBondContact O-CB 3.3Å; K36-A40 PolarHBondContact O-N 3.29Å; K36-V45 HydrophobicContact CG-CB 3.99Å; K36-V45 HydrophobicContact CG-CG1 3.96Å |
| 37 | E | 95.3 | Very high | 93.6 | Very high | 142 Ų | 142 | 67.4 Ų | 67.4 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.7 | -48.1 | 176.9 | -74.7 | 167.4 | -161.9 | 0 | 0 | 111.2 | S33 Q34 L35 F39 A40 | S33-E37 WeakPolarHBondContact O-CG 3.43Å; S33-E37 PolarHBondContact O-N 3.48Å; Q34-E37 PolarHBondContact O-N 3.47Å; L35-E37 VanDerWaalsContact C-N 3.32Å; L35-E37 PolarHBondContact O-N 3.5Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 2.76Å; E37-A40 WeakPolarHBondContact O-CB 3.44Å; E37-A40 PolarHBondContact O-N 3.46Å |
| 38 | H | 94.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 67.9 Ų | 67.9 | 20% | 0.204 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 176.6 | -175.9 | 73.5 | 0 | 0 | 0 | 111.9 | Q34 L35 Q41 H82 I84 | Q34-H38 VanDerWaalsContact O-CB 3.31Å; Q34-H38 WeakPolarHBondContact O-CB 3.37Å; Q34-H38 PolarHBondContact O-N 3.4Å; L35-H38 PolarHBondContact O-N 3Å; H38-Q41 PolarHBondContact CE1-NE2 3.41Å; H38-Q41 PolarHBondContact ND1-NE2 2.94Å; H38-Q41 VanDerWaalsContact O-CG 3.24Å; H38-Q41 WeakPolarHBondContact O-CG 3.35Å; H38-Q41 PolarHBondContact O-NE2 3.05Å; H38-H82 AromaticContact NE2-CG 3.87Å; H38-H82 AromaticContact NE2-ND1 3.4Å; H38-H82 PolarHBondContact NE2-ND1 3.17Å; H38-I84 HydrophobicContact CB-CD1 4.47Å |
| 39 | F | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -80.8 | -15.2 | -177.2 | -68.6 | -63.8 | 0 | 0 | 0 | 114.1 | V23 L35 K36 E37 Q41 F42 G43 V45 V65 F67 A76 H82 I84 F91 | V23-F39 HydrophobicContact CG1-CZ 4.49Å; V23-F39 HydrophobicContact CG2-CE2 4.27Å; V23-F39 HydrophobicContact CG2-CZ 3.99Å; L35-F39 HydrophobicContact CB-CD2 4.15Å; L35-F39 HydrophobicContact CB-CE2 4.11Å; L35-F39 HydrophobicContact CD2-CE2 4.18Å; L35-F39 HydrophobicContact CG-CE2 4Å; L35-F39 WeakPolarHBondContact O-CB 3.48Å; L35-F39 WeakPolarHBondContact O-CD2 2.94Å; L35-F39 PolarHBondContact O-N 3.32Å; K36-F39 PolarHBondContact O-N 2.85Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 2.76Å; F39-Q41 PolarHBondContact O-N 3.46Å; F39-Q41 VanDerWaalsContact O-N 3.15Å; F39-F42 AromaticContact CD1-CD2 3.91Å; F39-F42 HydrophobicContact CD1-CD2 3.91Å; F39-F42 HydrophobicContact CD1-CE2 4.07Å; F39-F42 PolarHBondContact O-N 3.22Å; F39-G43 PolarHBondContact O-N 2.9Å; F39-V45 HydrophobicContact CB-CG2 3.63Å; F39-V65 HydrophobicContact CB-CG1 3.94Å; F39-V65 HydrophobicContact CD2-CB 4.23Å; F39-V65 HydrophobicContact CD2-CG1 3.82Å; F39-V65 HydrophobicContact CD2-CG2 3.55Å; F39-V65 HydrophobicContact CE2-CG2 3.6Å; F39-V65 HydrophobicContact CG-CG1 3.93Å; F39-V65 HydrophobicContact CG-CG2 4.37Å; F39-V65 HydrophobicContact CZ-CG2 4.4Å; F39-F67 HydrophobicContact CB-CE1 4.14Å; F39-F67 HydrophobicContact CB-CZ 3.87Å; F39-F67 HydrophobicContact CD1-CZ 4.16Å; F39-F67 HydrophobicContact CG-CZ 4.24Å; F39-A76 HydrophobicContact CD1-CB 4.47Å; F39-H82 AromaticContact CE1-CE1 3.94Å; F39-H82 AromaticContact CE1-ND1 3.68Å; F39-I84 HydrophobicContact CE2-CD1 4.49Å; F39-F91 AromaticContact CE1-CE1 3.31Å; F39-F91 HydrophobicContact CE1-CE1 3.31Å; F39-F91 AromaticContact CE1-CZ 3.53Å; F39-F91 HydrophobicContact CE1-CZ 3.53Å; F39-F91 AromaticContact CZ-CE1 3.38Å; F39-F91 HydrophobicContact CZ-CE1 3.38Å; F39-F91 AromaticContact CZ-CZ 3.42Å; F39-F91 HydrophobicContact CZ-CZ 3.42Å; F39-F91 VanDerWaalsContact CZ-CZ 3.42Å |
| 40 | A | 95.3 | Very high | 93.8 | Very high | 56 Ų | 56 | 60.4 Ų | 60.4 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.1 | -24.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K36 E37 F42 G43 | K36-A40 WeakPolarHBondContact O-CB 3.3Å; K36-A40 PolarHBondContact O-N 3.29Å; E37-A40 WeakPolarHBondContact O-CB 3.44Å; E37-A40 PolarHBondContact O-N 3.46Å; A40-F42 VanDerWaalsContact C-N 3.27Å; A40-F42 PolarHBondContact O-N 2.84Å; A40-G43 WeakPolarHBondContact CA-O 3.47Å; A40-G43 PolarHBondContact O-N 3.4Å |
| 41 | Q | 95.6 | Very high | 93.7 | Very high | 129 Ų | 129 | 62 Ų | 62 | 60% | 0.603 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.9 | 176.1 | 77.5 | -169.6 | -58.4 | 0 | 0 | 113.5 | H38 F39 | H38-Q41 PolarHBondContact CE1-NE2 3.41Å; H38-Q41 PolarHBondContact ND1-NE2 2.94Å; H38-Q41 VanDerWaalsContact O-CG 3.24Å; H38-Q41 WeakPolarHBondContact O-CG 3.35Å; H38-Q41 PolarHBondContact O-NE2 3.05Å; F39-Q41 PolarHBondContact O-N 3.46Å; F39-Q41 VanDerWaalsContact O-N 3.15Å |
| 42 | F | 95.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 66.2 Ų | 66.2 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -23.5 | -179.9 | -53.5 | -69.8 | 0 | 0 | 0 | 112 | F39 A40 F67 G72 N75 A76 Q79 H82 | F39-F42 AromaticContact CD1-CD2 3.91Å; F39-F42 HydrophobicContact CD1-CD2 3.91Å; F39-F42 HydrophobicContact CD1-CE2 4.07Å; F39-F42 PolarHBondContact O-N 3.22Å; A40-F42 VanDerWaalsContact C-N 3.27Å; A40-F42 PolarHBondContact O-N 2.84Å; F42-F67 HydrophobicContact CB-CE1 4.26Å; F42-G72 VanDerWaalsContact O-CA 3.31Å; F42-G72 WeakPolarHBondContact O-CA 3.41Å; F42-N75 HydrophobicContact CB-CB 3.93Å; F42-N75 HydrophobicContact CD1-CB 4.29Å; F42-N75 PolarHBondContact O-ND2 3.17Å; F42-A76 HydrophobicContact CB-CB 4.07Å; F42-A76 HydrophobicContact CD2-CB 4.02Å; F42-A76 HydrophobicContact CG-CB 3.99Å; F42-Q79 HydrophobicContact CE1-CB 3.95Å; F42-Q79 HydrophobicContact CE1-CG 4.15Å; F42-Q79 HydrophobicContact CZ-CB 4.16Å; F42-Q79 HydrophobicContact CZ-CG 4.02Å; F42-H82 AromaticContact CE2-CE1 3.51Å; F42-H82 AromaticContact CE2-ND1 3.54Å; F42-H82 AromaticContact CZ-CE1 3.57Å; F42-H82 AromaticContact CZ-ND1 3.69Å |
| 43 | G | 95.2 | Very high | 93.6 | Very high | 20 Ų | 20 | 66.1 Ų | 66.1 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 166.6 | 175.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | F39 A40 V45 | F39-G43 PolarHBondContact O-N 2.9Å; A40-G43 WeakPolarHBondContact CA-O 3.47Å; A40-G43 PolarHBondContact O-N 3.4Å; G43-V45 PolarHBondContact O-N 2.85Å; G43-V45 VanDerWaalsContact O-N 3.1Å |
| 44 | H | 96 | Very high | 93.5 | Very high | 137 Ų | 137 | 73 Ų | 73 | 63% | 0.634 | 35% | 0.346 | S | S | * | . | trans | -68.3 | 111.9 | -178.4 | -173.7 | 58.4 | 0 | 0 | 0 | 112.1 | F67 S68 | H44-F67 CarbonylContact O-C 3.59Å; H44-S68 PolarHBondContact CD2-OG 3.01Å; H44-S68 WeakPolarHBondContact O-CB 3.35Å; H44-S68 PolarHBondContact O-N 3.18Å; H44-S68 PolarHBondContact O-OG 2.69Å | ||
| 45 | V | 95.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.5 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | K36 F39 G43 C48 V65 Q66 F67 | K36-V45 HydrophobicContact CG-CB 3.99Å; K36-V45 HydrophobicContact CG-CG1 3.96Å; F39-V45 HydrophobicContact CB-CG2 3.63Å; G43-V45 PolarHBondContact O-N 2.85Å; G43-V45 VanDerWaalsContact O-N 3.1Å; V45-C48 VanDerWaalsContact CG1-SG 3.58Å; V45-V65 HydrophobicContact CG1-CG1 3.79Å; V45-V65 HydrophobicContact CG2-CG1 4.16Å; V45-Q66 CarbonylContact C-O 3.59Å; V45-F67 HydrophobicContact CG2-CD1 4.16Å; V45-F67 HydrophobicContact CG2-CE1 3.88Å |
| 46 | R | 93.7 | Very high | 93.2 | Very high | 132 Ų | 132 | 82.8 Ų | 82.8 | 50% | 0.498 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -44.8 | 176.8 | -59.7 | -170.5 | 79.4 | 171.4 | 9.5 | 112 | Q66 S68 | R46-Q66 HydrophobicContact CB-CG 4.29Å; R46-Q66 PolarHBondContact N-O 2.99Å; R46-S68 WeakPolarHBondContact CG-OG 3.32Å |
| 47 | R | 89.9 | Confident | 92.9 | Very high | 152 Ų | 152 | 80.2 Ų | 80.2 | 57% | 0.574 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 138.6 | -171.3 | -167.9 | 175.7 | -178.2 | 177.8 | 0.1 | 111.2 | I49 Q66 | R47-I49 HydrophobicContact CG-CG1 4.05Å; R47-Q66 HydrophobicContact CB-CB 4.23Å; R47-Q66 PolarHBondContact N-O 3.24Å; R47-Q66 PolarHBondContact O-N 2.86Å |
| 48 | C | 93 | Very high | 92.6 | Very high | 22 Ų | 22 | 78.1 Ų | 78.1 | 15% | 0.149 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 134.4 | 166 | -64.6 | 0 | 0 | 0 | 0 | 108.7 | V45 W64 | V45-C48 VanDerWaalsContact CG1-SG 3.58Å; C48-W64 CarbonylContact C-O 3.55Å; C48-W64 WeakPolarHBondContact CA-O 3.46Å |
| 49 | I | 91.9 | Very high | 92.5 | Very high | 70 Ų | 70 | 76.6 Ų | 76.6 | 36% | 0.359 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 119.6 | 177.3 | -55.9 | 175.9 | 0 | 0 | 0 | 108.3 | R47 G63 W64 | R47-I49 HydrophobicContact CG-CG1 4.05Å; I49-G63 CarbonylContact O-C 3.47Å; I49-G63 WeakPolarHBondContact O-CA 3.36Å; I49-W64 HydrophobicContact CB-CE3 4.37Å; I49-W64 HydrophobicContact CG2-CE3 4.26Å; I49-W64 PolarHBondContact N-O 3.11Å; I49-W64 PolarHBondContact O-N 3.16Å |
| 50 | L | 93.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 84.6 Ų | 84.6 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | trans | -119.2 | 107.1 | 173.2 | -74.1 | 166.1 | 0 | 0 | 0 | 107.6 | I26 S32 L35 F52 H59 L62 | I26-L50 HydrophobicContact CD1-CD2 3.49Å; I26-L50 VanDerWaalsContact CD1-CD2 3.49Å; I26-L50 HydrophobicContact CG2-CD2 4.39Å; S32-L50 VanDerWaalsContact CA-CD1 3.45Å; L35-L50 HydrophobicContact CD1-CD1 4.36Å; L35-L50 HydrophobicContact CD2-CD2 4.1Å; L50-F52 HydrophobicContact CB-CE2 4.33Å; L50-F52 WeakPolarHBondContact O-CD2 3.47Å; L50-F52 VanDerWaalsContact O-CE2 3.31Å; L50-F52 WeakPolarHBondContact O-CE2 3.46Å; L50-F52 PolarHBondContact O-N 3.22Å; L50-H59 HydrophobicContact CB-CB 4.06Å; L50-L62 WeakPolarHBondContact CD2-O 3.36Å | ||
| 51 | P | 90.6 | Very high | 92.2 | Very high | 36 Ų | 36 | 82.8 Ų | 82.8 | 23% | 0.234 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 125.8 | 174.6 | 25.2 | -31.9 | 0 | 0 | 0 | 110.3 | H59 R60 L62 W64 | P51-H59 VanDerWaalsContact O-CA 3.3Å; P51-H59 WeakPolarHBondContact O-CA 3.43Å; P51-R60 PolarHBondContact O-N 3.35Å; P51-L62 WeakPolarHBondContact CD-O 3.21Å; P51-L62 HydrophobicContact CG-CD1 3.36Å; P51-L62 HydrophobicContact CG-CG 4.22Å; P51-W64 HydrophobicContact CG-CZ3 3.93Å |
| 52 | F | 90.6 | Very high | 92.1 | Very high | 126 Ų | 126 | 78.3 Ų | 78.3 | 55% | 0.553 | 38% | 0.379 | S | S | * | . | B | Isolated β-bridge | trans | -87 | 141.5 | 175.1 | -70.5 | -93.5 | 0 | 0 | 0 | 111.4 | L50 G57 H59 | L50-F52 HydrophobicContact CB-CE2 4.33Å; L50-F52 WeakPolarHBondContact O-CD2 3.47Å; L50-F52 VanDerWaalsContact O-CE2 3.31Å; L50-F52 WeakPolarHBondContact O-CE2 3.46Å; L50-F52 PolarHBondContact O-N 3.22Å; F52-G57 WeakPolarHBondContact CD1-O 3.48Å; F52-H59 HydrophobicContact CD1-CB 4.21Å; F52-H59 HydrophobicContact CE1-CB 4.19Å; F52-H59 HydrophobicContact CZ-CB 4.49Å |
| 53 | D | 90.1 | Very high | 92 | Very high | 51 Ų | 51 | 77 Ų | 77 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 127.2 | 163.9 | -169.9 | -40.4 | 0 | 0 | 0 | 108.4 | E55 T56 G57 F58 R60 | D53-E55 VanDerWaalsContact C-N 3.33Å; D53-E55 PolarHBondContact OD1-N 3.41Å; D53-T56 WeakPolarHBondContact CB-OG1 3.29Å; D53-T56 PolarHBondContact OD1-N 2.87Å; D53-G57 WeakPolarHBondContact O-CA 3.41Å; D53-G57 PolarHBondContact O-N 3.34Å; D53-F58 WeakPolarHBondContact CB-O 3.39Å; D53-F58 PolarHBondContact N-O 3.17Å; D53-R60 HydrophobicContact CB-CG 4.27Å |
| 54 | K | 90.8 | Very high | 92 | Very high | 207 Ų | 207 | 81 Ų | 81 | 90% | 0.9 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -23.8 | -176.2 | -66 | -175.8 | 179.2 | -176.6 | 0 | 112.7 | ||
| 55 | E | 91.5 | Very high | 91.9 | Very high | 185 Ų | 185 | 74.5 Ų | 74.5 | 86% | 0.864 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -44.3 | -178.1 | -59.2 | -172.4 | 126.6 | 0 | 0 | 110.5 | D53 | D53-E55 VanDerWaalsContact C-N 3.33Å; D53-E55 PolarHBondContact OD1-N 3.41Å |
| 56 | T | 89.5 | Confident | 91.8 | Very high | 81 Ų | 81 | 76.4 Ų | 76.4 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -21 | -177.7 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | D53 F58 | D53-T56 WeakPolarHBondContact CB-OG1 3.29Å; D53-T56 PolarHBondContact OD1-N 2.87Å; T56-F58 WeakPolarHBondContact O-CD2 3.17Å; T56-F58 PolarHBondContact O-N 3.17Å; T56-F58 PolarHBondContact OG1-N 3.47Å |
| 57 | G | 88.4 | Confident | 91.9 | Very high | 50 Ų | 50 | 70.2 Ų | 70.2 | 52% | 0.515 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 75.6 | -2.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F52 D53 | F52-G57 WeakPolarHBondContact CD1-O 3.48Å; D53-G57 WeakPolarHBondContact O-CA 3.41Å; D53-G57 PolarHBondContact O-N 3.34Å |
| 58 | F | 89.5 | Confident | 92 | Very high | 98 Ų | 98 | 65.7 Ų | 65.7 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -98.2 | 158.3 | 179 | -62.8 | -68.1 | 0 | 0 | 0 | 112 | W28 D53 T56 | W28-F58 AromaticContact CE3-CD1 3.79Å; W28-F58 HydrophobicContact CE3-CD1 3.79Å; W28-F58 AromaticContact CE3-CE1 3.52Å; W28-F58 HydrophobicContact CE3-CE1 3.52Å; W28-F58 HydrophobicContact CE3-CG 4.47Å; W28-F58 AromaticContact CE3-CZ 3.98Å; W28-F58 HydrophobicContact CE3-CZ 3.98Å; W28-F58 HydrophobicContact CZ3-CD1 4.44Å; W28-F58 AromaticContact CZ3-CE1 3.71Å; W28-F58 HydrophobicContact CZ3-CE1 3.71Å; W28-F58 AromaticContact CZ3-CZ 3.93Å; W28-F58 HydrophobicContact CZ3-CZ 3.93Å; D53-F58 WeakPolarHBondContact CB-O 3.39Å; D53-F58 PolarHBondContact N-O 3.17Å; T56-F58 WeakPolarHBondContact O-CD2 3.17Å; T56-F58 PolarHBondContact O-N 3.17Å; T56-F58 PolarHBondContact OG1-N 3.47Å |
| 59 | H | 92.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 67 Ų | 67 | 6% | 0.06 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 154.6 | 172.5 | 67.4 | 80.4 | 0 | 0 | 0 | 111.9 | P27 W28 A30 L50 P51 F52 G61 | P27-H59 PolarHBondContact O-CE1 3.05Å; P27-H59 PolarHBondContact O-NE2 3.4Å; W28-H59 WeakPolarHBondContact CA-NE2 3.37Å; W28-H59 PolarHBondContact O-NE2 3.1Å; A30-H59 PolarHBondContact O-CD2 3.41Å; A30-H59 VanDerWaalsContact O-CD2 3.25Å; A30-H59 PolarHBondContact O-NE2 3.22Å; L50-H59 HydrophobicContact CB-CB 4.06Å; P51-H59 VanDerWaalsContact O-CA 3.3Å; P51-H59 WeakPolarHBondContact O-CA 3.43Å; F52-H59 HydrophobicContact CD1-CB 4.21Å; F52-H59 HydrophobicContact CE1-CB 4.19Å; F52-H59 HydrophobicContact CZ-CB 4.49Å; H59-G61 PolarHBondContact ND1-N 2.84Å; H59-G61 PolarHBondContact O-N 3.48Å |
| 60 | R | 90.9 | Very high | 92.2 | Very high | 167 Ų | 167 | 68.4 Ų | 68.4 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | trans | -76.4 | 22.7 | -173.2 | -60.4 | 178.9 | 71.5 | -168 | 3.3 | 114.5 | P51 D53 L62 | P51-R60 PolarHBondContact O-N 3.35Å; D53-R60 HydrophobicContact CB-CG 4.27Å; R60-L62 HydrophobicContact CB-CD2 4.14Å; R60-L62 HydrophobicContact CB-CG 4.12Å; R60-L62 PolarHBondContact O-N 2.77Å; R60-L62 VanDerWaalsContact O-N 3.12Å | ||
| 61 | G | 92.1 | Very high | 92.2 | Very high | 19 Ų | 19 | 74.2 Ų | 74.2 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | S | Bend | trans | 61.2 | 18.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R24 R25 I26 H59 | R24-G61 CarbonylContact C-O 3.55Å; R25-G61 PolarHBondContact N-O 2.83Å; I26-G61 PolarHBondContact N-O 3.5Å; I26-G61 WeakPolarHBondContact O-CA 3.24Å; H59-G61 PolarHBondContact ND1-N 2.84Å; H59-G61 PolarHBondContact O-N 3.48Å |
| 62 | L | 93.6 | Very high | 92.4 | Very high | 35 Ų | 35 | 72.6 Ų | 72.6 | 18% | 0.183 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 156.9 | -180 | 63.8 | 91.1 | 0 | 0 | 0 | 110.4 | F22 V23 I26 L50 P51 R60 W64 | F22-L62 HydrophobicContact CE2-CB 4.31Å; F22-L62 HydrophobicContact CE2-CD1 4.28Å; F22-L62 HydrophobicContact CZ-CB 4.3Å; V23-L62 CarbonylContact O-C 3.44Å; V23-L62 WeakPolarHBondContact O-CA 3.43Å; I26-L62 VanDerWaalsContact CD1-C 3.45Å; L50-L62 WeakPolarHBondContact CD2-O 3.36Å; P51-L62 WeakPolarHBondContact CD-O 3.21Å; P51-L62 HydrophobicContact CG-CD1 3.36Å; P51-L62 HydrophobicContact CG-CG 4.22Å; R60-L62 HydrophobicContact CB-CD2 4.14Å; R60-L62 HydrophobicContact CB-CG 4.12Å; R60-L62 PolarHBondContact O-N 2.77Å; R60-L62 VanDerWaalsContact O-N 3.12Å; L62-W64 HydrophobicContact CD1-CH2 3.79Å; L62-W64 HydrophobicContact CD1-CZ3 3.91Å |
| 63 | G | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 173.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F22 V23 I49 | F22-G63 WeakPolarHBondContact CD2-O 2.97Å; V23-G63 PolarHBondContact N-O 2.82Å; V23-G63 PolarHBondContact O-N 3.45Å; I49-G63 CarbonylContact O-C 3.47Å; I49-G63 WeakPolarHBondContact O-CA 3.36Å |
| 64 | W | 94.6 | Very high | 92.8 | Very high | 104 Ų | 104 | 72.6 Ų | 72.6 | 39% | 0.394 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 134.5 | 178 | -64.6 | -91 | 0 | 0 | 0 | 110.6 | V20 A21 F22 C48 I49 P51 L62 | V20-W64 HydrophobicContact CG1-CB 3.89Å; V20-W64 HydrophobicContact CG1-CG 4.29Å; A21-W64 WeakPolarHBondContact O-CA 3.45Å; F22-W64 AromaticContact CD2-CD1 3.81Å; F22-W64 HydrophobicContact CD2-CD2 4.22Å; F22-W64 AromaticContact CD2-CE2 3.63Å; F22-W64 HydrophobicContact CD2-CG 4.33Å; F22-W64 HydrophobicContact CD2-CZ2 4.06Å; F22-W64 AromaticContact CD2-NE1 3.35Å; F22-W64 HydrophobicContact CE2-CD2 4.47Å; F22-W64 AromaticContact CE2-CE2 3.77Å; F22-W64 HydrophobicContact CE2-CH2 4.38Å; F22-W64 AromaticContact CE2-CZ2 3.72Å; F22-W64 HydrophobicContact CE2-CZ2 3.72Å; F22-W64 AromaticContact CE2-NE1 3.95Å; C48-W64 CarbonylContact C-O 3.55Å; C48-W64 WeakPolarHBondContact CA-O 3.46Å; I49-W64 HydrophobicContact CB-CE3 4.37Å; I49-W64 HydrophobicContact CG2-CE3 4.26Å; I49-W64 PolarHBondContact N-O 3.11Å; I49-W64 PolarHBondContact O-N 3.16Å; P51-W64 HydrophobicContact CG-CZ3 3.93Å; L62-W64 HydrophobicContact CD1-CH2 3.79Å; L62-W64 HydrophobicContact CD1-CZ3 3.91Å |
| 65 | V | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 110.3 | 178.4 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | V20 A21 V23 L35 F39 V45 F67 | V20-V65 CarbonylContact C-O 3.57Å; V20-V65 WeakPolarHBondContact CA-O 3.38Å; A21-V65 HydrophobicContact CB-CB 4.44Å; A21-V65 PolarHBondContact N-O 3.27Å; A21-V65 PolarHBondContact O-N 3.33Å; V23-V65 HydrophobicContact CG2-CG2 3.92Å; L35-V65 HydrophobicContact CD2-CG2 4.33Å; F39-V65 HydrophobicContact CB-CG1 3.94Å; F39-V65 HydrophobicContact CD2-CB 4.23Å; F39-V65 HydrophobicContact CD2-CG1 3.82Å; F39-V65 HydrophobicContact CD2-CG2 3.55Å; F39-V65 HydrophobicContact CE2-CG2 3.6Å; F39-V65 HydrophobicContact CG-CG1 3.93Å; F39-V65 HydrophobicContact CG-CG2 4.37Å; F39-V65 HydrophobicContact CZ-CG2 4.4Å; V45-V65 HydrophobicContact CG1-CG1 3.79Å; V45-V65 HydrophobicContact CG2-CG1 4.16Å; V65-F67 HydrophobicContact CB-CE2 4.34Å; V65-F67 HydrophobicContact CG1-CD2 4.34Å; V65-F67 HydrophobicContact CG1-CE2 3.78Å; V65-F67 HydrophobicContact CG1-CZ 3.95Å |
| 66 | Q | 93.6 | Very high | 93.1 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 116.8 | 178.3 | -175.9 | 177.2 | 22.6 | 0 | 0 | 109.7 | V20 V45 R46 R47 | V20-Q66 HydrophobicContact CG2-CB 4.11Å; V20-Q66 HydrophobicContact CG2-CG 4.03Å; V45-Q66 CarbonylContact C-O 3.59Å; R46-Q66 HydrophobicContact CB-CG 4.29Å; R46-Q66 PolarHBondContact N-O 2.99Å; R47-Q66 HydrophobicContact CB-CB 4.23Å; R47-Q66 PolarHBondContact N-O 3.24Å; R47-Q66 PolarHBondContact O-N 2.86Å |
| 67 | F | 95 | Very high | 93.2 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 166.7 | 171.9 | -68.4 | -88.3 | 0 | 0 | 0 | 111.4 | P19 A21 F39 F42 H44 V45 V65 S69 L73 A76 | P19-F67 HydrophobicContact CB-CB 4.3Å; P19-F67 HydrophobicContact CG-CB 4.25Å; P19-F67 WeakPolarHBondContact CG-O 3.33Å; P19-F67 PolarHBondContact O-N 3.26Å; A21-F67 HydrophobicContact CB-CE2 4.19Å; F39-F67 HydrophobicContact CB-CE1 4.14Å; F39-F67 HydrophobicContact CB-CZ 3.87Å; F39-F67 HydrophobicContact CD1-CZ 4.16Å; F39-F67 HydrophobicContact CG-CZ 4.24Å; F42-F67 HydrophobicContact CB-CE1 4.26Å; H44-F67 CarbonylContact O-C 3.59Å; V45-F67 HydrophobicContact CG2-CD1 4.16Å; V45-F67 HydrophobicContact CG2-CE1 3.88Å; V65-F67 HydrophobicContact CB-CE2 4.34Å; V65-F67 HydrophobicContact CG1-CD2 4.34Å; V65-F67 HydrophobicContact CG1-CE2 3.78Å; V65-F67 HydrophobicContact CG1-CZ 3.95Å; F67-S69 WeakPolarHBondContact CB-O 3.39Å; F67-L73 HydrophobicContact CD2-CB 4.06Å; F67-L73 HydrophobicContact CD2-CD1 4.37Å; F67-L73 HydrophobicContact CE2-CD1 4.46Å; F67-A76 HydrophobicContact CE2-CB 4.11Å; F67-A76 HydrophobicContact CZ-CB 3.78Å |
| 68 | S | 93.6 | Very high | 93.5 | Very high | 57 Ų | 57 | 61.6 Ų | 61.6 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -86.5 | -22.1 | 173.5 | -55.1 | 0 | 0 | 0 | 0 | 113 | H44 R46 | H44-S68 PolarHBondContact CD2-OG 3.01Å; H44-S68 WeakPolarHBondContact O-CB 3.35Å; H44-S68 PolarHBondContact O-N 3.18Å; H44-S68 PolarHBondContact O-OG 2.69Å; R46-S68 WeakPolarHBondContact CG-OG 3.32Å |
| 69 | S | 93.8 | Very high | 93.6 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -134.5 | 153.5 | -178.4 | 60.6 | 0 | 0 | 0 | 0 | 110.7 | P19 F67 E71 G72 L73 | P19-S69 VanDerWaalsContact CB-O 3.29Å; P19-S69 WeakPolarHBondContact CB-O 3.41Å; P19-S69 WeakPolarHBondContact CG-O 3.41Å; F67-S69 WeakPolarHBondContact CB-O 3.39Å; S69-E71 VanDerWaalsContact C-N 3.25Å; S69-E71 PolarHBondContact O-N 3.34Å; S69-G72 PolarHBondContact O-N 2.84Å; S69-G72 PolarHBondContact OG-N 2.88Å; S69-L73 PolarHBondContact O-N 2.95Å |
| 70 | E | 93.7 | Very high | 93.3 | Very high | 101 Ų | 101 | 68.1 Ų | 68.1 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.9 | -34.3 | 170.5 | -72.8 | -170.7 | -170.2 | 0 | 0 | 112.3 | P19 G72 L73 R74 | P19-E70 HydrophobicContact CB-CG 4.33Å; E70-G72 VanDerWaalsContact C-N 3.29Å; E70-G72 PolarHBondContact O-N 2.86Å; E70-L73 WeakPolarHBondContact O-CB 3.35Å; E70-L73 PolarHBondContact O-N 2.85Å; E70-L73 VanDerWaalsContact O-N 3.17Å; E70-R74 WeakPolarHBondContact O-CG 3.45Å; E70-R74 PolarHBondContact O-N 2.8Å; E70-R74 IonicContact OE2-CZ 3.7Å; E70-R74 IonicContact OE2-NE 3.99Å; E70-R74 IonicContact OE2-NH2 2.82Å; E70-R74 PolarHBondContact OE2-NH2 2.87Å |
| 71 | E | 94.9 | Very high | 93.2 | Very high | 135 Ų | 135 | 63.1 Ų | 63.1 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -57.5 | -43.8 | 175.5 | -173.1 | 179.6 | -178.3 | 0 | 0 | 111.3 | S69 L73 R74 N75 | S69-E71 VanDerWaalsContact C-N 3.25Å; S69-E71 PolarHBondContact O-N 3.34Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 3.48Å; E71-R74 PolarHBondContact O-N 3.01Å; E71-R74 VanDerWaalsContact O-N 3.16Å; E71-N75 WeakPolarHBondContact O-CB 3.22Å; E71-N75 PolarHBondContact O-N 3.25Å; E71-N75 PolarHBondContact O-ND2 2.91Å; E71-N75 PolarHBondContact O-OD1 3.07Å |
| 72 | G | 95.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F42 S69 E70 A76 | F42-G72 VanDerWaalsContact O-CA 3.31Å; F42-G72 WeakPolarHBondContact O-CA 3.41Å; S69-G72 PolarHBondContact O-N 2.84Å; S69-G72 PolarHBondContact OG-N 2.88Å; E70-G72 VanDerWaalsContact C-N 3.29Å; E70-G72 PolarHBondContact O-N 2.86Å; G72-A76 PolarHBondContact O-N 3.45Å; G72-A76 VanDerWaalsContact O-N 3.16Å |
| 73 | L | 94.2 | Very high | 93.2 | Very high | 29 Ų | 29 | 65.4 Ų | 65.4 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.9 | -47.1 | 172.7 | 173 | 63.4 | 0 | 0 | 0 | 111.5 | P19 A21 F67 S69 E70 E71 N75 A76 L77 | P19-L73 HydrophobicContact CB-CB 3.85Å; P19-L73 HydrophobicContact CB-CD2 4.08Å; A21-L73 HydrophobicContact CB-CD1 3.55Å; F67-L73 HydrophobicContact CD2-CB 4.06Å; F67-L73 HydrophobicContact CD2-CD1 4.37Å; F67-L73 HydrophobicContact CE2-CD1 4.46Å; S69-L73 PolarHBondContact O-N 2.95Å; E70-L73 WeakPolarHBondContact O-CB 3.35Å; E70-L73 PolarHBondContact O-N 2.85Å; E70-L73 VanDerWaalsContact O-N 3.17Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 3.48Å; L73-N75 PolarHBondContact O-N 2.91Å; L73-A76 PolarHBondContact O-N 3.49Å; L73-L77 HydrophobicContact CD1-CD1 3.88Å; L73-L77 HydrophobicContact CD1-CG 3.98Å; L73-L77 HydrophobicContact CD2-CD1 4.46Å; L73-L77 HydrophobicContact CG-CD1 3.87Å; L73-L77 HydrophobicContact CG-CG 4.36Å; L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 2.96Å |
| 74 | R | 94.1 | Very high | 93.2 | Very high | 147 Ų | 147 | 65.8 Ų | 65.8 | 56% | 0.555 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.1 | -43.5 | -179.6 | -70.8 | 178.1 | -167.6 | 178.1 | 6.9 | 111.5 | E70 E71 A76 L77 Q78 | E70-R74 WeakPolarHBondContact O-CG 3.45Å; E70-R74 PolarHBondContact O-N 2.8Å; E70-R74 IonicContact OE2-CZ 3.7Å; E70-R74 IonicContact OE2-NE 3.99Å; E70-R74 IonicContact OE2-NH2 2.82Å; E70-R74 PolarHBondContact OE2-NH2 2.87Å; E71-R74 PolarHBondContact O-N 3.01Å; E71-R74 VanDerWaalsContact O-N 3.16Å; R74-A76 VanDerWaalsContact C-N 3.29Å; R74-A76 PolarHBondContact O-N 3.1Å; R74-L77 PolarHBondContact O-N 2.85Å; R74-Q78 WeakPolarHBondContact O-CB 3.42Å; R74-Q78 VanDerWaalsContact O-CG 3.3Å; R74-Q78 WeakPolarHBondContact O-CG 3.41Å; R74-Q78 PolarHBondContact O-N 3.02Å |
| 75 | N | 95.1 | Very high | 93 | Very high | 58 Ų | 58 | 64.9 Ų | 64.9 | 31% | 0.31 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 175.9 | -68.7 | -11.3 | 0 | 0 | 0 | 111.2 | F42 E71 L73 | F42-N75 HydrophobicContact CB-CB 3.93Å; F42-N75 HydrophobicContact CD1-CB 4.29Å; F42-N75 PolarHBondContact O-ND2 3.17Å; E71-N75 WeakPolarHBondContact O-CB 3.22Å; E71-N75 PolarHBondContact O-N 3.25Å; E71-N75 PolarHBondContact O-ND2 2.91Å; E71-N75 PolarHBondContact O-OD1 3.07Å; L73-N75 PolarHBondContact O-N 2.91Å |
| 76 | A | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | F39 F42 F67 G72 L73 R74 Q78 Q79 H82 | F39-A76 HydrophobicContact CD1-CB 4.47Å; F42-A76 HydrophobicContact CB-CB 4.07Å; F42-A76 HydrophobicContact CD2-CB 4.02Å; F42-A76 HydrophobicContact CG-CB 3.99Å; F67-A76 HydrophobicContact CE2-CB 4.11Å; F67-A76 HydrophobicContact CZ-CB 3.78Å; G72-A76 PolarHBondContact O-N 3.45Å; G72-A76 VanDerWaalsContact O-N 3.16Å; L73-A76 PolarHBondContact O-N 3.49Å; R74-A76 VanDerWaalsContact C-N 3.29Å; R74-A76 PolarHBondContact O-N 3.1Å; A76-Q78 VanDerWaalsContact C-N 3.3Å; A76-Q78 PolarHBondContact O-N 3.4Å; A76-Q79 WeakPolarHBondContact O-CB 3.31Å; A76-Q79 PolarHBondContact O-N 3.23Å; A76-Q79 VanDerWaalsContact O-N 3.17Å; A76-H82 PolarHBondContact O-CE1 2.86Å; A76-H82 VanDerWaalsContact O-CE1 3.24Å; A76-H82 PolarHBondContact O-NE2 3.21Å |
| 77 | L | 91.8 | Very high | 92.7 | Very high | 81 Ų | 81 | 68.1 Ų | 68.1 | 42% | 0.424 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.2 | -26.5 | -178.9 | -68.5 | 173.5 | 0 | 0 | 0 | 114.2 | L73 R74 Q79 F91 | L73-L77 HydrophobicContact CD1-CD1 3.88Å; L73-L77 HydrophobicContact CD1-CG 3.98Å; L73-L77 HydrophobicContact CD2-CD1 4.46Å; L73-L77 HydrophobicContact CG-CD1 3.87Å; L73-L77 HydrophobicContact CG-CG 4.36Å; L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 2.96Å; R74-L77 PolarHBondContact O-N 2.85Å; L77-Q79 VanDerWaalsContact C-N 3.27Å; L77-F91 HydrophobicContact CD2-CB 4.24Å |
| 78 | Q | 92.8 | Very high | 92.6 | Very high | 154 Ų | 154 | 72.1 Ų | 72.1 | 72% | 0.72 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -73.4 | -21 | 175.7 | -77.3 | 176.8 | -7.7 | 0 | 0 | 112.8 | R74 A76 E80 | R74-Q78 WeakPolarHBondContact O-CB 3.42Å; R74-Q78 VanDerWaalsContact O-CG 3.3Å; R74-Q78 WeakPolarHBondContact O-CG 3.41Å; R74-Q78 PolarHBondContact O-N 3.02Å; A76-Q78 VanDerWaalsContact C-N 3.3Å; A76-Q78 PolarHBondContact O-N 3.4Å; Q78-E80 PolarHBondContact O-N 2.85Å |
| 79 | Q | 91.9 | Very high | 92.4 | Very high | 89 Ų | 89 | 69.5 Ų | 69.5 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | trans | -74.6 | 116.8 | 178.4 | 177.8 | 65.2 | 10.4 | 0 | 0 | 110.2 | F42 A76 L77 N81 H82 | F42-Q79 HydrophobicContact CE1-CB 3.95Å; F42-Q79 HydrophobicContact CE1-CG 4.15Å; F42-Q79 HydrophobicContact CZ-CB 4.16Å; F42-Q79 HydrophobicContact CZ-CG 4.02Å; A76-Q79 WeakPolarHBondContact O-CB 3.31Å; A76-Q79 PolarHBondContact O-N 3.23Å; A76-Q79 VanDerWaalsContact O-N 3.17Å; L77-Q79 VanDerWaalsContact C-N 3.27Å; Q79-N81 VanDerWaalsContact C-N 3.29Å; Q79-N81 WeakPolarHBondContact CG-O 3.13Å; Q79-N81 PolarHBondContact NE2-O 2.85Å; Q79-N81 PolarHBondContact O-N 3.09Å; Q79-H82 PolarHBondContact O-NE2 2.78Å | ||
| 80 | E | 86.1 | Confident | 92.2 | Very high | 158 Ų | 158 | 71 Ų | 71 | 74% | 0.738 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -67 | -30.7 | -176.2 | -171.3 | -176.4 | -155.6 | 0 | 0 | 113.1 | Q78 | Q78-E80 PolarHBondContact O-N 2.85Š|
| 81 | N | 90.2 | Very high | 91.7 | Very high | 62 Ų | 62 | 68.1 Ų | 68.1 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | trans | -133.4 | 110.9 | -174.1 | -61.2 | -62.9 | 0 | 0 | 0 | 110.7 | Q79 K88 | Q79-N81 VanDerWaalsContact C-N 3.29Å; Q79-N81 WeakPolarHBondContact CG-O 3.13Å; Q79-N81 PolarHBondContact NE2-O 2.85Å; Q79-N81 PolarHBondContact O-N 3.09Å; N81-K88 WeakPolarHBondContact OD1-CE 3.35Å; N81-K88 PolarHBondContact OD1-NZ 3.36Å | ||
| 82 | H | 92.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.009 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.5 | 162.2 | -55.5 | -99.9 | 0 | 0 | 0 | 108.9 | H38 F39 F42 A76 Q79 K88 C89 F91 | H38-H82 AromaticContact NE2-CG 3.87Å; H38-H82 AromaticContact NE2-ND1 3.4Å; H38-H82 PolarHBondContact NE2-ND1 3.17Å; F39-H82 AromaticContact CE1-CE1 3.94Å; F39-H82 AromaticContact CE1-ND1 3.68Å; F42-H82 AromaticContact CE2-CE1 3.51Å; F42-H82 AromaticContact CE2-ND1 3.54Å; F42-H82 AromaticContact CZ-CE1 3.57Å; F42-H82 AromaticContact CZ-ND1 3.69Å; A76-H82 PolarHBondContact O-CE1 2.86Å; A76-H82 VanDerWaalsContact O-CE1 3.24Å; A76-H82 PolarHBondContact O-NE2 3.21Å; Q79-H82 PolarHBondContact O-NE2 2.78Å; H82-K88 WeakPolarHBondContact O-CA 3.38Å; H82-C89 HydrophobicContact CB-CB 4.46Å; H82-C89 PolarHBondContact O-N 2.89Å; H82-F91 HydrophobicContact CB-CE2 3.43Å; H82-F91 VanDerWaalsContact CB-CE2 3.43Å; H82-F91 HydrophobicContact CB-CZ 3.52Å; H82-F91 AromaticContact CD2-CD2 3.38Å; H82-F91 WeakPolarHBondContact CD2-CD2 3.05Å; H82-F91 AromaticContact CD2-CE1 3.88Å; H82-F91 AromaticContact CD2-CE2 2.97Å; H82-F91 WeakPolarHBondContact CD2-CE2 3.36Å; H82-F91 AromaticContact CD2-CZ 3.21Å; H82-F91 WeakPolarHBondContact CD2-CZ 3.33Å; H82-F91 AromaticContact CG-CE2 3.32Å; H82-F91 AromaticContact CG-CZ 3.23Å; H82-F91 AromaticContact ND1-CZ 3.79Å; H82-F91 AromaticContact NE2-CD2 3.98Å; H82-F91 AromaticContact NE2-CE1 3.89Å; H82-F91 AromaticContact NE2-CE2 3.8Å; H82-F91 AromaticContact NE2-CZ 3.7Å |
| 83 | I | 93.4 | Very high | 90.1 | Very high | 100 Ų | 100 | 72.9 Ų | 72.9 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.5 | -178.9 | -57.6 | 173.6 | 0 | 0 | 0 | 107.1 | V87 | I83-V87 WeakPolarHBondContact CA-O 3.32Å |
| 84 | I | 92.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 5% | 0.046 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.8 | 175.7 | -57.8 | 179.3 | 0 | 0 | 0 | 106.2 | P27 A30 L35 H38 F39 G86 V87 | P27-I84 HydrophobicContact CG-CB 4.45Å; P27-I84 HydrophobicContact CG-CG2 4.28Å; P27-I84 WeakPolarHBondContact CG-O 3.47Å; A30-I84 HydrophobicContact CB-CG2 3.82Å; L35-I84 HydrophobicContact CD1-CD1 4.07Å; L35-I84 HydrophobicContact CG-CD1 3.98Å; H38-I84 HydrophobicContact CB-CD1 4.47Å; F39-I84 HydrophobicContact CE2-CD1 4.49Å; I84-G86 PolarHBondContact O-N 2.78Å; I84-G86 VanDerWaalsContact O-N 3.11Å; I84-V87 PolarHBondContact N-O 3.12Å; I84-V87 PolarHBondContact O-N 3.31Å |
| 85 | D | 90 | Very high | 89.6 | Confident | 85 Ų | 85 | 71.2 Ų | 71.2 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 38.5 | -175.3 | -61.8 | -11.1 | 0 | 0 | 0 | 113.7 | P27 T29 Q34 V87 | P27-D85 HydrophobicContact CG-CB 4.14Å; T29-D85 PolarHBondContact OG1-OD2 2.9Å; Q34-D85 PolarHBondContact NE2-OD1 2.97Å; D85-V87 PolarHBondContact O-N 3.29Å |
| 86 | G | 89.9 | Confident | 89.3 | Confident | 69 Ų | 69 | 72 Ų | 72 | 71% | 0.711 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | -0.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I84 | I84-G86 PolarHBondContact O-N 2.78Å; I84-G86 VanDerWaalsContact O-N 3.11Å |
| 87 | V | 91.8 | Very high | 89 | Confident | 43 Ų | 43 | 76.5 Ų | 76.5 | 26% | 0.261 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.9 | 177.5 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | R25 P27 I83 I84 D85 C89 | R25-V87 HydrophobicContact CG-CG1 4.38Å; R25-V87 WeakPolarHBondContact O-CG1 3.3Å; P27-V87 HydrophobicContact CB-CB 4.11Å; P27-V87 HydrophobicContact CB-CG2 3.87Å; P27-V87 HydrophobicContact CG-CB 4.11Å; P27-V87 HydrophobicContact CG-CG2 4.34Å; I83-V87 WeakPolarHBondContact CA-O 3.32Å; I84-V87 PolarHBondContact N-O 3.12Å; I84-V87 PolarHBondContact O-N 3.31Å; D85-V87 PolarHBondContact O-N 3.29Å; V87-C89 PolarHBondContact O-N 2.97Å |
| 88 | K | 92.8 | Very high | 88.8 | Confident | 84 Ų | 84 | 76.2 Ų | 76.2 | 37% | 0.365 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 113.1 | 169.8 | -178.9 | 172.7 | 175 | 168.4 | 0 | 110.4 | R25 N81 H82 | R25-K88 PolarHBondContact NH1-O 3.29Å; N81-K88 WeakPolarHBondContact OD1-CE 3.35Å; N81-K88 PolarHBondContact OD1-NZ 3.36Å; H82-K88 WeakPolarHBondContact O-CA 3.38Å |
| 89 | C | 90.8 | Very high | 88.5 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.02 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 152.4 | 172.2 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | V23 H82 V87 F91 | V23-C89 HydrophobicContact CG1-CB 3.95Å; H82-C89 HydrophobicContact CB-CB 4.46Å; H82-C89 PolarHBondContact O-N 2.89Å; V87-C89 PolarHBondContact O-N 2.97Å; C89-F91 HydrophobicContact CB-CE2 3.72Å; C89-F91 HydrophobicContact CB-CZ 4.15Å |
| 90 | L | 88.3 | Confident | 88.3 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 41% | 0.414 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 143.1 | 177.2 | -63.6 | 177.5 | 0 | 0 | 0 | 110.6 | V23 R24 R25 F92 | V23-L90 CarbonylContact C-O 3.47Å; V23-L90 WeakPolarHBondContact CA-O 3.34Å; R24-L90 HydrophobicContact CB-CB 4.31Å; R24-L90 PolarHBondContact N-O 3.4Å; R24-L90 PolarHBondContact O-N 2.87Å; R25-L90 HydrophobicContact CB-CD1 4.49Å; R25-L90 HydrophobicContact CB-CG 4.33Å; L90-F92 HydrophobicContact CB-CE2 4.27Å |
| 91 | F | 83.3 | Confident | 88.4 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 144.5 | -174.1 | -66.8 | -100 | 0 | 0 | 0 | 110.6 | F22 V23 F39 L77 H82 C89 | F22-F91 WeakPolarHBondContact O-CA 3.43Å; V23-F91 HydrophobicContact CB-CE1 4.4Å; V23-F91 HydrophobicContact CG1-CE1 4.08Å; V23-F91 HydrophobicContact CG1-CE2 4.35Å; V23-F91 HydrophobicContact CG1-CZ 3.89Å; V23-F91 HydrophobicContact CG2-CD1 4.03Å; V23-F91 HydrophobicContact CG2-CE1 3.59Å; V23-F91 HydrophobicContact CG2-CZ 4.24Å; F39-F91 AromaticContact CE1-CE1 3.31Å; F39-F91 HydrophobicContact CE1-CE1 3.31Å; F39-F91 AromaticContact CE1-CZ 3.53Å; F39-F91 HydrophobicContact CE1-CZ 3.53Å; F39-F91 AromaticContact CZ-CE1 3.38Å; F39-F91 HydrophobicContact CZ-CE1 3.38Å; F39-F91 AromaticContact CZ-CZ 3.42Å; F39-F91 HydrophobicContact CZ-CZ 3.42Å; F39-F91 VanDerWaalsContact CZ-CZ 3.42Å; L77-F91 HydrophobicContact CD2-CB 4.24Å; H82-F91 HydrophobicContact CB-CE2 3.43Å; H82-F91 VanDerWaalsContact CB-CE2 3.43Å; H82-F91 HydrophobicContact CB-CZ 3.52Å; H82-F91 AromaticContact CD2-CD2 3.38Å; H82-F91 WeakPolarHBondContact CD2-CD2 3.05Å; H82-F91 AromaticContact CD2-CE1 3.88Å; H82-F91 AromaticContact CD2-CE2 2.97Å; H82-F91 WeakPolarHBondContact CD2-CE2 3.36Å; H82-F91 AromaticContact CD2-CZ 3.21Å; H82-F91 WeakPolarHBondContact CD2-CZ 3.33Å; H82-F91 AromaticContact CG-CE2 3.32Å; H82-F91 AromaticContact CG-CZ 3.23Å; H82-F91 AromaticContact ND1-CZ 3.79Å; H82-F91 AromaticContact NE2-CD2 3.98Å; H82-F91 AromaticContact NE2-CE1 3.89Å; H82-F91 AromaticContact NE2-CE2 3.8Å; H82-F91 AromaticContact NE2-CZ 3.7Å; C89-F91 HydrophobicContact CB-CE2 3.72Å; C89-F91 HydrophobicContact CB-CZ 4.15Å |
| 92 | F | 65.8 | Low | 88.3 | Confident | 164 Ų | 164 | 61.8 Ų | 61.8 | 72% | 0.719 | 34% | 0.336 | S | S | * | . | trans | -141.1 | 0 | 173.3 | -60.2 | -94.5 | 0 | 0 | 0 | 110.1 | F22 R24 L90 | F22-F92 HydrophobicContact CD1-CB 4.13Å; F22-F92 HydrophobicContact CD1-CD2 4.14Å; F22-F92 HydrophobicContact CD1-CG 4.49Å; F22-F92 PolarHBondContact N-O 2.87Å; F22-F92 PolarHBondContact O-N 3.48Å; F22-F92 VanDerWaalsContact O-N 3.09Å; R24-F92 HydrophobicContact CG-CD2 4.32Å; R24-F92 HydrophobicContact CG-CE2 4.24Å; L90-F92 HydrophobicContact CB-CE2 4.27Å |
Retrieved 92 of 92 residues in 200.7 ms
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