| 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 | 39.2 | Very low | 43.3 | Very low | 242 Ų | 242 | 139.7 Ų | 139.7 | 100% | 1.192 | 86% | 0.855 | S | S | * | * | 0 | 88.3 | 0 | -75 | 166.8 | 66.7 | 0 | 0 | 107.7 | |||||
| 2 | L | 36.1 | Very low | 43.8 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 95% | 0.948 | 85% | 0.85 | S | S | * | * | trans | -87 | 122.3 | 173.7 | -95.3 | 86.6 | 0 | 0 | 0 | 108.1 | ||||
| 3 | C | 40.7 | Very low | 43.7 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 86% | 0.858 | 85% | 0.849 | S | S | * | * | trans | -95.8 | 103.9 | 172.2 | -150.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 4 | A | 41.8 | Very low | 44.1 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 74% | 0.744 | 84% | 0.843 | S | S | * | * | trans | -96.9 | 108.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | L6 | A4-L6 PolarHBondContact O-N 3Š| ||
| 5 | T | 47 | Very low | 44.1 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -75.9 | 113.9 | 172.5 | 32.6 | 0 | 0 | 0 | 0 | 109.7 | L7 | T5-L7 PolarHBondContact O-N 3.28Š| ||
| 6 | L | 44.5 | Very low | 44.4 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -75 | 108.9 | 168.6 | -93.8 | 125.8 | 0 | 0 | 0 | 109.6 | A4 A8 | A4-L6 PolarHBondContact O-N 3Å; L6-A8 PolarHBondContact O-N 2.96Å | ||
| 7 | L | 44.7 | Very low | 44.7 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 81% | 0.806 | 83% | 0.827 | S | S | * | * | trans | -82.5 | 103.1 | 162.9 | -94.3 | 141.4 | 0 | 0 | 0 | 108.3 | T5 L9 | T5-L7 PolarHBondContact O-N 3.28Å; L7-L9 PolarHBondContact O-N 3.23Å | ||
| 8 | A | 43.2 | Very low | 45.3 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | trans | -80 | 101.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L6 A10 | L6-A8 PolarHBondContact O-N 2.96Å; A8-A10 PolarHBondContact O-N 2.92Å | ||
| 9 | L | 45.3 | Very low | 46.1 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -74.6 | 105.5 | 163.9 | -95.7 | 101.7 | 0 | 0 | 0 | 108.6 | L7 A11 | L7-L9 PolarHBondContact O-N 3.23Å; L9-A11 PolarHBondContact O-N 3.05Å | ||
| 10 | A | 47.7 | Very low | 47.1 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -75.7 | 102.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | A8 S12 | A8-A10 PolarHBondContact O-N 2.92Å; A10-S12 PolarHBondContact O-N 3.44Å | ||
| 11 | A | 45.8 | Very low | 48.6 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -76.3 | 104.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | L9 L13 | L9-A11 PolarHBondContact O-N 3.05Å; A11-L13 PolarHBondContact O-N 3.16Å; A11-L13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | S | 49.3 | Very low | 50.9 | Low | 114 Ų | 114 | 124.3 Ų | 124.3 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -69 | 104.2 | 165.3 | 40.5 | 0 | 0 | 0 | 0 | 108.6 | A10 S14 | A10-S12 PolarHBondContact O-N 3.44Å; S12-S14 PolarHBondContact O-N 3.11Å | ||
| 13 | L | 43.6 | Very low | 53.5 | Low | 159 Ų | 159 | 124.7 Ų | 124.7 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -65.6 | 100.5 | 163.3 | -90.4 | 115.8 | 0 | 0 | 0 | 108 | A11 V15 | A11-L13 PolarHBondContact O-N 3.16Å; A11-L13 VanDerWaalsContact O-N 3.15Å; L13-V15 VanDerWaalsContact C-N 3.34Å; L13-V15 PolarHBondContact O-N 3.2Å | ||
| 14 | S | 49.2 | Very low | 55.8 | Low | 109 Ų | 109 | 119.7 Ų | 119.7 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | trans | -67.1 | 97.6 | 159.5 | 45 | 0 | 0 | 0 | 0 | 107.5 | S12 S16 | S12-S14 PolarHBondContact O-N 3.11Å; S14-S16 PolarHBondContact O-N 3.27Å | ||
| 15 | V | 43.7 | Very low | 58.1 | Low | 117 Ų | 117 | 117 Ų | 117 | 71% | 0.709 | 68% | 0.677 | S | S | * | * | trans | -69.5 | 89.8 | 163 | -176.8 | 0 | 0 | 0 | 0 | 105.8 | L13 L17 | L13-V15 VanDerWaalsContact C-N 3.34Å; L13-V15 PolarHBondContact O-N 3.2Å; V15-L17 PolarHBondContact O-N 2.91Å | ||
| 16 | S | 48.3 | Very low | 60.3 | Low | 100 Ų | 100 | 112.1 Ų | 112.1 | 70% | 0.699 | 65% | 0.648 | S | S | * | * | trans | -58.1 | 110.1 | 157.3 | 44.3 | 0 | 0 | 0 | 0 | 105.6 | S14 A18 | S14-S16 PolarHBondContact O-N 3.27Å; S16-A18 PolarHBondContact O-N 3.25Å | ||
| 17 | L | 49.7 | Very low | 62.6 | Low | 164 Ų | 164 | 105.2 Ų | 105.2 | 86% | 0.859 | 62% | 0.619 | S | S | * | * | trans | -60.4 | 89 | 167 | -83 | 154.4 | 0 | 0 | 0 | 106.4 | V15 R19 | V15-L17 PolarHBondContact O-N 2.91Å; L17-R19 PolarHBondContact O-N 3.2Å | ||
| 18 | A | 55.5 | Low | 65.1 | Low | 91 Ų | 91 | 103.5 Ų | 103.5 | 75% | 0.752 | 61% | 0.607 | S | S | * | * | trans | -57.1 | 110.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | S16 | S16-A18 PolarHBondContact O-N 3.25Š| ||
| 19 | R | 59.9 | Low | 67.5 | Low | 198 Ų | 198 | 99 Ų | 99 | 75% | 0.747 | 57% | 0.569 | S | S | * | * | trans | -54.6 | 130.8 | 172.9 | -75.7 | -175.8 | 178.9 | -171 | -1.9 | 106.7 | L17 H21 | L17-R19 PolarHBondContact O-N 3.2Å; R19-H21 PolarHBondContact O-N 3.37Å | ||
| 20 | P | 65.9 | Low | 69.9 | Low | 77 Ų | 77 | 91.9 Ų | 91.9 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | trans | -56.7 | 130.5 | 179 | 21.9 | -30.5 | 0 | 0 | 0 | 108.8 | I22 | P20-I22 VanDerWaalsContact C-N 3.29Å; P20-I22 HydrophobicContact CB-CG1 4.22Å; P20-I22 HydrophobicContact CG-CD1 4.18Å; P20-I22 HydrophobicContact CG-CG1 4.27Å; P20-I22 PolarHBondContact O-N 3.29Å | ||
| 21 | H | 78.9 | Confident | 72.3 | Confident | 177 Ų | 177 | 91.9 Ų | 91.9 | 82% | 0.819 | 52% | 0.519 | S | S | * | . | trans | -73.3 | 88 | 174.6 | -176.9 | -63.5 | 0 | 0 | 0 | 108.4 | R19 | R19-H21 PolarHBondContact O-N 3.37Š| ||
| 22 | I | 88.4 | Confident | 74.7 | Confident | 10 Ų | 10 | 91 Ų | 91 | 5% | 0.051 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 127.4 | -179.4 | -59.8 | 160.6 | 0 | 0 | 0 | 109 | P20 E28 M29 Y32 | P20-I22 VanDerWaalsContact C-N 3.29Å; P20-I22 HydrophobicContact CB-CG1 4.22Å; P20-I22 HydrophobicContact CG-CD1 4.18Å; P20-I22 HydrophobicContact CG-CG1 4.27Å; P20-I22 PolarHBondContact O-N 3.29Å; I22-E28 HydrophobicContact CG2-CB 4.11Å; I22-E28 HydrophobicContact CG2-CG 3.93Å; I22-M29 HydrophobicContact CG2-CB 3.66Å; I22-M29 HydrophobicContact CG2-CE 4.4Å; I22-M29 HydrophobicContact CG2-CG 4.38Å; I22-Y32 HydrophobicContact CD1-CD1 3.59Å; I22-Y32 HydrophobicContact CD1-CD2 3.71Å; I22-Y32 HydrophobicContact CD1-CE1 4.05Å; I22-Y32 HydrophobicContact CD1-CE2 4.17Å; I22-Y32 HydrophobicContact CD1-CG 3.4Å |
| 23 | R | 90.1 | Very high | 76.9 | Confident | 189 Ų | 189 | 85.6 Ų | 85.6 | 71% | 0.713 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 128.6 | 179.7 | -176.1 | 178.4 | 174.8 | -176 | -1.7 | 110.4 | S26 | R23-S26 WeakPolarHBondContact O-CB 3.35Å; R23-S26 PolarHBondContact O-N 3.03Å; R23-S26 PolarHBondContact O-OG 2.86Å |
| 24 | P | 89.4 | Confident | 79.5 | Confident | 22 Ų | 22 | 80.5 Ų | 80.5 | 14% | 0.143 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 149.5 | 175 | -26.9 | 36.4 | 0 | 0 | 0 | 112.4 | S26 Y51 E256 | P24-S26 PolarHBondContact O-N 2.68Å; P24-Y51 HydrophobicContact CB-CD2 4.03Å; P24-Y51 HydrophobicContact CB-CE2 3.61Å; P24-Y51 HydrophobicContact CG-CD2 4.4Å; P24-Y51 HydrophobicContact CG-CE2 3.69Å; P24-E256 HydrophobicContact CB-CB 4.1Å; P24-E256 HydrophobicContact CB-CG 4.15Å; P24-E256 HydrophobicContact CG-CB 4.1Å; P24-E256 HydrophobicContact CG-CG 3.83Å; P24-E256 WeakPolarHBondContact CG-OE1 3.29Å |
| 25 | L | 89.6 | Confident | 81.8 | Confident | 32 Ų | 32 | 83.7 Ų | 83.7 | 17% | 0.168 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 1.2 | 178.4 | -46 | 176 | 0 | 0 | 0 | 115.3 | H44 F46 V49 V54 P259 | L25-H44 PolarHBondContact O-CE1 3.09Å; L25-H44 PolarHBondContact O-ND1 3.19Å; L25-F46 HydrophobicContact CD1-CB 4.19Å; L25-F46 HydrophobicContact CD2-CB 4.25Å; L25-F46 HydrophobicContact CD2-CD2 4.42Å; L25-V49 HydrophobicContact CD1-CG2 4.28Å; L25-V54 HydrophobicContact CD1-CG2 3.81Å; L25-P259 HydrophobicContact CD2-CB 3.61Å; L25-P259 HydrophobicContact CD2-CG 4.3Å |
| 26 | S | 92.9 | Very high | 84.3 | Confident | 24 Ų | 24 | 81.8 Ų | 81.8 | 17% | 0.168 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -78.3 | 157.5 | -177.3 | 72.3 | 0 | 0 | 0 | 0 | 112.3 | R23 P24 E28 M29 V30 | R23-S26 WeakPolarHBondContact O-CB 3.35Å; R23-S26 PolarHBondContact O-N 3.03Å; R23-S26 PolarHBondContact O-OG 2.86Å; P24-S26 PolarHBondContact O-N 2.68Å; S26-E28 PolarHBondContact O-N 2.87Å; S26-E28 PolarHBondContact OG-N 2.91Å; S26-M29 PolarHBondContact O-N 2.87Å; S26-M29 VanDerWaalsContact O-N 3.14Å; S26-M29 PolarHBondContact OG-N 2.88Å; S26-V30 PolarHBondContact O-N 2.59Å |
| 27 | G | 94.5 | Very high | 86.5 | Confident | 29 Ų | 29 | 83.2 Ų | 83.2 | 30% | 0.299 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.2 | -25.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N31 H44 | G27-N31 VanDerWaalsContact O-CB 3.27Å; G27-N31 WeakPolarHBondContact O-CB 3.42Å; G27-N31 PolarHBondContact O-N 2.94Å; G27-N31 PolarHBondContact O-ND2 2.65Å; G27-H44 PolarHBondContact N-CE1 3.39Å |
| 28 | E | 95.1 | Very high | 88.7 | Confident | 117 Ų | 117 | 77 Ų | 77 | 55% | 0.547 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 173.7 | -172.7 | -176.6 | -176.4 | 0 | 0 | 111.6 | I22 S26 N31 Y32 | I22-E28 HydrophobicContact CG2-CB 4.11Å; I22-E28 HydrophobicContact CG2-CG 3.93Å; S26-E28 PolarHBondContact O-N 2.87Å; S26-E28 PolarHBondContact OG-N 2.91Å; E28-N31 PolarHBondContact O-N 3.4Å; E28-Y32 VanDerWaalsContact O-CB 3.27Å; E28-Y32 WeakPolarHBondContact O-CB 3.4Å; E28-Y32 PolarHBondContact O-N 2.78Å |
| 29 | M | 94.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 176.1 | -173.9 | 169.5 | -87.2 | 0 | 0 | 111.6 | I22 S26 N31 Y32 I33 E256 | I22-M29 HydrophobicContact CG2-CB 3.66Å; I22-M29 HydrophobicContact CG2-CE 4.4Å; I22-M29 HydrophobicContact CG2-CG 4.38Å; S26-M29 PolarHBondContact O-N 2.87Å; S26-M29 VanDerWaalsContact O-N 3.14Å; S26-M29 PolarHBondContact OG-N 2.88Å; M29-N31 VanDerWaalsContact C-N 3.33Å; M29-N31 PolarHBondContact O-N 3.4Å; M29-Y32 WeakPolarHBondContact O-CB 3.23Å; M29-Y32 PolarHBondContact O-N 3.1Å; M29-I33 HydrophobicContact CG-CD1 3.72Å; M29-I33 HydrophobicContact CG-CG1 4.47Å; M29-I33 WeakPolarHBondContact O-CD1 3.46Å; M29-I33 VanDerWaalsContact O-CG1 3.31Å; M29-I33 WeakPolarHBondContact O-CG1 3.49Å; M29-I33 PolarHBondContact O-N 3.46Å; M29-E256 HydrophobicContact CE-CB 4.18Å |
| 30 | V | 96.6 | Very high | 92.6 | Very high | 13 Ų | 13 | 65.5 Ų | 65.5 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.8 | -48 | 176.6 | 170 | 0 | 0 | 0 | 0 | 110.9 | S26 Y32 N34 A42 | S26-V30 PolarHBondContact O-N 2.59Å; V30-Y32 PolarHBondContact O-N 3.46Å; V30-N34 WeakPolarHBondContact O-CB 3.25Å; V30-N34 PolarHBondContact O-N 3.38Å; V30-N34 PolarHBondContact O-ND2 3.02Å; V30-A42 HydrophobicContact CG1-CB 4.33Å |
| 31 | N | 96.9 | Very high | 94.1 | Very high | 97 Ų | 97 | 66.2 Ų | 66.2 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 178.5 | -73.5 | -29.8 | 0 | 0 | 0 | 112.5 | G27 E28 M29 K35 | G27-N31 VanDerWaalsContact O-CB 3.27Å; G27-N31 WeakPolarHBondContact O-CB 3.42Å; G27-N31 PolarHBondContact O-N 2.94Å; G27-N31 PolarHBondContact O-ND2 2.65Å; E28-N31 PolarHBondContact O-N 3.4Å; M29-N31 VanDerWaalsContact C-N 3.33Å; M29-N31 PolarHBondContact O-N 3.4Å; N31-K35 WeakPolarHBondContact O-CB 3.22Å; N31-K35 VanDerWaalsContact O-CG 3.23Å; N31-K35 WeakPolarHBondContact O-CG 3.44Å; N31-K35 PolarHBondContact O-N 3.23Å; N31-K35 VanDerWaalsContact O-N 3.11Å |
| 32 | Y | 96.1 | Very high | 95 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -52.3 | 176.8 | 173.4 | -100.8 | 0 | 0 | 0 | 111 | I22 E28 M29 V30 N34 K35 L36 | I22-Y32 HydrophobicContact CD1-CD1 3.59Å; I22-Y32 HydrophobicContact CD1-CD2 3.71Å; I22-Y32 HydrophobicContact CD1-CE1 4.05Å; I22-Y32 HydrophobicContact CD1-CE2 4.17Å; I22-Y32 HydrophobicContact CD1-CG 3.4Å; E28-Y32 VanDerWaalsContact O-CB 3.27Å; E28-Y32 WeakPolarHBondContact O-CB 3.4Å; E28-Y32 PolarHBondContact O-N 2.78Å; M29-Y32 WeakPolarHBondContact O-CB 3.23Å; M29-Y32 PolarHBondContact O-N 3.1Å; V30-Y32 PolarHBondContact O-N 3.46Å; Y32-N34 PolarHBondContact O-N 2.96Å; Y32-K35 WeakPolarHBondContact O-CB 3.42Å; Y32-K35 PolarHBondContact O-N 3.29Å; Y32-K35 VanDerWaalsContact O-N 3.16Å; Y32-L36 HydrophobicContact CD1-CD1 4.27Å; Y32-L36 HydrophobicContact CE1-CD1 3.68Å; Y32-L36 HydrophobicContact CE1-CG 4.33Å; Y32-L36 HydrophobicContact CE2-CD2 4.4Å; Y32-L36 PolarHBondContact O-N 3.26Å |
| 33 | I | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59 | -48.7 | 179.8 | -65 | 157.1 | 0 | 0 | 0 | 110.4 | M29 K35 L36 W40 A42 D257 V269 | M29-I33 HydrophobicContact CG-CD1 3.72Å; M29-I33 HydrophobicContact CG-CG1 4.47Å; M29-I33 WeakPolarHBondContact O-CD1 3.46Å; M29-I33 VanDerWaalsContact O-CG1 3.31Å; M29-I33 WeakPolarHBondContact O-CG1 3.49Å; M29-I33 PolarHBondContact O-N 3.46Å; I33-K35 PolarHBondContact O-N 2.97Å; I33-L36 WeakPolarHBondContact O-CB 3.46Å; I33-L36 PolarHBondContact O-N 3.41Å; I33-W40 HydrophobicContact CD1-CH2 3.77Å; I33-W40 HydrophobicContact CD1-CZ2 4.25Å; I33-W40 HydrophobicContact CG1-CH2 4.42Å; I33-W40 HydrophobicContact CG1-CZ2 4.46Å; I33-W40 HydrophobicContact CG2-CD2 4.32Å; I33-W40 HydrophobicContact CG2-CE3 4.43Å; I33-W40 HydrophobicContact CG2-CH2 3.77Å; I33-W40 HydrophobicContact CG2-CZ2 3.6Å; I33-W40 HydrophobicContact CG2-CZ3 4.16Å; I33-A42 HydrophobicContact CB-CB 3.88Å; I33-A42 HydrophobicContact CD1-CB 3.89Å; I33-A42 HydrophobicContact CG2-CB 3.78Å; I33-D257 HydrophobicContact CD1-CB 3.74Å; I33-D257 HydrophobicContact CG1-CB 4.49Å; I33-V269 HydrophobicContact CG1-CG2 4.04Å; I33-V269 HydrophobicContact CG2-CG2 4.32Å |
| 34 | N | 97.9 | Very high | 95.5 | Very high | 52 Ų | 52 | 52.1 Ų | 52.1 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.1 | -24 | -178.5 | -73.3 | -31 | 0 | 0 | 0 | 113.2 | V30 Y32 A42 | V30-N34 WeakPolarHBondContact O-CB 3.25Å; V30-N34 PolarHBondContact O-N 3.38Å; V30-N34 PolarHBondContact O-ND2 3.02Å; Y32-N34 PolarHBondContact O-N 2.96Å; N34-A42 PolarHBondContact ND2-O 2.82Å; N34-A42 PolarHBondContact OD1-N 3.4Å |
| 35 | K | 97.4 | Very high | 95.6 | Very high | 177 Ų | 177 | 51.1 Ų | 51.1 | 77% | 0.77 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -77.6 | -23.8 | 173.2 | -78.8 | 174.6 | -178.4 | 180 | 0 | 113.8 | N31 Y32 I33 N37 | N31-K35 WeakPolarHBondContact O-CB 3.22Å; N31-K35 VanDerWaalsContact O-CG 3.23Å; N31-K35 WeakPolarHBondContact O-CG 3.44Å; N31-K35 PolarHBondContact O-N 3.23Å; N31-K35 VanDerWaalsContact O-N 3.11Å; Y32-K35 WeakPolarHBondContact O-CB 3.42Å; Y32-K35 PolarHBondContact O-N 3.29Å; Y32-K35 VanDerWaalsContact O-N 3.16Å; I33-K35 PolarHBondContact O-N 2.97Å; K35-N37 PolarHBondContact O-N 3.5Å |
| 36 | L | 96 | Very high | 95.5 | Very high | 76 Ų | 76 | 49.9 Ų | 49.9 | 40% | 0.398 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.4 | 177.2 | -66.1 | 178.2 | 0 | 0 | 0 | 112.8 | Y32 I33 T38 V269 | Y32-L36 HydrophobicContact CD1-CD1 4.27Å; Y32-L36 HydrophobicContact CE1-CD1 3.68Å; Y32-L36 HydrophobicContact CE1-CG 4.33Å; Y32-L36 HydrophobicContact CE2-CD2 4.4Å; Y32-L36 PolarHBondContact O-N 3.26Å; I33-L36 WeakPolarHBondContact O-CB 3.46Å; I33-L36 PolarHBondContact O-N 3.41Å; L36-T38 VanDerWaalsContact C-N 3.29Å; L36-T38 HydrophobicContact CB-CG2 3.75Å; L36-T38 HydrophobicContact CD1-CG2 4.47Å; L36-T38 PolarHBondContact O-N 3.01Å; L36-V269 HydrophobicContact CD1-CB 3.8Å; L36-V269 HydrophobicContact CD1-CG1 4.3Å; L36-V269 HydrophobicContact CD1-CG2 3.87Å |
| 37 | N | 93.4 | Very high | 95 | Very high | 131 Ų | 131 | 54.5 Ų | 54.5 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 47.1 | -177.7 | -162 | 44 | 0 | 0 | 0 | 112.5 | K35 | K35-N37 PolarHBondContact O-N 3.5Š|
| 38 | T | 96.6 | Very high | 94.1 | Very high | 33 Ų | 33 | 60.8 Ų | 60.8 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | trans | -74.7 | -179.2 | 176.2 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | L36 W40 V269 | L36-T38 VanDerWaalsContact C-N 3.29Å; L36-T38 HydrophobicContact CB-CG2 3.75Å; L36-T38 HydrophobicContact CD1-CG2 4.47Å; L36-T38 PolarHBondContact O-N 3.01Å; T38-W40 PolarHBondContact O-N 2.73Å; T38-W40 PolarHBondContact OG1-O 2.77Å; T38-V269 HydrophobicContact CG2-CG1 3.65Å | ||
| 39 | T | 98.2 | Very high | 93.3 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -74.8 | 3.4 | 179.6 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | G264 V265 Q267 V290 | T39-G264 CarbonylContact O-C 3.26Å; T39-G264 WeakPolarHBondContact O-CA 3.18Å; T39-V265 CarbonylContact C-O 3.32Å; T39-V265 WeakPolarHBondContact CB-O 3.35Å; T39-V265 PolarHBondContact O-N 2.81Å; T39-V265 PolarHBondContact OG1-O 3.4Å; T39-Q267 VanDerWaalsContact CG2-NE2 3.31Å; T39-Q267 PolarHBondContact OG1-NE2 2.96Å; T39-V290 HydrophobicContact CG2-CB 4.43Å; T39-V290 HydrophobicContact CG2-CG1 4.23Å; T39-V290 HydrophobicContact CG2-CG2 3.61Å |
| 40 | W | 98.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 1% | 0.011 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 163.4 | -178 | 65.5 | -79.9 | 0 | 0 | 0 | 111.8 | I33 T38 A42 D257 Y261 S263 Y266 Q267 V269 | I33-W40 HydrophobicContact CD1-CH2 3.77Å; I33-W40 HydrophobicContact CD1-CZ2 4.25Å; I33-W40 HydrophobicContact CG1-CH2 4.42Å; I33-W40 HydrophobicContact CG1-CZ2 4.46Å; I33-W40 HydrophobicContact CG2-CD2 4.32Å; I33-W40 HydrophobicContact CG2-CE3 4.43Å; I33-W40 HydrophobicContact CG2-CH2 3.77Å; I33-W40 HydrophobicContact CG2-CZ2 3.6Å; I33-W40 HydrophobicContact CG2-CZ3 4.16Å; T38-W40 PolarHBondContact O-N 2.73Å; T38-W40 PolarHBondContact OG1-O 2.77Å; W40-A42 HydrophobicContact CE3-CB 4.42Å; W40-A42 HydrophobicContact CH2-CB 4.27Å; W40-A42 HydrophobicContact CZ3-CB 3.76Å; W40-D257 HydrophobicContact CH2-CB 4.16Å; W40-D257 HydrophobicContact CZ2-CB 4.3Å; W40-Y261 HydrophobicContact CB-CD2 4.5Å; W40-Y261 HydrophobicContact CB-CE2 4.34Å; W40-Y261 HydrophobicContact CE3-CD2 4.01Å; W40-S263 CarbonylContact C-O 3.55Å; W40-S263 WeakPolarHBondContact CA-O 3.47Å; W40-S263 VanDerWaalsContact CB-O 3.25Å; W40-S263 WeakPolarHBondContact CB-O 3.33Å; W40-Y266 HydrophobicContact CD2-CD2 4.1Å; W40-Y266 AromaticContact CE2-CD2 3.76Å; W40-Y266 HydrophobicContact CE3-CD2 4.48Å; W40-Y266 HydrophobicContact CH2-CD2 4.21Å; W40-Y266 HydrophobicContact CH2-CE2 4.21Å; W40-Y266 AromaticContact CZ2-CD2 3.82Å; W40-Y266 HydrophobicContact CZ2-CD2 3.82Å; W40-Y266 AromaticContact CZ2-CE2 3.81Å; W40-Y266 HydrophobicContact CZ2-CE2 3.81Å; W40-Q267 PolarHBondContact NE1-O 3.49Å; W40-V269 HydrophobicContact CZ2-CG2 4.24Å |
| 41 | K | 98.4 | Very high | 92.1 | Very high | 92 Ų | 92 | 63.7 Ų | 63.7 | 40% | 0.4 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.4 | 176.9 | -62.4 | -58.8 | -179.7 | -164.1 | 0 | 110.8 | K262 S263 | K41-K262 PolarHBondContact O-N 3.47Å; K41-S263 PolarHBondContact N-O 3.23Å |
| 42 | A | 97.9 | Very high | 91.5 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 147.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V30 I33 N34 W40 S260 | V30-A42 HydrophobicContact CG1-CB 4.33Å; I33-A42 HydrophobicContact CB-CB 3.88Å; I33-A42 HydrophobicContact CD1-CB 3.89Å; I33-A42 HydrophobicContact CG2-CB 3.78Å; N34-A42 PolarHBondContact ND2-O 2.82Å; N34-A42 PolarHBondContact OD1-N 3.4Å; W40-A42 HydrophobicContact CE3-CB 4.42Å; W40-A42 HydrophobicContact CH2-CB 4.27Å; W40-A42 HydrophobicContact CZ3-CB 3.76Å; A42-S260 CarbonylContact C-O 3.59Å; A42-S260 VanDerWaalsContact CA-O 3.24Å; A42-S260 WeakPolarHBondContact CA-O 3.3Å |
| 43 | G | 96.2 | Very high | 91 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | trans | -157.3 | 173.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N45 S260 | G43-N45 PolarHBondContact O-N 2.93Å; G43-S260 PolarHBondContact N-O 3.36Å; G43-S260 CarbonylContact O-C 3.55Å; G43-S260 WeakPolarHBondContact O-CA 3.49Å; G43-S260 VanDerWaalsContact O-CB 3.31Å; G43-S260 WeakPolarHBondContact O-CB 3.39Å | ||
| 44 | H | 93.3 | Very high | 90.6 | Very high | 57 Ų | 57 | 57.8 Ų | 57.8 | 26% | 0.264 | 29% | 0.294 | S | S | . | . | trans | -78.5 | 109.2 | 177.2 | -68.8 | -78.1 | 0 | 0 | 0 | 110.1 | L25 G27 R47 H188 | L25-H44 PolarHBondContact O-CE1 3.09Å; L25-H44 PolarHBondContact O-ND1 3.19Å; G27-H44 PolarHBondContact N-CE1 3.39Å; H44-R47 HydrophobicContact CB-CG 3.96Å; H44-H188 PolarHBondContact O-CE1 3.23Å; H44-H188 PolarHBondContact O-ND1 2.04Å | ||
| 45 | N | 91.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -89.4 | -34.4 | 161.2 | -63.1 | -66.9 | 0 | 0 | 0 | 112.4 | G43 H187 H188 P259 Y261 K262 W303 G304 | G43-N45 PolarHBondContact O-N 2.93Å; N45-H187 CarbonylContact O-C 3.55Å; N45-H187 VanDerWaalsContact O-C 3.26Å; N45-H187 WeakPolarHBondContact O-CB 3.37Å; N45-H188 WeakPolarHBondContact CA-CE1 3.39Å; N45-H188 WeakPolarHBondContact CA-NE2 3.48Å; N45-H188 PolarHBondContact O-CD2 3.14Å; N45-H188 PolarHBondContact O-CE1 3.24Å; N45-H188 PolarHBondContact O-ND1 2.91Å; N45-H188 PolarHBondContact O-NE2 2.67Å; N45-P259 WeakPolarHBondContact CB-O 3.48Å; N45-P259 PolarHBondContact ND2-O 2.65Å; N45-Y261 PolarHBondContact ND2-O 2.79Å; N45-K262 WeakPolarHBondContact OD1-CD 3.46Å; N45-K262 WeakPolarHBondContact OD1-CE 3.33Å; N45-K262 PolarHBondContact OD1-NZ 3.44Å; N45-W303 VanDerWaalsContact CB-CD1 3.47Å; N45-W303 HydrophobicContact CB-CG 4.4Å; N45-W303 VanDerWaalsContact CG-CD1 3.45Å; N45-G304 PolarHBondContact OD1-N 2.62Å; N45-G304 VanDerWaalsContact OD1-N 3.15Å |
| 46 | F | 87.6 | Confident | 89.8 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.022 | 28% | 0.279 | C | S | . | . | trans | -110.3 | 123.2 | -177.8 | -63.7 | -83.6 | 0 | 0 | 0 | 109.1 | L25 V49 Y53 V54 L57 H187 P259 W299 W303 | L25-F46 HydrophobicContact CD1-CB 4.19Å; L25-F46 HydrophobicContact CD2-CB 4.25Å; L25-F46 HydrophobicContact CD2-CD2 4.42Å; F46-V49 HydrophobicContact CB-CG2 3.72Å; F46-V49 HydrophobicContact CD1-CG2 4.09Å; F46-V49 HydrophobicContact CG-CG2 4.31Å; F46-Y53 HydrophobicContact CD1-CE1 4.14Å; F46-Y53 AromaticContact CE1-CE1 3.91Å; F46-Y53 HydrophobicContact CE1-CE1 3.91Å; F46-V54 HydrophobicContact CD1-CG2 4.03Å; F46-V54 HydrophobicContact CE1-CG2 4.45Å; F46-V54 HydrophobicContact CG-CG2 4.15Å; F46-L57 HydrophobicContact CE1-CD1 3.75Å; F46-L57 HydrophobicContact CZ-CD1 3.77Å; F46-H187 CarbonylContact C-O 3.46Å; F46-H187 WeakPolarHBondContact CA-O 3.41Å; F46-H187 HydrophobicContact CD1-CB 3.56Å; F46-H187 AromaticContact CD1-CG 3.8Å; F46-H187 HydrophobicContact CE1-CB 3.64Å; F46-H187 AromaticContact CE1-CD2 3.65Å; F46-H187 AromaticContact CE1-CG 3.37Å; F46-H187 AromaticContact CE1-ND1 3.89Å; F46-H187 HydrophobicContact CG-CB 4.36Å; F46-H187 HydrophobicContact CZ-CB 4.49Å; F46-P259 HydrophobicContact CD2-CB 3.73Å; F46-P259 HydrophobicContact CE2-CB 3.77Å; F46-W299 HydrophobicContact CE2-CE3 4.21Å; F46-W299 HydrophobicContact CE2-CZ3 4.31Å; F46-W299 HydrophobicContact CZ-CD2 4.42Å; F46-W299 AromaticContact CZ-CE3 3.9Å; F46-W299 HydrophobicContact CZ-CE3 3.9Å; F46-W299 HydrophobicContact CZ-CZ3 4.34Å; F46-W303 AromaticContact CE2-CD1 3.64Å; F46-W303 AromaticContact CE2-NE1 3.8Å; F46-W303 AromaticContact CZ-CD1 3.96Å | ||
| 47 | R | 82.1 | Confident | 89.6 | Confident | 122 Ų | 122 | 50.6 Ų | 50.6 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | trans | -133.4 | 132 | 176.9 | -66.9 | -176.7 | -177.2 | -150.8 | 5.6 | 109.3 | H44 V49 H187 V189 | H44-R47 HydrophobicContact CB-CG 3.96Å; R47-V49 PolarHBondContact O-N 3.16Å; R47-V49 VanDerWaalsContact O-N 3.1Å; R47-H187 PolarHBondContact N-O 3.48Å; R47-V189 HydrophobicContact CB-CB 4.5Å; R47-V189 HydrophobicContact CB-CG1 3.6Å; R47-V189 HydrophobicContact CB-CG2 4.4Å | ||
| 48 | D | 75.9 | Confident | 89.6 | Confident | 160 Ų | 160 | 45.2 Ų | 45.2 | 86% | 0.856 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 55.3 | 24.9 | 178.8 | -55.6 | -35.7 | 0 | 0 | 0 | 114.9 | V189 | D48-V189 HydrophobicContact CB-CG1 4.03Å; D48-V189 WeakPolarHBondContact OD2-CG1 3.48Å |
| 49 | V | 78.4 | Confident | 89.6 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | trans | -93.1 | 154.3 | 171.9 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | L25 F46 R47 Y53 V54 C196 | L25-V49 HydrophobicContact CD1-CG2 4.28Å; F46-V49 HydrophobicContact CB-CG2 3.72Å; F46-V49 HydrophobicContact CD1-CG2 4.09Å; F46-V49 HydrophobicContact CG-CG2 4.31Å; R47-V49 PolarHBondContact O-N 3.16Å; R47-V49 VanDerWaalsContact O-N 3.1Å; V49-Y53 HydrophobicContact CB-CD1 4.04Å; V49-Y53 HydrophobicContact CG1-CD1 4.43Å; V49-Y53 HydrophobicContact CG2-CD1 4.25Å; V49-V54 HydrophobicContact CG2-CG2 3.82Å; V49-C196 HydrophobicContact CG1-CB 4.27Å | ||
| 50 | D | 81.6 | Confident | 89.6 | Confident | 95 Ų | 95 | 42 Ų | 42 | 51% | 0.508 | 21% | 0.213 | S | C | . | . | trans | -65.8 | 138.4 | 170.4 | -162 | -39.3 | 0 | 0 | 0 | 110.4 | A52 Y53 V54 | D50-A52 PolarHBondContact O-N 2.82Å; D50-A52 WeakPolarHBondContact OD1-CB 3.08Å; D50-A52 PolarHBondContact OD1-N 3.05Å; D50-Y53 VanDerWaalsContact O-CB 3.31Å; D50-Y53 WeakPolarHBondContact O-CB 3.43Å; D50-Y53 PolarHBondContact O-N 3.12Å; D50-Y53 VanDerWaalsContact O-N 3.12Å; D50-V54 PolarHBondContact O-N 3Å | ||
| 51 | Y | 83.9 | Confident | 89.5 | Confident | 71 Ų | 71 | 44.2 Ų | 44.2 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.1 | -29.5 | 173.6 | 177.3 | -106.7 | 0 | 0 | 0 | 112.1 | P24 Y53 V54 K55 E256 L274 | P24-Y51 HydrophobicContact CB-CD2 4.03Å; P24-Y51 HydrophobicContact CB-CE2 3.61Å; P24-Y51 HydrophobicContact CG-CD2 4.4Å; P24-Y51 HydrophobicContact CG-CE2 3.69Å; Y51-Y53 VanDerWaalsContact C-N 3.29Å; Y51-Y53 PolarHBondContact O-N 3.34Å; Y51-V54 PolarHBondContact O-N 2.99Å; Y51-K55 HydrophobicContact CD1-CD 4.42Å; Y51-K55 HydrophobicContact CE1-CD 3.95Å; Y51-K55 HydrophobicContact CE1-CG 4.45Å; Y51-K55 PolarHBondContact O-N 2.86Å; Y51-K55 VanDerWaalsContact O-N 3.14Å; Y51-K55 VanDerWaalsContact OH-CE 3.28Å; Y51-K55 WeakPolarHBondContact OH-CE 3.31Å; Y51-E256 HydrophobicContact CE2-CG 4.35Å; Y51-E256 PolarHBondContact OH-OE1 3.41Å; Y51-L274 HydrophobicContact CE2-CD2 3.85Å; Y51-L274 VanDerWaalsContact OH-CD2 3.27Å; Y51-L274 WeakPolarHBondContact OH-CD2 3.45Å |
| 52 | A | 84.5 | Confident | 89.4 | Confident | 43 Ų | 43 | 42.3 Ų | 42.3 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.9 | -35.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D50 K55 N56 | D50-A52 PolarHBondContact O-N 2.82Å; D50-A52 WeakPolarHBondContact OD1-CB 3.08Å; D50-A52 PolarHBondContact OD1-N 3.05Å; A52-K55 WeakPolarHBondContact O-CB 3.22Å; A52-K55 PolarHBondContact O-N 3.11Å; A52-N56 VanDerWaalsContact O-CG 3.3Å; A52-N56 PolarHBondContact O-N 3.17Å |
| 53 | Y | 84.5 | Confident | 89.1 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 174.8 | 163.3 | -97.6 | 0 | 0 | 0 | 111.2 | F46 V49 D50 Y51 K55 N56 L57 S103 C185 H187 C196 | F46-Y53 HydrophobicContact CD1-CE1 4.14Å; F46-Y53 AromaticContact CE1-CE1 3.91Å; F46-Y53 HydrophobicContact CE1-CE1 3.91Å; V49-Y53 HydrophobicContact CB-CD1 4.04Å; V49-Y53 HydrophobicContact CG1-CD1 4.43Å; V49-Y53 HydrophobicContact CG2-CD1 4.25Å; D50-Y53 VanDerWaalsContact O-CB 3.31Å; D50-Y53 WeakPolarHBondContact O-CB 3.43Å; D50-Y53 PolarHBondContact O-N 3.12Å; D50-Y53 VanDerWaalsContact O-N 3.12Å; Y51-Y53 VanDerWaalsContact C-N 3.29Å; Y51-Y53 PolarHBondContact O-N 3.34Å; Y53-K55 VanDerWaalsContact C-N 3.26Å; Y53-K55 PolarHBondContact O-N 2.99Å; Y53-N56 PolarHBondContact O-N 2.93Å; Y53-L57 HydrophobicContact CE1-CD1 3.84Å; Y53-L57 HydrophobicContact CE1-CG 4.27Å; Y53-L57 HydrophobicContact CE2-CD2 4.09Å; Y53-L57 HydrophobicContact CE2-CG 4.39Å; Y53-L57 PolarHBondContact O-N 3.31Å; Y53-L57 VanDerWaalsContact O-N 3.09Å; Y53-S103 WeakPolarHBondContact CE2-OG 3.31Å; Y53-C185 PolarHBondContact OH-SG 2.78Å; Y53-H187 AromaticContact CE1-ND1 3.9Å; Y53-H187 AromaticContact CZ-CE1 3.84Å; Y53-H187 AromaticContact CZ-ND1 3.85Å; Y53-H187 PolarHBondContact OH-CE1 3.42Å; Y53-H187 PolarHBondContact OH-ND1 2.77Å; Y53-H187 VanDerWaalsContact OH-ND1 3.13Å; Y53-C196 HydrophobicContact CD1-CB 3.98Å; Y53-C196 HydrophobicContact CD2-CB 3.91Å; Y53-C196 HydrophobicContact CE1-CB 3.8Å; Y53-C196 HydrophobicContact CE2-CB 3.72Å; Y53-C196 HydrophobicContact CG-CB 4.05Å; Y53-C196 PolarHBondContact OH-SG 3.46Å |
| 54 | V | 88.1 | Confident | 88.9 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.7 | -32.5 | 178.3 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | L25 F46 V49 D50 Y51 P259 L274 | L25-V54 HydrophobicContact CD1-CG2 3.81Å; F46-V54 HydrophobicContact CD1-CG2 4.03Å; F46-V54 HydrophobicContact CE1-CG2 4.45Å; F46-V54 HydrophobicContact CG-CG2 4.15Å; V49-V54 HydrophobicContact CG2-CG2 3.82Å; D50-V54 PolarHBondContact O-N 3Å; Y51-V54 PolarHBondContact O-N 2.99Å; V54-P259 HydrophobicContact CG1-CB 4.11Å; V54-P259 HydrophobicContact CG1-CG 3.71Å; V54-L274 HydrophobicContact CG1-CD1 4.05Å |
| 55 | K | 89.6 | Confident | 88.9 | Confident | 86 Ų | 86 | 51.3 Ų | 51.3 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 170.6 | -79.1 | -176 | 169.1 | 179.7 | 0 | 112.4 | Y51 A52 Y53 L57 C58 L274 | Y51-K55 HydrophobicContact CD1-CD 4.42Å; Y51-K55 HydrophobicContact CE1-CD 3.95Å; Y51-K55 HydrophobicContact CE1-CG 4.45Å; Y51-K55 PolarHBondContact O-N 2.86Å; Y51-K55 VanDerWaalsContact O-N 3.14Å; Y51-K55 VanDerWaalsContact OH-CE 3.28Å; Y51-K55 WeakPolarHBondContact OH-CE 3.31Å; A52-K55 WeakPolarHBondContact O-CB 3.22Å; A52-K55 PolarHBondContact O-N 3.11Å; Y53-K55 VanDerWaalsContact C-N 3.26Å; Y53-K55 PolarHBondContact O-N 2.99Å; K55-L57 PolarHBondContact O-N 3.43Å; K55-C58 VanDerWaalsContact O-CB 3.3Å; K55-C58 WeakPolarHBondContact O-CB 3.27Å; K55-C58 PolarHBondContact O-N 2.95Å; K55-L274 HydrophobicContact CG-CD2 3.9Å |
| 56 | N | 88.9 | Confident | 89.1 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.6 | -22.1 | 180 | -72.4 | -7.6 | 0 | 0 | 0 | 113.1 | A52 Y53 C58 G105 | A52-N56 VanDerWaalsContact O-CG 3.3Å; A52-N56 PolarHBondContact O-N 3.17Å; Y53-N56 PolarHBondContact O-N 2.93Å; N56-C58 PolarHBondContact O-N 2.79Å; N56-G105 WeakPolarHBondContact O-CA 3.27Å; N56-G105 PolarHBondContact O-N 2.98Å |
| 57 | L | 92 | Very high | 89.5 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.8 | 170.2 | -68.3 | -178.5 | 0 | 0 | 0 | 112.9 | F46 Y53 K55 G59 Q101 G102 H277 W299 | F46-L57 HydrophobicContact CE1-CD1 3.75Å; F46-L57 HydrophobicContact CZ-CD1 3.77Å; Y53-L57 HydrophobicContact CE1-CD1 3.84Å; Y53-L57 HydrophobicContact CE1-CG 4.27Å; Y53-L57 HydrophobicContact CE2-CD2 4.09Å; Y53-L57 HydrophobicContact CE2-CG 4.39Å; Y53-L57 PolarHBondContact O-N 3.31Å; Y53-L57 VanDerWaalsContact O-N 3.09Å; K55-L57 PolarHBondContact O-N 3.43Å; L57-G59 VanDerWaalsContact C-N 3.31Å; L57-G59 PolarHBondContact O-N 3.23Å; L57-G59 VanDerWaalsContact O-N 3.08Å; L57-Q101 HydrophobicContact CD2-CG 4.04Å; L57-Q101 PolarHBondContact O-NE2 3.11Å; L57-G102 WeakPolarHBondContact CD2-O 3.4Å; L57-H277 PolarHBondContact O-ND1 3.35Å; L57-W299 HydrophobicContact CB-CZ2 3.94Å; L57-W299 HydrophobicContact CD1-CD2 4.08Å; L57-W299 HydrophobicContact CD1-CG 4.25Å; L57-W299 HydrophobicContact CD1-CZ2 4.43Å |
| 58 | C | 95 | Very high | 90.2 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | trans | -84.2 | 71.5 | 177.2 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | K55 N56 T60 G276 | K55-C58 VanDerWaalsContact O-CB 3.3Å; K55-C58 WeakPolarHBondContact O-CB 3.27Å; K55-C58 PolarHBondContact O-N 2.95Å; N56-C58 PolarHBondContact O-N 2.79Å; C58-T60 PolarHBondContact O-N 3.43Å; C58-G276 CarbonylContact C-O 3.5Å; C58-G276 VanDerWaalsContact CA-O 3.26Å; C58-G276 WeakPolarHBondContact CA-O 3.38Å; C58-G276 WeakPolarHBondContact CB-O 3.46Å | ||
| 59 | G | 96.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | trans | -89.2 | 21 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116 | L57 G105 C107 W108 G150 G151 G276 | L57-G59 VanDerWaalsContact C-N 3.31Å; L57-G59 PolarHBondContact O-N 3.23Å; L57-G59 VanDerWaalsContact O-N 3.08Å; G59-G105 WeakPolarHBondContact CA-O 3.3Å; G59-C107 WeakPolarHBondContact CA-SG 3.42Å; G59-C107 PolarHBondContact N-SG 2.97Å; G59-W108 VanDerWaalsContact O-CD1 3.23Å; G59-G150 CarbonylContact O-C 3.55Å; G59-G150 WeakPolarHBondContact O-CA 3.13Å; G59-G151 PolarHBondContact O-N 2.97Å; G59-G276 PolarHBondContact N-O 3.09Å | ||
| 60 | T | 97.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -111 | 127.7 | -178.6 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | C58 L62 C107 P153 A251 G276 A278 | C58-T60 PolarHBondContact O-N 3.43Å; T60-L62 HydrophobicContact CG2-CD2 4.05Å; T60-L62 PolarHBondContact O-N 2.92Å; T60-C107 PolarHBondContact OG1-SG 3.01Å; T60-P153 HydrophobicContact CG2-CG 3.82Å; T60-A251 HydrophobicContact CG2-CB 3.87Å; T60-G276 PolarHBondContact N-O 3.27Å; T60-G276 WeakPolarHBondContact O-CA 3.43Å; T60-A278 HydrophobicContact CG2-CB 4.37Å; T60-A278 WeakPolarHBondContact OG1-CB 3.23Å; T60-A278 PolarHBondContact OG1-N 3.14Å |
| 61 | L | 96.8 | Very high | 92.2 | Very high | 51 Ų | 51 | 58.8 Ų | 58.8 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | trans | -87.7 | 93.9 | 174.6 | -58.9 | 175.3 | 0 | 0 | 0 | 109.2 | M146 G151 Y152 | L61-M146 HydrophobicContact CD1-CE 3.62Å; L61-M146 HydrophobicContact CD2-CE 4.5Å; L61-G151 PolarHBondContact N-O 3.44Å; L61-Y152 HydrophobicContact CB-CD1 3.75Å; L61-Y152 HydrophobicContact CB-CE1 3.33Å; L61-Y152 HydrophobicContact CD1-CE1 3.88Å; L61-Y152 HydrophobicContact CD1-CE2 3.87Å; L61-Y152 VanDerWaalsContact CD1-CZ 3.49Å; L61-Y152 WeakPolarHBondContact CD1-OH 3.42Å; L61-Y152 HydrophobicContact CG-CE1 4.26Å; L61-Y152 WeakPolarHBondContact O-CD1 3.24Å | ||
| 62 | L | 95.2 | Very high | 92.1 | Very high | 52 Ų | 52 | 56.1 Ų | 56.1 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 157.4 | 178.9 | -60 | 177.5 | 0 | 0 | 0 | 112.2 | T60 G64 A251 T253 E323 | T60-L62 HydrophobicContact CG2-CD2 4.05Å; T60-L62 PolarHBondContact O-N 2.92Å; L62-G64 PolarHBondContact O-N 2.84Å; L62-A251 HydrophobicContact CD2-CB 3.62Å; L62-T253 WeakPolarHBondContact CD1-OG1 3.44Å; L62-E323 WeakPolarHBondContact CA-OE1 3.48Å; L62-E323 WeakPolarHBondContact CB-OE1 3.46Å |
| 63 | K | 93.1 | Very high | 91.6 | Very high | 192 Ų | 192 | 63.7 Ų | 63.7 | 84% | 0.835 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 33.3 | -179.7 | -55.1 | 174 | -178.1 | 175.3 | 0 | 112.8 | E323 | K63-E323 PolarHBondContact N-OE1 3.35Å; K63-E323 PolarHBondContact N-OE2 3.05Å |
| 64 | G | 90.9 | Very high | 90.5 | Very high | 20 Ų | 20 | 65.3 Ų | 65.3 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | trans | -75.4 | -160.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L62 | L62-G64 PolarHBondContact O-N 2.84Š| ||
| 65 | P | 93.8 | Very high | 89.3 | Confident | 57 Ų | 57 | 74.7 Ų | 74.7 | 37% | 0.37 | 38% | 0.381 | S | S | . | . | trans | -57.2 | 156.9 | 174.3 | 24.9 | -32.6 | 0 | 0 | 0 | 111.3 | Y152 P154 N155 | P65-Y152 HydrophobicContact CG-CG 4.29Å; P65-P154 VanDerWaalsContact O-CG 3.24Å; P65-P154 WeakPolarHBondContact O-CG 3.35Å; P65-N155 WeakPolarHBondContact CG-OD1 3.27Å | ||
| 66 | K | 94.1 | Very high | 88.2 | Confident | 193 Ų | 193 | 74.4 Ų | 74.4 | 84% | 0.839 | 40% | 0.402 | S | S | * | . | trans | -119.1 | 134.5 | 178 | -65.1 | -169.4 | 176.5 | -166.8 | 0 | 110.2 | ||||
| 67 | L | 96.5 | Very high | 87.8 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 13% | 0.126 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 160.2 | 168 | -72.7 | 165.5 | 0 | 0 | 0 | 110.6 | V69 P154 W157 D158 A228 V325 | L67-V69 PolarHBondContact O-N 2.88Å; L67-P154 HydrophobicContact CD1-CB 4.1Å; L67-P154 WeakPolarHBondContact CD1-O 3.31Å; L67-P154 HydrophobicContact CG-CB 3.97Å; L67-W157 HydrophobicContact CD1-CB 4.21Å; L67-D158 HydrophobicContact CD2-CB 4.41Å; L67-A228 HydrophobicContact CD1-CB 3.92Å; L67-A228 HydrophobicContact CD2-CB 4.12Å; L67-V325 HydrophobicContact CD1-CB 4.39Å; L67-V325 HydrophobicContact CD1-CG1 4.09Å |
| 68 | P | 96.9 | Very high | 87.6 | Confident | 100 Ų | 100 | 84 Ų | 84 | 65% | 0.649 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -53 | 138.1 | 167.1 | -24.1 | 34.7 | 0 | 0 | 0 | 111 | Y229 G230 | P68-Y229 CarbonylContact O-C 3.46Å; P68-Y229 VanDerWaalsContact O-CA 3.23Å; P68-Y229 WeakPolarHBondContact O-CA 3.46Å; P68-Y229 VanDerWaalsContact O-CB 3.22Å; P68-Y229 WeakPolarHBondContact O-CB 3.44Å; P68-G230 PolarHBondContact O-N 2.91Å |
| 69 | V | 96.3 | Very high | 87.6 | Confident | 94 Ų | 94 | 85 Ų | 85 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | B | Isolated β-bridge | trans | -83.3 | 129.9 | -178.5 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | L67 V71 G230 P232 | L67-V69 PolarHBondContact O-N 2.88Å; V69-V71 HydrophobicContact CG1-CG2 4.39Å; V69-G230 WeakPolarHBondContact CA-O 3.38Å; V69-P232 HydrophobicContact CG1-CB 4.41Å; V69-P232 HydrophobicContact CG1-CG 3.58Å |
| 70 | M | 94 | Very high | 87.6 | Confident | 69 Ų | 69 | 87 Ų | 87 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | trans | -101.7 | 107.8 | 171 | -174 | 173.1 | -69.1 | 0 | 0 | 109.8 | Y229 G230 P232 | M70-Y229 HydrophobicContact CB-CD1 4.33Å; M70-Y229 HydrophobicContact CB-CD2 3.5Å; M70-Y229 VanDerWaalsContact CB-CD2 3.5Å; M70-Y229 HydrophobicContact CB-CE2 4.09Å; M70-Y229 HydrophobicContact CB-CG 3.63Å; M70-Y229 HydrophobicContact CE-CD1 3.41Å; M70-Y229 VanDerWaalsContact CE-CD1 3.41Å; M70-Y229 HydrophobicContact CE-CE1 3.56Å; M70-Y229 HydrophobicContact CE-CG 3.93Å; M70-Y229 HydrophobicContact CG-CD2 4.36Å; M70-Y229 HydrophobicContact CG-CG 4.5Å; M70-Y229 HydrophobicContact SD-CD1 3.97Å; M70-Y229 HydrophobicContact SD-CD2 4.17Å; M70-Y229 HydrophobicContact SD-CE1 3.72Å; M70-Y229 HydrophobicContact SD-CE2 3.93Å; M70-Y229 HydrophobicContact SD-CG 4.18Å; M70-G230 PolarHBondContact N-O 2.83Å; M70-P232 WeakPolarHBondContact O-CD 3.47Å | ||
| 71 | V | 88.3 | Confident | 87.6 | Confident | 85 Ų | 85 | 90.8 Ų | 90.8 | 52% | 0.515 | 49% | 0.49 | S | S | . | . | trans | -78.7 | 125 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | V69 Y73 P232 | V69-V71 HydrophobicContact CG1-CG2 4.39Å; V71-Y73 PolarHBondContact O-N 3.3Å; V71-P232 HydrophobicContact CG2-CG 4.15Å | ||
| 72 | Q | 81.3 | Confident | 87.7 | Confident | 15 Ų | 15 | 94 Ų | 94 | 7% | 0.07 | 50% | 0.504 | C | S | . | . | trans | -77.5 | 118.1 | 171.9 | -61 | -58.9 | -38.9 | 0 | 0 | 109.6 | A74 Q237 E241 | Q72-A74 PolarHBondContact O-N 3.09Å; Q72-A74 VanDerWaalsContact O-N 3.09Å; Q72-Q237 VanDerWaalsContact CB-OE1 3.3Å; Q72-Q237 PolarHBondContact O-NE2 2.93Å; Q72-Q237 PolarHBondContact O-OE1 2.99Å; Q72-E241 HydrophobicContact CG-CB 4.25Å; Q72-E241 PolarHBondContact NE2-OE2 2.83Å | ||
| 73 | Y | 74.8 | Confident | 87.8 | Confident | 203 Ų | 203 | 92.2 Ų | 92.2 | 80% | 0.796 | 49% | 0.494 | S | S | * | . | trans | -69 | 106.8 | 164.6 | -69.2 | -81.9 | 0 | 0 | 0 | 108.3 | V71 K244 | V71-Y73 PolarHBondContact O-N 3.3Å; Y73-K244 PolarHBondContact O-NZ 2.91Å | ||
| 74 | A | 61.4 | Low | 88.1 | Confident | 35 Ų | 35 | 84.1 Ų | 84.1 | 29% | 0.289 | 46% | 0.46 | S | S | . | . | trans | -102.2 | 5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q72 G76 M77 | Q72-A74 PolarHBondContact O-N 3.09Å; Q72-A74 VanDerWaalsContact O-N 3.09Å; A74-G76 PolarHBondContact O-N 2.65Å; A74-M77 PolarHBondContact O-N 2.77Å | ||
| 75 | E | 61.4 | Low | 88.5 | Confident | 198 Ų | 198 | 83.2 Ų | 83.2 | 93% | 0.925 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 113.2 | -173.7 | -158.1 | 172.5 | -164.3 | 0 | 0 | 111.1 | ||
| 76 | G | 67.2 | Low | 88.7 | Confident | 79 Ų | 79 | 82.7 Ų | 82.7 | 81% | 0.814 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | A74 K78 | A74-G76 PolarHBondContact O-N 2.65Å; G76-K78 PolarHBondContact O-N 3.32Å |
| 77 | M | 79.8 | Confident | 89 | Confident | 72 Ų | 72 | 80.5 Ų | 80.5 | 36% | 0.355 | 43% | 0.434 | S | S | . | . | trans | -80.7 | 112.3 | 178 | -174.7 | 165.6 | -76 | 0 | 0 | 111 | A74 L79 Y243 K244 | A74-M77 PolarHBondContact O-N 2.77Å; M77-L79 HydrophobicContact CG-CD2 3.99Å; M77-L79 HydrophobicContact CG-CG 4.34Å; M77-L79 PolarHBondContact O-N 2.93Å; M77-L79 HydrophobicContact SD-CD2 3.93Å; M77-Y243 HydrophobicContact SD-CD1 3.91Å; M77-Y243 HydrophobicContact SD-CE1 4.39Å; M77-K244 HydrophobicContact CE-CD 4.18Å; M77-K244 HydrophobicContact CE-CG 4.05Å; M77-K244 HydrophobicContact SD-CD 4.41Å; M77-K244 WeakPolarHBondContact SD-CE 3.47Å; M77-K244 HydrophobicContact SD-CG 4.18Å | ||
| 78 | K | 89.8 | Confident | 89 | Confident | 198 Ų | 198 | 83.9 Ų | 83.9 | 86% | 0.861 | 45% | 0.449 | S | S | * | . | trans | -86.8 | 99.5 | 171.2 | -69.6 | -176.6 | 179.7 | -179.3 | 0 | 109.5 | G76 | G76-K78 PolarHBondContact O-N 3.32Š| ||
| 79 | L | 94.4 | Very high | 89.1 | Confident | 38 Ų | 38 | 81.2 Ų | 81.2 | 20% | 0.199 | 43% | 0.426 | C | S | . | . | trans | -72.3 | 142.4 | 175.1 | -63 | 169.8 | 0 | 0 | 0 | 110.4 | M77 K239 Y243 W284 | M77-L79 HydrophobicContact CG-CD2 3.99Å; M77-L79 HydrophobicContact CG-CG 4.34Å; M77-L79 PolarHBondContact O-N 2.93Å; M77-L79 HydrophobicContact SD-CD2 3.93Å; L79-K239 HydrophobicContact CD1-CB 3.64Å; L79-Y243 HydrophobicContact CD2-CD1 3.99Å; L79-Y243 HydrophobicContact CD2-CD2 4.31Å; L79-Y243 HydrophobicContact CD2-CG 3.76Å; L79-W284 HydrophobicContact CB-CZ2 4.44Å | ||
| 80 | P | 96.9 | Very high | 89.2 | Confident | 46 Ų | 46 | 80.8 Ų | 80.8 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | trans | -68.4 | 156.6 | 176.1 | 31.8 | -37.8 | 0 | 0 | 0 | 111.4 | E82 F83 Y243 W284 | P80-E82 VanDerWaalsContact C-N 3.27Å; P80-E82 VanDerWaalsContact CB-O 3.31Å; P80-E82 WeakPolarHBondContact CB-O 3.24Å; P80-E82 WeakPolarHBondContact CG-O 3.43Å; P80-E82 PolarHBondContact O-N 3.4Å; P80-F83 HydrophobicContact CG-CB 4.16Å; P80-F83 HydrophobicContact CG-CD2 4.17Å; P80-Y243 HydrophobicContact CG-CD2 4.34Å; P80-Y243 HydrophobicContact CG-CE2 4.03Å; P80-W284 HydrophobicContact CG-CZ2 4.04Å; P80-W284 PolarHBondContact O-NE1 3.02Å | ||
| 81 | A | 96.8 | Very high | 89.4 | Confident | 85 Ų | 85 | 83.6 Ų | 83.6 | 70% | 0.702 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -64.7 | -35 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | W284 | A81-W284 VanDerWaalsContact O-CD1 3.24Å; A81-W284 PolarHBondContact O-NE1 2.97Å |
| 82 | E | 98.4 | Very high | 89.9 | Confident | 118 Ų | 118 | 79.8 Ų | 79.8 | 55% | 0.551 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -127.3 | 145.5 | 175.4 | -57 | -174.3 | 175.3 | 0 | 0 | 109.5 | P80 W284 | P80-E82 VanDerWaalsContact C-N 3.27Å; P80-E82 VanDerWaalsContact CB-O 3.31Å; P80-E82 WeakPolarHBondContact CB-O 3.24Å; P80-E82 WeakPolarHBondContact CG-O 3.43Å; P80-E82 PolarHBondContact O-N 3.4Å; E82-W284 CarbonylContact C-O 3.55Å; E82-W284 WeakPolarHBondContact CA-O 3.5Å |
| 83 | F | 98.8 | Very high | 90.7 | Very high | 16 Ų | 16 | 83 Ų | 83 | 7% | 0.07 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 134.4 | 177.8 | -177.3 | -96.8 | 0 | 0 | 0 | 110 | P80 Q88 W89 I242 Y243 G283 W284 | P80-F83 HydrophobicContact CG-CB 4.16Å; P80-F83 HydrophobicContact CG-CD2 4.17Å; F83-Q88 HydrophobicContact CE2-CB 3.76Å; F83-Q88 HydrophobicContact CE2-CG 3.8Å; F83-Q88 HydrophobicContact CZ-CB 3.73Å; F83-Q88 HydrophobicContact CZ-CG 3.81Å; F83-W89 HydrophobicContact CE1-CH2 4.38Å; F83-W89 HydrophobicContact CE1-CZ3 4.04Å; F83-W89 AromaticContact CZ-CH2 3.74Å; F83-W89 HydrophobicContact CZ-CH2 3.74Å; F83-W89 AromaticContact CZ-CZ3 3.64Å; F83-W89 HydrophobicContact CZ-CZ3 3.64Å; F83-I242 HydrophobicContact CD1-CG2 4Å; F83-I242 HydrophobicContact CE1-CG2 3.73Å; F83-Y243 AromaticContact CD2-CD2 3.6Å; F83-Y243 HydrophobicContact CD2-CD2 3.6Å; F83-Y243 AromaticContact CD2-CE2 3.93Å; F83-Y243 HydrophobicContact CD2-CE2 3.93Å; F83-Y243 AromaticContact CE2-CD2 3.45Å; F83-Y243 HydrophobicContact CE2-CD2 3.45Å; F83-Y243 VanDerWaalsContact CE2-CD2 3.45Å; F83-Y243 AromaticContact CE2-CE2 3.78Å; F83-Y243 HydrophobicContact CE2-CE2 3.78Å; F83-Y243 HydrophobicContact CE2-CG 4.48Å; F83-Y243 HydrophobicContact CG-CD2 4.39Å; F83-Y243 HydrophobicContact CZ-CD2 4.15Å; F83-G283 CarbonylContact O-C 3.41Å; F83-G283 WeakPolarHBondContact O-CA 3.24Å; F83-W284 HydrophobicContact CB-CD2 3.72Å; F83-W284 VanDerWaalsContact CB-CE2 3.45Å; F83-W284 HydrophobicContact CB-CE3 3.81Å; F83-W284 HydrophobicContact CB-CH2 3.39Å; F83-W284 HydrophobicContact CB-CZ2 3.32Å; F83-W284 HydrophobicContact CB-CZ3 3.65Å; F83-W284 HydrophobicContact CD1-CE3 4.05Å; F83-W284 AromaticContact CD1-CH2 3.69Å; F83-W284 HydrophobicContact CD1-CH2 3.69Å; F83-W284 HydrophobicContact CD1-CZ2 4.5Å; F83-W284 AromaticContact CD1-CZ3 3.43Å; F83-W284 HydrophobicContact CD1-CZ3 3.43Å; F83-W284 VanDerWaalsContact CD1-CZ3 3.43Å; F83-W284 HydrophobicContact CD2-CH2 4.14Å; F83-W284 HydrophobicContact CE1-CZ3 4.27Å; F83-W284 HydrophobicContact CG-CE3 4.28Å; F83-W284 AromaticContact CG-CH2 3.46Å; F83-W284 HydrophobicContact CG-CH2 3.46Å; F83-W284 VanDerWaalsContact CG-CH2 3.46Å; F83-W284 AromaticContact CG-CZ2 3.9Å; F83-W284 HydrophobicContact CG-CZ2 3.9Å; F83-W284 AromaticContact CG-CZ3 3.69Å; F83-W284 HydrophobicContact CG-CZ3 3.69Å; F83-W284 PolarHBondContact N-O 3.1Å; F83-W284 PolarHBondContact O-N 3.45Å |
| 84 | D | 98.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 73.6 Ų | 73.6 | 12% | 0.118 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 117.7 | 172.3 | -171.7 | -28.9 | 0 | 0 | 0 | 108.8 | R86 E87 Q88 L294 | D84-R86 PolarHBondContact O-N 2.72Å; D84-R86 VanDerWaalsContact O-N 3.11Å; D84-R86 WeakPolarHBondContact OD1-CB 3.45Å; D84-R86 VanDerWaalsContact OD1-CG 3.29Å; D84-R86 WeakPolarHBondContact OD1-CG 3.29Å; D84-R86 IonicContact OD1-CZ 3.93Å; D84-R86 PolarHBondContact OD1-N 3.32Å; D84-R86 IonicContact OD1-NE 2.99Å; D84-R86 PolarHBondContact OD1-NE 2.96Å; D84-R86 IonicContact OD2-CZ 3.23Å; D84-R86 VanDerWaalsContact OD2-CZ 3.23Å; D84-R86 IonicContact OD2-NE 3Å; D84-R86 PolarHBondContact OD2-NE 3.22Å; D84-R86 IonicContact OD2-NH2 2.65Å; D84-R86 PolarHBondContact OD2-NH2 2.92Å; D84-E87 HydrophobicContact CB-CB 4.4Å; D84-E87 HydrophobicContact CB-CG 4.05Å; D84-E87 PolarHBondContact O-N 3.15Å; D84-Q88 PolarHBondContact O-N 3.44Å; D84-Q88 VanDerWaalsContact O-N 3.09Å; D84-L294 HydrophobicContact CB-CD2 4.44Å; D84-L294 WeakPolarHBondContact OD2-CD2 3.49Å |
| 85 | S | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.7 | -31.5 | 179.6 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | E87 Q88 W89 L95 L282 | S85-E87 PolarHBondContact O-N 3.3Å; S85-Q88 PolarHBondContact O-N 3.19Å; S85-W89 PolarHBondContact O-N 3.37Å; S85-L95 WeakPolarHBondContact O-CD1 3.43Å; S85-L282 VanDerWaalsContact CB-O 3.29Å; S85-L282 WeakPolarHBondContact CB-O 3.49Å; S85-L282 PolarHBondContact N-O 3.49Å; S85-L282 PolarHBondContact OG-O 3.15Å |
| 86 | R | 98.8 | Very high | 95.3 | Very high | 47 Ų | 47 | 69.3 Ų | 69.3 | 18% | 0.177 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.6 | -24.8 | 180 | -57.3 | 171.6 | -62.2 | 178.3 | 3 | 113 | D84 L95 R96 L282 Y308 | D84-R86 PolarHBondContact O-N 2.72Å; D84-R86 VanDerWaalsContact O-N 3.11Å; D84-R86 WeakPolarHBondContact OD1-CB 3.45Å; D84-R86 VanDerWaalsContact OD1-CG 3.29Å; D84-R86 WeakPolarHBondContact OD1-CG 3.29Å; D84-R86 IonicContact OD1-CZ 3.93Å; D84-R86 PolarHBondContact OD1-N 3.32Å; D84-R86 IonicContact OD1-NE 2.99Å; D84-R86 PolarHBondContact OD1-NE 2.96Å; D84-R86 IonicContact OD2-CZ 3.23Å; D84-R86 VanDerWaalsContact OD2-CZ 3.23Å; D84-R86 IonicContact OD2-NE 3Å; D84-R86 PolarHBondContact OD2-NE 3.22Å; D84-R86 IonicContact OD2-NH2 2.65Å; D84-R86 PolarHBondContact OD2-NH2 2.92Å; R86-L95 HydrophobicContact CG-CB 3.96Å; R86-L95 WeakPolarHBondContact CG-O 3.4Å; R86-R96 HydrophobicContact CB-CG 4.31Å; R86-R96 HydrophobicContact CG-CG 4.1Å; R86-R96 PolarHBondContact O-NH2 2.62Å; R86-R96 VanDerWaalsContact O-NH2 3.09Å; R86-L282 HydrophobicContact CG-CD1 3.83Å; R86-Y308 VanDerWaalsContact NH1-CE2 3.32Å; R86-Y308 PolarHBondContact NH1-OH 3.36Å |
| 87 | E | 98.6 | Very high | 96.8 | Very high | 147 Ų | 147 | 67.2 Ų | 67.2 | 69% | 0.687 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -89.7 | -36.8 | 175.8 | -61.5 | -173.1 | 169.9 | 0 | 0 | 111.1 | D84 S85 P90 | D84-E87 HydrophobicContact CB-CB 4.4Å; D84-E87 HydrophobicContact CB-CG 4.05Å; D84-E87 PolarHBondContact O-N 3.15Å; S85-E87 PolarHBondContact O-N 3.3Å; E87-P90 WeakPolarHBondContact O-CD 3.27Å |
| 88 | Q | 98.4 | Very high | 97.7 | Very high | 94 Ų | 94 | 64.6 Ų | 64.6 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 178.3 | -179.4 | 60.7 | 34.6 | 0 | 0 | 112.6 | F83 D84 S85 P90 | F83-Q88 HydrophobicContact CE2-CB 3.76Å; F83-Q88 HydrophobicContact CE2-CG 3.8Å; F83-Q88 HydrophobicContact CZ-CB 3.73Å; F83-Q88 HydrophobicContact CZ-CG 3.81Å; D84-Q88 PolarHBondContact O-N 3.44Å; D84-Q88 VanDerWaalsContact O-N 3.09Å; S85-Q88 PolarHBondContact O-N 3.19Å; Q88-P90 VanDerWaalsContact C-CD 3.48Å; Q88-P90 WeakPolarHBondContact O-CD 3.32Å |
| 89 | W | 98.6 | Very high | 98.1 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 17% | 0.17 | 29% | 0.288 | C | S | . | . | trans | -125 | 67.7 | -178.3 | -59.4 | -75.5 | 0 | 0 | 0 | 111.4 | F83 S85 N91 C92 L95 I122 I242 Y243 | F83-W89 HydrophobicContact CE1-CH2 4.38Å; F83-W89 HydrophobicContact CE1-CZ3 4.04Å; F83-W89 AromaticContact CZ-CH2 3.74Å; F83-W89 HydrophobicContact CZ-CH2 3.74Å; F83-W89 AromaticContact CZ-CZ3 3.64Å; F83-W89 HydrophobicContact CZ-CZ3 3.64Å; S85-W89 PolarHBondContact O-N 3.37Å; W89-N91 PolarHBondContact O-N 3.14Å; W89-N91 VanDerWaalsContact O-N 3.12Å; W89-C92 HydrophobicContact CB-CB 4.38Å; W89-C92 PolarHBondContact O-N 3.33Å; W89-L95 HydrophobicContact CB-CD1 3.73Å; W89-L95 HydrophobicContact CE3-CD1 4.49Å; W89-L95 WeakPolarHBondContact O-CD1 3.19Å; W89-I122 HydrophobicContact CB-CG1 4.12Å; W89-I122 HydrophobicContact CD2-CD1 3.72Å; W89-I122 HydrophobicContact CD2-CG1 3.73Å; W89-I122 HydrophobicContact CD2-CG2 4.21Å; W89-I122 HydrophobicContact CE3-CD1 3.54Å; W89-I122 HydrophobicContact CE3-CG1 4.09Å; W89-I122 HydrophobicContact CG-CD1 4.22Å; W89-I122 HydrophobicContact CG-CG1 3.74Å; W89-I122 HydrophobicContact CH2-CD1 4.42Å; W89-I122 HydrophobicContact CZ2-CG2 4.01Å; W89-I122 HydrophobicContact CZ3-CD1 3.93Å; W89-I242 WeakPolarHBondContact CH2-O 3.49Å; W89-Y243 WeakPolarHBondContact CH2-O 3.45Å | ||
| 90 | P | 97.8 | Very high | 98.2 | Very high | 84 Ų | 84 | 54 Ų | 54 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19 | -173.9 | 28.6 | -36 | 0 | 0 | 0 | 113.4 | E87 Q88 C92 | E87-P90 WeakPolarHBondContact O-CD 3.27Å; Q88-P90 VanDerWaalsContact C-CD 3.48Å; Q88-P90 WeakPolarHBondContact O-CD 3.32Å; P90-C92 PolarHBondContact O-N 3.19Å |
| 91 | N | 97.6 | Very high | 98.1 | Very high | 129 Ų | 129 | 51.8 Ų | 51.8 | 69% | 0.69 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -1.1 | 176.9 | -62.9 | -27 | 0 | 0 | 0 | 113.3 | W89 P93 | W89-N91 PolarHBondContact O-N 3.14Å; W89-N91 VanDerWaalsContact O-N 3.12Å; N91-P93 VanDerWaalsContact O-CD 3.28Å; N91-P93 WeakPolarHBondContact O-CD 3.2Å |
| 92 | C | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | trans | -106.6 | 92.8 | 177.8 | -69.4 | 0 | 0 | 0 | 0 | 110.6 | W89 P90 T94 L95 C121 | W89-C92 HydrophobicContact CB-CB 4.38Å; W89-C92 PolarHBondContact O-N 3.33Å; P90-C92 PolarHBondContact O-N 3.19Å; C92-T94 VanDerWaalsContact C-N 3.26Å; C92-T94 PolarHBondContact O-N 3.38Å; C92-L95 HydrophobicContact CB-CD1 3.64Å; C92-L95 HydrophobicContact CB-CG 4.15Å; C92-L95 WeakPolarHBondContact O-CB 3.42Å; C92-L95 PolarHBondContact O-N 3.17Å; C92-C121 WeakPolarHBondContact CA-SG 3.33Å; C92-C121 HydrophobicContact CB-CB 3.74Å; C92-C121 WeakPolarHBondContact CB-SG 3.26Å; C92-C121 WeakPolarHBondContact SG-CB 3.01Å; C92-C121 CovalentContact SG-SG 2.04Å; C92-C121 PolarHBondContact SG-SG 2.91Å | ||
| 93 | P | 98.1 | Very high | 97.4 | Very high | 82 Ų | 82 | 43.4 Ų | 43.4 | 53% | 0.532 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -64.8 | -28.6 | -173.2 | 25.8 | -35.4 | 0 | 0 | 0 | 113.4 | N91 L95 R96 S129 | N91-P93 VanDerWaalsContact O-CD 3.28Å; N91-P93 WeakPolarHBondContact O-CD 3.2Å; P93-L95 PolarHBondContact O-N 2.62Å; P93-L95 VanDerWaalsContact O-N 3.11Å; P93-R96 PolarHBondContact O-N 2.79Å; P93-S129 WeakPolarHBondContact CD-OG 3.41Å; P93-S129 WeakPolarHBondContact CG-OG 3.48Å |
| 94 | T | 98.4 | Very high | 97.2 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -57.5 | -25.9 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 113 | C92 R96 E97 D118 E131 | C92-T94 VanDerWaalsContact C-N 3.26Å; C92-T94 PolarHBondContact O-N 3.38Å; T94-R96 PolarHBondContact O-N 2.87Å; T94-E97 WeakPolarHBondContact O-CB 3.35Å; T94-E97 PolarHBondContact O-N 3Å; T94-E97 VanDerWaalsContact O-N 3.13Å; T94-D118 WeakPolarHBondContact CB-OD1 3.22Å; T94-D118 PolarHBondContact OG1-OD1 3.39Å; T94-E131 HydrophobicContact CG2-CG 4.47Å |
| 95 | L | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -64.3 | -23.3 | 177.6 | -71.7 | 165.3 | 0 | 0 | 0 | 113.1 | S85 R86 W89 C92 P93 D118 I122 P247 | S85-L95 WeakPolarHBondContact O-CD1 3.43Å; R86-L95 HydrophobicContact CG-CB 3.96Å; R86-L95 WeakPolarHBondContact CG-O 3.4Å; W89-L95 HydrophobicContact CB-CD1 3.73Å; W89-L95 HydrophobicContact CE3-CD1 4.49Å; W89-L95 WeakPolarHBondContact O-CD1 3.19Å; C92-L95 HydrophobicContact CB-CD1 3.64Å; C92-L95 HydrophobicContact CB-CG 4.15Å; C92-L95 WeakPolarHBondContact O-CB 3.42Å; C92-L95 PolarHBondContact O-N 3.17Å; P93-L95 PolarHBondContact O-N 2.62Å; P93-L95 VanDerWaalsContact O-N 3.11Å; L95-D118 WeakPolarHBondContact CA-OD1 3.3Å; L95-D118 HydrophobicContact CD2-CB 3.75Å; L95-D118 VanDerWaalsContact CD2-CG 3.46Å; L95-D118 WeakPolarHBondContact CD2-OD2 3.21Å; L95-D118 HydrophobicContact CG-CB 4.29Å; L95-D118 PolarHBondContact N-OD1 2.86Å; L95-I122 HydrophobicContact CD1-CD1 4.5Å; L95-I122 HydrophobicContact CD2-CD1 4.38Å; L95-P247 HydrophobicContact CD2-CG 3.46Å; L95-P247 VanDerWaalsContact CD2-CG 3.46Å |
| 96 | R | 98.5 | Very high | 96.9 | Very high | 142 Ų | 142 | 41.8 Ų | 41.8 | 54% | 0.536 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -98.8 | -8.1 | -179.8 | -62.5 | -179.3 | 177.8 | -82.5 | -7.8 | 112.7 | R86 P93 T94 Y308 | R86-R96 HydrophobicContact CB-CG 4.31Å; R86-R96 HydrophobicContact CG-CG 4.1Å; R86-R96 PolarHBondContact O-NH2 2.62Å; R86-R96 VanDerWaalsContact O-NH2 3.09Å; P93-R96 PolarHBondContact O-N 2.79Å; T94-R96 PolarHBondContact O-N 2.87Å; R96-Y308 PolarHBondContact O-OH 2.77Å |
| 97 | E | 98.2 | Very high | 96.9 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 16% | 0.159 | 20% | 0.2 | C | C | . | . | trans | -73.7 | 129.8 | 178.5 | -172.8 | 179.9 | -140.7 | 0 | 0 | 110 | T94 R99 | T94-E97 WeakPolarHBondContact O-CB 3.35Å; T94-E97 PolarHBondContact O-N 3Å; T94-E97 VanDerWaalsContact O-N 3.13Å; E97-R99 HydrophobicContact CG-CG 4.09Å; E97-R99 IonicContact OE2-CZ 2.83Å; E97-R99 VanDerWaalsContact OE2-CZ 3.3Å; E97-R99 IonicContact OE2-NE 2.76Å; E97-R99 PolarHBondContact OE2-NE 2.93Å; E97-R99 IonicContact OE2-NH2 3.26Å; E97-R99 PolarHBondContact OE2-NH2 2.93Å | ||
| 98 | I | 98.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 9% | 0.087 | 17% | 0.168 | C | C | . | . | trans | -110.2 | 129.9 | 165.7 | -66.9 | -60.1 | 0 | 0 | 0 | 107 | A296 N300 T301 Y308 | I98-A296 HydrophobicContact CD1-CB 3.65Å; I98-N300 VanDerWaalsContact CG2-C 3.5Å; I98-T301 HydrophobicContact CB-CG2 3.77Å; I98-T301 HydrophobicContact CG1-CG2 4.34Å; I98-T301 HydrophobicContact CG2-CG2 3.95Å; I98-Y308 HydrophobicContact CD1-CD1 4.08Å; I98-Y308 HydrophobicContact CD1-CD2 4.2Å; I98-Y308 HydrophobicContact CD1-CE1 3.71Å; I98-Y308 HydrophobicContact CD1-CE2 3.84Å; I98-Y308 HydrophobicContact CD1-CG 4.31Å; I98-Y308 HydrophobicContact CG1-CD2 4.36Å; I98-Y308 HydrophobicContact CG1-CE2 3.81Å | ||
| 99 | R | 97.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | trans | -105.3 | 173.9 | -179 | -51.1 | -169.1 | 169.4 | -168.4 | -6.6 | 111.9 | E97 F110 E114 E131 I132 L170 S298 N300 | E97-R99 HydrophobicContact CG-CG 4.09Å; E97-R99 IonicContact OE2-CZ 2.83Å; E97-R99 VanDerWaalsContact OE2-CZ 3.3Å; E97-R99 IonicContact OE2-NE 2.76Å; E97-R99 PolarHBondContact OE2-NE 2.93Å; E97-R99 IonicContact OE2-NH2 3.26Å; E97-R99 PolarHBondContact OE2-NH2 2.93Å; R99-F110 HydrophobicContact CB-CD1 3.68Å; R99-F110 HydrophobicContact CB-CE1 3.61Å; R99-F110 HydrophobicContact CG-CD1 4.46Å; R99-E114 HydrophobicContact CG-CG 4.17Å; R99-E131 VanDerWaalsContact NH2-CB 3.31Å; R99-I132 PolarHBondContact NH1-O 3.24Å; R99-L170 HydrophobicContact CB-CD2 3.83Å; R99-L170 HydrophobicContact CG-CD2 3.8Å; R99-S298 CarbonylContact O-C 3.47Å; R99-S298 VanDerWaalsContact O-C 3.32Å; R99-N300 PolarHBondContact O-N 2.65Å; R99-N300 VanDerWaalsContact O-N 3.08Å | ||
| 100 | D | 96.2 | Very high | 96.9 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.053 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -131 | 120.3 | 177.7 | -165.8 | -25.2 | 0 | 0 | 0 | 109.6 | G102 F110 P184 S298 N300 | D100-G102 PolarHBondContact O-N 3.27Å; D100-G102 WeakPolarHBondContact OD1-CA 3.36Å; D100-G102 PolarHBondContact OD1-N 3.29Å; D100-F110 WeakPolarHBondContact O-CZ 3.38Å; D100-P184 HydrophobicContact CB-CB 4.15Å; D100-P184 HydrophobicContact CB-CG 4.27Å; D100-P184 WeakPolarHBondContact OD2-CB 3.4Å; D100-S298 WeakPolarHBondContact CA-O 3.16Å; D100-N300 HydrophobicContact CB-CB 4.01Å; D100-N300 WeakPolarHBondContact OD2-CB 3.38Å; D100-N300 PolarHBondContact OD2-ND2 3.01Å |
| 101 | Q | 95.2 | Very high | 97 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -78.9 | -4.7 | 177.3 | 74.3 | -174.7 | 77.1 | 0 | 0 | 113.5 | L57 C104 F110 Y180 H277 S298 | L57-Q101 HydrophobicContact CD2-CG 4.04Å; L57-Q101 PolarHBondContact O-NE2 3.11Å; Q101-C104 WeakPolarHBondContact CG-O 3.47Å; Q101-C104 PolarHBondContact NE2-O 3.02Å; Q101-F110 HydrophobicContact CB-CD2 3.91Å; Q101-F110 HydrophobicContact CB-CE2 3.74Å; Q101-F110 HydrophobicContact CB-CG 4.39Å; Q101-F110 HydrophobicContact CB-CZ 4.08Å; Q101-Y180 PolarHBondContact O-OH 3.35Å; Q101-H277 PolarHBondContact OE1-CE1 3.01Å; Q101-S298 WeakPolarHBondContact CG-O 3.18Å; Q101-S298 PolarHBondContact N-O 3.18Å; Q101-S298 PolarHBondContact OE1-OG 3.27Å | ||
| 102 | G | 91.9 | Very high | 97 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -148.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L57 D100 C104 | L57-G102 WeakPolarHBondContact CD2-O 3.4Å; D100-G102 PolarHBondContact O-N 3.27Å; D100-G102 WeakPolarHBondContact OD1-CA 3.36Å; D100-G102 PolarHBondContact OD1-N 3.29Å; G102-C104 PolarHBondContact O-N 3.35Å |
| 103 | S | 90.2 | Very high | 97.1 | Very high | 27 Ų | 27 | 15.9 Ų | 15.9 | 19% | 0.189 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 40.8 | 178.4 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | Y53 T197 | Y53-S103 WeakPolarHBondContact CE2-OG 3.31Å; S103-T197 PolarHBondContact OG-O 3.12Å |
| 104 | C | 92.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.014 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -132.4 | 131.5 | -176.5 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | Q101 G102 S106 C148 I182 | Q101-C104 WeakPolarHBondContact CG-O 3.47Å; Q101-C104 PolarHBondContact NE2-O 3.02Å; G102-C104 PolarHBondContact O-N 3.35Å; C104-S106 PolarHBondContact O-N 3.13Å; C104-S106 WeakPolarHBondContact SG-CB 3.21Å; C104-S106 PolarHBondContact SG-OG 2.79Å; C104-S106 VanDerWaalsContact SG-OG 3.4Å; C104-C148 HydrophobicContact CB-CB 3.86Å; C104-C148 WeakPolarHBondContact CB-SG 3.38Å; C104-C148 WeakPolarHBondContact SG-CA 3.39Å; C104-C148 WeakPolarHBondContact SG-CB 3.12Å; C104-C148 CovalentContact SG-SG 2.03Å; C104-C148 PolarHBondContact SG-SG 3.28Å; C104-I182 HydrophobicContact CB-CD1 3.75Å; C104-I182 HydrophobicContact CB-CG2 4.4Å |
| 105 | G | 95.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.01 | 5% | 0.054 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 55.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N56 G59 W108 C148 G150 | N56-G105 WeakPolarHBondContact O-CA 3.27Å; N56-G105 PolarHBondContact O-N 2.98Å; G59-G105 WeakPolarHBondContact CA-O 3.3Å; G105-W108 PolarHBondContact O-NE1 3.03Å; G105-C148 WeakPolarHBondContact CA-O 3.11Å; G105-C148 PolarHBondContact N-O 2.94Å; G105-G150 WeakPolarHBondContact O-CA 3.22Å |
| 106 | S | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | trans | -104.2 | 12.8 | -176.1 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | C104 W108 A109 F110 Y180 | C104-S106 PolarHBondContact O-N 3.13Å; C104-S106 WeakPolarHBondContact SG-CB 3.21Å; C104-S106 PolarHBondContact SG-OG 2.79Å; C104-S106 VanDerWaalsContact SG-OG 3.4Å; S106-W108 PolarHBondContact O-N 3.1Å; S106-A109 WeakPolarHBondContact O-CA 3.4Å; S106-A109 WeakPolarHBondContact O-CB 3.43Å; S106-A109 PolarHBondContact O-N 3.44Å; S106-F110 WeakPolarHBondContact O-CD2 3.28Å; S106-F110 PolarHBondContact O-N 3.05Å; S106-F110 VanDerWaalsContact O-N 3.11Å; S106-F110 VanDerWaalsContact OG-CE2 3.29Å; S106-F110 WeakPolarHBondContact OG-CE2 3.45Å; S106-Y180 PolarHBondContact OG-OH 2.82Å | ||
| 107 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -49.8 | -35.3 | 178.6 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | G59 T60 A109 F110 G111 H277 | G59-C107 WeakPolarHBondContact CA-SG 3.42Å; G59-C107 PolarHBondContact N-SG 2.97Å; T60-C107 PolarHBondContact OG1-SG 3.01Å; C107-A109 PolarHBondContact O-N 3.16Å; C107-F110 PolarHBondContact O-N 2.97Å; C107-G111 PolarHBondContact O-N 2.73Å; C107-H277 WeakPolarHBondContact CB-CE1 3.2Å; C107-H277 VanDerWaalsContact CB-ND1 3.31Å; C107-H277 WeakPolarHBondContact CB-ND1 3.31Å; C107-H277 PolarHBondContact SG-ND1 3.1Å; C107-H277 VanDerWaalsContact SG-ND1 3.42Å |
| 108 | W | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 3.5 Ų | 3.5 | 1% | 0.008 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -62.8 | -25.1 | 174.7 | 67.4 | -90.3 | 0 | 0 | 0 | 114.2 | G59 G105 S106 L137 L138 C144 G147 P153 A156 | G59-W108 VanDerWaalsContact O-CD1 3.23Å; G105-W108 PolarHBondContact O-NE1 3.03Å; S106-W108 PolarHBondContact O-N 3.1Å; W108-L137 HydrophobicContact CH2-CG 4.41Å; W108-L137 HydrophobicContact CZ3-CD1 4.14Å; W108-L137 HydrophobicContact CZ3-CD2 4.45Å; W108-L137 HydrophobicContact CZ3-CG 3.95Å; W108-L138 HydrophobicContact CZ2-CD1 4.09Å; W108-C144 HydrophobicContact CE3-CB 4.07Å; W108-C144 HydrophobicContact CH2-CB 3.35Å; W108-C144 HydrophobicContact CZ2-CB 4.26Å; W108-C144 HydrophobicContact CZ3-CB 3.25Å; W108-G147 PolarHBondContact NE1-O 3.32Å; W108-P153 HydrophobicContact CB-CG 4.13Å; W108-A156 HydrophobicContact CE3-CB 4.02Å; W108-A156 HydrophobicContact CZ3-CB 4.05Å |
| 109 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -90.1 | -31.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S106 C107 A113 L137 L138 | S106-A109 WeakPolarHBondContact O-CA 3.4Å; S106-A109 WeakPolarHBondContact O-CB 3.43Å; S106-A109 PolarHBondContact O-N 3.44Å; C107-A109 PolarHBondContact O-N 3.16Å; A109-A113 WeakPolarHBondContact O-CB 3.48Å; A109-A113 PolarHBondContact O-N 3.43Å; A109-L137 HydrophobicContact CB-CB 4.35Å; A109-L137 HydrophobicContact CB-CD2 3.79Å; A109-L137 HydrophobicContact CB-CG 3.9Å; A109-L138 HydrophobicContact CB-CB 4.39Å |
| 110 | F | 98.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 2.5 Ų | 2.5 | 1% | 0.013 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -69.3 | -51.2 | 177.7 | -85.8 | -101.8 | 0 | 0 | 0 | 112.1 | R99 D100 Q101 S106 C107 A112 A113 E114 A134 Y180 | R99-F110 HydrophobicContact CB-CD1 3.68Å; R99-F110 HydrophobicContact CB-CE1 3.61Å; R99-F110 HydrophobicContact CG-CD1 4.46Å; D100-F110 WeakPolarHBondContact O-CZ 3.38Å; Q101-F110 HydrophobicContact CB-CD2 3.91Å; Q101-F110 HydrophobicContact CB-CE2 3.74Å; Q101-F110 HydrophobicContact CB-CG 4.39Å; Q101-F110 HydrophobicContact CB-CZ 4.08Å; S106-F110 WeakPolarHBondContact O-CD2 3.28Å; S106-F110 PolarHBondContact O-N 3.05Å; S106-F110 VanDerWaalsContact O-N 3.11Å; S106-F110 VanDerWaalsContact OG-CE2 3.29Å; S106-F110 WeakPolarHBondContact OG-CE2 3.45Å; C107-F110 PolarHBondContact O-N 2.97Å; F110-A112 VanDerWaalsContact C-N 3.25Å; F110-A112 PolarHBondContact O-N 2.04Å; F110-A113 PolarHBondContact O-N 2.99Å; F110-E114 VanDerWaalsContact O-CB 3.26Å; F110-E114 WeakPolarHBondContact O-CB 3.29Å; F110-E114 WeakPolarHBondContact O-CG 3.02Å; F110-E114 PolarHBondContact O-N 3.06Å; F110-A134 HydrophobicContact CD1-CB 4.48Å; F110-A134 HydrophobicContact CD2-CB 4.04Å; F110-A134 HydrophobicContact CE1-CB 4.37Å; F110-A134 HydrophobicContact CE2-CB 3.91Å; F110-A134 HydrophobicContact CG-CB 4.33Å; F110-A134 HydrophobicContact CZ-CB 4.09Å; F110-Y180 HydrophobicContact CE2-CD2 4.23Å; F110-Y180 HydrophobicContact CE2-CE1 4.09Å; F110-Y180 AromaticContact CE2-CE2 3.57Å; F110-Y180 HydrophobicContact CE2-CE2 3.57Å; F110-Y180 AromaticContact CE2-CZ 3.5Å; F110-Y180 VanDerWaalsContact CE2-CZ 3.5Å; F110-Y180 AromaticContact CZ-CD1 4Å; F110-Y180 HydrophobicContact CZ-CD1 4Å; F110-Y180 AromaticContact CZ-CD2 3.96Å; F110-Y180 HydrophobicContact CZ-CD2 3.96Å; F110-Y180 AromaticContact CZ-CE1 3.71Å; F110-Y180 HydrophobicContact CZ-CE1 3.71Å; F110-Y180 AromaticContact CZ-CE2 3.7Å; F110-Y180 HydrophobicContact CZ-CE2 3.7Å; F110-Y180 HydrophobicContact CZ-CG 4.11Å; F110-Y180 AromaticContact CZ-CZ 3.58Å |
| 111 | G | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 2 Ų | 2 | 2% | 0.021 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -54.5 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C107 A115 E249 | C107-G111 PolarHBondContact O-N 2.73Å; G111-A115 VanDerWaalsContact O-CB 3.29Å; G111-A115 WeakPolarHBondContact O-CB 3.32Å; G111-A115 PolarHBondContact O-N 3.04Å; G111-A115 VanDerWaalsContact O-N 3.09Å; G111-E249 VanDerWaalsContact C-CD 3.48Å; G111-E249 WeakPolarHBondContact CA-OE1 3.37Å |
| 112 | A | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -61.1 | -58.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F110 E114 A115 I116 L137 A156 E249 | F110-A112 VanDerWaalsContact C-N 3.25Å; F110-A112 PolarHBondContact O-N 2.04Å; A112-E114 VanDerWaalsContact C-N 3.31Å; A112-E114 PolarHBondContact O-N 3.41Å; A112-A115 PolarHBondContact O-N 3.37Å; A112-I116 HydrophobicContact CB-CD1 4.42Å; A112-I116 WeakPolarHBondContact O-CB 2.96Å; A112-I116 WeakPolarHBondContact O-CD1 3.22Å; A112-I116 WeakPolarHBondContact O-CG1 3.43Å; A112-I116 PolarHBondContact O-N 2.84Å; A112-L137 HydrophobicContact CB-CD2 3.86Å; A112-A156 HydrophobicContact CB-CB 3.79Å; A112-E249 WeakPolarHBondContact CA-OE2 3.31Å; A112-E249 WeakPolarHBondContact CB-OE2 3.22Å; A112-E249 PolarHBondContact N-OE1 2.8Å; A112-E249 PolarHBondContact N-OE2 2.86Å |
| 113 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -61.1 | -39.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A109 F110 S117 I132 A134 | A109-A113 WeakPolarHBondContact O-CB 3.48Å; A109-A113 PolarHBondContact O-N 3.43Å; F110-A113 PolarHBondContact O-N 2.99Å; A113-S117 WeakPolarHBondContact O-CB 3.49Å; A113-S117 PolarHBondContact O-N 3.09Å; A113-S117 PolarHBondContact O-OG 3.15Å; A113-I132 HydrophobicContact CB-CB 4.31Å; A113-I132 HydrophobicContact CB-CG2 4.04Å; A113-A134 HydrophobicContact CB-CB 4.09Å |
| 114 | E | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 3.5 Ų | 3.5 | 2% | 0.019 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -64.5 | -51 | 176.5 | -70.8 | 173.5 | -167.9 | 0 | 0 | 111.6 | R99 F110 A112 I116 S117 D118 K280 | R99-E114 HydrophobicContact CG-CG 4.17Å; F110-E114 VanDerWaalsContact O-CB 3.26Å; F110-E114 WeakPolarHBondContact O-CB 3.29Å; F110-E114 WeakPolarHBondContact O-CG 3.02Å; F110-E114 PolarHBondContact O-N 3.06Å; A112-E114 VanDerWaalsContact C-N 3.31Å; A112-E114 PolarHBondContact O-N 3.41Å; E114-I116 VanDerWaalsContact C-N 3.34Å; E114-I116 PolarHBondContact O-N 3.03Å; E114-S117 WeakPolarHBondContact O-CB 3.31Å; E114-S117 PolarHBondContact O-N 2.89Å; E114-D118 VanDerWaalsContact O-CG 3.28Å; E114-D118 PolarHBondContact O-N 3.29Å; E114-D118 VanDerWaalsContact O-N 3.09Å; E114-K280 HydrophobicContact CB-CD 3.84Å |
| 115 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.6 | -36 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | G111 A112 D118 R119 W157 K280 | G111-A115 VanDerWaalsContact O-CB 3.29Å; G111-A115 WeakPolarHBondContact O-CB 3.32Å; G111-A115 PolarHBondContact O-N 3.04Å; G111-A115 VanDerWaalsContact O-N 3.09Å; A112-A115 PolarHBondContact O-N 3.37Å; A115-D118 PolarHBondContact O-N 3.27Å; A115-R119 WeakPolarHBondContact O-CB 3.41Å; A115-R119 WeakPolarHBondContact O-CG 3.28Å; A115-R119 PolarHBondContact O-N 3.39Å; A115-W157 HydrophobicContact CB-CH2 3.89Å; A115-W157 HydrophobicContact CB-CZ2 3.76Å; A115-K280 HydrophobicContact CB-CD 4.41Å; A115-K280 HydrophobicContact CB-CG 4.49Å |
| 116 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 174.4 | -67.5 | 164.1 | 0 | 0 | 0 | 110.5 | A112 E114 D118 R119 I120 I132 W157 W160 L165 | A112-I116 HydrophobicContact CB-CD1 4.42Å; A112-I116 WeakPolarHBondContact O-CB 2.96Å; A112-I116 WeakPolarHBondContact O-CD1 3.22Å; A112-I116 WeakPolarHBondContact O-CG1 3.43Å; A112-I116 PolarHBondContact O-N 2.84Å; E114-I116 VanDerWaalsContact C-N 3.34Å; E114-I116 PolarHBondContact O-N 3.03Å; I116-D118 VanDerWaalsContact C-N 3.3Å; I116-D118 PolarHBondContact O-N 2.89Å; I116-R119 PolarHBondContact O-N 2.66Å; I116-I120 HydrophobicContact CG2-CD1 3.83Å; I116-I120 HydrophobicContact CG2-CG1 4.32Å; I116-I120 WeakPolarHBondContact O-CG1 3.26Å; I116-I120 PolarHBondContact O-N 3.02Å; I116-I132 HydrophobicContact CB-CG1 4.4Å; I116-I132 HydrophobicContact CG2-CG1 3.8Å; I116-W157 HydrophobicContact CD1-CE3 4.42Å; I116-W157 HydrophobicContact CG1-CE3 4.04Å; I116-W157 HydrophobicContact CG1-CH2 3.86Å; I116-W157 HydrophobicContact CG1-CZ2 4.34Å; I116-W157 HydrophobicContact CG1-CZ3 3.67Å; I116-W160 HydrophobicContact CD1-CB 3.88Å; I116-W160 HydrophobicContact CD1-CD2 3.77Å; I116-W160 HydrophobicContact CD1-CE3 4.08Å; I116-W160 HydrophobicContact CD1-CG 3.69Å; I116-W160 HydrophobicContact CG1-CD2 4.01Å; I116-W160 HydrophobicContact CG1-CE3 4.07Å; I116-W160 HydrophobicContact CG1-CG 4.43Å; I116-W160 HydrophobicContact CG1-CZ3 4.34Å; I116-W160 HydrophobicContact CG2-CD2 4.03Å; I116-W160 VanDerWaalsContact CG2-CE2 3.46Å; I116-W160 HydrophobicContact CG2-CG 4.42Å; I116-W160 HydrophobicContact CG2-CH2 4.29Å; I116-W160 HydrophobicContact CG2-CZ2 3.62Å; I116-L165 HydrophobicContact CD1-CD1 4.11Å |
| 117 | S | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.007 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -55.5 | -47.3 | 177.1 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | A113 E114 R119 I120 C121 V130 I132 | A113-S117 WeakPolarHBondContact O-CB 3.49Å; A113-S117 PolarHBondContact O-N 3.09Å; A113-S117 PolarHBondContact O-OG 3.15Å; E114-S117 WeakPolarHBondContact O-CB 3.31Å; E114-S117 PolarHBondContact O-N 2.89Å; S117-R119 PolarHBondContact O-N 3.13Å; S117-I120 PolarHBondContact O-N 3.01Å; S117-C121 PolarHBondContact O-N 3.42Å; S117-V130 VanDerWaalsContact CB-O 3.29Å; S117-V130 WeakPolarHBondContact CB-O 3.48Å; S117-I132 WeakPolarHBondContact OG-CB 3.43Å; S117-I132 PolarHBondContact OG-N 3Å |
| 118 | D | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 177.4 | -67.2 | -22.1 | 0 | 0 | 0 | 111.7 | T94 L95 E114 A115 I116 I120 C121 I122 P247 K280 | T94-D118 WeakPolarHBondContact CB-OD1 3.22Å; T94-D118 PolarHBondContact OG1-OD1 3.39Å; L95-D118 WeakPolarHBondContact CA-OD1 3.3Å; L95-D118 HydrophobicContact CD2-CB 3.75Å; L95-D118 VanDerWaalsContact CD2-CG 3.46Å; L95-D118 WeakPolarHBondContact CD2-OD2 3.21Å; L95-D118 HydrophobicContact CG-CB 4.29Å; L95-D118 PolarHBondContact N-OD1 2.86Å; E114-D118 VanDerWaalsContact O-CG 3.28Å; E114-D118 PolarHBondContact O-N 3.29Å; E114-D118 VanDerWaalsContact O-N 3.09Å; A115-D118 PolarHBondContact O-N 3.27Å; I116-D118 VanDerWaalsContact C-N 3.3Å; I116-D118 PolarHBondContact O-N 2.89Å; D118-I120 PolarHBondContact O-N 2.96Å; D118-C121 PolarHBondContact O-N 3Å; D118-I122 WeakPolarHBondContact O-CB 3.29Å; D118-I122 VanDerWaalsContact O-CG1 3.25Å; D118-I122 WeakPolarHBondContact O-CG1 3.36Å; D118-I122 PolarHBondContact O-N 2.91Å; D118-P247 HydrophobicContact CB-CG 4.11Å; D118-K280 IonicContact OD1-NZ 2.83Å; D118-K280 VanDerWaalsContact OD2-CD 3.23Å; D118-K280 WeakPolarHBondContact OD2-CD 3.39Å; D118-K280 WeakPolarHBondContact OD2-CE 3.34Å; D118-K280 IonicContact OD2-NZ 2.72Å; D118-K280 PolarHBondContact OD2-NZ 2.77Å |
| 119 | R | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.4 | -35.8 | -179.1 | -73.6 | 178.4 | 173.7 | -112 | -12.1 | 112.9 | A115 I116 S117 C121 I122 H123 Y229 E241 G246 P247 G327 | A115-R119 WeakPolarHBondContact O-CB 3.41Å; A115-R119 WeakPolarHBondContact O-CG 3.28Å; A115-R119 PolarHBondContact O-N 3.39Å; I116-R119 PolarHBondContact O-N 2.66Å; S117-R119 PolarHBondContact O-N 3.13Å; R119-C121 VanDerWaalsContact C-N 3.29Å; R119-C121 PolarHBondContact O-N 3.48Å; R119-I122 PolarHBondContact O-N 3.43Å; R119-H123 WeakPolarHBondContact O-CB 3.41Å; R119-H123 PolarHBondContact O-CD2 3.18Å; R119-H123 PolarHBondContact O-N 3.27Å; R119-Y229 PolarHBondContact NH1-OH 3.44Å; R119-E241 IonicContact CZ-OE1 3.42Å; R119-E241 VanDerWaalsContact CZ-OE1 3.26Å; R119-E241 IonicContact NH1-OE1 2.65Å; R119-E241 PolarHBondContact NH1-OE1 2.93Å; R119-E241 IonicContact NH2-OE1 3.46Å; R119-E241 PolarHBondContact NH2-OE1 2.93Å; R119-G246 PolarHBondContact NH2-O 2.89Å; R119-P247 PolarHBondContact NE-O 3.16Å; R119-P247 PolarHBondContact NH2-O 3.4Å; R119-P247 VanDerWaalsContact NH2-O 3.11Å; R119-G327 WeakPolarHBondContact CD-O 3.49Å; R119-G327 PolarHBondContact NH1-O 2.88Å |
| 120 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.7 | -46.9 | 173.4 | -70 | 164.9 | 0 | 0 | 0 | 109.6 | I116 S117 D118 T124 V128 V130 I132 H223 P329 Y334 | I116-I120 HydrophobicContact CG2-CD1 3.83Å; I116-I120 HydrophobicContact CG2-CG1 4.32Å; I116-I120 WeakPolarHBondContact O-CG1 3.26Å; I116-I120 PolarHBondContact O-N 3.02Å; S117-I120 PolarHBondContact O-N 3.01Å; D118-I120 PolarHBondContact O-N 2.96Å; I120-T124 VanDerWaalsContact O-CB 3.3Å; I120-T124 WeakPolarHBondContact O-CB 3.39Å; I120-T124 WeakPolarHBondContact O-CG2 3.47Å; I120-T124 PolarHBondContact O-N 2.93Å; I120-T124 VanDerWaalsContact O-N 3.08Å; I120-T124 PolarHBondContact O-OG1 3.34Å; I120-V128 HydrophobicContact CG2-CB 4.36Å; I120-V128 HydrophobicContact CG2-CG1 4Å; I120-V130 HydrophobicContact CD1-CG2 4.03Å; I120-V130 HydrophobicContact CG2-CG2 4.08Å; I120-I132 HydrophobicContact CD1-CD1 3.68Å; I120-I132 HydrophobicContact CD1-CG1 3.84Å; I120-H223 HydrophobicContact CD1-CB 4.21Å; I120-P329 HydrophobicContact CG1-CB 4.13Å; I120-Y334 WeakPolarHBondContact CD1-OH 3.25Å; I120-Y334 WeakPolarHBondContact CG1-OH 3.33Å; I120-Y334 HydrophobicContact CG2-CE1 3.96Å; I120-Y334 HydrophobicContact CG2-CE2 4.44Å |
| 121 | C | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.2 | -47.1 | 177.9 | -177.4 | 0 | 0 | 0 | 0 | 113.1 | C92 S117 D118 R119 H123 T124 S125 G126 V128 | C92-C121 WeakPolarHBondContact CA-SG 3.33Å; C92-C121 HydrophobicContact CB-CB 3.74Å; C92-C121 WeakPolarHBondContact CB-SG 3.26Å; C92-C121 WeakPolarHBondContact SG-CB 3.01Å; C92-C121 CovalentContact SG-SG 2.04Å; C92-C121 PolarHBondContact SG-SG 2.91Å; S117-C121 PolarHBondContact O-N 3.42Å; D118-C121 PolarHBondContact O-N 3Å; R119-C121 VanDerWaalsContact C-N 3.29Å; R119-C121 PolarHBondContact O-N 3.48Å; C121-H123 PolarHBondContact O-N 2.83Å; C121-T124 PolarHBondContact O-N 3.15Å; C121-T124 PolarHBondContact O-OG1 3.48Å; C121-S125 PolarHBondContact O-N 3.36Å; C121-G126 PolarHBondContact O-N 2.93Å; C121-V128 WeakPolarHBondContact CA-O 3.36Å |
| 122 | I | 98.6 | Very high | 98.2 | Very high | 15 Ų | 15 | 21.3 Ų | 21.3 | 8% | 0.077 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.8 | -50.1 | -178.9 | -71 | 167.5 | 0 | 0 | 0 | 111.1 | W89 L95 D118 R119 T124 S125 | W89-I122 HydrophobicContact CB-CG1 4.12Å; W89-I122 HydrophobicContact CD2-CD1 3.72Å; W89-I122 HydrophobicContact CD2-CG1 3.73Å; W89-I122 HydrophobicContact CD2-CG2 4.21Å; W89-I122 HydrophobicContact CE3-CD1 3.54Å; W89-I122 HydrophobicContact CE3-CG1 4.09Å; W89-I122 HydrophobicContact CG-CD1 4.22Å; W89-I122 HydrophobicContact CG-CG1 3.74Å; W89-I122 HydrophobicContact CH2-CD1 4.42Å; W89-I122 HydrophobicContact CZ2-CG2 4.01Å; W89-I122 HydrophobicContact CZ3-CD1 3.93Å; L95-I122 HydrophobicContact CD1-CD1 4.5Å; L95-I122 HydrophobicContact CD2-CD1 4.38Å; D118-I122 WeakPolarHBondContact O-CB 3.29Å; D118-I122 VanDerWaalsContact O-CG1 3.25Å; D118-I122 WeakPolarHBondContact O-CG1 3.36Å; D118-I122 PolarHBondContact O-N 2.91Å; R119-I122 PolarHBondContact O-N 3.43Å; I122-T124 VanDerWaalsContact C-N 3.31Å; I122-T124 PolarHBondContact O-N 3.29Å; I122-S125 PolarHBondContact O-N 3.46Å |
| 123 | H | 98.2 | Very high | 98.2 | Very high | 40 Ų | 40 | 21.3 Ų | 21.3 | 19% | 0.185 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -76.2 | -18.8 | -175.1 | -72.3 | -96.5 | 0 | 0 | 0 | 113.1 | R119 C121 S125 N245 P329 L331 | R119-H123 WeakPolarHBondContact O-CB 3.41Å; R119-H123 PolarHBondContact O-CD2 3.18Å; R119-H123 PolarHBondContact O-N 3.27Å; C121-H123 PolarHBondContact O-N 2.83Å; H123-S125 VanDerWaalsContact C-N 3.28Å; H123-N245 PolarHBondContact NE2-O 2.63Å; H123-P329 HydrophobicContact CB-CG 3.58Å; H123-L331 HydrophobicContact CB-CD2 4.03Å |
| 124 | T | 97.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 6.3 | 168.4 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | I120 C121 I122 G126 K127 V128 L331 Y334 I338 | I120-T124 VanDerWaalsContact O-CB 3.3Å; I120-T124 WeakPolarHBondContact O-CB 3.39Å; I120-T124 WeakPolarHBondContact O-CG2 3.47Å; I120-T124 PolarHBondContact O-N 2.93Å; I120-T124 VanDerWaalsContact O-N 3.08Å; I120-T124 PolarHBondContact O-OG1 3.34Å; C121-T124 PolarHBondContact O-N 3.15Å; C121-T124 PolarHBondContact O-OG1 3.48Å; I122-T124 VanDerWaalsContact C-N 3.31Å; I122-T124 PolarHBondContact O-N 3.29Å; T124-G126 VanDerWaalsContact C-N 3.28Å; T124-G126 PolarHBondContact O-N 2.67Å; T124-K127 WeakPolarHBondContact O-CB 3.23Å; T124-K127 VanDerWaalsContact O-CG 3.26Å; T124-K127 WeakPolarHBondContact O-CG 3.22Å; T124-K127 PolarHBondContact O-N 3.38Å; T124-V128 HydrophobicContact CG2-CB 4.09Å; T124-V128 HydrophobicContact CG2-CG2 4.27Å; T124-V128 PolarHBondContact OG1-N 3.26Å; T124-V128 PolarHBondContact OG1-O 3.1Å; T124-L331 HydrophobicContact CG2-CD2 4.15Å; T124-Y334 HydrophobicContact CG2-CD2 4.24Å; T124-Y334 HydrophobicContact CG2-CG 4.09Å; T124-I338 HydrophobicContact CG2-CD1 4.14Å; T124-I338 HydrophobicContact CG2-CG1 4.44Å |
| 125 | S | 96.5 | Very high | 98.1 | Very high | 103 Ų | 103 | 21.4 Ų | 21.4 | 72% | 0.72 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 39.7 | -177.9 | -55 | 0 | 0 | 0 | 0 | 113.4 | C121 I122 H123 K127 | C121-S125 PolarHBondContact O-N 3.36Å; I122-S125 PolarHBondContact O-N 3.46Å; H123-S125 VanDerWaalsContact C-N 3.28Å; S125-K127 VanDerWaalsContact C-N 3.3Å; S125-K127 PolarHBondContact O-N 2.94Å |
| 126 | G | 96.1 | Very high | 98.1 | Very high | 28 Ų | 28 | 21.4 Ų | 21.4 | 29% | 0.289 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 1.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C121 T124 | C121-G126 PolarHBondContact O-N 2.93Å; T124-G126 VanDerWaalsContact C-N 3.28Å; T124-G126 PolarHBondContact O-N 2.67Å |
| 127 | K | 95.9 | Very high | 98.1 | Very high | 113 Ų | 113 | 21.4 Ų | 21.4 | 49% | 0.491 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -74.3 | -31.6 | -177.6 | -65.4 | 178 | -175.7 | 175.5 | 0 | 113.1 | T124 S125 I338 | T124-K127 WeakPolarHBondContact O-CB 3.23Å; T124-K127 VanDerWaalsContact O-CG 3.26Å; T124-K127 WeakPolarHBondContact O-CG 3.22Å; T124-K127 PolarHBondContact O-N 3.38Å; S125-K127 VanDerWaalsContact C-N 3.3Å; S125-K127 PolarHBondContact O-N 2.94Å; K127-I338 HydrophobicContact CD-CB 4.42Å; K127-I338 HydrophobicContact CD-CG1 4.49Å; K127-I338 HydrophobicContact CD-CG2 4.4Å; K127-I338 PolarHBondContact NZ-OXT 2.75Å |
| 128 | V | 97.1 | Very high | 98.1 | Very high | 17 Ų | 17 | 21.6 Ų | 21.6 | 10% | 0.103 | 13% | 0.128 | C | C | . | . | trans | -126.3 | 114.7 | 178.2 | -179 | 0 | 0 | 0 | 0 | 108.3 | I120 C121 T124 V130 Y334 F337 | I120-V128 HydrophobicContact CG2-CB 4.36Å; I120-V128 HydrophobicContact CG2-CG1 4Å; C121-V128 WeakPolarHBondContact CA-O 3.36Å; T124-V128 HydrophobicContact CG2-CB 4.09Å; T124-V128 HydrophobicContact CG2-CG2 4.27Å; T124-V128 PolarHBondContact OG1-N 3.26Å; T124-V128 PolarHBondContact OG1-O 3.1Å; V128-V130 HydrophobicContact CG1-CG1 4.01Å; V128-Y334 HydrophobicContact CB-CD1 4.32Å; V128-Y334 HydrophobicContact CG1-CD1 4.02Å; V128-Y334 HydrophobicContact CG1-CE1 3.97Å; V128-Y334 HydrophobicContact CG2-CD1 4.04Å; V128-F337 HydrophobicContact CG2-CB 3.65Å; V128-F337 HydrophobicContact CG2-CG 4.14Å | ||
| 129 | S | 97.5 | Very high | 98.1 | Very high | 53 Ų | 53 | 22.1 Ų | 22.1 | 37% | 0.371 | 13% | 0.131 | S | C | . | . | trans | -121 | 115.5 | 172.1 | -175.2 | 0 | 0 | 0 | 0 | 108 | P93 | P93-S129 WeakPolarHBondContact CD-OG 3.41Å; P93-S129 WeakPolarHBondContact CG-OG 3.48Å | ||
| 130 | V | 97.9 | Very high | 98.1 | Very high | 29 Ų | 29 | 22.9 Ų | 22.9 | 18% | 0.176 | 14% | 0.137 | C | C | . | . | trans | -135.3 | 146.7 | -178.7 | -65.3 | 0 | 0 | 0 | 0 | 109.5 | S117 I120 V128 I132 T167 | S117-V130 VanDerWaalsContact CB-O 3.29Å; S117-V130 WeakPolarHBondContact CB-O 3.48Å; I120-V130 HydrophobicContact CD1-CG2 4.03Å; I120-V130 HydrophobicContact CG2-CG2 4.08Å; V128-V130 HydrophobicContact CG1-CG1 4.01Å; V130-I132 HydrophobicContact CG2-CD1 4.21Å; V130-T167 HydrophobicContact CB-CG2 3.9Å; V130-T167 HydrophobicContact CG1-CG2 4.11Å; V130-T167 HydrophobicContact CG2-CG2 4.45Å | ||
| 131 | E | 98.8 | Very high | 98.1 | Very high | 41 Ų | 41 | 23.2 Ų | 23.2 | 19% | 0.192 | 14% | 0.139 | C | C | . | . | trans | -88.7 | 114.4 | 170.1 | -71.7 | 166.7 | -128.2 | 0 | 0 | 108 | T94 R99 T167 G168 G169 | T94-E131 HydrophobicContact CG2-CG 4.47Å; R99-E131 VanDerWaalsContact NH2-CB 3.31Å; E131-T167 CarbonylContact O-C 3.53Å; E131-T167 WeakPolarHBondContact O-CA 3.42Å; E131-T167 WeakPolarHBondContact O-CB 3.39Å; E131-G168 PolarHBondContact O-N 3.34Å; E131-G169 WeakPolarHBondContact OE2-CA 3.34Å | ||
| 132 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -74.2 | 136.7 | 174.6 | -66.1 | -59.5 | 0 | 0 | 0 | 110.1 | R99 A113 I116 S117 I120 V130 A134 L165 G168 H223 | R99-I132 PolarHBondContact NH1-O 3.24Å; A113-I132 HydrophobicContact CB-CB 4.31Å; A113-I132 HydrophobicContact CB-CG2 4.04Å; I116-I132 HydrophobicContact CB-CG1 4.4Å; I116-I132 HydrophobicContact CG2-CG1 3.8Å; S117-I132 WeakPolarHBondContact OG-CB 3.43Å; S117-I132 PolarHBondContact OG-N 3Å; I120-I132 HydrophobicContact CD1-CD1 3.68Å; I120-I132 HydrophobicContact CD1-CG1 3.84Å; V130-I132 HydrophobicContact CG2-CD1 4.21Å; I132-A134 PolarHBondContact O-N 3.23Å; I132-A134 VanDerWaalsContact O-N 3.14Å; I132-L165 HydrophobicContact CG2-CB 3.66Å; I132-L165 HydrophobicContact CG2-CD1 3.65Å; I132-L165 HydrophobicContact CG2-CG 4.28Å; I132-G168 CarbonylContact C-O 3.29Å; I132-H223 HydrophobicContact CD1-CB 3.81Å |
| 133 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -71.1 | 105.3 | -177.8 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | Q135 D136 L137 V166 R178 | S133-Q135 PolarHBondContact O-N 2.88Å; S133-Q135 WeakPolarHBondContact OG-CB 3.24Å; S133-Q135 PolarHBondContact OG-N 3.02Å; S133-D136 PolarHBondContact O-N 2.84Å; S133-D136 WeakPolarHBondContact OG-CB 3.39Å; S133-D136 PolarHBondContact OG-N 3.45Å; S133-L137 PolarHBondContact O-N 3.09Å; S133-V166 WeakPolarHBondContact CB-O 3.4Å; S133-V166 PolarHBondContact N-O 3.42Å; S133-R178 WeakPolarHBondContact CB-O 3.32Å; S133-R178 PolarHBondContact OG-O 2.76Å | ||
| 134 | A | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -27.5 | 165 | 0 | 0 | 0 | 0 | 0 | 111.2 | F110 A113 I132 L138 Y180 | F110-A134 HydrophobicContact CD1-CB 4.48Å; F110-A134 HydrophobicContact CD2-CB 4.04Å; F110-A134 HydrophobicContact CE1-CB 4.37Å; F110-A134 HydrophobicContact CE2-CB 3.91Å; F110-A134 HydrophobicContact CG-CB 4.33Å; F110-A134 HydrophobicContact CZ-CB 4.09Å; A113-A134 HydrophobicContact CB-CB 4.09Å; I132-A134 PolarHBondContact O-N 3.23Å; I132-A134 VanDerWaalsContact O-N 3.14Å; A134-L138 WeakPolarHBondContact O-CB 3.38Å; A134-L138 PolarHBondContact O-N 2.92Å; A134-Y180 HydrophobicContact CB-CD2 4.41Å |
| 135 | Q | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 176.5 | -176 | 67.3 | 47.3 | 0 | 0 | 112.2 | S133 T139 Y180 T181 | S133-Q135 PolarHBondContact O-N 2.88Å; S133-Q135 WeakPolarHBondContact OG-CB 3.24Å; S133-Q135 PolarHBondContact OG-N 3.02Å; Q135-T139 WeakPolarHBondContact O-CB 3.31Å; Q135-T139 WeakPolarHBondContact O-CG2 3.43Å; Q135-T139 PolarHBondContact O-N 3.08Å; Q135-T139 PolarHBondContact O-OG1 3.05Å; Q135-Y180 HydrophobicContact CB-CD2 4.15Å; Q135-T181 HydrophobicContact CG-CG2 4.31Å; Q135-T181 PolarHBondContact NE2-OG1 3.12Å; Q135-T181 PolarHBondContact OE1-OG1 3.27Å |
| 136 | D | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -48.6 | 179.7 | -168.5 | 39.8 | 0 | 0 | 0 | 110.7 | S133 T139 C140 L165 V166 R178 Y218 K222 | S133-D136 PolarHBondContact O-N 2.84Å; S133-D136 WeakPolarHBondContact OG-CB 3.39Å; S133-D136 PolarHBondContact OG-N 3.45Å; D136-T139 PolarHBondContact O-N 3.23Å; D136-C140 VanDerWaalsContact O-CB 3.25Å; D136-C140 WeakPolarHBondContact O-CB 3.45Å; D136-C140 PolarHBondContact O-N 3.37Å; D136-L165 HydrophobicContact CB-CD2 4.38Å; D136-V166 HydrophobicContact CB-CG2 3.81Å; D136-V166 PolarHBondContact OD2-N 2.91Å; D136-V166 VanDerWaalsContact OD2-N 3.12Å; D136-R178 IonicContact OD1-NH1 3.01Å; D136-Y218 WeakPolarHBondContact OD1-CE2 3.15Å; D136-Y218 PolarHBondContact OD1-OH 2.83Å; D136-K222 IonicContact OD1-NZ 3.7Å; D136-K222 IonicContact OD2-NZ 3.81Å; D136-K222 PolarHBondContact OD2-NZ 3.16Å |
| 137 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 176.3 | 179.5 | 55.9 | 0 | 0 | 0 | 112.4 | W108 A109 A112 S133 T139 C141 A156 F159 L165 | W108-L137 HydrophobicContact CH2-CG 4.41Å; W108-L137 HydrophobicContact CZ3-CD1 4.14Å; W108-L137 HydrophobicContact CZ3-CD2 4.45Å; W108-L137 HydrophobicContact CZ3-CG 3.95Å; A109-L137 HydrophobicContact CB-CB 4.35Å; A109-L137 HydrophobicContact CB-CD2 3.79Å; A109-L137 HydrophobicContact CB-CG 3.9Å; A112-L137 HydrophobicContact CB-CD2 3.86Å; S133-L137 PolarHBondContact O-N 3.09Å; L137-T139 VanDerWaalsContact C-N 3.28Å; L137-T139 PolarHBondContact O-N 3.4Å; L137-C141 HydrophobicContact CD1-CB 4.09Å; L137-C141 VanDerWaalsContact O-CB 3.29Å; L137-C141 WeakPolarHBondContact O-CB 3.39Å; L137-C141 PolarHBondContact O-N 3.1Å; L137-A156 HydrophobicContact CD1-CB 3.95Å; L137-A156 HydrophobicContact CD2-CB 3.8Å; L137-A156 HydrophobicContact CG-CB 4.34Å; L137-F159 HydrophobicContact CD1-CB 4.39Å; L137-F159 HydrophobicContact CD1-CD1 3.84Å; L137-F159 HydrophobicContact CD1-CG 4.39Å; L137-L165 HydrophobicContact CB-CD1 4.24Å; L137-L165 HydrophobicContact CB-CD2 3.62Å; L137-L165 HydrophobicContact CD1-CD1 4.44Å; L137-L165 HydrophobicContact CD1-CD2 4.15Å; L137-L165 HydrophobicContact CD2-CD1 4.25Å; L137-L165 HydrophobicContact CG-CD2 4.41Å |
| 138 | L | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57 | -41.6 | -179.6 | 170.9 | 61.3 | 0 | 0 | 0 | 112.3 | W108 A109 A134 G147 Y180 I182 T203 | W108-L138 HydrophobicContact CZ2-CD1 4.09Å; A109-L138 HydrophobicContact CB-CB 4.39Å; A134-L138 WeakPolarHBondContact O-CB 3.38Å; A134-L138 PolarHBondContact O-N 2.92Å; L138-G147 VanDerWaalsContact CD1-C 3.43Å; L138-Y180 HydrophobicContact CD2-CE2 3.83Å; L138-I182 HydrophobicContact CD2-CD1 4.01Å; L138-T203 HydrophobicContact CD1-CG2 4.21Å; L138-T203 HydrophobicContact CG-CG2 4.18Å |
| 139 | T | 98.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -97.7 | -26.2 | -167.6 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | Q135 D136 L137 R178 T203 P204 C206 | Q135-T139 WeakPolarHBondContact O-CB 3.31Å; Q135-T139 WeakPolarHBondContact O-CG2 3.43Å; Q135-T139 PolarHBondContact O-N 3.08Å; Q135-T139 PolarHBondContact O-OG1 3.05Å; D136-T139 PolarHBondContact O-N 3.23Å; L137-T139 VanDerWaalsContact C-N 3.28Å; L137-T139 PolarHBondContact O-N 3.4Å; T139-R178 PolarHBondContact OG1-NH1 3.49Å; T139-R178 VanDerWaalsContact OG1-NH1 3.12Å; T139-T203 HydrophobicContact CG2-CG2 4.27Å; T139-P204 WeakPolarHBondContact CB-O 3.09Å; T139-P204 HydrophobicContact CG2-CB 3.94Å; T139-P204 HydrophobicContact CG2-CG 4.38Å; T139-P204 WeakPolarHBondContact CG2-O 2.9Å; T139-C206 WeakPolarHBondContact O-CB 3.41Å |
| 140 | C | 98.6 | Very high | 97.6 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 12% | 0.115 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -109.7 | -6.3 | -172.1 | -60.3 | 0 | 0 | 0 | 0 | 114.2 | D136 D142 F159 C206 | D136-C140 VanDerWaalsContact O-CB 3.25Å; D136-C140 WeakPolarHBondContact O-CB 3.45Å; D136-C140 PolarHBondContact O-N 3.37Å; C140-D142 PolarHBondContact O-N 2.9Å; C140-F159 HydrophobicContact CB-CZ 4.27Å; C140-C206 HydrophobicContact CB-CB 4.01Å; C140-C206 WeakPolarHBondContact CB-SG 3.48Å; C140-C206 VanDerWaalsContact SG-CA 3.56Å; C140-C206 WeakPolarHBondContact SG-CB 3.44Å; C140-C206 CovalentContact SG-SG 2.04Å; C140-C206 PolarHBondContact SG-SG 3.3Å |
| 141 | C | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 26 Ų | 26 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | trans | -92.9 | 88.3 | 175.3 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | L137 S143 C144 F159 | L137-C141 HydrophobicContact CD1-CB 4.09Å; L137-C141 VanDerWaalsContact O-CB 3.29Å; L137-C141 WeakPolarHBondContact O-CB 3.39Å; L137-C141 PolarHBondContact O-N 3.1Å; C141-S143 PolarHBondContact O-N 3.44Å; C141-S143 PolarHBondContact SG-OG 3.12Å; C141-C144 HydrophobicContact CB-CB 3.65Å; C141-C144 WeakPolarHBondContact CB-SG 3.34Å; C141-C144 WeakPolarHBondContact O-CB 3.41Å; C141-C144 PolarHBondContact O-N 2.73Å; C141-C144 VanDerWaalsContact O-N 3.14Å; C141-C144 WeakPolarHBondContact SG-CB 3.48Å; C141-C144 PolarHBondContact SG-N 3.13Å; C141-C144 CovalentContact SG-SG 2.02Å; C141-C144 PolarHBondContact SG-SG 3.08Å; C141-F159 HydrophobicContact CB-CB 4.35Å; C141-F159 HydrophobicContact CB-CD1 4.13Å; C141-F159 HydrophobicContact CB-CD2 3.77Å; C141-F159 HydrophobicContact CB-CE1 4.36Å; C141-F159 HydrophobicContact CB-CE2 4.01Å; C141-F159 HydrophobicContact CB-CG 3.82Å; C141-F159 HydrophobicContact CB-CZ 4.3Å | ||
| 142 | D | 95.9 | Very high | 97.6 | Very high | 150 Ų | 150 | 27.6 Ų | 27.6 | 80% | 0.802 | 16% | 0.157 | S | C | * | . | G | 310 helix | trans | -63.3 | -30.1 | 177.9 | -65.2 | -27.2 | 0 | 0 | 0 | 113 | C140 C144 | C140-D142 PolarHBondContact O-N 2.9Å; D142-C144 VanDerWaalsContact C-N 3.3Å |
| 143 | S | 96.7 | Very high | 97.6 | Very high | 67 Ų | 67 | 27.7 Ų | 27.7 | 47% | 0.469 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -78.9 | -12.9 | 178.7 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | C141 G145 N155 | C141-S143 PolarHBondContact O-N 3.44Å; C141-S143 PolarHBondContact SG-OG 3.12Å; S143-G145 VanDerWaalsContact C-N 3.34Å; S143-G145 PolarHBondContact O-N 2.86Å; S143-N155 PolarHBondContact O-ND2 2.63Å |
| 144 | C | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -81.7 | -11.6 | -173.3 | -68.3 | 0 | 0 | 0 | 0 | 113.9 | W108 C141 D142 G151 Y152 N155 | W108-C144 HydrophobicContact CE3-CB 4.07Å; W108-C144 HydrophobicContact CH2-CB 3.35Å; W108-C144 HydrophobicContact CZ2-CB 4.26Å; W108-C144 HydrophobicContact CZ3-CB 3.25Å; C141-C144 HydrophobicContact CB-CB 3.65Å; C141-C144 WeakPolarHBondContact CB-SG 3.34Å; C141-C144 WeakPolarHBondContact O-CB 3.41Å; C141-C144 PolarHBondContact O-N 2.73Å; C141-C144 VanDerWaalsContact O-N 3.14Å; C141-C144 WeakPolarHBondContact SG-CB 3.48Å; C141-C144 PolarHBondContact SG-N 3.13Å; C141-C144 CovalentContact SG-SG 2.02Å; C141-C144 PolarHBondContact SG-SG 3.08Å; D142-C144 VanDerWaalsContact C-N 3.3Å; C144-G151 CarbonylContact O-C 3.43Å; C144-G151 WeakPolarHBondContact O-CA 3.47Å; C144-Y152 WeakPolarHBondContact O-CD2 3.18Å; C144-Y152 PolarHBondContact O-N 3.27Å; C144-N155 HydrophobicContact CB-CB 4.39Å; C144-N155 PolarHBondContact SG-O 2.85Å |
| 145 | G | 96.1 | Very high | 97.5 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 27% | 0.268 | 17% | 0.168 | S | C | . | . | B | Isolated β-bridge | trans | 133.9 | -136.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S143 | S143-G145 VanDerWaalsContact C-N 3.34Å; S143-G145 PolarHBondContact O-N 2.86Å |
| 146 | M | 96.3 | Very high | 97.6 | Very high | 106 Ų | 106 | 29.5 Ų | 29.5 | 52% | 0.522 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -116.1 | 33.9 | -170.3 | -61.3 | 168.3 | -74.7 | 0 | 0 | 111.7 | L61 C148 N149 G150 | L61-M146 HydrophobicContact CD1-CE 3.62Å; L61-M146 HydrophobicContact CD2-CE 4.5Å; M146-C148 PolarHBondContact O-N 2.75Å; M146-C148 VanDerWaalsContact O-N 3.14Å; M146-N149 HydrophobicContact CB-CB 3.91Å; M146-N149 WeakPolarHBondContact O-CB 3.46Å; M146-N149 PolarHBondContact O-N 3.2Å; M146-N149 PolarHBondContact O-ND2 3.18Å; M146-G150 PolarHBondContact N-O 3.21Å |
| 147 | G | 96 | Very high | 97.6 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 8% | 0.082 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | -114.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | W108 L138 N149 G150 T203 | W108-G147 PolarHBondContact NE1-O 3.32Å; L138-G147 VanDerWaalsContact CD1-C 3.43Å; G147-N149 PolarHBondContact O-N 2.83Å; G147-G150 PolarHBondContact O-N 2.99Å; G147-T203 WeakPolarHBondContact CA-OG1 3.31Å |
| 148 | C | 95.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.054 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -9.8 | 177.1 | -71 | 0 | 0 | 0 | 0 | 115 | C104 G105 M146 G150 T203 | C104-C148 HydrophobicContact CB-CB 3.86Å; C104-C148 WeakPolarHBondContact CB-SG 3.38Å; C104-C148 WeakPolarHBondContact SG-CA 3.39Å; C104-C148 WeakPolarHBondContact SG-CB 3.12Å; C104-C148 CovalentContact SG-SG 2.03Å; C104-C148 PolarHBondContact SG-SG 3.28Å; G105-C148 WeakPolarHBondContact CA-O 3.11Å; G105-C148 PolarHBondContact N-O 2.94Å; M146-C148 PolarHBondContact O-N 2.75Å; M146-C148 VanDerWaalsContact O-N 3.14Å; C148-G150 VanDerWaalsContact C-N 3.3Å; C148-T203 PolarHBondContact N-OG1 3.04Å |
| 149 | N | 94.7 | Very high | 97.6 | Very high | 93 Ų | 93 | 33 Ų | 33 | 50% | 0.497 | 19% | 0.186 | S | C | . | . | B | Isolated β-bridge | trans | -98.7 | 14 | 174.5 | -53.2 | -74.1 | 0 | 0 | 0 | 112.2 | M146 G147 G201 | M146-N149 HydrophobicContact CB-CB 3.91Å; M146-N149 WeakPolarHBondContact O-CB 3.46Å; M146-N149 PolarHBondContact O-N 3.2Å; M146-N149 PolarHBondContact O-ND2 3.18Å; G147-N149 PolarHBondContact O-N 2.83Å; N149-G201 PolarHBondContact ND2-O 2.78Å |
| 150 | G | 96.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | trans | 102.8 | 161.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115 | G59 G105 M146 G147 C148 | G59-G150 CarbonylContact O-C 3.55Å; G59-G150 WeakPolarHBondContact O-CA 3.13Å; G105-G150 WeakPolarHBondContact O-CA 3.22Å; M146-G150 PolarHBondContact N-O 3.21Å; G147-G150 PolarHBondContact O-N 2.99Å; C148-G150 VanDerWaalsContact C-N 3.3Å | ||
| 151 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -158.4 | -175.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G59 L61 C144 | G59-G151 PolarHBondContact O-N 2.97Å; L61-G151 PolarHBondContact N-O 3.44Å; C144-G151 CarbonylContact O-C 3.43Å; C144-G151 WeakPolarHBondContact O-CA 3.47Å |
| 152 | Y | 98.6 | Very high | 97.5 | Very high | 73 Ų | 73 | 36.8 Ų | 36.8 | 29% | 0.286 | 21% | 0.208 | S | C | . | . | trans | -113.7 | 107.6 | -171.2 | -59.1 | -71 | 0 | 0 | 0 | 109.8 | L61 P65 C144 P154 N155 A156 | L61-Y152 HydrophobicContact CB-CD1 3.75Å; L61-Y152 HydrophobicContact CB-CE1 3.33Å; L61-Y152 HydrophobicContact CD1-CE1 3.88Å; L61-Y152 HydrophobicContact CD1-CE2 3.87Å; L61-Y152 VanDerWaalsContact CD1-CZ 3.49Å; L61-Y152 WeakPolarHBondContact CD1-OH 3.42Å; L61-Y152 HydrophobicContact CG-CE1 4.26Å; L61-Y152 WeakPolarHBondContact O-CD1 3.24Å; P65-Y152 HydrophobicContact CG-CG 4.29Å; C144-Y152 WeakPolarHBondContact O-CD2 3.18Å; C144-Y152 PolarHBondContact O-N 3.27Å; Y152-P154 VanDerWaalsContact C-N 3.31Å; Y152-N155 PolarHBondContact O-N 3.28Å; Y152-A156 PolarHBondContact O-N 3.39Å | ||
| 153 | P | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -47.6 | -44.8 | 175.5 | -28 | 34.1 | 0 | 0 | 0 | 114 | T60 W108 N155 A156 W157 E249 A278 V325 | T60-P153 HydrophobicContact CG2-CG 3.82Å; W108-P153 HydrophobicContact CB-CG 4.13Å; P153-N155 VanDerWaalsContact C-N 3.25Å; P153-N155 PolarHBondContact O-N 3.45Å; P153-N155 VanDerWaalsContact O-N 3.14Å; P153-A156 WeakPolarHBondContact O-CB 3.24Å; P153-A156 PolarHBondContact O-N 3.23Å; P153-W157 VanDerWaalsContact O-CD1 3.31Å; P153-W157 PolarHBondContact O-N 3.45Å; P153-E249 HydrophobicContact CB-CG 4.32Å; P153-A278 HydrophobicContact CG-CB 4.05Å; P153-V325 HydrophobicContact CB-CG2 3.93Å |
| 154 | P | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.9 | -37.1 | 179.2 | -26.9 | 37.6 | 0 | 0 | 0 | 114.1 | P65 L67 Y152 D158 V325 | P65-P154 VanDerWaalsContact O-CG 3.24Å; P65-P154 WeakPolarHBondContact O-CG 3.35Å; L67-P154 HydrophobicContact CD1-CB 4.1Å; L67-P154 WeakPolarHBondContact CD1-O 3.31Å; L67-P154 HydrophobicContact CG-CB 3.97Å; Y152-P154 VanDerWaalsContact C-N 3.31Å; P154-D158 PolarHBondContact O-N 3.48Å; P154-V325 HydrophobicContact CB-CG1 4.29Å; P154-V325 HydrophobicContact CG-CG1 3.94Å |
| 155 | N | 98.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 30.6 Ų | 30.6 | 19% | 0.193 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -76.7 | -26.5 | -179.4 | -70.9 | 19.7 | 0 | 0 | 0 | 112 | P65 S143 C144 Y152 P153 D158 F159 | P65-N155 WeakPolarHBondContact CG-OD1 3.27Å; S143-N155 PolarHBondContact O-ND2 2.63Å; C144-N155 HydrophobicContact CB-CB 4.39Å; C144-N155 PolarHBondContact SG-O 2.85Å; Y152-N155 PolarHBondContact O-N 3.28Å; P153-N155 VanDerWaalsContact C-N 3.25Å; P153-N155 PolarHBondContact O-N 3.45Å; P153-N155 VanDerWaalsContact O-N 3.14Å; N155-D158 PolarHBondContact O-N 2.76Å; N155-F159 WeakPolarHBondContact O-CB 3.46Å; N155-F159 PolarHBondContact O-N 2.89Å |
| 156 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W108 A112 L137 Y152 P153 F159 W160 | W108-A156 HydrophobicContact CE3-CB 4.02Å; W108-A156 HydrophobicContact CZ3-CB 4.05Å; A112-A156 HydrophobicContact CB-CB 3.79Å; L137-A156 HydrophobicContact CD1-CB 3.95Å; L137-A156 HydrophobicContact CD2-CB 3.8Å; L137-A156 HydrophobicContact CG-CB 4.34Å; Y152-A156 PolarHBondContact O-N 3.39Å; P153-A156 WeakPolarHBondContact O-CB 3.24Å; P153-A156 PolarHBondContact O-N 3.23Å; A156-F159 PolarHBondContact O-N 2.84Å; A156-W160 PolarHBondContact O-N 3.18Å |
| 157 | W | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.1 | -37.1 | 175.8 | -70.1 | 81.3 | 0 | 0 | 0 | 112 | L67 A115 I116 P153 W160 T161 A228 E249 V325 A326 G327 | L67-W157 HydrophobicContact CD1-CB 4.21Å; A115-W157 HydrophobicContact CB-CH2 3.89Å; A115-W157 HydrophobicContact CB-CZ2 3.76Å; I116-W157 HydrophobicContact CD1-CE3 4.42Å; I116-W157 HydrophobicContact CG1-CE3 4.04Å; I116-W157 HydrophobicContact CG1-CH2 3.86Å; I116-W157 HydrophobicContact CG1-CZ2 4.34Å; I116-W157 HydrophobicContact CG1-CZ3 3.67Å; P153-W157 VanDerWaalsContact O-CD1 3.31Å; P153-W157 PolarHBondContact O-N 3.45Å; W157-W160 AromaticContact CE3-CE3 3.79Å; W157-W160 HydrophobicContact CE3-CE3 3.79Å; W157-W160 AromaticContact CE3-CZ3 3.78Å; W157-W160 HydrophobicContact CE3-CZ3 3.78Å; W157-W160 HydrophobicContact CZ3-CE3 4.19Å; W157-W160 AromaticContact CZ3-CZ3 3.81Å; W157-W160 HydrophobicContact CZ3-CZ3 3.81Å; W157-W160 WeakPolarHBondContact O-CB 3.42Å; W157-W160 PolarHBondContact O-N 3.09Å; W157-T161 WeakPolarHBondContact O-CG2 3.15Å; W157-T161 PolarHBondContact O-N 3.4Å; W157-A228 HydrophobicContact CB-CB 3.69Å; W157-E249 HydrophobicContact CZ2-CB 4.07Å; W157-E249 PolarHBondContact NE1-OE2 3.26Å; W157-V325 HydrophobicContact CG-CG2 4.42Å; W157-A326 VanDerWaalsContact CZ3-C 3.46Å; W157-G327 VanDerWaalsContact CE3-N 3.3Å |
| 158 | D | 98.6 | Very high | 98.2 | Very high | 66 Ų | 66 | 24.3 Ų | 24.3 | 35% | 0.353 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 173.5 | -170.1 | 63.7 | 0 | 0 | 0 | 111.4 | L67 P154 N155 W160 T161 T162 | L67-D158 HydrophobicContact CD2-CB 4.41Å; P154-D158 PolarHBondContact O-N 3.48Å; N155-D158 PolarHBondContact O-N 2.76Å; D158-W160 VanDerWaalsContact C-N 3.3Å; D158-W160 PolarHBondContact O-N 3.17Å; D158-T161 WeakPolarHBondContact O-CA 3.45Å; D158-T161 PolarHBondContact O-N 2.73Å; D158-T161 PolarHBondContact O-OG1 3.46Å; D158-T162 PolarHBondContact O-N 3.3Å; D158-T162 PolarHBondContact O-OG1 2.97Å |
| 159 | F | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 24 Ų | 24 | 6% | 0.057 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.6 | -39.9 | 176 | -174.6 | -96.8 | 0 | 0 | 0 | 112.5 | L137 C140 C141 N155 A156 T161 T162 N163 G164 L165 | L137-F159 HydrophobicContact CD1-CB 4.39Å; L137-F159 HydrophobicContact CD1-CD1 3.84Å; L137-F159 HydrophobicContact CD1-CG 4.39Å; C140-F159 HydrophobicContact CB-CZ 4.27Å; C141-F159 HydrophobicContact CB-CB 4.35Å; C141-F159 HydrophobicContact CB-CD1 4.13Å; C141-F159 HydrophobicContact CB-CD2 3.77Å; C141-F159 HydrophobicContact CB-CE1 4.36Å; C141-F159 HydrophobicContact CB-CE2 4.01Å; C141-F159 HydrophobicContact CB-CG 3.82Å; C141-F159 HydrophobicContact CB-CZ 4.3Å; N155-F159 WeakPolarHBondContact O-CB 3.46Å; N155-F159 PolarHBondContact O-N 2.89Å; A156-F159 PolarHBondContact O-N 2.84Å; F159-T161 PolarHBondContact O-N 3.41Å; F159-T162 WeakPolarHBondContact CA-OG1 3.23Å; F159-T162 PolarHBondContact O-N 2.59Å; F159-N163 HydrophobicContact CD1-CB 4.29Å; F159-N163 HydrophobicContact CD2-CB 3.84Å; F159-N163 HydrophobicContact CE1-CB 4.03Å; F159-N163 HydrophobicContact CE2-CB 3.55Å; F159-N163 VanDerWaalsContact CE2-CG 3.49Å; F159-N163 HydrophobicContact CG-CB 4.21Å; F159-N163 HydrophobicContact CZ-CB 3.66Å; F159-N163 WeakPolarHBondContact O-CA 3.26Å; F159-N163 WeakPolarHBondContact O-CB 3.49Å; F159-N163 PolarHBondContact O-N 3.01Å; F159-G164 PolarHBondContact O-N 3.4Å; F159-G164 VanDerWaalsContact O-N 3.07Å; F159-L165 HydrophobicContact CD1-CD2 3.78Å; F159-L165 HydrophobicContact CD1-CG 4.41Å; F159-L165 HydrophobicContact CE1-CD2 3.67Å |
| 160 | W | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61 | -33.1 | 173.1 | 173.1 | 55.2 | 0 | 0 | 0 | 113.1 | I116 A156 W157 D158 G164 L165 H223 G225 P329 | I116-W160 HydrophobicContact CD1-CB 3.88Å; I116-W160 HydrophobicContact CD1-CD2 3.77Å; I116-W160 HydrophobicContact CD1-CE3 4.08Å; I116-W160 HydrophobicContact CD1-CG 3.69Å; I116-W160 HydrophobicContact CG1-CD2 4.01Å; I116-W160 HydrophobicContact CG1-CE3 4.07Å; I116-W160 HydrophobicContact CG1-CG 4.43Å; I116-W160 HydrophobicContact CG1-CZ3 4.34Å; I116-W160 HydrophobicContact CG2-CD2 4.03Å; I116-W160 VanDerWaalsContact CG2-CE2 3.46Å; I116-W160 HydrophobicContact CG2-CG 4.42Å; I116-W160 HydrophobicContact CG2-CH2 4.29Å; I116-W160 HydrophobicContact CG2-CZ2 3.62Å; A156-W160 PolarHBondContact O-N 3.18Å; W157-W160 AromaticContact CE3-CE3 3.79Å; W157-W160 HydrophobicContact CE3-CE3 3.79Å; W157-W160 AromaticContact CE3-CZ3 3.78Å; W157-W160 HydrophobicContact CE3-CZ3 3.78Å; W157-W160 HydrophobicContact CZ3-CE3 4.19Å; W157-W160 AromaticContact CZ3-CZ3 3.81Å; W157-W160 HydrophobicContact CZ3-CZ3 3.81Å; W157-W160 WeakPolarHBondContact O-CB 3.42Å; W157-W160 PolarHBondContact O-N 3.09Å; D158-W160 VanDerWaalsContact C-N 3.3Å; D158-W160 PolarHBondContact O-N 3.17Å; W160-G164 WeakPolarHBondContact O-CA 3.46Å; W160-G164 PolarHBondContact O-N 3.08Å; W160-L165 HydrophobicContact CB-CD1 4.03Å; W160-L165 HydrophobicContact CB-CG 4.45Å; W160-L165 HydrophobicContact CG-CD1 4.37Å; W160-H223 VanDerWaalsContact CD1-O 3.23Å; W160-H223 PolarHBondContact NE1-O 2.86Å; W160-G225 VanDerWaalsContact CD2-CA 3.44Å; W160-G225 PolarHBondContact O-N 3.35Å; W160-P329 HydrophobicContact CH2-CB 4.06Å; W160-P329 HydrophobicContact CZ2-CB 3.9Å |
| 161 | T | 98.4 | Very high | 98.3 | Very high | 33 Ų | 33 | 27 Ų | 27 | 20% | 0.202 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -79.1 | -35.9 | 176.6 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | W157 D158 F159 A228 | W157-T161 WeakPolarHBondContact O-CG2 3.15Å; W157-T161 PolarHBondContact O-N 3.4Å; D158-T161 WeakPolarHBondContact O-CA 3.45Å; D158-T161 PolarHBondContact O-N 2.73Å; D158-T161 PolarHBondContact O-OG1 3.46Å; F159-T161 PolarHBondContact O-N 3.41Å; T161-A228 HydrophobicContact CG2-CB 3.84Å |
| 162 | T | 97.9 | Very high | 98.1 | Very high | 81 Ų | 81 | 32.2 Ų | 32.2 | 50% | 0.497 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -92.3 | -39.3 | -171.9 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | D158 F159 | D158-T162 PolarHBondContact O-N 3.3Å; D158-T162 PolarHBondContact O-OG1 2.97Å; F159-T162 WeakPolarHBondContact CA-OG1 3.23Å; F159-T162 PolarHBondContact O-N 2.59Å |
| 163 | N | 98.4 | Very high | 98 | Very high | 87 Ų | 87 | 30.6 Ų | 30.6 | 47% | 0.465 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -27.7 | -176.6 | -70 | 77.6 | 0 | 0 | 0 | 112.8 | F159 Y224 | F159-N163 HydrophobicContact CD1-CB 4.29Å; F159-N163 HydrophobicContact CD2-CB 3.84Å; F159-N163 HydrophobicContact CE1-CB 4.03Å; F159-N163 HydrophobicContact CE2-CB 3.55Å; F159-N163 VanDerWaalsContact CE2-CG 3.49Å; F159-N163 HydrophobicContact CG-CB 4.21Å; F159-N163 HydrophobicContact CZ-CB 3.66Å; F159-N163 WeakPolarHBondContact O-CA 3.26Å; F159-N163 WeakPolarHBondContact O-CB 3.49Å; F159-N163 PolarHBondContact O-N 3.01Å; N163-Y224 VanDerWaalsContact C-CE1 3.45Å; N163-Y224 VanDerWaalsContact O-CE1 3.23Å; N163-Y224 WeakPolarHBondContact O-CE1 3.46Å |
| 164 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | 73.6 | 166.5 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | F159 W160 K222 H223 | F159-G164 PolarHBondContact O-N 3.4Å; F159-G164 VanDerWaalsContact O-N 3.07Å; W160-G164 WeakPolarHBondContact O-CA 3.46Å; W160-G164 PolarHBondContact O-N 3.08Å; G164-K222 VanDerWaalsContact C-CD 3.49Å; G164-K222 WeakPolarHBondContact O-CD 3.36Å; G164-K222 PolarHBondContact O-NZ 3.31Å; G164-H223 CarbonylContact C-O 3.57Å; G164-H223 VanDerWaalsContact CA-O 3.23Å; G164-H223 WeakPolarHBondContact CA-O 3.18Å | ||
| 165 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -129.6 | 138.1 | -177.3 | -68.4 | 170.5 | 0 | 0 | 0 | 110.7 | I116 I132 D136 L137 F159 W160 H223 | I116-L165 HydrophobicContact CD1-CD1 4.11Å; I132-L165 HydrophobicContact CG2-CB 3.66Å; I132-L165 HydrophobicContact CG2-CD1 3.65Å; I132-L165 HydrophobicContact CG2-CG 4.28Å; D136-L165 HydrophobicContact CB-CD2 4.38Å; L137-L165 HydrophobicContact CB-CD1 4.24Å; L137-L165 HydrophobicContact CB-CD2 3.62Å; L137-L165 HydrophobicContact CD1-CD1 4.44Å; L137-L165 HydrophobicContact CD1-CD2 4.15Å; L137-L165 HydrophobicContact CD2-CD1 4.25Å; L137-L165 HydrophobicContact CG-CD2 4.41Å; F159-L165 HydrophobicContact CD1-CD2 3.78Å; F159-L165 HydrophobicContact CD1-CG 4.41Å; F159-L165 HydrophobicContact CE1-CD2 3.67Å; W160-L165 HydrophobicContact CB-CD1 4.03Å; W160-L165 HydrophobicContact CB-CG 4.45Å; W160-L165 HydrophobicContact CG-CD1 4.37Å; L165-H223 PolarHBondContact N-O 3.49Å; L165-H223 WeakPolarHBondContact O-CB 3.46Å; L165-H223 PolarHBondContact O-N 3.09Å |
| 166 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -79.1 | 167.4 | 173.8 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | S133 D136 C177 R178 Y218 D221 K222 | S133-V166 WeakPolarHBondContact CB-O 3.4Å; S133-V166 PolarHBondContact N-O 3.42Å; D136-V166 HydrophobicContact CB-CG2 3.81Å; D136-V166 PolarHBondContact OD2-N 2.91Å; D136-V166 VanDerWaalsContact OD2-N 3.12Å; V166-C177 HydrophobicContact CB-CB 3.87Å; V166-C177 HydrophobicContact CG2-CB 3.93Å; V166-R178 HydrophobicContact CG2-CB 4.05Å; V166-R178 HydrophobicContact CG2-CG 3.93Å; V166-Y218 HydrophobicContact CB-CD2 4.43Å; V166-Y218 HydrophobicContact CB-CE2 4.46Å; V166-Y218 HydrophobicContact CG1-CD2 3.54Å; V166-Y218 HydrophobicContact CG1-CE2 3.61Å; V166-Y218 HydrophobicContact CG1-CG 4.08Å; V166-Y218 VanDerWaalsContact CG1-O 3.25Å; V166-Y218 WeakPolarHBondContact CG1-O 3.35Å; V166-Y218 HydrophobicContact CG2-CD2 4.14Å; V166-Y218 HydrophobicContact CG2-CE2 3.96Å; V166-D221 WeakPolarHBondContact CA-O 3.47Å; V166-D221 HydrophobicContact CB-CB 4.22Å; V166-D221 WeakPolarHBondContact CB-OD2 3.37Å; V166-D221 HydrophobicContact CG1-CB 4.12Å; V166-K222 HydrophobicContact CG1-CD 3.7Å; V166-K222 HydrophobicContact CG1-CG 3.98Å | ||
| 167 | T | 98.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 153.9 | 170.9 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | V130 E131 G176 C177 R178 Y214 D221 H223 | V130-T167 HydrophobicContact CB-CG2 3.9Å; V130-T167 HydrophobicContact CG1-CG2 4.11Å; V130-T167 HydrophobicContact CG2-CG2 4.45Å; E131-T167 CarbonylContact O-C 3.53Å; E131-T167 WeakPolarHBondContact O-CA 3.42Å; E131-T167 WeakPolarHBondContact O-CB 3.39Å; T167-G176 WeakPolarHBondContact OG1-CA 3.2Å; T167-C177 WeakPolarHBondContact O-CB 3.38Å; T167-C177 PolarHBondContact O-N 3.25Å; T167-C177 PolarHBondContact OG1-N 3.06Å; T167-R178 PolarHBondContact O-N 2.83Å; T167-Y214 PolarHBondContact OG1-OH 3.46Å; T167-D221 WeakPolarHBondContact CB-OD2 3.34Å; T167-D221 WeakPolarHBondContact CG2-OD2 3.34Å; T167-D221 PolarHBondContact N-OD2 2.88Å; T167-D221 PolarHBondContact OG1-OD2 3.19Å; T167-H223 VanDerWaalsContact CG2-NE2 3.33Å; T167-H223 WeakPolarHBondContact CG2-NE2 3.26Å |
| 168 | G | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | trans | 173.9 | 119.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E131 I132 I175 R178 | E131-G168 PolarHBondContact O-N 3.34Å; I132-G168 CarbonylContact C-O 3.29Å; G168-I175 WeakPolarHBondContact CA-O 3.48Å; G168-R178 VanDerWaalsContact CA-O 3.24Å; G168-R178 WeakPolarHBondContact CA-O 3.44Å | ||
| 169 | G | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | -91.6 | -159.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | E131 I175 P179 Y180 | E131-G169 WeakPolarHBondContact OE2-CA 3.34Å; G169-I175 PolarHBondContact N-O 2.88Å; G169-P179 WeakPolarHBondContact O-CA 3.38Å; G169-Y180 PolarHBondContact O-N 2.88Å | ||
| 170 | L | 96.9 | Very high | 97.8 | Very high | 68 Ų | 68 | 36.8 Ų | 36.8 | 36% | 0.356 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -61.6 | 163.8 | 179.9 | -59.4 | 178.2 | 0 | 0 | 0 | 112.9 | R99 N172 S173 | R99-L170 HydrophobicContact CB-CD2 3.83Å; R99-L170 HydrophobicContact CG-CD2 3.8Å; L170-N172 PolarHBondContact O-N 3.14Å; L170-S173 PolarHBondContact N-OG 2.76Å; L170-S173 VanDerWaalsContact O-CB 3.25Å; L170-S173 WeakPolarHBondContact O-CB 3.33Å; L170-S173 PolarHBondContact O-N 2.96Å; L170-S173 VanDerWaalsContact O-N 3.15Å; L170-S173 PolarHBondContact O-OG 3.11Å |
| 171 | Y | 95 | Very high | 97.6 | Very high | 88 Ų | 88 | 40.5 Ų | 40.5 | 35% | 0.345 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 130.7 | 172.8 | 175.9 | -95.5 | 0 | 0 | 0 | 112.2 | S173 Y180 T181 E183 P184 | Y171-S173 PolarHBondContact O-N 3.49Å; Y171-S173 VanDerWaalsContact O-N 3.08Å; Y171-Y180 VanDerWaalsContact CA-O 3.3Å; Y171-Y180 WeakPolarHBondContact CA-O 3.3Å; Y171-T181 WeakPolarHBondContact CE2-O 3.12Å; Y171-E183 HydrophobicContact CD1-CG 4.18Å; Y171-E183 HydrophobicContact CD2-CB 4.37Å; Y171-E183 HydrophobicContact CE1-CB 4.11Å; Y171-E183 HydrophobicContact CE1-CG 3.68Å; Y171-E183 HydrophobicContact CE2-CB 3.93Å; Y171-E183 HydrophobicContact CE2-CG 4.42Å; Y171-P184 HydrophobicContact CD1-CG 4.49Å |
| 172 | N | 93.4 | Very high | 97.3 | Very high | 111 Ų | 111 | 40.5 Ų | 40.5 | 59% | 0.594 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 22.9 | 178.7 | -159.2 | 43.2 | 0 | 0 | 0 | 114.7 | L170 H174 | L170-N172 PolarHBondContact O-N 3.14Å; N172-H174 PolarHBondContact OD1-NE2 3.29Å |
| 173 | S | 96.7 | Very high | 96.9 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | trans | -79.7 | -24.3 | 176.3 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | L170 Y171 I175 | L170-S173 PolarHBondContact N-OG 2.76Å; L170-S173 VanDerWaalsContact O-CB 3.25Å; L170-S173 WeakPolarHBondContact O-CB 3.33Å; L170-S173 PolarHBondContact O-N 2.96Å; L170-S173 VanDerWaalsContact O-N 3.15Å; L170-S173 PolarHBondContact O-OG 3.11Å; Y171-S173 PolarHBondContact O-N 3.49Å; Y171-S173 VanDerWaalsContact O-N 3.08Å; S173-I175 PolarHBondContact O-N 3.07Å; S173-I175 PolarHBondContact OG-N 3.12Å | ||
| 174 | H | 96.8 | Very high | 96.2 | Very high | 118 Ų | 118 | 38.2 Ų | 38.2 | 55% | 0.546 | 20% | 0.199 | S | C | . | . | trans | 54.1 | 27 | -167.9 | -49.8 | -68.9 | 0 | 0 | 0 | 113.2 | N172 E211 | N172-H174 PolarHBondContact OD1-NE2 3.29Å; H174-E211 IonicContact CE1-OE1 3.84Å; H174-E211 PolarHBondContact CE1-OE1 3.08Å; H174-E211 IonicContact ND1-OE1 3.95Å; H174-E211 PolarHBondContact ND1-OE1 2.93Å; H174-E211 IonicContact ND1-OE2 3.16Å; H174-E211 PolarHBondContact ND1-OE2 2.87Å | ||
| 175 | I | 97.7 | Very high | 95.2 | Very high | 79 Ų | 79 | 38.4 Ų | 38.4 | 41% | 0.405 | 20% | 0.2 | S | C | . | . | trans | -97.1 | 123.8 | 177.7 | -64.4 | 174.9 | 0 | 0 | 0 | 109.6 | G168 G169 S173 P179 | G168-I175 WeakPolarHBondContact CA-O 3.48Å; G169-I175 PolarHBondContact N-O 2.88Å; S173-I175 PolarHBondContact O-N 3.07Å; S173-I175 PolarHBondContact OG-N 3.12Å; I175-P179 WeakPolarHBondContact O-CG 3.15Å | ||
| 176 | G | 98.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 82.4 | -177.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T167 Y214 | T167-G176 WeakPolarHBondContact OG1-CA 3.2Å; G176-Y214 VanDerWaalsContact C-CD2 3.46Å; G176-Y214 VanDerWaalsContact CA-CE2 3.46Å; G176-Y214 WeakPolarHBondContact O-CD2 3.28Å |
| 177 | C | 98.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -66.9 | -48 | -177.1 | 174.1 | 0 | 0 | 0 | 0 | 112.7 | V166 T167 C210 E211 Y214 D221 | V166-C177 HydrophobicContact CB-CB 3.87Å; V166-C177 HydrophobicContact CG2-CB 3.93Å; T167-C177 WeakPolarHBondContact O-CB 3.38Å; T167-C177 PolarHBondContact O-N 3.25Å; T167-C177 PolarHBondContact OG1-N 3.06Å; C177-C210 HydrophobicContact CB-CB 3.83Å; C177-C210 WeakPolarHBondContact CB-SG 3.15Å; C177-C210 CarbonylContact O-C 3.54Å; C177-C210 WeakPolarHBondContact O-CA 3.27Å; C177-C210 WeakPolarHBondContact SG-CA 3.28Å; C177-C210 WeakPolarHBondContact SG-CB 3.47Å; C177-C210 CovalentContact SG-SG 2.03Å; C177-C210 PolarHBondContact SG-SG 3.26Å; C177-E211 PolarHBondContact O-N 2.76Å; C177-Y214 HydrophobicContact CB-CD1 3.89Å; C177-Y214 HydrophobicContact CB-CE1 3.65Å; C177-D221 HydrophobicContact CB-CB 4.22Å; C177-D221 WeakPolarHBondContact CB-OD2 3.38Å |
| 178 | R | 98.5 | Very high | 90.4 | Very high | 21 Ų | 21 | 41 Ų | 41 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -132.2 | 81.7 | -178 | -64.4 | -164 | 71.5 | -154.5 | -2.7 | 111.5 | S133 D136 T139 V166 T167 G168 V207 | S133-R178 WeakPolarHBondContact CB-O 3.32Å; S133-R178 PolarHBondContact OG-O 2.76Å; D136-R178 IonicContact OD1-NH1 3.01Å; T139-R178 PolarHBondContact OG1-NH1 3.49Å; T139-R178 VanDerWaalsContact OG1-NH1 3.12Å; V166-R178 HydrophobicContact CG2-CB 4.05Å; V166-R178 HydrophobicContact CG2-CG 3.93Å; T167-R178 PolarHBondContact O-N 2.83Å; G168-R178 VanDerWaalsContact CA-O 3.24Å; G168-R178 WeakPolarHBondContact CA-O 3.44Å; R178-V207 WeakPolarHBondContact CD-O 3.25Å; R178-V207 PolarHBondContact NE-O 2.76Å; R178-V207 PolarHBondContact NH1-O 3.29Å |
| 179 | P | 98.4 | Very high | 88.5 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | trans | -55.9 | 157.4 | 169.4 | -18.3 | 28.2 | 0 | 0 | 0 | 112.1 | G169 I175 | G169-P179 WeakPolarHBondContact O-CA 3.38Å; I175-P179 WeakPolarHBondContact O-CG 3.15Å | ||
| 180 | Y | 97.9 | Very high | 86.5 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | trans | -62.3 | 139.2 | 176.6 | -157 | -120.4 | 0 | 0 | 0 | 111.5 | Q101 S106 F110 A134 Q135 L138 G169 Y171 I182 | Q101-Y180 PolarHBondContact O-OH 3.35Å; S106-Y180 PolarHBondContact OG-OH 2.82Å; F110-Y180 HydrophobicContact CE2-CD2 4.23Å; F110-Y180 HydrophobicContact CE2-CE1 4.09Å; F110-Y180 AromaticContact CE2-CE2 3.57Å; F110-Y180 HydrophobicContact CE2-CE2 3.57Å; F110-Y180 AromaticContact CE2-CZ 3.5Å; F110-Y180 VanDerWaalsContact CE2-CZ 3.5Å; F110-Y180 AromaticContact CZ-CD1 4Å; F110-Y180 HydrophobicContact CZ-CD1 4Å; F110-Y180 AromaticContact CZ-CD2 3.96Å; F110-Y180 HydrophobicContact CZ-CD2 3.96Å; F110-Y180 AromaticContact CZ-CE1 3.71Å; F110-Y180 HydrophobicContact CZ-CE1 3.71Å; F110-Y180 AromaticContact CZ-CE2 3.7Å; F110-Y180 HydrophobicContact CZ-CE2 3.7Å; F110-Y180 HydrophobicContact CZ-CG 4.11Å; F110-Y180 AromaticContact CZ-CZ 3.58Å; A134-Y180 HydrophobicContact CB-CD2 4.41Å; Q135-Y180 HydrophobicContact CB-CD2 4.15Å; L138-Y180 HydrophobicContact CD2-CE2 3.83Å; G169-Y180 PolarHBondContact O-N 2.88Å; Y171-Y180 VanDerWaalsContact CA-O 3.3Å; Y171-Y180 WeakPolarHBondContact CA-O 3.3Å; Y180-I182 HydrophobicContact CD1-CB 4.15Å; Y180-I182 VanDerWaalsContact CD1-O 3.3Å; Y180-I182 WeakPolarHBondContact CD1-O 3.4Å; Y180-I182 HydrophobicContact CE1-CB 3.54Å; Y180-I182 HydrophobicContact CE1-CD1 4.28Å; Y180-I182 HydrophobicContact CE1-CG1 4.41Å; Y180-I182 HydrophobicContact CE1-CG2 4.26Å; Y180-I182 HydrophobicContact CE2-CD1 4.37Å; Y180-I182 WeakPolarHBondContact OH-CD1 3.46Å | ||
| 181 | T | 95.2 | Very high | 84.7 | Confident | 78 Ų | 78 | 50.6 Ų | 50.6 | 48% | 0.479 | 28% | 0.278 | S | S | . | . | trans | -107 | -12.7 | -173.2 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | Q135 Y171 | Q135-T181 HydrophobicContact CG-CG2 4.31Å; Q135-T181 PolarHBondContact NE2-OG1 3.12Å; Q135-T181 PolarHBondContact OE1-OG1 3.27Å; Y171-T181 WeakPolarHBondContact CE2-O 3.12Å | ||
| 182 | I | 92.4 | Very high | 83.3 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 17% | 0.169 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -89.6 | 125.3 | 178.7 | -62.9 | 154.1 | 0 | 0 | 0 | 108 | C104 L138 Y180 P204 | C104-I182 HydrophobicContact CB-CD1 3.75Å; C104-I182 HydrophobicContact CB-CG2 4.4Å; L138-I182 HydrophobicContact CD2-CD1 4.01Å; Y180-I182 HydrophobicContact CD1-CB 4.15Å; Y180-I182 VanDerWaalsContact CD1-O 3.3Å; Y180-I182 WeakPolarHBondContact CD1-O 3.4Å; Y180-I182 HydrophobicContact CE1-CB 3.54Å; Y180-I182 HydrophobicContact CE1-CD1 4.28Å; Y180-I182 HydrophobicContact CE1-CG1 4.41Å; Y180-I182 HydrophobicContact CE1-CG2 4.26Å; Y180-I182 HydrophobicContact CE2-CD1 4.37Å; Y180-I182 WeakPolarHBondContact OH-CD1 3.46Å; I182-P204 HydrophobicContact CD1-CG 3.92Å; I182-P204 HydrophobicContact CG1-CG 4.07Å |
| 183 | E | 89.2 | Confident | 82.2 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 45% | 0.453 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 134.4 | -174.7 | -169.8 | 174.8 | -172.3 | 0 | 0 | 111.4 | Y171 P194 | Y171-E183 HydrophobicContact CD1-CG 4.18Å; Y171-E183 HydrophobicContact CD2-CB 4.37Å; Y171-E183 HydrophobicContact CE1-CB 4.11Å; Y171-E183 HydrophobicContact CE1-CG 3.68Å; Y171-E183 HydrophobicContact CE2-CB 3.93Å; Y171-E183 HydrophobicContact CE2-CG 4.42Å; E183-P194 VanDerWaalsContact CD-CG 3.5Å; E183-P194 HydrophobicContact CG-CG 4.05Å; E183-P194 WeakPolarHBondContact OE1-CD 3.38Å; E183-P194 WeakPolarHBondContact OE1-CG 3.41Å |
| 184 | P | 84.7 | Confident | 80.7 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 16% | 0.156 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 140.4 | 166.6 | -26.8 | 36.9 | 0 | 0 | 0 | 110.5 | D100 Y171 R193 P194 | D100-P184 HydrophobicContact CB-CB 4.15Å; D100-P184 HydrophobicContact CB-CG 4.27Å; D100-P184 WeakPolarHBondContact OD2-CB 3.4Å; Y171-P184 HydrophobicContact CD1-CG 4.49Å; P184-R193 HydrophobicContact CB-CG 4.49Å; P184-P194 WeakPolarHBondContact O-CD 3.46Å |
| 185 | C | 76.6 | Confident | 79.4 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | trans | -122.8 | 150 | 179.6 | 69.6 | 0 | 0 | 0 | 0 | 111.4 | Y53 H187 P194 C196 | Y53-C185 PolarHBondContact OH-SG 2.78Å; C185-H187 PolarHBondContact O-CE1 2.81Å; C185-H187 PolarHBondContact O-N 2.84Å; C185-H187 PolarHBondContact O-ND1 2.68Å; C185-P194 CarbonylContact C-O 3.45Å; C185-P194 WeakPolarHBondContact CA-O 3.3Å; C185-C196 HydrophobicContact CB-CB 3.85Å; C185-C196 WeakPolarHBondContact CB-SG 3.45Å; C185-C196 VanDerWaalsContact SG-CA 3.5Å; C185-C196 WeakPolarHBondContact SG-CB 3.18Å; C185-C196 CovalentContact SG-SG 2.04Å; C185-C196 PolarHBondContact SG-SG 3.41Å | ||
| 186 | E | 70.6 | Confident | 78.1 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -71.9 | 123.5 | 178 | -85 | -40.9 | 158.4 | 0 | 0 | 111 | H188 G191 S192 R193 P194 C196 | E186-H188 WeakPolarHBondContact CB-O 3.41Å; E186-G191 VanDerWaalsContact OE1-C 3.27Å; E186-G191 WeakPolarHBondContact OE1-CA 3.39Å; E186-S192 PolarHBondContact OE1-N 3.15Å; E186-R193 HydrophobicContact CB-CB 4.24Å; E186-R193 HydrophobicContact CG-CB 3.61Å; E186-R193 HydrophobicContact CG-CG 4.48Å; E186-R193 VanDerWaalsContact CG-O 3.31Å; E186-R193 WeakPolarHBondContact CG-O 3.05Å; E186-R193 WeakPolarHBondContact OE1-CB 3Å; E186-R193 WeakPolarHBondContact OE1-CG 3.25Å; E186-R193 PolarHBondContact OE1-N 3.08Å; E186-P194 PolarHBondContact N-O 3.06Å; E186-C196 VanDerWaalsContact C-SG 3.59Å; E186-C196 PolarHBondContact O-SG 2.79Å |
| 187 | H | 65.4 | Low | 76.4 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -86.1 | -18.5 | 169.6 | -52.7 | -16.9 | 0 | 0 | 0 | 110.7 | N45 F46 R47 Y53 C185 C196 N300 | N45-H187 CarbonylContact O-C 3.55Å; N45-H187 VanDerWaalsContact O-C 3.26Å; N45-H187 WeakPolarHBondContact O-CB 3.37Å; F46-H187 CarbonylContact C-O 3.46Å; F46-H187 WeakPolarHBondContact CA-O 3.41Å; F46-H187 HydrophobicContact CD1-CB 3.56Å; F46-H187 AromaticContact CD1-CG 3.8Å; F46-H187 HydrophobicContact CE1-CB 3.64Å; F46-H187 AromaticContact CE1-CD2 3.65Å; F46-H187 AromaticContact CE1-CG 3.37Å; F46-H187 AromaticContact CE1-ND1 3.89Å; F46-H187 HydrophobicContact CG-CB 4.36Å; F46-H187 HydrophobicContact CZ-CB 4.49Å; R47-H187 PolarHBondContact N-O 3.48Å; Y53-H187 AromaticContact CE1-ND1 3.9Å; Y53-H187 AromaticContact CZ-CE1 3.84Å; Y53-H187 AromaticContact CZ-ND1 3.85Å; Y53-H187 PolarHBondContact OH-CE1 3.42Å; Y53-H187 PolarHBondContact OH-ND1 2.77Å; Y53-H187 VanDerWaalsContact OH-ND1 3.13Å; C185-H187 PolarHBondContact O-CE1 2.81Å; C185-H187 PolarHBondContact O-N 2.84Å; C185-H187 PolarHBondContact O-ND1 2.68Å; H187-C196 PolarHBondContact ND1-SG 3.35Å; H187-N300 PolarHBondContact CD2-ND2 2.91Å; H187-N300 PolarHBondContact NE2-ND2 2.95Å; H187-N300 VanDerWaalsContact NE2-ND2 3.12Å |
| 188 | H | 59.4 | Low | 74.4 | Confident | 37 Ų | 37 | 52 Ų | 52 | 17% | 0.171 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -111.5 | 137.9 | -179.3 | -72.8 | -86.5 | 0 | 0 | 0 | 111.4 | H44 N45 E186 N190 | H44-H188 PolarHBondContact O-CE1 3.23Å; H44-H188 PolarHBondContact O-ND1 2.04Å; N45-H188 WeakPolarHBondContact CA-CE1 3.39Å; N45-H188 WeakPolarHBondContact CA-NE2 3.48Å; N45-H188 PolarHBondContact O-CD2 3.14Å; N45-H188 PolarHBondContact O-CE1 3.24Å; N45-H188 PolarHBondContact O-ND1 2.91Å; N45-H188 PolarHBondContact O-NE2 2.67Å; E186-H188 WeakPolarHBondContact CB-O 3.41Å; H188-N190 PolarHBondContact O-N 3.39Å |
| 189 | V | 58 | Low | 72.2 | Confident | 70 Ų | 70 | 58.4 Ų | 58.4 | 42% | 0.424 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -60.7 | -13.4 | -177.3 | -68.3 | 0 | 0 | 0 | 0 | 116 | R47 D48 | R47-V189 HydrophobicContact CB-CB 4.5Å; R47-V189 HydrophobicContact CB-CG1 3.6Å; R47-V189 HydrophobicContact CB-CG2 4.4Å; D48-V189 HydrophobicContact CB-CG1 4.03Å; D48-V189 WeakPolarHBondContact OD2-CG1 3.48Å |
| 190 | N | 55.8 | Low | 70 | Confident | 152 Ų | 152 | 60.5 Ų | 60.5 | 81% | 0.813 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -127.2 | 97.5 | 178.3 | -77.9 | -15.9 | 0 | 0 | 0 | 109.5 | H188 | H188-N190 PolarHBondContact O-N 3.39Š|
| 191 | G | 60.5 | Low | 68.4 | Low | 52 Ų | 52 | 60.3 Ų | 60.3 | 54% | 0.536 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -163.2 | -172.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E186 | E186-G191 VanDerWaalsContact OE1-C 3.27Å; E186-G191 WeakPolarHBondContact OE1-CA 3.39Å |
| 192 | S | 65.1 | Low | 67.9 | Low | 123 Ų | 123 | 63.7 Ų | 63.7 | 86% | 0.86 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -100 | -8.7 | -176 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | E186 | E186-S192 PolarHBondContact OE1-N 3.15Š|
| 193 | R | 70.4 | Confident | 68 | Low | 72 Ų | 72 | 64 Ų | 64 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -86.1 | 161.1 | -179.4 | -57 | 173.2 | -176.7 | 129.3 | 12.6 | 111.9 | P184 E186 N300 D302 | P184-R193 HydrophobicContact CB-CG 4.49Å; E186-R193 HydrophobicContact CB-CB 4.24Å; E186-R193 HydrophobicContact CG-CB 3.61Å; E186-R193 HydrophobicContact CG-CG 4.48Å; E186-R193 VanDerWaalsContact CG-O 3.31Å; E186-R193 WeakPolarHBondContact CG-O 3.05Å; E186-R193 WeakPolarHBondContact OE1-CB 3Å; E186-R193 WeakPolarHBondContact OE1-CG 3.25Å; E186-R193 PolarHBondContact OE1-N 3.08Å; R193-N300 PolarHBondContact NH1-ND2 3.34Å; R193-N300 PolarHBondContact NH1-OD1 3.28Å; R193-D302 IonicContact CZ-OD2 3.37Å; R193-D302 IonicContact NH1-OD2 2.85Å; R193-D302 PolarHBondContact NH1-OD2 3.33Å; R193-D302 IonicContact NH2-OD2 3.41Å; R193-D302 PolarHBondContact NH2-OD2 3.34Å |
| 194 | P | 66.2 | Low | 68.3 | Low | 43 Ų | 43 | 61.2 Ų | 61.2 | 28% | 0.279 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 158 | 173.8 | 28.9 | -38.5 | 0 | 0 | 0 | 112.3 | E183 P184 C185 E186 | E183-P194 VanDerWaalsContact CD-CG 3.5Å; E183-P194 HydrophobicContact CG-CG 4.05Å; E183-P194 WeakPolarHBondContact OE1-CD 3.38Å; E183-P194 WeakPolarHBondContact OE1-CG 3.41Å; P184-P194 WeakPolarHBondContact O-CD 3.46Å; C185-P194 CarbonylContact C-O 3.45Å; C185-P194 WeakPolarHBondContact CA-O 3.3Å; E186-P194 PolarHBondContact N-O 3.06Å |
| 195 | P | 69.1 | Low | 68.8 | Low | 103 Ų | 103 | 67.4 Ų | 67.4 | 67% | 0.669 | 41% | 0.408 | S | S | * | . | B | Isolated β-bridge | trans | -58.1 | 141 | 171.8 | -20.5 | 31.7 | 0 | 0 | 0 | 111.6 | T197 | P195-T197 PolarHBondContact O-N 2.8Å |
| 196 | C | 68.8 | Low | 69.9 | Low | 11 Ų | 11 | 70 Ų | 70 | 7% | 0.074 | 43% | 0.426 | C | S | . | . | trans | -69.4 | 92.4 | 171.5 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | V49 Y53 C185 E186 H187 | V49-C196 HydrophobicContact CG1-CB 4.27Å; Y53-C196 HydrophobicContact CD1-CB 3.98Å; Y53-C196 HydrophobicContact CD2-CB 3.91Å; Y53-C196 HydrophobicContact CE1-CB 3.8Å; Y53-C196 HydrophobicContact CE2-CB 3.72Å; Y53-C196 HydrophobicContact CG-CB 4.05Å; Y53-C196 PolarHBondContact OH-SG 3.46Å; C185-C196 HydrophobicContact CB-CB 3.85Å; C185-C196 WeakPolarHBondContact CB-SG 3.45Å; C185-C196 VanDerWaalsContact SG-CA 3.5Å; C185-C196 WeakPolarHBondContact SG-CB 3.18Å; C185-C196 CovalentContact SG-SG 2.04Å; C185-C196 PolarHBondContact SG-SG 3.41Å; E186-C196 VanDerWaalsContact C-SG 3.59Å; E186-C196 PolarHBondContact O-SG 2.79Å; H187-C196 PolarHBondContact ND1-SG 3.35Å | ||
| 197 | T | 63 | Low | 71.2 | Confident | 84 Ų | 84 | 72.3 Ų | 72.3 | 52% | 0.515 | 44% | 0.441 | S | S | . | . | trans | -81.2 | 124.1 | 165.6 | 49 | 0 | 0 | 0 | 0 | 108.1 | S103 P195 E199 | S103-T197 PolarHBondContact OG-O 3.12Å; P195-T197 PolarHBondContact O-N 2.8Å; T197-E199 PolarHBondContact O-N 3.39Å | ||
| 198 | G | 57.6 | Low | 72.7 | Confident | 38 Ų | 38 | 76.3 Ų | 76.3 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | trans | -69.5 | 50.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G200 | G198-G200 PolarHBondContact O-N 2.9Š| ||
| 199 | E | 51.8 | Low | 74.6 | Confident | 156 Ų | 156 | 81.3 Ų | 81.3 | 73% | 0.729 | 49% | 0.489 | S | S | * | . | trans | -69 | 83.3 | 176.9 | -63.7 | -158.8 | 168.6 | 0 | 0 | 109.5 | T197 G201 | T197-E199 PolarHBondContact O-N 3.39Å; E199-G201 VanDerWaalsContact C-N 3.29Å; E199-G201 PolarHBondContact O-N 3.27Å | ||
| 200 | G | 53.4 | Low | 76.5 | Confident | 58 Ų | 58 | 78.8 Ų | 78.8 | 60% | 0.598 | 47% | 0.474 | S | S | * | . | 66 | 19.4 | 116.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | G198 D202 | G198-G200 PolarHBondContact O-N 2.9Å; G200-D202 PolarHBondContact O-N 3Å | |||
| 201 | G | 63.7 | Low | 78.5 | Confident | 9 Ų | 9 | 75.3 Ų | 75.3 | 9% | 0.093 | 45% | 0.453 | C | S | . | . | trans | 61.2 | 22.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | N149 E199 T203 | N149-G201 PolarHBondContact ND2-O 2.78Å; E199-G201 VanDerWaalsContact C-N 3.29Å; E199-G201 PolarHBondContact O-N 3.27Å; G201-T203 PolarHBondContact O-N 3.09Å | ||
| 202 | D | 84.3 | Confident | 80.2 | Confident | 149 Ų | 149 | 77.7 Ų | 77.7 | 80% | 0.797 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -83 | 122.1 | 173.4 | -78 | -25.2 | 0 | 0 | 0 | 109.6 | G200 | G200-D202 PolarHBondContact O-N 3Š|
| 203 | T | 94.2 | Very high | 81.7 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 25% | 0.245 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 127 | 175.1 | -54.7 | 0 | 0 | 0 | 0 | 107.7 | L138 T139 G147 C148 G201 | L138-T203 HydrophobicContact CD1-CG2 4.21Å; L138-T203 HydrophobicContact CG-CG2 4.18Å; T139-T203 HydrophobicContact CG2-CG2 4.27Å; G147-T203 WeakPolarHBondContact CA-OG1 3.31Å; C148-T203 PolarHBondContact N-OG1 3.04Å; G201-T203 PolarHBondContact O-N 3.09Å |
| 204 | P | 95 | Very high | 83 | Confident | 37 Ų | 37 | 75.7 Ų | 75.7 | 24% | 0.24 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 153.3 | 175.4 | -20.6 | 30.6 | 0 | 0 | 0 | 110.6 | T139 I182 | T139-P204 WeakPolarHBondContact CB-O 3.09Å; T139-P204 HydrophobicContact CG2-CB 3.94Å; T139-P204 HydrophobicContact CG2-CG 4.38Å; T139-P204 WeakPolarHBondContact CG2-O 2.9Å; I182-P204 HydrophobicContact CD1-CG 3.92Å; I182-P204 HydrophobicContact CG1-CG 4.07Å |
| 205 | Q | 96.8 | Very high | 84.4 | Confident | 155 Ų | 155 | 79.6 Ų | 79.6 | 72% | 0.724 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 146.4 | -178.7 | -62.1 | -61.5 | -67.2 | 0 | 0 | 111.3 | V207 | Q205-V207 PolarHBondContact O-N 3.14Š|
| 206 | C | 98.1 | Very high | 85.7 | Confident | 59 Ų | 59 | 76.9 Ų | 76.9 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 124.5 | 167.7 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | T139 C140 | T139-C206 WeakPolarHBondContact O-CB 3.41Å; C140-C206 HydrophobicContact CB-CB 4.01Å; C140-C206 WeakPolarHBondContact CB-SG 3.48Å; C140-C206 VanDerWaalsContact SG-CA 3.56Å; C140-C206 WeakPolarHBondContact SG-CB 3.44Å; C140-C206 CovalentContact SG-SG 2.04Å; C140-C206 PolarHBondContact SG-SG 3.3Å |
| 207 | V | 98.2 | Very high | 87.1 | Confident | 68 Ų | 68 | 79.4 Ų | 79.4 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | trans | -124.1 | 112.8 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | R178 Q205 Q209 | R178-V207 WeakPolarHBondContact CD-O 3.25Å; R178-V207 PolarHBondContact NE-O 2.76Å; R178-V207 PolarHBondContact NH1-O 3.29Å; Q205-V207 PolarHBondContact O-N 3.14Å; V207-Q209 HydrophobicContact CG1-CB 3.99Å; V207-Q209 PolarHBondContact O-N 2.57Å; V207-Q209 VanDerWaalsContact O-N 3.09Å | ||
| 208 | T | 98.1 | Very high | 88.8 | Confident | 87 Ų | 87 | 76.2 Ų | 76.2 | 53% | 0.534 | 47% | 0.47 | S | S | . | . | trans | -88 | 44 | -179.6 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | Y218 | T208-Y218 VanDerWaalsContact C-CG 3.45Å; T208-Y218 HydrophobicContact CG2-CE1 3.79Å; T208-Y218 WeakPolarHBondContact O-CB 3.48Å | ||
| 209 | Q | 98.3 | Very high | 90.7 | Very high | 142 Ų | 142 | 80 Ų | 80 | 66% | 0.664 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -142.1 | 139.7 | -179.6 | -171.6 | 179.6 | -3.4 | 0 | 0 | 109.6 | V207 | V207-Q209 HydrophobicContact CG1-CB 3.99Å; V207-Q209 PolarHBondContact O-N 2.57Å; V207-Q209 VanDerWaalsContact O-N 3.09Å |
| 210 | C | 98.6 | Very high | 92.8 | Very high | 17 Ų | 17 | 78.2 Ų | 78.2 | 12% | 0.115 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 160.2 | 174.1 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | C177 Y214 Y218 | C177-C210 HydrophobicContact CB-CB 3.83Å; C177-C210 WeakPolarHBondContact CB-SG 3.15Å; C177-C210 CarbonylContact O-C 3.54Å; C177-C210 WeakPolarHBondContact O-CA 3.27Å; C177-C210 WeakPolarHBondContact SG-CA 3.28Å; C177-C210 WeakPolarHBondContact SG-CB 3.47Å; C177-C210 CovalentContact SG-SG 2.03Å; C177-C210 PolarHBondContact SG-SG 3.26Å; C210-Y214 HydrophobicContact CB-CD1 3.75Å; C210-Y214 HydrophobicContact CB-CG 4.29Å; C210-Y218 WeakPolarHBondContact SG-CA 3.29Å; C210-Y218 PolarHBondContact SG-N 2.85Å |
| 211 | E | 96.9 | Very high | 95 | Very high | 78 Ų | 78 | 75.9 Ų | 75.9 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 145 | 171.2 | -168.1 | 173.6 | -166.2 | 0 | 0 | 111.4 | H174 C177 G213 Y214 | H174-E211 IonicContact CE1-OE1 3.84Å; H174-E211 PolarHBondContact CE1-OE1 3.08Å; H174-E211 IonicContact ND1-OE1 3.95Å; H174-E211 PolarHBondContact ND1-OE1 2.93Å; H174-E211 IonicContact ND1-OE2 3.16Å; H174-E211 PolarHBondContact ND1-OE2 2.87Å; C177-E211 PolarHBondContact O-N 2.76Å; E211-G213 PolarHBondContact O-N 2.87Å; E211-Y214 WeakPolarHBondContact O-CB 3.18Å; E211-Y214 PolarHBondContact O-N 2.67Å; E211-Y214 VanDerWaalsContact O-N 3.1Å |
| 212 | A | 96.8 | Very high | 96.6 | Very high | 102 Ų | 102 | 75.8 Ų | 75.8 | 84% | 0.843 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 131.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 213 | G | 95.8 | Very high | 97.3 | Very high | 85 Ų | 85 | 69.4 Ų | 69.4 | 88% | 0.876 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -10.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E211 | E211-G213 PolarHBondContact O-N 2.87Š|
| 214 | Y | 97.9 | Very high | 97.5 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 27% | 0.271 | 41% | 0.41 | S | S | . | . | trans | -77 | 146.7 | 170.2 | -171.7 | -96.6 | 0 | 0 | 0 | 111.6 | T167 G176 C177 C210 E211 P216 D221 | T167-Y214 PolarHBondContact OG1-OH 3.46Å; G176-Y214 VanDerWaalsContact C-CD2 3.46Å; G176-Y214 VanDerWaalsContact CA-CE2 3.46Å; G176-Y214 WeakPolarHBondContact O-CD2 3.28Å; C177-Y214 HydrophobicContact CB-CD1 3.89Å; C177-Y214 HydrophobicContact CB-CE1 3.65Å; C210-Y214 HydrophobicContact CB-CD1 3.75Å; C210-Y214 HydrophobicContact CB-CG 4.29Å; E211-Y214 WeakPolarHBondContact O-CB 3.18Å; E211-Y214 PolarHBondContact O-N 2.67Å; E211-Y214 VanDerWaalsContact O-N 3.1Å; Y214-P216 VanDerWaalsContact CD1-O 3.28Å; Y214-P216 WeakPolarHBondContact CD1-O 3.31Å; Y214-P216 WeakPolarHBondContact CE1-O 3.26Å; Y214-D221 HydrophobicContact CE1-CB 4.35Å; Y214-D221 WeakPolarHBondContact CE1-OD1 3.46Å; Y214-D221 PolarHBondContact OH-OD1 2.97Å | ||
| 215 | T | 95.6 | Very high | 97.6 | Very high | 124 Ų | 124 | 69.2 Ų | 69.2 | 76% | 0.761 | 40% | 0.401 | S | S | * | . | trans | -145.7 | 134.7 | 170.5 | -58.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 216 | P | 96.6 | Very high | 97.7 | Very high | 46 Ų | 46 | 68.9 Ų | 68.9 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | S | Bend | cis | -80 | -177.8 | 15.6 | 34.6 | -38 | 0 | 0 | 0 | 115.6 | Y214 N220 D221 | Y214-P216 VanDerWaalsContact CD1-O 3.28Å; Y214-P216 WeakPolarHBondContact CD1-O 3.31Å; Y214-P216 WeakPolarHBondContact CE1-O 3.26Å; P216-N220 HydrophobicContact CB-CB 3.84Å; P216-N220 HydrophobicContact CG-CB 4.42Å; P216-D221 HydrophobicContact CG-CB 4.02Å |
| 217 | S | 98.1 | Very high | 97.7 | Very high | 64 Ų | 64 | 68.7 Ų | 68.7 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | trans | -68.7 | 158.9 | 172.7 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | E219 N220 D221 | S217-E219 PolarHBondContact O-N 3.17Å; S217-N220 CarbonylContact O-C 3.44Å; S217-N220 WeakPolarHBondContact O-CA 3.4Å; S217-N220 PolarHBondContact O-N 3.27Å; S217-N220 PolarHBondContact OG-ND2 3.08Å; S217-D221 PolarHBondContact O-N 2.79Å | ||
| 218 | Y | 98.6 | Very high | 97.7 | Very high | 17 Ų | 17 | 66.3 Ų | 66.3 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -46.4 | -52.7 | -178.2 | 175.6 | -91.9 | 0 | 0 | 0 | 113.9 | D136 V166 T208 C210 N220 D221 K222 | D136-Y218 WeakPolarHBondContact OD1-CE2 3.15Å; D136-Y218 PolarHBondContact OD1-OH 2.83Å; V166-Y218 HydrophobicContact CB-CD2 4.43Å; V166-Y218 HydrophobicContact CB-CE2 4.46Å; V166-Y218 HydrophobicContact CG1-CD2 3.54Å; V166-Y218 HydrophobicContact CG1-CE2 3.61Å; V166-Y218 HydrophobicContact CG1-CG 4.08Å; V166-Y218 VanDerWaalsContact CG1-O 3.25Å; V166-Y218 WeakPolarHBondContact CG1-O 3.35Å; V166-Y218 HydrophobicContact CG2-CD2 4.14Å; V166-Y218 HydrophobicContact CG2-CE2 3.96Å; T208-Y218 VanDerWaalsContact C-CG 3.45Å; T208-Y218 HydrophobicContact CG2-CE1 3.79Å; T208-Y218 WeakPolarHBondContact O-CB 3.48Å; C210-Y218 WeakPolarHBondContact SG-CA 3.29Å; C210-Y218 PolarHBondContact SG-N 2.85Å; Y218-N220 VanDerWaalsContact C-N 3.26Å; Y218-N220 PolarHBondContact O-N 3.42Å; Y218-D221 PolarHBondContact O-N 2.65Å; Y218-D221 VanDerWaalsContact O-N 3.15Å; Y218-K222 VanDerWaalsContact OH-CE 3.3Å; Y218-K222 WeakPolarHBondContact OH-CE 3.47Å; Y218-K222 PolarHBondContact OH-NZ 3.2Å |
| 219 | E | 97.8 | Very high | 97.7 | Very high | 118 Ų | 118 | 62.3 Ų | 62.3 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -63.6 | -30.4 | 179.2 | -63.3 | -57.6 | 143.8 | 0 | 0 | 113.7 | S217 | S217-E219 PolarHBondContact O-N 3.17Š|
| 220 | N | 97.1 | Very high | 97.7 | Very high | 118 Ų | 118 | 56 Ų | 56 | 63% | 0.631 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -85.9 | -13 | -179.6 | -73 | -32.9 | 0 | 0 | 0 | 112.5 | P216 S217 Y218 | P216-N220 HydrophobicContact CB-CB 3.84Å; P216-N220 HydrophobicContact CG-CB 4.42Å; S217-N220 CarbonylContact O-C 3.44Å; S217-N220 WeakPolarHBondContact O-CA 3.4Å; S217-N220 PolarHBondContact O-N 3.27Å; S217-N220 PolarHBondContact OG-ND2 3.08Å; Y218-N220 VanDerWaalsContact C-N 3.26Å; Y218-N220 PolarHBondContact O-N 3.42Å |
| 221 | D | 98.2 | Very high | 97.7 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -92 | -0.7 | 176 | -159.1 | 68.5 | 0 | 0 | 0 | 112.4 | V166 T167 C177 Y214 P216 S217 Y218 H223 | V166-D221 WeakPolarHBondContact CA-O 3.47Å; V166-D221 HydrophobicContact CB-CB 4.22Å; V166-D221 WeakPolarHBondContact CB-OD2 3.37Å; V166-D221 HydrophobicContact CG1-CB 4.12Å; T167-D221 WeakPolarHBondContact CB-OD2 3.34Å; T167-D221 WeakPolarHBondContact CG2-OD2 3.34Å; T167-D221 PolarHBondContact N-OD2 2.88Å; T167-D221 PolarHBondContact OG1-OD2 3.19Å; C177-D221 HydrophobicContact CB-CB 4.22Å; C177-D221 WeakPolarHBondContact CB-OD2 3.38Å; Y214-D221 HydrophobicContact CE1-CB 4.35Å; Y214-D221 WeakPolarHBondContact CE1-OD1 3.46Å; Y214-D221 PolarHBondContact OH-OD1 2.97Å; P216-D221 HydrophobicContact CG-CB 4.02Å; S217-D221 PolarHBondContact O-N 2.79Å; Y218-D221 PolarHBondContact O-N 2.65Å; Y218-D221 VanDerWaalsContact O-N 3.15Å; D221-H223 PolarHBondContact O-CD2 2.91Å; D221-H223 PolarHBondContact O-N 3.33Å; D221-H223 PolarHBondContact O-NE2 2.97Å |
| 222 | K | 98.2 | Very high | 97.7 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | trans | -70.2 | 121.9 | -177.6 | -76.3 | -73.4 | -175.1 | -179.1 | 0 | 111.9 | D136 G164 V166 Y218 Y224 H333 | D136-K222 IonicContact OD1-NZ 3.7Å; D136-K222 IonicContact OD2-NZ 3.81Å; D136-K222 PolarHBondContact OD2-NZ 3.16Å; G164-K222 VanDerWaalsContact C-CD 3.49Å; G164-K222 WeakPolarHBondContact O-CD 3.36Å; G164-K222 PolarHBondContact O-NZ 3.31Å; V166-K222 HydrophobicContact CG1-CD 3.7Å; V166-K222 HydrophobicContact CG1-CG 3.98Å; Y218-K222 VanDerWaalsContact OH-CE 3.3Å; Y218-K222 WeakPolarHBondContact OH-CE 3.47Å; Y218-K222 PolarHBondContact OH-NZ 3.2Å; K222-Y224 HydrophobicContact CB-CD2 4.45Å; K222-Y224 HydrophobicContact CB-CE2 3.56Å; K222-Y224 WeakPolarHBondContact O-CD2 3.39Å; K222-Y224 VanDerWaalsContact O-CE2 3.28Å; K222-Y224 WeakPolarHBondContact O-CE2 3.12Å; K222-H333 PolarHBondContact O-CE1 2.85Å; K222-H333 PolarHBondContact O-NE2 2.93Å | ||
| 223 | H | 98.5 | Very high | 97.7 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -99.2 | 130.2 | 172.4 | -65.9 | -87.8 | 0 | 0 | 0 | 110.6 | I120 I132 W160 G164 L165 T167 D221 Y334 | I120-H223 HydrophobicContact CD1-CB 4.21Å; I132-H223 HydrophobicContact CD1-CB 3.81Å; W160-H223 VanDerWaalsContact CD1-O 3.23Å; W160-H223 PolarHBondContact NE1-O 2.86Å; G164-H223 CarbonylContact C-O 3.57Å; G164-H223 VanDerWaalsContact CA-O 3.23Å; G164-H223 WeakPolarHBondContact CA-O 3.18Å; L165-H223 PolarHBondContact N-O 3.49Å; L165-H223 WeakPolarHBondContact O-CB 3.46Å; L165-H223 PolarHBondContact O-N 3.09Å; T167-H223 VanDerWaalsContact CG2-NE2 3.33Å; T167-H223 WeakPolarHBondContact CG2-NE2 3.26Å; D221-H223 PolarHBondContact O-CD2 2.91Å; D221-H223 PolarHBondContact O-N 3.33Å; D221-H223 PolarHBondContact O-NE2 2.97Å; H223-Y334 WeakPolarHBondContact CB-OH 3.29Å; H223-Y334 AromaticContact CE1-CE1 3.71Å; H223-Y334 AromaticContact ND1-CE1 3.26Å; H223-Y334 VanDerWaalsContact ND1-CE1 3.26Å; H223-Y334 WeakPolarHBondContact ND1-CE1 3.28Å; H223-Y334 AromaticContact ND1-CZ 3.41Å; H223-Y334 PolarHBondContact ND1-OH 3.23Å |
| 224 | Y | 98.5 | Very high | 97.7 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | trans | -113.2 | 143 | -172.7 | -64.3 | -93.3 | 0 | 0 | 0 | 113.3 | N163 K222 N330 | N163-Y224 VanDerWaalsContact C-CE1 3.45Å; N163-Y224 VanDerWaalsContact O-CE1 3.23Å; N163-Y224 WeakPolarHBondContact O-CE1 3.46Å; K222-Y224 HydrophobicContact CB-CD2 4.45Å; K222-Y224 HydrophobicContact CB-CE2 3.56Å; K222-Y224 WeakPolarHBondContact O-CD2 3.39Å; K222-Y224 VanDerWaalsContact O-CE2 3.28Å; K222-Y224 WeakPolarHBondContact O-CE2 3.12Å; Y224-N330 WeakPolarHBondContact O-CB 3.28Å; Y224-N330 PolarHBondContact O-N 3.28Å | ||
| 225 | G | 98.1 | Very high | 97.6 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 145.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111 | W160 | W160-G225 VanDerWaalsContact CD2-CA 3.44Å; W160-G225 PolarHBondContact O-N 3.35Å |
| 226 | K | 97.8 | Very high | 97.6 | Very high | 148 Ų | 148 | 50.2 Ų | 50.2 | 64% | 0.643 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -39.6 | 168.5 | -171.7 | 179.3 | 176.9 | -179.8 | 0 | 111.1 | I328 N330 | K226-I328 WeakPolarHBondContact CB-O 3.35Å; K226-I328 PolarHBondContact N-O 3.12Å; K226-N330 HydrophobicContact CB-CB 4.23Å |
| 227 | T | 97.6 | Very high | 97.6 | Very high | 55 Ų | 55 | 48.9 Ų | 48.9 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 146.5 | -177.4 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | G327 I328 | T227-G327 CarbonylContact O-C 2.98Å; T227-G327 WeakPolarHBondContact O-CA 3.38Å; T227-I328 PolarHBondContact O-N 3.3Å |
| 228 | A | 98.4 | Very high | 97.6 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 141.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | L67 W157 T161 A326 | L67-A228 HydrophobicContact CD1-CB 3.92Å; L67-A228 HydrophobicContact CD2-CB 4.12Å; W157-A228 HydrophobicContact CB-CB 3.69Å; T161-A228 HydrophobicContact CG2-CB 3.84Å; A228-A326 WeakPolarHBondContact CA-O 3.4Å |
| 229 | Y | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 157.2 | -176.6 | 48.3 | -94.4 | 0 | 0 | 0 | 112.3 | P68 M70 R119 E241 V325 A326 I328 | P68-Y229 CarbonylContact O-C 3.46Å; P68-Y229 VanDerWaalsContact O-CA 3.23Å; P68-Y229 WeakPolarHBondContact O-CA 3.46Å; P68-Y229 VanDerWaalsContact O-CB 3.22Å; P68-Y229 WeakPolarHBondContact O-CB 3.44Å; M70-Y229 HydrophobicContact CB-CD1 4.33Å; M70-Y229 HydrophobicContact CB-CD2 3.5Å; M70-Y229 VanDerWaalsContact CB-CD2 3.5Å; M70-Y229 HydrophobicContact CB-CE2 4.09Å; M70-Y229 HydrophobicContact CB-CG 3.63Å; M70-Y229 HydrophobicContact CE-CD1 3.41Å; M70-Y229 VanDerWaalsContact CE-CD1 3.41Å; M70-Y229 HydrophobicContact CE-CE1 3.56Å; M70-Y229 HydrophobicContact CE-CG 3.93Å; M70-Y229 HydrophobicContact CG-CD2 4.36Å; M70-Y229 HydrophobicContact CG-CG 4.5Å; M70-Y229 HydrophobicContact SD-CD1 3.97Å; M70-Y229 HydrophobicContact SD-CD2 4.17Å; M70-Y229 HydrophobicContact SD-CE1 3.72Å; M70-Y229 HydrophobicContact SD-CE2 3.93Å; M70-Y229 HydrophobicContact SD-CG 4.18Å; R119-Y229 PolarHBondContact NH1-OH 3.44Å; Y229-E241 PolarHBondContact OH-OE1 2.9Å; Y229-V325 WeakPolarHBondContact O-CA 3.43Å; Y229-A326 HydrophobicContact CD2-CB 4.22Å; Y229-A326 HydrophobicContact CE2-CB 3.64Å; Y229-A326 PolarHBondContact N-O 3.03Å; Y229-A326 PolarHBondContact O-N 3.09Å; Y229-A326 VanDerWaalsContact O-O 3.12Å; Y229-I328 HydrophobicContact CE1-CG1 4.01Å; Y229-I328 WeakPolarHBondContact OH-CD1 3.04Å |
| 230 | G | 98.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 150.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P68 V69 M70 I324 | P68-G230 PolarHBondContact O-N 2.91Å; V69-G230 WeakPolarHBondContact CA-O 3.38Å; M70-G230 PolarHBondContact N-O 2.83Å; G230-I324 WeakPolarHBondContact CA-O 3.01Å |
| 231 | V | 98.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -98.9 | 139.2 | 169.9 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | Q237 I238 E241 I324 A326 | V231-Q237 HydrophobicContact CG1-CB 4.15Å; V231-I238 HydrophobicContact CG1-CG1 4Å; V231-E241 HydrophobicContact CG1-CB 4.31Å; V231-E241 HydrophobicContact CG2-CB 4.19Å; V231-E241 HydrophobicContact CG2-CG 3.86Å; V231-I324 HydrophobicContact CB-CB 4Å; V231-I324 HydrophobicContact CB-CG2 3.67Å; V231-I324 HydrophobicContact CG1-CG2 4.49Å; V231-I324 HydrophobicContact CG2-CB 4.48Å; V231-I324 HydrophobicContact CG2-CG2 3.68Å; V231-I324 PolarHBondContact N-O 2.9Å; V231-A326 HydrophobicContact CG2-CB 4.42Å |
| 232 | P | 96.8 | Very high | 97.6 | Very high | 19 Ų | 19 | 34.5 Ų | 34.5 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -54.1 | 144.5 | 174.2 | -22.2 | 29.7 | 0 | 0 | 0 | 111.9 | V69 M70 V71 E234 Q237 | V69-P232 HydrophobicContact CG1-CB 4.41Å; V69-P232 HydrophobicContact CG1-CG 3.58Å; M70-P232 WeakPolarHBondContact O-CD 3.47Å; V71-P232 HydrophobicContact CG2-CG 4.15Å; P232-E234 HydrophobicContact CB-CG 4.46Å; P232-E234 PolarHBondContact O-N 3.03Å; P232-Q237 HydrophobicContact CB-CB 4.06Å; P232-Q237 HydrophobicContact CB-CG 3.95Å; P232-Q237 HydrophobicContact CG-CB 4.13Å; P232-Q237 HydrophobicContact CG-CG 3.96Å |
| 233 | S | 96.4 | Very high | 97.6 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 44% | 0.441 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -74.2 | 57.3 | 175.1 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | E321 | S233-E321 WeakPolarHBondContact CA-O 3.46Å; S233-E321 WeakPolarHBondContact CB-O 3.47Å; S233-E321 PolarHBondContact OG-O 2.69Å |
| 234 | E | 95.7 | Very high | 97.5 | Very high | 118 Ų | 118 | 40.1 Ų | 40.1 | 55% | 0.551 | 20% | 0.201 | S | C | * | . | trans | -133 | 129.2 | 179 | -66.7 | 177.5 | -164.2 | 0 | 0 | 108.3 | P232 D236 Q237 I238 | P232-E234 HydrophobicContact CB-CG 4.46Å; P232-E234 PolarHBondContact O-N 3.03Å; E234-D236 VanDerWaalsContact C-N 3.3Å; E234-D236 PolarHBondContact O-N 3.32Å; E234-Q237 HydrophobicContact CB-CB 4.06Å; E234-Q237 HydrophobicContact CB-CG 3.79Å; E234-Q237 WeakPolarHBondContact O-CB 3.44Å; E234-Q237 PolarHBondContact O-N 2.96Å; E234-I238 PolarHBondContact O-N 3.08Å; E234-I238 VanDerWaalsContact O-N 3.1Å | ||
| 235 | E | 96.1 | Very high | 97.5 | Very high | 49 Ų | 49 | 38.2 Ų | 38.2 | 23% | 0.229 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.1 | -47.9 | -175.2 | -174.7 | -167.9 | 138 | 0 | 0 | 112.4 | Q237 I238 K239 W293 R313 G314 | E235-Q237 VanDerWaalsContact C-N 3.27Å; E235-Q237 PolarHBondContact O-N 2.91Å; E235-I238 PolarHBondContact O-N 2.82Å; E235-K239 HydrophobicContact CG-CD 3.75Å; E235-K239 HydrophobicContact CG-CG 4.4Å; E235-K239 WeakPolarHBondContact O-CG 3.38Å; E235-K239 PolarHBondContact O-N 2.91Å; E235-K239 WeakPolarHBondContact OE1-CD 3.35Å; E235-K239 IonicContact OE1-NZ 3.32Å; E235-K239 PolarHBondContact OE1-NZ 2.76Å; E235-W293 HydrophobicContact CG-CH2 4.31Å; E235-W293 HydrophobicContact CG-CZ2 4Å; E235-R313 VanDerWaalsContact CD-NH1 3.31Å; E235-R313 HydrophobicContact CG-CG 3.91Å; E235-R313 IonicContact OE1-CZ 3.69Å; E235-R313 IonicContact OE1-NH1 2.65Å; E235-R313 PolarHBondContact OE1-NH1 2.8Å; E235-R313 IonicContact OE2-NH1 3.55Å; E235-G314 VanDerWaalsContact OE2-CA 3.3Å; E235-G314 WeakPolarHBondContact OE2-CA 3.02Å |
| 236 | D | 95.1 | Very high | 97.5 | Very high | 96 Ų | 96 | 38 Ų | 38 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.5 | -29.3 | -178 | -75.4 | -24.8 | 0 | 0 | 0 | 112.8 | E234 S240 | E234-D236 VanDerWaalsContact C-N 3.3Å; E234-D236 PolarHBondContact O-N 3.32Å; D236-S240 WeakPolarHBondContact O-CB 3.49Å; D236-S240 PolarHBondContact O-N 3.32Å; D236-S240 PolarHBondContact O-OG 3.05Å |
| 237 | Q | 96.8 | Very high | 97.6 | Very high | 18 Ų | 18 | 30.9 Ų | 30.9 | 8% | 0.084 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.3 | -43.8 | 175.9 | -68.1 | -70.2 | -39.8 | 0 | 0 | 110.8 | Q72 V231 P232 E234 E235 S240 E241 | Q72-Q237 VanDerWaalsContact CB-OE1 3.3Å; Q72-Q237 PolarHBondContact O-NE2 2.93Å; Q72-Q237 PolarHBondContact O-OE1 2.99Å; V231-Q237 HydrophobicContact CG1-CB 4.15Å; P232-Q237 HydrophobicContact CB-CB 4.06Å; P232-Q237 HydrophobicContact CB-CG 3.95Å; P232-Q237 HydrophobicContact CG-CB 4.13Å; P232-Q237 HydrophobicContact CG-CG 3.96Å; E234-Q237 HydrophobicContact CB-CB 4.06Å; E234-Q237 HydrophobicContact CB-CG 3.79Å; E234-Q237 WeakPolarHBondContact O-CB 3.44Å; E234-Q237 PolarHBondContact O-N 2.96Å; E235-Q237 VanDerWaalsContact C-N 3.27Å; E235-Q237 PolarHBondContact O-N 2.91Å; Q237-S240 PolarHBondContact O-N 3.04Å; Q237-E241 PolarHBondContact O-N 2.87Å |
| 238 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.3 | -46.3 | 177.8 | -59.3 | 164.6 | 0 | 0 | 0 | 110.5 | V231 E234 E235 S240 E241 I242 W293 E321 I324 | V231-I238 HydrophobicContact CG1-CG1 4Å; E234-I238 PolarHBondContact O-N 3.08Å; E234-I238 VanDerWaalsContact O-N 3.1Å; E235-I238 PolarHBondContact O-N 2.82Å; I238-S240 VanDerWaalsContact C-N 3.32Å; I238-S240 PolarHBondContact O-N 3.08Å; I238-E241 PolarHBondContact O-N 2.73Å; I238-I242 HydrophobicContact CG2-CD1 3.91Å; I238-I242 WeakPolarHBondContact O-CG1 3Å; I238-I242 PolarHBondContact O-N 3.42Å; I238-W293 HydrophobicContact CB-CH2 3.71Å; I238-W293 HydrophobicContact CB-CZ2 4.07Å; I238-W293 HydrophobicContact CD1-CZ2 4.31Å; I238-W293 HydrophobicContact CG2-CH2 3.45Å; I238-W293 VanDerWaalsContact CG2-CH2 3.45Å; I238-W293 HydrophobicContact CG2-CZ2 3.9Å; I238-W293 HydrophobicContact CG2-CZ3 3.96Å; I238-E321 HydrophobicContact CD1-CB 3.78Å; I238-E321 HydrophobicContact CD1-CG 3.75Å; I238-I324 HydrophobicContact CD1-CG1 3.77Å; I238-I324 HydrophobicContact CG1-CG1 4.01Å |
| 239 | K | 98.1 | Very high | 97.7 | Very high | 25 Ų | 25 | 27.5 Ų | 27.5 | 11% | 0.109 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.6 | -43.3 | 175.3 | -67.1 | 165.1 | 68.2 | -175.4 | 0 | 111.3 | L79 E235 E241 I242 Y243 W284 W293 | L79-K239 HydrophobicContact CD1-CB 3.64Å; E235-K239 HydrophobicContact CG-CD 3.75Å; E235-K239 HydrophobicContact CG-CG 4.4Å; E235-K239 WeakPolarHBondContact O-CG 3.38Å; E235-K239 PolarHBondContact O-N 2.91Å; E235-K239 WeakPolarHBondContact OE1-CD 3.35Å; E235-K239 IonicContact OE1-NZ 3.32Å; E235-K239 PolarHBondContact OE1-NZ 2.76Å; K239-E241 VanDerWaalsContact C-N 3.34Å; K239-E241 PolarHBondContact O-N 3.39Å; K239-I242 PolarHBondContact O-N 3.47Å; K239-Y243 WeakPolarHBondContact O-CB 3.46Å; K239-Y243 PolarHBondContact O-N 3.46Å; K239-W284 HydrophobicContact CB-CD2 4.38Å; K239-W284 HydrophobicContact CB-CE3 4.22Å; K239-W284 HydrophobicContact CB-CH2 4.07Å; K239-W284 HydrophobicContact CB-CZ2 4.19Å; K239-W284 HydrophobicContact CB-CZ3 4.08Å; K239-W284 HydrophobicContact CD-CD2 4.41Å; K239-W284 HydrophobicContact CG-CD2 3.84Å; K239-W284 HydrophobicContact CG-CE3 3.95Å; K239-W284 HydrophobicContact CG-CG 4.29Å; K239-W284 HydrophobicContact CG-CZ2 4.42Å; K239-W284 HydrophobicContact CG-CZ3 4.32Å; K239-W293 HydrophobicContact CD-CH2 4.38Å; K239-W293 HydrophobicContact CG-CH2 3.52Å; K239-W293 HydrophobicContact CG-CZ3 3.75Å |
| 240 | S | 97.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 178 | -66.3 | 0 | 0 | 0 | 0 | 112.3 | D236 Q237 I238 K244 | D236-S240 WeakPolarHBondContact O-CB 3.49Å; D236-S240 PolarHBondContact O-N 3.32Å; D236-S240 PolarHBondContact O-OG 3.05Å; Q237-S240 PolarHBondContact O-N 3.04Å; I238-S240 VanDerWaalsContact C-N 3.32Å; I238-S240 PolarHBondContact O-N 3.08Å; S240-K244 WeakPolarHBondContact O-CB 3.38Å; S240-K244 VanDerWaalsContact O-CG 3.24Å; S240-K244 WeakPolarHBondContact O-CG 3.22Å; S240-K244 PolarHBondContact O-N 3.48Å |
| 241 | E | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.1 | -50.2 | 176.6 | 175.2 | 60.7 | -166.8 | 0 | 0 | 111 | Q72 R119 Y229 V231 Q237 I238 K239 Y243 K244 N245 V248 A326 | Q72-E241 HydrophobicContact CG-CB 4.25Å; Q72-E241 PolarHBondContact NE2-OE2 2.83Å; R119-E241 IonicContact CZ-OE1 3.42Å; R119-E241 VanDerWaalsContact CZ-OE1 3.26Å; R119-E241 IonicContact NH1-OE1 2.65Å; R119-E241 PolarHBondContact NH1-OE1 2.93Å; R119-E241 IonicContact NH2-OE1 3.46Å; R119-E241 PolarHBondContact NH2-OE1 2.93Å; Y229-E241 PolarHBondContact OH-OE1 2.9Å; V231-E241 HydrophobicContact CG1-CB 4.31Å; V231-E241 HydrophobicContact CG2-CB 4.19Å; V231-E241 HydrophobicContact CG2-CG 3.86Å; Q237-E241 PolarHBondContact O-N 2.87Å; I238-E241 PolarHBondContact O-N 2.73Å; K239-E241 VanDerWaalsContact C-N 3.34Å; K239-E241 PolarHBondContact O-N 3.39Å; E241-Y243 VanDerWaalsContact C-N 3.35Å; E241-Y243 PolarHBondContact O-N 2.73Å; E241-K244 PolarHBondContact O-N 3.48Å; E241-N245 WeakPolarHBondContact O-CB 3.45Å; E241-N245 PolarHBondContact O-N 2.99Å; E241-N245 WeakPolarHBondContact OE1-CB 3.36Å; E241-N245 PolarHBondContact OE1-ND2 2.89Å; E241-N245 PolarHBondContact OE2-ND2 2.83Å; E241-V248 HydrophobicContact CB-CG1 4.41Å; E241-V248 HydrophobicContact CG-CG1 3.51Å; E241-A326 HydrophobicContact CG-CB 4.42Å |
| 242 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.3 | -45.6 | -179.7 | -65.4 | 167.3 | 0 | 0 | 0 | 110.7 | F83 W89 I238 K239 K244 G246 V248 I281 W284 W293 | F83-I242 HydrophobicContact CD1-CG2 4Å; F83-I242 HydrophobicContact CE1-CG2 3.73Å; W89-I242 WeakPolarHBondContact CH2-O 3.49Å; I238-I242 HydrophobicContact CG2-CD1 3.91Å; I238-I242 WeakPolarHBondContact O-CG1 3Å; I238-I242 PolarHBondContact O-N 3.42Å; K239-I242 PolarHBondContact O-N 3.47Å; I242-K244 VanDerWaalsContact C-N 3.34Å; I242-K244 PolarHBondContact O-N 2.81Å; I242-G246 WeakPolarHBondContact CA-O 3.48Å; I242-G246 WeakPolarHBondContact O-CA 3.43Å; I242-G246 PolarHBondContact O-N 2.9Å; I242-V248 HydrophobicContact CD1-CG2 3.97Å; I242-V248 HydrophobicContact CG1-CG1 3.97Å; I242-V248 HydrophobicContact CG1-CG2 3.91Å; I242-I281 HydrophobicContact CD1-CB 4.19Å; I242-I281 HydrophobicContact CD1-CG2 3.69Å; I242-W284 HydrophobicContact CB-CZ3 4.02Å; I242-W284 HydrophobicContact CG2-CZ3 3.92Å; I242-W293 HydrophobicContact CD1-CZ3 4.1Å |
| 243 | Y | 98 | Very high | 97.8 | Very high | 77 Ų | 77 | 27.2 Ų | 27.2 | 30% | 0.302 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -59.3 | -43 | -179 | -170.6 | -105.2 | 0 | 0 | 0 | 113 | M77 L79 P80 F83 W89 K239 E241 W284 | M77-Y243 HydrophobicContact SD-CD1 3.91Å; M77-Y243 HydrophobicContact SD-CE1 4.39Å; L79-Y243 HydrophobicContact CD2-CD1 3.99Å; L79-Y243 HydrophobicContact CD2-CD2 4.31Å; L79-Y243 HydrophobicContact CD2-CG 3.76Å; P80-Y243 HydrophobicContact CG-CD2 4.34Å; P80-Y243 HydrophobicContact CG-CE2 4.03Å; F83-Y243 AromaticContact CD2-CD2 3.6Å; F83-Y243 HydrophobicContact CD2-CD2 3.6Å; F83-Y243 AromaticContact CD2-CE2 3.93Å; F83-Y243 HydrophobicContact CD2-CE2 3.93Å; F83-Y243 AromaticContact CE2-CD2 3.45Å; F83-Y243 HydrophobicContact CE2-CD2 3.45Å; F83-Y243 VanDerWaalsContact CE2-CD2 3.45Å; F83-Y243 AromaticContact CE2-CE2 3.78Å; F83-Y243 HydrophobicContact CE2-CE2 3.78Å; F83-Y243 HydrophobicContact CE2-CG 4.48Å; F83-Y243 HydrophobicContact CG-CD2 4.39Å; F83-Y243 HydrophobicContact CZ-CD2 4.15Å; W89-Y243 WeakPolarHBondContact CH2-O 3.45Å; K239-Y243 WeakPolarHBondContact O-CB 3.46Å; K239-Y243 PolarHBondContact O-N 3.46Å; E241-Y243 VanDerWaalsContact C-N 3.35Å; E241-Y243 PolarHBondContact O-N 2.73Å; Y243-W284 HydrophobicContact CD2-CH2 4.15Å |
| 244 | K | 96.5 | Very high | 97.9 | Very high | 64 Ų | 64 | 24.2 Ų | 24.2 | 28% | 0.278 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -84.1 | -41.7 | -174.8 | -66.1 | 176.2 | -166.5 | 175.8 | 0 | 112.2 | Y73 M77 S240 E241 I242 | Y73-K244 PolarHBondContact O-NZ 2.91Å; M77-K244 HydrophobicContact CE-CD 4.18Å; M77-K244 HydrophobicContact CE-CG 4.05Å; M77-K244 HydrophobicContact SD-CD 4.41Å; M77-K244 WeakPolarHBondContact SD-CE 3.47Å; M77-K244 HydrophobicContact SD-CG 4.18Å; S240-K244 WeakPolarHBondContact O-CB 3.38Å; S240-K244 VanDerWaalsContact O-CG 3.24Å; S240-K244 WeakPolarHBondContact O-CG 3.22Å; S240-K244 PolarHBondContact O-N 3.48Å; E241-K244 PolarHBondContact O-N 3.48Å; I242-K244 VanDerWaalsContact C-N 3.34Å; I242-K244 PolarHBondContact O-N 2.81Å |
| 245 | N | 98.3 | Very high | 98 | Very high | 27 Ų | 27 | 21.5 Ų | 21.5 | 14% | 0.144 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -118.9 | -5.7 | -161 | -62.3 | -45.4 | 0 | 0 | 0 | 113.6 | H123 E241 I328 | H123-N245 PolarHBondContact NE2-O 2.63Å; E241-N245 WeakPolarHBondContact O-CB 3.45Å; E241-N245 PolarHBondContact O-N 2.99Å; E241-N245 WeakPolarHBondContact OE1-CB 3.36Å; E241-N245 PolarHBondContact OE1-ND2 2.89Å; E241-N245 PolarHBondContact OE2-ND2 2.83Å; N245-I328 HydrophobicContact CB-CD1 4.28Å |
| 246 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | 92.7 | -177 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R119 I242 | R119-G246 PolarHBondContact NH2-O 2.89Å; I242-G246 WeakPolarHBondContact CA-O 3.48Å; I242-G246 WeakPolarHBondContact O-CA 3.43Å; I242-G246 PolarHBondContact O-N 2.9Å | ||
| 247 | P | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -51.1 | 150.5 | -173.7 | -28.5 | 35.6 | 0 | 0 | 0 | 114.4 | L95 D118 R119 K280 I281 L282 | L95-P247 HydrophobicContact CD2-CG 3.46Å; L95-P247 VanDerWaalsContact CD2-CG 3.46Å; D118-P247 HydrophobicContact CB-CG 4.11Å; R119-P247 PolarHBondContact NE-O 3.16Å; R119-P247 PolarHBondContact NH2-O 3.4Å; R119-P247 VanDerWaalsContact NH2-O 3.11Å; P247-K280 HydrophobicContact CB-CD 3.85Å; P247-K280 HydrophobicContact CB-CG 3.73Å; P247-K280 HydrophobicContact CG-CD 4.43Å; P247-I281 VanDerWaalsContact CA-O 3.23Å; P247-I281 WeakPolarHBondContact CA-O 3.44Å; P247-I281 WeakPolarHBondContact CB-O 3.42Å; P247-L282 HydrophobicContact CB-CB 4.1Å; P247-L282 HydrophobicContact CG-CB 3.83Å | ||
| 248 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 158 | 176.2 | -62.1 | 0 | 0 | 0 | 0 | 109.7 | E241 I242 K280 I281 I324 A326 | E241-V248 HydrophobicContact CB-CG1 4.41Å; E241-V248 HydrophobicContact CG-CG1 3.51Å; I242-V248 HydrophobicContact CD1-CG2 3.97Å; I242-V248 HydrophobicContact CG1-CG1 3.97Å; I242-V248 HydrophobicContact CG1-CG2 3.91Å; V248-K280 WeakPolarHBondContact O-CA 3.46Å; V248-I281 HydrophobicContact CG2-CB 3.87Å; V248-I281 HydrophobicContact CG2-CD1 4.39Å; V248-I281 HydrophobicContact CG2-CG1 4.36Å; V248-I281 PolarHBondContact N-O 3.26Å; V248-I281 PolarHBondContact O-N 3.06Å; V248-I324 HydrophobicContact CB-CG2 3.85Å; V248-I324 HydrophobicContact CG1-CG2 4.26Å; V248-I324 HydrophobicContact CG2-CG2 3.67Å; V248-A326 HydrophobicContact CG1-CB 4.01Å |
| 249 | E | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 134 | 165.5 | -179.8 | 176 | -146.6 | 0 | 0 | 109.1 | G111 A112 P153 W157 A278 I279 I324 V325 | G111-E249 VanDerWaalsContact C-CD 3.48Å; G111-E249 WeakPolarHBondContact CA-OE1 3.37Å; A112-E249 WeakPolarHBondContact CA-OE2 3.31Å; A112-E249 WeakPolarHBondContact CB-OE2 3.22Å; A112-E249 PolarHBondContact N-OE1 2.8Å; A112-E249 PolarHBondContact N-OE2 2.86Å; P153-E249 HydrophobicContact CB-CG 4.32Å; W157-E249 HydrophobicContact CZ2-CB 4.07Å; W157-E249 PolarHBondContact NE1-OE2 3.26Å; E249-A278 HydrophobicContact CG-CB 4.5Å; E249-I279 WeakPolarHBondContact CA-O 3.5Å; E249-I324 WeakPolarHBondContact O-CA 3.3Å; E249-V325 HydrophobicContact CB-CG2 4.08Å; E249-V325 HydrophobicContact CG-CG2 4.36Å; E249-V325 PolarHBondContact N-O 2.85Å; E249-V325 VanDerWaalsContact N-O 3.08Å; E249-V325 PolarHBondContact O-N 3.43Å |
| 250 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 161.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A278 I279 E323 | G250-A278 CarbonylContact O-C 3.52Å; G250-A278 VanDerWaalsContact O-CA 3.28Å; G250-A278 WeakPolarHBondContact O-CA 3.37Å; G250-I279 PolarHBondContact N-O 3.37Å; G250-I279 PolarHBondContact O-N 3.36Å; G250-E323 WeakPolarHBondContact CA-O 3.32Å |
| 251 | A | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.008 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T60 L62 H277 A278 G319 E323 | T60-A251 HydrophobicContact CG2-CB 3.87Å; L62-A251 HydrophobicContact CD2-CB 3.62Å; A251-H277 VanDerWaalsContact CA-O 3.28Å; A251-H277 WeakPolarHBondContact CA-O 3.4Å; A251-A278 HydrophobicContact CB-CB 4.44Å; A251-G319 VanDerWaalsContact O-O 3.1Å; A251-E323 HydrophobicContact CB-CB 4.18Å; A251-E323 PolarHBondContact N-O 3.36Å |
| 252 | F | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 165.4 | 178.4 | 73 | -70.1 | 0 | 0 | 0 | 111.5 | V254 F258 G276 H277 I279 F309 I311 C318 I320 | F252-V254 HydrophobicContact CE1-CG2 4.42Å; F252-V254 HydrophobicContact CE2-CG2 3.87Å; F252-V254 HydrophobicContact CZ-CG2 3.8Å; F252-F258 HydrophobicContact CE2-CD1 4.45Å; F252-F258 HydrophobicContact CE2-CD2 4.33Å; F252-F258 HydrophobicContact CE2-CE1 4.31Å; F252-F258 HydrophobicContact CE2-CE2 4.19Å; F252-F258 HydrophobicContact CE2-CG 4.44Å; F252-F258 HydrophobicContact CE2-CZ 4.16Å; F252-F258 HydrophobicContact CZ-CD1 4.28Å; F252-F258 AromaticContact CZ-CE1 3.75Å; F252-F258 HydrophobicContact CZ-CE1 3.75Å; F252-F258 HydrophobicContact CZ-CE2 4.1Å; F252-F258 AromaticContact CZ-CZ 3.63Å; F252-F258 HydrophobicContact CZ-CZ 3.63Å; F252-G276 WeakPolarHBondContact O-CA 3.33Å; F252-H277 WeakPolarHBondContact CD1-O 3.15Å; F252-H277 HydrophobicContact CE1-CB 4.25Å; F252-H277 AromaticContact CE1-CD2 3.94Å; F252-H277 PolarHBondContact N-O 3.2Å; F252-H277 PolarHBondContact O-N 3.36Å; F252-I279 HydrophobicContact CD1-CG1 4.08Å; F252-I279 HydrophobicContact CE1-CG1 4.07Å; F252-I279 HydrophobicContact CE1-CG2 3.84Å; F252-F309 AromaticContact CE1-CZ 3.98Å; F252-F309 HydrophobicContact CE1-CZ 3.98Å; F252-F309 HydrophobicContact CZ-CE2 4.31Å; F252-F309 HydrophobicContact CZ-CZ 4.05Å; F252-I311 HydrophobicContact CD2-CD1 4.06Å; F252-I311 HydrophobicContact CE2-CD1 4.37Å; F252-C318 HydrophobicContact CB-CB 4.33Å; F252-C318 HydrophobicContact CD2-CB 4.07Å; F252-I320 HydrophobicContact CB-CB 4.14Å; F252-I320 HydrophobicContact CB-CD1 3.76Å; F252-I320 HydrophobicContact CD1-CD1 3.85Å; F252-I320 HydrophobicContact CG-CD1 3.93Å |
| 253 | T | 98.8 | Very high | 98.1 | Very high | 32 Ų | 32 | 19.1 Ų | 19.1 | 20% | 0.196 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 119.5 | 173.7 | -55.7 | 0 | 0 | 0 | 0 | 110.1 | L62 Y255 A273 C318 | L62-T253 WeakPolarHBondContact CD1-OG1 3.44Å; T253-Y255 HydrophobicContact CG2-CD2 4.13Å; T253-Y255 HydrophobicContact CG2-CE2 3.59Å; T253-Y255 WeakPolarHBondContact O-CD2 3.45Å; T253-A273 HydrophobicContact CG2-CB 3.84Å; T253-C318 PolarHBondContact N-O 3.32Å; T253-C318 WeakPolarHBondContact O-CB 3.24Å |
| 254 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 134.1 | 171.3 | 178.3 | 0 | 0 | 0 | 0 | 109 | F252 F258 L274 G275 H277 | F252-V254 HydrophobicContact CE1-CG2 4.42Å; F252-V254 HydrophobicContact CE2-CG2 3.87Å; F252-V254 HydrophobicContact CZ-CG2 3.8Å; V254-F258 HydrophobicContact CG1-CB 4.09Å; V254-F258 HydrophobicContact CG1-CD1 3.91Å; V254-F258 HydrophobicContact CG1-CG 4.38Å; V254-F258 HydrophobicContact CG2-CD1 4.34Å; V254-L274 HydrophobicContact CB-CB 4.47Å; V254-L274 HydrophobicContact CG1-CB 4.28Å; V254-L274 HydrophobicContact CG1-CD1 4.01Å; V254-L274 PolarHBondContact O-N 2.96Å; V254-G275 PolarHBondContact N-O 2.94Å; V254-H277 HydrophobicContact CG2-CB 3.35Å |
| 255 | Y | 98.1 | Very high | 98.3 | Very high | 61 Ų | 61 | 12.8 Ų | 12.8 | 24% | 0.239 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 161.4 | 173.2 | -69.3 | -97.8 | 0 | 0 | 0 | 110.1 | T253 D257 F258 P259 H268 T272 A273 C318 | T253-Y255 HydrophobicContact CG2-CD2 4.13Å; T253-Y255 HydrophobicContact CG2-CE2 3.59Å; T253-Y255 WeakPolarHBondContact O-CD2 3.45Å; Y255-D257 VanDerWaalsContact CB-OD1 3.31Å; Y255-D257 WeakPolarHBondContact CB-OD1 3.35Å; Y255-D257 PolarHBondContact O-N 2.62Å; Y255-F258 WeakPolarHBondContact O-CB 3.29Å; Y255-F258 PolarHBondContact O-N 3.34Å; Y255-P259 WeakPolarHBondContact O-CD 3.08Å; Y255-H268 VanDerWaalsContact CB-ND1 3.27Å; Y255-H268 WeakPolarHBondContact CB-ND1 3.45Å; Y255-H268 AromaticContact CD1-CD2 3.95Å; Y255-H268 AromaticContact CD1-CE1 3.33Å; Y255-H268 WeakPolarHBondContact CD1-CE1 3.39Å; Y255-H268 AromaticContact CD1-ND1 3.78Å; Y255-H268 AromaticContact CD1-NE2 3.47Å; Y255-H268 WeakPolarHBondContact CD1-NE2 3.41Å; Y255-H268 HydrophobicContact CD2-CB 4.32Å; Y255-H268 AromaticContact CD2-CG 3.92Å; Y255-H268 AromaticContact CD2-ND1 4Å; Y255-H268 AromaticContact CE1-NE2 3.78Å; Y255-H268 AromaticContact CG-CE1 3.48Å; Y255-H268 VanDerWaalsContact CG-CE1 3.48Å; Y255-H268 AromaticContact CG-CG 3.77Å; Y255-H268 AromaticContact CG-ND1 3.42Å; Y255-H268 AromaticContact CG-NE2 3.92Å; Y255-T272 WeakPolarHBondContact CA-O 3.4Å; Y255-A273 HydrophobicContact CD1-CB 4.26Å; Y255-A273 HydrophobicContact CE1-CB 4.06Å; Y255-C318 HydrophobicContact CE2-CB 4.38Å |
| 256 | E | 96.8 | Very high | 98.3 | Very high | 21 Ų | 21 | 11.5 Ų | 11.5 | 10% | 0.098 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.2 | -174.8 | -70.4 | 167.6 | 144.6 | 0 | 0 | 115.3 | P24 M29 Y51 G271 T272 L274 | P24-E256 HydrophobicContact CB-CB 4.1Å; P24-E256 HydrophobicContact CB-CG 4.15Å; P24-E256 HydrophobicContact CG-CB 4.1Å; P24-E256 HydrophobicContact CG-CG 3.83Å; P24-E256 WeakPolarHBondContact CG-OE1 3.29Å; M29-E256 HydrophobicContact CE-CB 4.18Å; Y51-E256 HydrophobicContact CE2-CG 4.35Å; Y51-E256 PolarHBondContact OH-OE1 3.41Å; E256-G271 VanDerWaalsContact OE2-CA 3.24Å; E256-G271 WeakPolarHBondContact OE2-CA 3.48Å; E256-T272 VanDerWaalsContact CD-OG1 3.22Å; E256-T272 WeakPolarHBondContact CG-O 3.26Å; E256-T272 PolarHBondContact N-O 3Å; E256-T272 PolarHBondContact OE1-OG1 2.6Å; E256-T272 PolarHBondContact OE2-N 2.91Å; E256-T272 PolarHBondContact OE2-OG1 3.03Å; E256-L274 HydrophobicContact CG-CD1 4.47Å; E256-L274 HydrophobicContact CG-CD2 3.55Å; E256-L274 HydrophobicContact CG-CG 3.93Å |
| 257 | D | 97.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -32.7 | 174.4 | 55.6 | -9 | 0 | 0 | 0 | 113.3 | I33 W40 Y255 S260 Y266 H268 V269 S270 | I33-D257 HydrophobicContact CD1-CB 3.74Å; I33-D257 HydrophobicContact CG1-CB 4.49Å; W40-D257 HydrophobicContact CH2-CB 4.16Å; W40-D257 HydrophobicContact CZ2-CB 4.3Å; Y255-D257 VanDerWaalsContact CB-OD1 3.31Å; Y255-D257 WeakPolarHBondContact CB-OD1 3.35Å; Y255-D257 PolarHBondContact O-N 2.62Å; D257-S260 WeakPolarHBondContact O-CB 3.08Å; D257-S260 PolarHBondContact O-N 2.88Å; D257-S260 PolarHBondContact O-OG 3.11Å; D257-Y266 PolarHBondContact OD1-OH 2.76Å; D257-Y266 VanDerWaalsContact OD1-OH 3.1Å; D257-H268 IonicContact OD1-CE1 3.93Å; D257-H268 IonicContact OD1-ND1 2.76Å; D257-H268 PolarHBondContact OD1-ND1 2.87Å; D257-H268 IonicContact OD2-CE1 3.3Å; D257-H268 IonicContact OD2-ND1 2.86Å; D257-H268 PolarHBondContact OD2-ND1 2.93Å; D257-H268 VanDerWaalsContact OD2-ND1 3.16Å; D257-V269 PolarHBondContact OD2-N 3.31Å; D257-S270 VanDerWaalsContact CB-O 3.29Å; D257-S270 WeakPolarHBondContact CB-O 3.44Å; D257-S270 PolarHBondContact OD2-N 3.14Å |
| 258 | F | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -57.3 | -40.7 | -177.4 | -178.3 | -100.8 | 0 | 0 | 0 | 115.1 | F252 V254 Y255 S260 Y261 Y266 W299 W303 F309 | F252-F258 HydrophobicContact CE2-CD1 4.45Å; F252-F258 HydrophobicContact CE2-CD2 4.33Å; F252-F258 HydrophobicContact CE2-CE1 4.31Å; F252-F258 HydrophobicContact CE2-CE2 4.19Å; F252-F258 HydrophobicContact CE2-CG 4.44Å; F252-F258 HydrophobicContact CE2-CZ 4.16Å; F252-F258 HydrophobicContact CZ-CD1 4.28Å; F252-F258 AromaticContact CZ-CE1 3.75Å; F252-F258 HydrophobicContact CZ-CE1 3.75Å; F252-F258 HydrophobicContact CZ-CE2 4.1Å; F252-F258 AromaticContact CZ-CZ 3.63Å; F252-F258 HydrophobicContact CZ-CZ 3.63Å; V254-F258 HydrophobicContact CG1-CB 4.09Å; V254-F258 HydrophobicContact CG1-CD1 3.91Å; V254-F258 HydrophobicContact CG1-CG 4.38Å; V254-F258 HydrophobicContact CG2-CD1 4.34Å; Y255-F258 WeakPolarHBondContact O-CB 3.29Å; Y255-F258 PolarHBondContact O-N 3.34Å; F258-S260 PolarHBondContact O-N 3.33Å; F258-Y261 VanDerWaalsContact O-CB 3.22Å; F258-Y261 WeakPolarHBondContact O-CB 3.49Å; F258-Y261 PolarHBondContact O-N 3.18Å; F258-Y266 HydrophobicContact CB-CE1 4.39Å; F258-Y266 HydrophobicContact CB-CE2 3.9Å; F258-Y266 AromaticContact CD2-CD1 3.65Å; F258-Y266 HydrophobicContact CD2-CD1 3.65Å; F258-Y266 AromaticContact CD2-CD2 3.81Å; F258-Y266 HydrophobicContact CD2-CD2 3.81Å; F258-Y266 AromaticContact CD2-CE1 3.64Å; F258-Y266 HydrophobicContact CD2-CE1 3.64Å; F258-Y266 AromaticContact CD2-CE2 3.79Å; F258-Y266 HydrophobicContact CD2-CE2 3.79Å; F258-Y266 AromaticContact CD2-CG 3.74Å; F258-Y266 HydrophobicContact CD2-CG 3.74Å; F258-Y266 AromaticContact CD2-CZ 3.7Å; F258-Y266 HydrophobicContact CE2-CD1 4.04Å; F258-Y266 HydrophobicContact CE2-CE1 4.38Å; F258-Y266 HydrophobicContact CE2-CG 4.15Å; F258-Y266 HydrophobicContact CG-CE1 4.4Å; F258-Y266 HydrophobicContact CG-CE2 4.37Å; F258-W299 AromaticContact CD1-CH2 3.96Å; F258-W299 HydrophobicContact CD1-CH2 3.96Å; F258-W299 HydrophobicContact CD1-CZ3 4.04Å; F258-W299 AromaticContact CE1-CH2 3.88Å; F258-W299 HydrophobicContact CE1-CH2 3.88Å; F258-W299 AromaticContact CE1-CZ3 3.84Å; F258-W299 HydrophobicContact CE1-CZ3 3.84Å; F258-W303 HydrophobicContact CD1-CZ2 4.16Å; F258-W303 AromaticContact CE1-CH2 3.75Å; F258-W303 HydrophobicContact CE1-CH2 3.75Å; F258-W303 AromaticContact CE1-CZ2 3.52Å; F258-W303 HydrophobicContact CE1-CZ2 3.52Å; F258-W303 HydrophobicContact CE2-CH2 4.12Å; F258-W303 HydrophobicContact CE2-CZ2 4.31Å; F258-W303 AromaticContact CZ-CH2 3.4Å; F258-W303 HydrophobicContact CZ-CH2 3.4Å; F258-W303 AromaticContact CZ-CZ2 3.63Å; F258-W303 HydrophobicContact CZ-CZ2 3.63Å; F258-F309 AromaticContact CE2-CD2 3.7Å; F258-F309 HydrophobicContact CE2-CD2 3.7Å; F258-F309 AromaticContact CE2-CE2 3.85Å; F258-F309 HydrophobicContact CE2-CE2 3.85Å; F258-F309 HydrophobicContact CE2-CG 4.21Å; F258-F309 HydrophobicContact CE2-CZ 4.47Å; F258-F309 HydrophobicContact CZ-CD1 4.19Å; F258-F309 AromaticContact CZ-CD2 3.83Å; F258-F309 HydrophobicContact CZ-CD2 3.83Å; F258-F309 HydrophobicContact CZ-CE1 4.16Å; F258-F309 AromaticContact CZ-CE2 3.8Å; F258-F309 HydrophobicContact CZ-CE2 3.8Å; F258-F309 HydrophobicContact CZ-CG 4.01Å; F258-F309 AromaticContact CZ-CZ 3.96Å; F258-F309 HydrophobicContact CZ-CZ 3.96Å |
| 259 | P | 96.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -54.7 | -19.6 | 174.4 | -28.9 | 35.7 | 0 | 0 | 0 | 114.2 | L25 N45 F46 V54 Y255 L274 | L25-P259 HydrophobicContact CD2-CB 3.61Å; L25-P259 HydrophobicContact CD2-CG 4.3Å; N45-P259 WeakPolarHBondContact CB-O 3.48Å; N45-P259 PolarHBondContact ND2-O 2.65Å; F46-P259 HydrophobicContact CD2-CB 3.73Å; F46-P259 HydrophobicContact CE2-CB 3.77Å; V54-P259 HydrophobicContact CG1-CB 4.11Å; V54-P259 HydrophobicContact CG1-CG 3.71Å; Y255-P259 WeakPolarHBondContact O-CD 3.08Å; P259-L274 HydrophobicContact CG-CD1 3.82Å |
| 260 | S | 96.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 3% | 0.028 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -89.2 | 1.9 | 176.1 | 74.8 | 0 | 0 | 0 | 0 | 114.6 | A42 G43 D257 F258 K262 | A42-S260 CarbonylContact C-O 3.59Å; A42-S260 VanDerWaalsContact CA-O 3.24Å; A42-S260 WeakPolarHBondContact CA-O 3.3Å; G43-S260 PolarHBondContact N-O 3.36Å; G43-S260 CarbonylContact O-C 3.55Å; G43-S260 WeakPolarHBondContact O-CA 3.49Å; G43-S260 VanDerWaalsContact O-CB 3.31Å; G43-S260 WeakPolarHBondContact O-CB 3.39Å; D257-S260 WeakPolarHBondContact O-CB 3.08Å; D257-S260 PolarHBondContact O-N 2.88Å; D257-S260 PolarHBondContact O-OG 3.11Å; F258-S260 PolarHBondContact O-N 3.33Å; S260-K262 PolarHBondContact O-N 3.43Å |
| 261 | Y | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 130.5 | -179.8 | 176.3 | -92.2 | 0 | 0 | 0 | 112.7 | W40 N45 F258 G264 W303 G304 F309 K310 | W40-Y261 HydrophobicContact CB-CD2 4.5Å; W40-Y261 HydrophobicContact CB-CE2 4.34Å; W40-Y261 HydrophobicContact CE3-CD2 4.01Å; N45-Y261 PolarHBondContact ND2-O 2.79Å; F258-Y261 VanDerWaalsContact O-CB 3.22Å; F258-Y261 WeakPolarHBondContact O-CB 3.49Å; F258-Y261 PolarHBondContact O-N 3.18Å; Y261-G264 VanDerWaalsContact CE2-O 3.24Å; Y261-G264 WeakPolarHBondContact CE2-O 3.02Å; Y261-G264 PolarHBondContact OH-O 3.5Å; Y261-W303 AromaticContact CD1-CH2 3.85Å; Y261-W303 HydrophobicContact CD1-CH2 3.85Å; Y261-W303 HydrophobicContact CD1-CZ2 4.22Å; Y261-W303 HydrophobicContact CD1-CZ3 4.32Å; Y261-W303 HydrophobicContact CG-CH2 4.38Å; Y261-W303 HydrophobicContact CG-CZ2 4.48Å; Y261-G304 WeakPolarHBondContact O-CA 3.25Å; Y261-F309 HydrophobicContact CD1-CB 3.73Å; Y261-F309 HydrophobicContact CE1-CB 3.32Å; Y261-F309 HydrophobicContact CE2-CB 4.39Å; Y261-F309 HydrophobicContact CG-CB 4.43Å; Y261-K310 PolarHBondContact OH-N 3.05Å; Y261-K310 VanDerWaalsContact OH-N 3.16Å |
| 262 | K | 97.9 | Very high | 97.5 | Very high | 61 Ų | 61 | 24.2 Ų | 24.2 | 27% | 0.265 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -39 | 171.9 | -75.7 | -60 | -167.8 | -177.3 | 0 | 114 | K41 N45 S260 G304 | K41-K262 PolarHBondContact O-N 3.47Å; N45-K262 WeakPolarHBondContact OD1-CD 3.46Å; N45-K262 WeakPolarHBondContact OD1-CE 3.33Å; N45-K262 PolarHBondContact OD1-NZ 3.44Å; S260-K262 PolarHBondContact O-N 3.43Å; K262-G304 CarbonylContact O-C 3.54Å |
| 263 | S | 98.6 | Very high | 97.4 | Very high | 51 Ų | 51 | 26.8 Ų | 26.8 | 36% | 0.357 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 167.3 | -179.1 | 67.3 | 0 | 0 | 0 | 0 | 112.1 | W40 K41 | W40-S263 CarbonylContact C-O 3.55Å; W40-S263 WeakPolarHBondContact CA-O 3.47Å; W40-S263 VanDerWaalsContact CB-O 3.25Å; W40-S263 WeakPolarHBondContact CB-O 3.33Å; K41-S263 PolarHBondContact N-O 3.23Å |
| 264 | G | 98.7 | Very high | 97.3 | Very high | 8 Ų | 8 | 26.2 Ų | 26.2 | 8% | 0.082 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.4 | -166.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T39 Y261 E287 | T39-G264 CarbonylContact O-C 3.26Å; T39-G264 WeakPolarHBondContact O-CA 3.18Å; Y261-G264 VanDerWaalsContact CE2-O 3.24Å; Y261-G264 WeakPolarHBondContact CE2-O 3.02Å; Y261-G264 PolarHBondContact OH-O 3.5Å; G264-E287 WeakPolarHBondContact CA-OE1 3.49Å |
| 265 | V | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 109.4 | -178.6 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | T39 Q267 E287 V290 Y292 K310 L312 | T39-V265 CarbonylContact C-O 3.32Å; T39-V265 WeakPolarHBondContact CB-O 3.35Å; T39-V265 PolarHBondContact O-N 2.81Å; T39-V265 PolarHBondContact OG1-O 3.4Å; V265-Q267 PolarHBondContact O-N 2.99Å; V265-E287 HydrophobicContact CG2-CB 3.96Å; V265-V290 HydrophobicContact CB-CG1 4.02Å; V265-V290 HydrophobicContact CG1-CG1 3.85Å; V265-V290 HydrophobicContact CG2-CB 4.35Å; V265-V290 HydrophobicContact CG2-CG1 4.25Å; V265-Y292 HydrophobicContact CG2-CD1 3.92Å; V265-Y292 HydrophobicContact CG2-CG 4.23Å; V265-K310 HydrophobicContact CG2-CB 4.38Å; V265-L312 HydrophobicContact CG1-CB 4.41Å |
| 266 | Y | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 131.4 | -179.2 | 171.8 | -107 | 0 | 0 | 0 | 111.7 | W40 D257 F258 H268 K310 I311 L312 | W40-Y266 HydrophobicContact CD2-CD2 4.1Å; W40-Y266 AromaticContact CE2-CD2 3.76Å; W40-Y266 HydrophobicContact CE3-CD2 4.48Å; W40-Y266 HydrophobicContact CH2-CD2 4.21Å; W40-Y266 HydrophobicContact CH2-CE2 4.21Å; W40-Y266 AromaticContact CZ2-CD2 3.82Å; W40-Y266 HydrophobicContact CZ2-CD2 3.82Å; W40-Y266 AromaticContact CZ2-CE2 3.81Å; W40-Y266 HydrophobicContact CZ2-CE2 3.81Å; D257-Y266 PolarHBondContact OD1-OH 2.76Å; D257-Y266 VanDerWaalsContact OD1-OH 3.1Å; F258-Y266 HydrophobicContact CB-CE1 4.39Å; F258-Y266 HydrophobicContact CB-CE2 3.9Å; F258-Y266 AromaticContact CD2-CD1 3.65Å; F258-Y266 HydrophobicContact CD2-CD1 3.65Å; F258-Y266 AromaticContact CD2-CD2 3.81Å; F258-Y266 HydrophobicContact CD2-CD2 3.81Å; F258-Y266 AromaticContact CD2-CE1 3.64Å; F258-Y266 HydrophobicContact CD2-CE1 3.64Å; F258-Y266 AromaticContact CD2-CE2 3.79Å; F258-Y266 HydrophobicContact CD2-CE2 3.79Å; F258-Y266 AromaticContact CD2-CG 3.74Å; F258-Y266 HydrophobicContact CD2-CG 3.74Å; F258-Y266 AromaticContact CD2-CZ 3.7Å; F258-Y266 HydrophobicContact CE2-CD1 4.04Å; F258-Y266 HydrophobicContact CE2-CE1 4.38Å; F258-Y266 HydrophobicContact CE2-CG 4.15Å; F258-Y266 HydrophobicContact CG-CE1 4.4Å; F258-Y266 HydrophobicContact CG-CE2 4.37Å; Y266-H268 WeakPolarHBondContact OH-CB 3.21Å; Y266-K310 VanDerWaalsContact CB-O 3.32Å; Y266-K310 WeakPolarHBondContact CB-O 3.28Å; Y266-K310 PolarHBondContact N-O 2.92Å; Y266-I311 HydrophobicContact CD1-CD1 3.88Å; Y266-I311 HydrophobicContact CD1-CG1 3.95Å; Y266-I311 HydrophobicContact CE1-CD1 4.29Å; Y266-L312 PolarHBondContact O-N 3.01Å |
| 267 | Q | 98.5 | Very high | 97.3 | Very high | 59 Ų | 59 | 23.9 Ų | 23.9 | 28% | 0.276 | 16% | 0.155 | S | C | . | . | trans | -137.5 | 129.7 | 168.6 | -71.7 | -176 | 73.8 | 0 | 0 | 107.8 | T39 W40 V265 V269 L312 | T39-Q267 VanDerWaalsContact CG2-NE2 3.31Å; T39-Q267 PolarHBondContact OG1-NE2 2.96Å; W40-Q267 PolarHBondContact NE1-O 3.49Å; V265-Q267 PolarHBondContact O-N 2.99Å; Q267-V269 PolarHBondContact O-N 3.31Å; Q267-L312 HydrophobicContact CG-CB 3.95Å; Q267-L312 HydrophobicContact CG-CD2 4.03Å; Q267-L312 HydrophobicContact CG-CG 4.46Å | ||
| 268 | H | 98.2 | Very high | 97.3 | Very high | 48 Ų | 48 | 23.9 Ų | 23.9 | 22% | 0.222 | 16% | 0.155 | C | C | . | . | trans | -66.4 | 130.8 | -179.1 | 170.3 | 57 | 0 | 0 | 0 | 109.8 | Y255 D257 Y266 S270 G271 H317 | Y255-H268 VanDerWaalsContact CB-ND1 3.27Å; Y255-H268 WeakPolarHBondContact CB-ND1 3.45Å; Y255-H268 AromaticContact CD1-CD2 3.95Å; Y255-H268 AromaticContact CD1-CE1 3.33Å; Y255-H268 WeakPolarHBondContact CD1-CE1 3.39Å; Y255-H268 AromaticContact CD1-ND1 3.78Å; Y255-H268 AromaticContact CD1-NE2 3.47Å; Y255-H268 WeakPolarHBondContact CD1-NE2 3.41Å; Y255-H268 HydrophobicContact CD2-CB 4.32Å; Y255-H268 AromaticContact CD2-CG 3.92Å; Y255-H268 AromaticContact CD2-ND1 4Å; Y255-H268 AromaticContact CE1-NE2 3.78Å; Y255-H268 AromaticContact CG-CE1 3.48Å; Y255-H268 VanDerWaalsContact CG-CE1 3.48Å; Y255-H268 AromaticContact CG-CG 3.77Å; Y255-H268 AromaticContact CG-ND1 3.42Å; Y255-H268 AromaticContact CG-NE2 3.92Å; D257-H268 IonicContact OD1-CE1 3.93Å; D257-H268 IonicContact OD1-ND1 2.76Å; D257-H268 PolarHBondContact OD1-ND1 2.87Å; D257-H268 IonicContact OD2-CE1 3.3Å; D257-H268 IonicContact OD2-ND1 2.86Å; D257-H268 PolarHBondContact OD2-ND1 2.93Å; D257-H268 VanDerWaalsContact OD2-ND1 3.16Å; Y266-H268 WeakPolarHBondContact OH-CB 3.21Å; H268-S270 VanDerWaalsContact CE1-C 3.43Å; H268-S270 PolarHBondContact CE1-O 3.31Å; H268-S270 PolarHBondContact ND1-O 3.32Å; H268-G271 PolarHBondContact CE1-O 3.04Å; H268-G271 VanDerWaalsContact CE1-O 3.28Å; H268-H317 PolarHBondContact N-CE1 3Å; H268-H317 PolarHBondContact N-NE2 3.27Å | ||
| 269 | V | 96.8 | Very high | 97.4 | Very high | 34 Ų | 34 | 24 Ų | 24 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | trans | -133.4 | -23.2 | -178.2 | -67.4 | 0 | 0 | 0 | 0 | 113.9 | I33 L36 T38 W40 D257 Q267 | I33-V269 HydrophobicContact CG1-CG2 4.04Å; I33-V269 HydrophobicContact CG2-CG2 4.32Å; L36-V269 HydrophobicContact CD1-CB 3.8Å; L36-V269 HydrophobicContact CD1-CG1 4.3Å; L36-V269 HydrophobicContact CD1-CG2 3.87Å; T38-V269 HydrophobicContact CG2-CG1 3.65Å; W40-V269 HydrophobicContact CZ2-CG2 4.24Å; D257-V269 PolarHBondContact OD2-N 3.31Å; Q267-V269 PolarHBondContact O-N 3.31Å | ||
| 270 | S | 93.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 24 Ų | 24 | 10% | 0.098 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -152.2 | 154.3 | -176.4 | -159.9 | 0 | 0 | 0 | 0 | 113.2 | D257 H268 | D257-S270 VanDerWaalsContact CB-O 3.29Å; D257-S270 WeakPolarHBondContact CB-O 3.44Å; D257-S270 PolarHBondContact OD2-N 3.14Å; H268-S270 VanDerWaalsContact CE1-C 3.43Å; H268-S270 PolarHBondContact CE1-O 3.31Å; H268-S270 PolarHBondContact ND1-O 3.32Å |
| 271 | G | 94.3 | Very high | 97.6 | Very high | 26 Ų | 26 | 23.9 Ų | 23.9 | 27% | 0.268 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 90.1 | 165.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | E256 H268 | E256-G271 VanDerWaalsContact OE2-CA 3.24Å; E256-G271 WeakPolarHBondContact OE2-CA 3.48Å; H268-G271 PolarHBondContact CE1-O 3.04Å; H268-G271 VanDerWaalsContact CE1-O 3.28Å |
| 272 | T | 95.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 23.9 Ų | 23.9 | 53% | 0.534 | 15% | 0.154 | S | C | . | . | trans | -90.1 | 166.1 | 179.7 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | Y255 E256 | Y255-T272 WeakPolarHBondContact CA-O 3.4Å; E256-T272 VanDerWaalsContact CD-OG1 3.22Å; E256-T272 WeakPolarHBondContact CG-O 3.26Å; E256-T272 PolarHBondContact N-O 3Å; E256-T272 PolarHBondContact OE1-OG1 2.6Å; E256-T272 PolarHBondContact OE2-N 2.91Å; E256-T272 PolarHBondContact OE2-OG1 3.03Å | ||
| 273 | A | 96.7 | Very high | 97.6 | Very high | 54 Ų | 54 | 21 Ų | 21 | 45% | 0.446 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 131.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T253 Y255 | T253-A273 HydrophobicContact CG2-CB 3.84Å; Y255-A273 HydrophobicContact CD1-CB 4.26Å; Y255-A273 HydrophobicContact CE1-CB 4.06Å |
| 274 | L | 95.6 | Very high | 97.6 | Very high | 21 Ų | 21 | 18.6 Ų | 18.6 | 11% | 0.11 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -40.8 | 175.2 | -69.1 | -176.8 | 0 | 0 | 0 | 111.9 | Y51 V54 K55 V254 E256 P259 | Y51-L274 HydrophobicContact CE2-CD2 3.85Å; Y51-L274 VanDerWaalsContact OH-CD2 3.27Å; Y51-L274 WeakPolarHBondContact OH-CD2 3.45Å; V54-L274 HydrophobicContact CG1-CD1 4.05Å; K55-L274 HydrophobicContact CG-CD2 3.9Å; V254-L274 HydrophobicContact CB-CB 4.47Å; V254-L274 HydrophobicContact CG1-CB 4.28Å; V254-L274 HydrophobicContact CG1-CD1 4.01Å; V254-L274 PolarHBondContact O-N 2.96Å; E256-L274 HydrophobicContact CG-CD1 4.47Å; E256-L274 HydrophobicContact CG-CD2 3.55Å; E256-L274 HydrophobicContact CG-CG 3.93Å; P259-L274 HydrophobicContact CG-CD1 3.82Å |
| 275 | G | 96.6 | Very high | 97.7 | Very high | 25 Ų | 25 | 18.2 Ų | 18.2 | 26% | 0.258 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | -176.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V254 | V254-G275 PolarHBondContact N-O 2.94Å |
| 276 | G | 98.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 8% | 0.082 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 143.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | C58 G59 T60 F252 | C58-G276 CarbonylContact C-O 3.5Å; C58-G276 VanDerWaalsContact CA-O 3.26Å; C58-G276 WeakPolarHBondContact CA-O 3.38Å; C58-G276 WeakPolarHBondContact CB-O 3.46Å; G59-G276 PolarHBondContact N-O 3.09Å; T60-G276 PolarHBondContact N-O 3.27Å; T60-G276 WeakPolarHBondContact O-CA 3.43Å; F252-G276 WeakPolarHBondContact O-CA 3.33Å |
| 277 | H | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.3 | 177 | -172.1 | 57.2 | 0 | 0 | 0 | 110.1 | L57 Q101 C107 A251 F252 V254 N297 W299 | L57-H277 PolarHBondContact O-ND1 3.35Å; Q101-H277 PolarHBondContact OE1-CE1 3.01Å; C107-H277 WeakPolarHBondContact CB-CE1 3.2Å; C107-H277 VanDerWaalsContact CB-ND1 3.31Å; C107-H277 WeakPolarHBondContact CB-ND1 3.31Å; C107-H277 PolarHBondContact SG-ND1 3.1Å; C107-H277 VanDerWaalsContact SG-ND1 3.42Å; A251-H277 VanDerWaalsContact CA-O 3.28Å; A251-H277 WeakPolarHBondContact CA-O 3.4Å; F252-H277 WeakPolarHBondContact CD1-O 3.15Å; F252-H277 HydrophobicContact CE1-CB 4.25Å; F252-H277 AromaticContact CE1-CD2 3.94Å; F252-H277 PolarHBondContact N-O 3.2Å; F252-H277 PolarHBondContact O-N 3.36Å; V254-H277 HydrophobicContact CG2-CB 3.35Å; H277-N297 PolarHBondContact NE2-OD1 3.21Å; H277-W299 AromaticContact CD2-CZ2 3.94Å; H277-W299 AromaticContact CE1-CE2 3.71Å; H277-W299 AromaticContact CE1-CZ2 3.8Å; H277-W299 AromaticContact CE1-NE1 3.27Å; H277-W299 PolarHBondContact CE1-NE1 3.12Å; H277-W299 VanDerWaalsContact CE1-NE1 3.27Å; H277-W299 AromaticContact NE2-CE2 3.69Å; H277-W299 AromaticContact NE2-CZ2 3.71Å; H277-W299 AromaticContact NE2-NE1 3.62Å |
| 278 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 144.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T60 P153 E249 G250 A251 | T60-A278 HydrophobicContact CG2-CB 4.37Å; T60-A278 WeakPolarHBondContact OG1-CB 3.23Å; T60-A278 PolarHBondContact OG1-N 3.14Å; P153-A278 HydrophobicContact CG-CB 4.05Å; E249-A278 HydrophobicContact CG-CB 4.5Å; G250-A278 CarbonylContact O-C 3.52Å; G250-A278 VanDerWaalsContact O-CA 3.28Å; G250-A278 WeakPolarHBondContact O-CA 3.37Å; A251-A278 HydrophobicContact CB-CB 4.44Å |
| 279 | I | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 168.9 | -175.5 | 52.3 | 69.5 | 0 | 0 | 0 | 110.2 | E249 G250 F252 I281 C295 F309 I320 | E249-I279 WeakPolarHBondContact CA-O 3.5Å; G250-I279 PolarHBondContact N-O 3.37Å; G250-I279 PolarHBondContact O-N 3.36Å; F252-I279 HydrophobicContact CD1-CG1 4.08Å; F252-I279 HydrophobicContact CE1-CG1 4.07Å; F252-I279 HydrophobicContact CE1-CG2 3.84Å; I279-I281 HydrophobicContact CD1-CD1 4.07Å; I279-I281 HydrophobicContact CD1-CG1 3.29Å; I279-C295 HydrophobicContact CD1-CB 4.3Å; I279-F309 HydrophobicContact CB-CE1 4.47Å; I279-F309 HydrophobicContact CB-CZ 4.46Å; I279-F309 HydrophobicContact CG1-CZ 4.24Å; I279-F309 HydrophobicContact CG2-CE1 3.98Å; I279-F309 HydrophobicContact CG2-CZ 4.06Å; I279-I320 HydrophobicContact CD1-CD1 4.03Å; I279-I320 HydrophobicContact CG1-CD1 4.23Å |
| 280 | K | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.1 | 169.7 | 176.3 | 173 | 64.1 | 175.4 | 0 | 110.3 | E114 A115 D118 P247 V248 C295 A296 | E114-K280 HydrophobicContact CB-CD 3.84Å; A115-K280 HydrophobicContact CB-CD 4.41Å; A115-K280 HydrophobicContact CB-CG 4.49Å; D118-K280 IonicContact OD1-NZ 2.83Å; D118-K280 VanDerWaalsContact OD2-CD 3.23Å; D118-K280 WeakPolarHBondContact OD2-CD 3.39Å; D118-K280 WeakPolarHBondContact OD2-CE 3.34Å; D118-K280 IonicContact OD2-NZ 2.72Å; D118-K280 PolarHBondContact OD2-NZ 2.77Å; P247-K280 HydrophobicContact CB-CD 3.85Å; P247-K280 HydrophobicContact CB-CG 3.73Å; P247-K280 HydrophobicContact CG-CD 4.43Å; V248-K280 WeakPolarHBondContact O-CA 3.46Å; K280-C295 CarbonylContact O-C 3.51Å; K280-C295 VanDerWaalsContact O-CA 3.28Å; K280-C295 WeakPolarHBondContact O-CA 3.45Å; K280-A296 HydrophobicContact CB-CB 4.34Å; K280-A296 PolarHBondContact N-O 2.87Å; K280-A296 PolarHBondContact O-N 3.15Å |
| 281 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.8 | 172.3 | -47.8 | 179.9 | 0 | 0 | 0 | 108.4 | I242 P247 V248 I279 W293 I320 I324 | I242-I281 HydrophobicContact CD1-CB 4.19Å; I242-I281 HydrophobicContact CD1-CG2 3.69Å; P247-I281 VanDerWaalsContact CA-O 3.23Å; P247-I281 WeakPolarHBondContact CA-O 3.44Å; P247-I281 WeakPolarHBondContact CB-O 3.42Å; V248-I281 HydrophobicContact CG2-CB 3.87Å; V248-I281 HydrophobicContact CG2-CD1 4.39Å; V248-I281 HydrophobicContact CG2-CG1 4.36Å; V248-I281 PolarHBondContact N-O 3.26Å; V248-I281 PolarHBondContact O-N 3.06Å; I279-I281 HydrophobicContact CD1-CD1 4.07Å; I279-I281 HydrophobicContact CD1-CG1 3.29Å; I281-W293 HydrophobicContact CG2-CB 4.18Å; I281-W293 HydrophobicContact CG2-CD2 4.28Å; I281-W293 HydrophobicContact CG2-CE3 3.88Å; I281-W293 HydrophobicContact CG2-CG 4.45Å; I281-I320 HydrophobicContact CD1-CD1 4.49Å; I281-I320 HydrophobicContact CD1-CG1 4.42Å; I281-I324 HydrophobicContact CD1-CD1 3.58Å |
| 282 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 3.2 | -172.5 | 68.8 | 149.4 | 0 | 0 | 0 | 114.1 | S85 R86 P247 L294 A296 Y308 | S85-L282 VanDerWaalsContact CB-O 3.29Å; S85-L282 WeakPolarHBondContact CB-O 3.49Å; S85-L282 PolarHBondContact N-O 3.49Å; S85-L282 PolarHBondContact OG-O 3.15Å; R86-L282 HydrophobicContact CG-CD1 3.83Å; P247-L282 HydrophobicContact CB-CB 4.1Å; P247-L282 HydrophobicContact CG-CB 3.83Å; L282-L294 HydrophobicContact CD1-CD2 4.28Å; L282-L294 HydrophobicContact CD2-CG 4.14Å; L282-L294 WeakPolarHBondContact CD2-O 3.13Å; L282-L294 HydrophobicContact CG-CD2 4.13Å; L282-L294 HydrophobicContact CG-CG 4.12Å; L282-L294 PolarHBondContact N-O 2.03Å; L282-A296 HydrophobicContact CD2-CB 3.92Å; L282-Y308 HydrophobicContact CD1-CE1 4.14Å; L282-Y308 HydrophobicContact CD2-CD1 4.31Å; L282-Y308 HydrophobicContact CD2-CE1 4.27Å |
| 283 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | -178.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F83 L294 | F83-G283 CarbonylContact O-C 3.41Å; F83-G283 WeakPolarHBondContact O-CA 3.24Å; G283-L294 PolarHBondContact N-O 2.98Å; G283-L294 PolarHBondContact O-N 2.77Å |
| 284 | W | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 164.6 | 175.1 | 63.9 | 87.4 | 0 | 0 | 0 | 110.5 | L79 P80 A81 E82 F83 K239 I242 Y243 Y292 W293 | L79-W284 HydrophobicContact CB-CZ2 4.44Å; P80-W284 HydrophobicContact CG-CZ2 4.04Å; P80-W284 PolarHBondContact O-NE1 3.02Å; A81-W284 VanDerWaalsContact O-CD1 3.24Å; A81-W284 PolarHBondContact O-NE1 2.97Å; E82-W284 CarbonylContact C-O 3.55Å; E82-W284 WeakPolarHBondContact CA-O 3.5Å; F83-W284 HydrophobicContact CB-CD2 3.72Å; F83-W284 VanDerWaalsContact CB-CE2 3.45Å; F83-W284 HydrophobicContact CB-CE3 3.81Å; F83-W284 HydrophobicContact CB-CH2 3.39Å; F83-W284 HydrophobicContact CB-CZ2 3.32Å; F83-W284 HydrophobicContact CB-CZ3 3.65Å; F83-W284 HydrophobicContact CD1-CE3 4.05Å; F83-W284 AromaticContact CD1-CH2 3.69Å; F83-W284 HydrophobicContact CD1-CH2 3.69Å; F83-W284 HydrophobicContact CD1-CZ2 4.5Å; F83-W284 AromaticContact CD1-CZ3 3.43Å; F83-W284 HydrophobicContact CD1-CZ3 3.43Å; F83-W284 VanDerWaalsContact CD1-CZ3 3.43Å; F83-W284 HydrophobicContact CD2-CH2 4.14Å; F83-W284 HydrophobicContact CE1-CZ3 4.27Å; F83-W284 HydrophobicContact CG-CE3 4.28Å; F83-W284 AromaticContact CG-CH2 3.46Å; F83-W284 HydrophobicContact CG-CH2 3.46Å; F83-W284 VanDerWaalsContact CG-CH2 3.46Å; F83-W284 AromaticContact CG-CZ2 3.9Å; F83-W284 HydrophobicContact CG-CZ2 3.9Å; F83-W284 AromaticContact CG-CZ3 3.69Å; F83-W284 HydrophobicContact CG-CZ3 3.69Å; F83-W284 PolarHBondContact N-O 3.1Å; F83-W284 PolarHBondContact O-N 3.45Å; K239-W284 HydrophobicContact CB-CD2 4.38Å; K239-W284 HydrophobicContact CB-CE3 4.22Å; K239-W284 HydrophobicContact CB-CH2 4.07Å; K239-W284 HydrophobicContact CB-CZ2 4.19Å; K239-W284 HydrophobicContact CB-CZ3 4.08Å; K239-W284 HydrophobicContact CD-CD2 4.41Å; K239-W284 HydrophobicContact CG-CD2 3.84Å; K239-W284 HydrophobicContact CG-CE3 3.95Å; K239-W284 HydrophobicContact CG-CG 4.29Å; K239-W284 HydrophobicContact CG-CZ2 4.42Å; K239-W284 HydrophobicContact CG-CZ3 4.32Å; I242-W284 HydrophobicContact CB-CZ3 4.02Å; I242-W284 HydrophobicContact CG2-CZ3 3.92Å; Y243-W284 HydrophobicContact CD2-CH2 4.15Å; W284-Y292 VanDerWaalsContact CA-O 3.26Å; W284-Y292 WeakPolarHBondContact CA-O 3.23Å; W284-Y292 WeakPolarHBondContact CB-O 3.32Å; W284-W293 HydrophobicContact CB-CE3 3.85Å; W284-W293 HydrophobicContact CB-CZ3 4.01Å; W284-W293 HydrophobicContact CE3-CZ3 4.14Å |
| 285 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.3 | -161.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P291 Y292 R313 | G285-P291 WeakPolarHBondContact O-CA 3.28Å; G285-Y292 PolarHBondContact N-O 3.34Å; G285-Y292 VanDerWaalsContact N-O 3.1Å; G285-Y292 WeakPolarHBondContact O-CD1 3.21Å; G285-Y292 PolarHBondContact O-N 2.86Å; G285-R313 PolarHBondContact O-NH2 2.74Å |
| 286 | E | 98.6 | Very high | 98.6 | Very high | 111 Ų | 111 | 23.5 Ų | 23.5 | 52% | 0.519 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 134.1 | 174.5 | -171.2 | 179.6 | 112.3 | 0 | 0 | 109.6 | G289 V290 | E286-G289 VanDerWaalsContact OE1-CA 3.29Å; E286-G289 WeakPolarHBondContact OE1-CA 3.46Å; E286-V290 WeakPolarHBondContact CA-O 3.38Å |
| 287 | E | 98.3 | Very high | 98.7 | Very high | 55 Ų | 55 | 23.1 Ų | 23.1 | 26% | 0.257 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 116.9 | 175.9 | -172.9 | 177.8 | 123.9 | 0 | 0 | 108.9 | G264 V265 G289 V290 Y292 K310 | G264-E287 WeakPolarHBondContact CA-OE1 3.49Å; V265-E287 HydrophobicContact CG2-CB 3.96Å; E287-G289 VanDerWaalsContact C-N 3.28Å; E287-G289 PolarHBondContact O-N 2.89Å; E287-V290 PolarHBondContact N-O 3.21Å; E287-V290 WeakPolarHBondContact O-CB 3.06Å; E287-V290 PolarHBondContact O-N 2.79Å; E287-Y292 HydrophobicContact CB-CD1 4.04Å; E287-Y292 HydrophobicContact CB-CE1 3.92Å; E287-K310 IonicContact OE2-NZ 2.68Å; E287-K310 PolarHBondContact OE2-NZ 2.02Å |
| 288 | N | 97 | Very high | 98.6 | Very high | 155 Ų | 155 | 23.3 Ų | 23.3 | 83% | 0.829 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 41 | -178.7 | -57.8 | -54.7 | 0 | 0 | 0 | 113.8 | V290 | N288-V290 VanDerWaalsContact C-N 3.33Š|
| 289 | G | 97.6 | Very high | 98.5 | Very high | 54 Ų | 54 | 23.3 Ų | 23.3 | 56% | 0.557 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E286 E287 | E286-G289 VanDerWaalsContact OE1-CA 3.29Å; E286-G289 WeakPolarHBondContact OE1-CA 3.46Å; E287-G289 VanDerWaalsContact C-N 3.28Å; E287-G289 PolarHBondContact O-N 2.89Å |
| 290 | V | 98.6 | Very high | 98.2 | Very high | 27 Ų | 27 | 23.4 Ų | 23.4 | 16% | 0.164 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 114.6 | -175.8 | -172.5 | 0 | 0 | 0 | 0 | 110 | T39 V265 E286 E287 N288 L312 | T39-V290 HydrophobicContact CG2-CB 4.43Å; T39-V290 HydrophobicContact CG2-CG1 4.23Å; T39-V290 HydrophobicContact CG2-CG2 3.61Å; V265-V290 HydrophobicContact CB-CG1 4.02Å; V265-V290 HydrophobicContact CG1-CG1 3.85Å; V265-V290 HydrophobicContact CG2-CB 4.35Å; V265-V290 HydrophobicContact CG2-CG1 4.25Å; E286-V290 WeakPolarHBondContact CA-O 3.38Å; E287-V290 PolarHBondContact N-O 3.21Å; E287-V290 WeakPolarHBondContact O-CB 3.06Å; E287-V290 PolarHBondContact O-N 2.79Å; N288-V290 VanDerWaalsContact C-N 3.33Å; V290-L312 HydrophobicContact CG1-CD1 3.87Å |
| 291 | P | 98.8 | Very high | 98 | Very high | 39 Ų | 39 | 26.4 Ų | 26.4 | 25% | 0.253 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 140 | 178.6 | 28.2 | -34.4 | 0 | 0 | 0 | 111.2 | G285 L312 R313 | G285-P291 WeakPolarHBondContact O-CA 3.28Å; P291-L312 HydrophobicContact CG-CD1 4.45Å; P291-R313 HydrophobicContact CB-CB 4.4Å; P291-R313 VanDerWaalsContact CB-CZ 3.5Å; P291-R313 PolarHBondContact O-N 3.46Å; P291-R313 VanDerWaalsContact O-N 3.09Å |
| 292 | Y | 98.9 | Very high | 97.6 | Very high | 24 Ų | 24 | 29.7 Ų | 29.7 | 9% | 0.094 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 157.9 | 179 | 67.3 | -100.9 | 0 | 0 | 0 | 114 | V265 W284 G285 E287 L294 K310 I311 R313 | V265-Y292 HydrophobicContact CG2-CD1 3.92Å; V265-Y292 HydrophobicContact CG2-CG 4.23Å; W284-Y292 VanDerWaalsContact CA-O 3.26Å; W284-Y292 WeakPolarHBondContact CA-O 3.23Å; W284-Y292 WeakPolarHBondContact CB-O 3.32Å; G285-Y292 PolarHBondContact N-O 3.34Å; G285-Y292 VanDerWaalsContact N-O 3.1Å; G285-Y292 WeakPolarHBondContact O-CD1 3.21Å; G285-Y292 PolarHBondContact O-N 2.86Å; E287-Y292 HydrophobicContact CB-CD1 4.04Å; E287-Y292 HydrophobicContact CB-CE1 3.92Å; Y292-L294 HydrophobicContact CE2-CB 4.23Å; Y292-K310 HydrophobicContact CD1-CD 3.98Å; Y292-K310 HydrophobicContact CD2-CB 3.94Å; Y292-K310 HydrophobicContact CD2-CD 3.86Å; Y292-K310 HydrophobicContact CD2-CG 3.77Å; Y292-K310 HydrophobicContact CE1-CD 3.9Å; Y292-K310 HydrophobicContact CE2-CD 3.82Å; Y292-K310 HydrophobicContact CE2-CG 4.01Å; Y292-K310 HydrophobicContact CG-CB 3.95Å; Y292-K310 HydrophobicContact CG-CD 3.96Å; Y292-K310 HydrophobicContact CG-CG 4.13Å; Y292-I311 CarbonylContact C-O 3.54Å; Y292-I311 WeakPolarHBondContact CA-O 3.03Å; Y292-I311 WeakPolarHBondContact CB-O 3.37Å; Y292-R313 VanDerWaalsContact C-CB 3.49Å; Y292-R313 PolarHBondContact O-NE 2.03Å |
| 293 | W | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 137.4 | 157.2 | -66.1 | 116.7 | 0 | 0 | 0 | 109.8 | E235 I238 K239 I242 I281 W284 K310 I311 R313 E321 | E235-W293 HydrophobicContact CG-CH2 4.31Å; E235-W293 HydrophobicContact CG-CZ2 4Å; I238-W293 HydrophobicContact CB-CH2 3.71Å; I238-W293 HydrophobicContact CB-CZ2 4.07Å; I238-W293 HydrophobicContact CD1-CZ2 4.31Å; I238-W293 HydrophobicContact CG2-CH2 3.45Å; I238-W293 VanDerWaalsContact CG2-CH2 3.45Å; I238-W293 HydrophobicContact CG2-CZ2 3.9Å; I238-W293 HydrophobicContact CG2-CZ3 3.96Å; K239-W293 HydrophobicContact CD-CH2 4.38Å; K239-W293 HydrophobicContact CG-CH2 3.52Å; K239-W293 HydrophobicContact CG-CZ3 3.75Å; I242-W293 HydrophobicContact CD1-CZ3 4.1Å; I281-W293 HydrophobicContact CG2-CB 4.18Å; I281-W293 HydrophobicContact CG2-CD2 4.28Å; I281-W293 HydrophobicContact CG2-CE3 3.88Å; I281-W293 HydrophobicContact CG2-CG 4.45Å; W284-W293 HydrophobicContact CB-CE3 3.85Å; W284-W293 HydrophobicContact CB-CZ3 4.01Å; W284-W293 HydrophobicContact CE3-CZ3 4.14Å; W293-K310 VanDerWaalsContact O-CA 3.27Å; W293-K310 WeakPolarHBondContact O-CA 3.4Å; W293-I311 HydrophobicContact CB-CG2 3.98Å; W293-I311 PolarHBondContact N-O 3.3Å; W293-I311 PolarHBondContact O-N 3.07Å; W293-I311 VanDerWaalsContact O-N 3.17Å; W293-R313 HydrophobicContact CD2-CB 4.14Å; W293-R313 HydrophobicContact CD2-CG 3.96Å; W293-R313 VanDerWaalsContact CE2-CD 3.47Å; W293-R313 VanDerWaalsContact CE2-CG 3.44Å; W293-R313 HydrophobicContact CG-CB 3.95Å; W293-R313 HydrophobicContact CG-CG 4.31Å; W293-R313 HydrophobicContact CH2-CG 4.49Å; W293-R313 HydrophobicContact CZ2-CG 3.74Å; W293-E321 HydrophobicContact CZ2-CG 4.34Å; W293-E321 PolarHBondContact NE1-OE1 2.84Å |
| 294 | L | 98.9 | Very high | 97.4 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 7% | 0.068 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 118.9 | 171 | 175 | 64.5 | 0 | 0 | 0 | 108.5 | D84 L282 G283 Y292 | D84-L294 HydrophobicContact CB-CD2 4.44Å; D84-L294 WeakPolarHBondContact OD2-CD2 3.49Å; L282-L294 HydrophobicContact CD1-CD2 4.28Å; L282-L294 HydrophobicContact CD2-CG 4.14Å; L282-L294 WeakPolarHBondContact CD2-O 3.13Å; L282-L294 HydrophobicContact CG-CD2 4.13Å; L282-L294 HydrophobicContact CG-CG 4.12Å; L282-L294 PolarHBondContact N-O 2.03Å; G283-L294 PolarHBondContact N-O 2.98Å; G283-L294 PolarHBondContact O-N 2.77Å; Y292-L294 HydrophobicContact CE2-CB 4.23Å |
| 295 | C | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.2 | -175 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | I279 K280 Y308 F309 | I279-C295 HydrophobicContact CD1-CB 4.3Å; K280-C295 CarbonylContact O-C 3.51Å; K280-C295 VanDerWaalsContact O-CA 3.28Å; K280-C295 WeakPolarHBondContact O-CA 3.45Å; C295-Y308 WeakPolarHBondContact O-CA 3.49Å; C295-F309 HydrophobicContact CB-CD1 3.83Å; C295-F309 HydrophobicContact CB-CD2 4.31Å; C295-F309 HydrophobicContact CB-CE1 3.35Å; C295-F309 HydrophobicContact CB-CE2 3.88Å; C295-F309 HydrophobicContact CB-CG 4.3Å; C295-F309 HydrophobicContact CB-CZ 3.38Å; C295-F309 PolarHBondContact N-O 2.89Å; C295-F309 PolarHBondContact O-N 2.91Å |
| 296 | A | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | I98 K280 L282 Y308 | I98-A296 HydrophobicContact CD1-CB 3.65Å; K280-A296 HydrophobicContact CB-CB 4.34Å; K280-A296 PolarHBondContact N-O 2.87Å; K280-A296 PolarHBondContact O-N 3.15Å; L282-A296 HydrophobicContact CD2-CB 3.92Å; A296-Y308 HydrophobicContact CB-CD1 4Å; A296-Y308 HydrophobicContact CB-CE1 3.9Å |
| 297 | N | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | trans | -99.8 | 165.6 | 176.8 | -159.4 | 5.3 | 0 | 0 | 0 | 110.7 | H277 W299 W303 G307 F309 | H277-N297 PolarHBondContact NE2-OD1 3.21Å; N297-W299 VanDerWaalsContact ND2-CD2 3.27Å; N297-W303 HydrophobicContact CB-CE3 3.9Å; N297-W303 HydrophobicContact CB-CZ3 3.72Å; N297-W303 VanDerWaalsContact ND2-CE3 3.26Å; N297-W303 WeakPolarHBondContact ND2-CH2 3.19Å; N297-W303 WeakPolarHBondContact ND2-CZ3 3.43Å; N297-G307 VanDerWaalsContact CB-O 3.31Å; N297-G307 WeakPolarHBondContact CB-O 2.9Å; N297-G307 PolarHBondContact N-O 3.35Å; N297-F309 HydrophobicContact CB-CD1 4.16Å; N297-F309 HydrophobicContact CB-CE1 4.17Å | ||
| 298 | S | 97.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -108.7 | 26.4 | -179.1 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | R99 D100 Q101 | R99-S298 CarbonylContact O-C 3.47Å; R99-S298 VanDerWaalsContact O-C 3.32Å; D100-S298 WeakPolarHBondContact CA-O 3.16Å; Q101-S298 WeakPolarHBondContact CG-O 3.18Å; Q101-S298 PolarHBondContact N-O 3.18Å; Q101-S298 PolarHBondContact OE1-OG 3.27Å |
| 299 | W | 95.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -116.5 | 41.8 | -178.6 | -54.7 | -18.9 | 0 | 0 | 0 | 111.3 | F46 L57 F258 H277 N297 W303 | F46-W299 HydrophobicContact CE2-CE3 4.21Å; F46-W299 HydrophobicContact CE2-CZ3 4.31Å; F46-W299 HydrophobicContact CZ-CD2 4.42Å; F46-W299 AromaticContact CZ-CE3 3.9Å; F46-W299 HydrophobicContact CZ-CE3 3.9Å; F46-W299 HydrophobicContact CZ-CZ3 4.34Å; L57-W299 HydrophobicContact CB-CZ2 3.94Å; L57-W299 HydrophobicContact CD1-CD2 4.08Å; L57-W299 HydrophobicContact CD1-CG 4.25Å; L57-W299 HydrophobicContact CD1-CZ2 4.43Å; F258-W299 AromaticContact CD1-CH2 3.96Å; F258-W299 HydrophobicContact CD1-CH2 3.96Å; F258-W299 HydrophobicContact CD1-CZ3 4.04Å; F258-W299 AromaticContact CE1-CH2 3.88Å; F258-W299 HydrophobicContact CE1-CH2 3.88Å; F258-W299 AromaticContact CE1-CZ3 3.84Å; F258-W299 HydrophobicContact CE1-CZ3 3.84Å; H277-W299 AromaticContact CD2-CZ2 3.94Å; H277-W299 AromaticContact CE1-CE2 3.71Å; H277-W299 AromaticContact CE1-CZ2 3.8Å; H277-W299 AromaticContact CE1-NE1 3.27Å; H277-W299 PolarHBondContact CE1-NE1 3.12Å; H277-W299 VanDerWaalsContact CE1-NE1 3.27Å; H277-W299 AromaticContact NE2-CE2 3.69Å; H277-W299 AromaticContact NE2-CZ2 3.71Å; H277-W299 AromaticContact NE2-NE1 3.62Å; N297-W299 VanDerWaalsContact ND2-CD2 3.27Å; W299-W303 HydrophobicContact CB-CB 4.26Å; W299-W303 HydrophobicContact CB-CG 4.33Å; W299-W303 AromaticContact CE3-CD1 3.69Å; W299-W303 AromaticContact CE3-CD2 3.94Å; W299-W303 HydrophobicContact CE3-CD2 3.94Å; W299-W303 AromaticContact CE3-CE2 3.6Å; W299-W303 HydrophobicContact CE3-CG 4.02Å; W299-W303 HydrophobicContact CE3-CZ2 4.15Å; W299-W303 AromaticContact CE3-NE1 3.45Å; W299-W303 AromaticContact CZ3-CE2 3.77Å; W299-W303 AromaticContact CZ3-CZ2 3.95Å; W299-W303 HydrophobicContact CZ3-CZ2 3.95Å; W299-W303 AromaticContact CZ3-NE1 3.62Å; W299-W303 VanDerWaalsContact O-CB 3.31Å; W299-W303 WeakPolarHBondContact O-CB 3.44Å |
| 300 | N | 93.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 177.2 | -176.5 | 66.5 | 61.7 | 0 | 0 | 0 | 116.4 | I98 R99 D100 H187 R193 D302 G307 | I98-N300 VanDerWaalsContact CG2-C 3.5Å; R99-N300 PolarHBondContact O-N 2.65Å; R99-N300 VanDerWaalsContact O-N 3.08Å; D100-N300 HydrophobicContact CB-CB 4.01Å; D100-N300 WeakPolarHBondContact OD2-CB 3.38Å; D100-N300 PolarHBondContact OD2-ND2 3.01Å; H187-N300 PolarHBondContact CD2-ND2 2.91Å; H187-N300 PolarHBondContact NE2-ND2 2.95Å; H187-N300 VanDerWaalsContact NE2-ND2 3.12Å; R193-N300 PolarHBondContact NH1-ND2 3.34Å; R193-N300 PolarHBondContact NH1-OD1 3.28Å; N300-D302 VanDerWaalsContact C-N 3.34Å; N300-D302 WeakPolarHBondContact OD1-CB 3.33Å; N300-D302 PolarHBondContact OD1-N 3.07Å; N300-G307 VanDerWaalsContact O-CA 3.22Å; N300-G307 WeakPolarHBondContact O-CA 3.25Å |
| 301 | T | 94.3 | Very high | 97.4 | Very high | 64 Ų | 64 | 22.4 Ų | 22.4 | 39% | 0.393 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -15.4 | -176.6 | 51.8 | 0 | 0 | 0 | 0 | 114 | I98 W303 N306 G307 | I98-T301 HydrophobicContact CB-CG2 3.77Å; I98-T301 HydrophobicContact CG1-CG2 4.34Å; I98-T301 HydrophobicContact CG2-CG2 3.95Å; T301-W303 VanDerWaalsContact C-N 3.34Å; T301-N306 CarbonylContact O-C 3.46Å; T301-N306 VanDerWaalsContact O-C 3.29Å; T301-N306 WeakPolarHBondContact O-CA 3Å; T301-G307 PolarHBondContact O-N 3.4Å |
| 302 | D | 91.6 | Very high | 97.4 | Very high | 69 Ų | 69 | 21.7 Ų | 21.7 | 37% | 0.369 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -20.6 | -176.3 | -54.1 | -53.4 | 0 | 0 | 0 | 111.6 | R193 N300 | R193-D302 IonicContact CZ-OD2 3.37Å; R193-D302 IonicContact NH1-OD2 2.85Å; R193-D302 PolarHBondContact NH1-OD2 3.33Å; R193-D302 IonicContact NH2-OD2 3.41Å; R193-D302 PolarHBondContact NH2-OD2 3.34Å; N300-D302 VanDerWaalsContact C-N 3.34Å; N300-D302 WeakPolarHBondContact OD1-CB 3.33Å; N300-D302 PolarHBondContact OD1-N 3.07Å |
| 303 | W | 95.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -77.2 | 141 | 173.2 | -177.3 | 92.2 | 0 | 0 | 0 | 112 | N45 F46 F258 Y261 N297 W299 T301 D305 G307 F309 | N45-W303 VanDerWaalsContact CB-CD1 3.47Å; N45-W303 HydrophobicContact CB-CG 4.4Å; N45-W303 VanDerWaalsContact CG-CD1 3.45Å; F46-W303 AromaticContact CE2-CD1 3.64Å; F46-W303 AromaticContact CE2-NE1 3.8Å; F46-W303 AromaticContact CZ-CD1 3.96Å; F258-W303 HydrophobicContact CD1-CZ2 4.16Å; F258-W303 AromaticContact CE1-CH2 3.75Å; F258-W303 HydrophobicContact CE1-CH2 3.75Å; F258-W303 AromaticContact CE1-CZ2 3.52Å; F258-W303 HydrophobicContact CE1-CZ2 3.52Å; F258-W303 HydrophobicContact CE2-CH2 4.12Å; F258-W303 HydrophobicContact CE2-CZ2 4.31Å; F258-W303 AromaticContact CZ-CH2 3.4Å; F258-W303 HydrophobicContact CZ-CH2 3.4Å; F258-W303 AromaticContact CZ-CZ2 3.63Å; F258-W303 HydrophobicContact CZ-CZ2 3.63Å; Y261-W303 AromaticContact CD1-CH2 3.85Å; Y261-W303 HydrophobicContact CD1-CH2 3.85Å; Y261-W303 HydrophobicContact CD1-CZ2 4.22Å; Y261-W303 HydrophobicContact CD1-CZ3 4.32Å; Y261-W303 HydrophobicContact CG-CH2 4.38Å; Y261-W303 HydrophobicContact CG-CZ2 4.48Å; N297-W303 HydrophobicContact CB-CE3 3.9Å; N297-W303 HydrophobicContact CB-CZ3 3.72Å; N297-W303 VanDerWaalsContact ND2-CE3 3.26Å; N297-W303 WeakPolarHBondContact ND2-CH2 3.19Å; N297-W303 WeakPolarHBondContact ND2-CZ3 3.43Å; W299-W303 HydrophobicContact CB-CB 4.26Å; W299-W303 HydrophobicContact CB-CG 4.33Å; W299-W303 AromaticContact CE3-CD1 3.69Å; W299-W303 AromaticContact CE3-CD2 3.94Å; W299-W303 HydrophobicContact CE3-CD2 3.94Å; W299-W303 AromaticContact CE3-CE2 3.6Å; W299-W303 HydrophobicContact CE3-CG 4.02Å; W299-W303 HydrophobicContact CE3-CZ2 4.15Å; W299-W303 AromaticContact CE3-NE1 3.45Å; W299-W303 AromaticContact CZ3-CE2 3.77Å; W299-W303 AromaticContact CZ3-CZ2 3.95Å; W299-W303 HydrophobicContact CZ3-CZ2 3.95Å; W299-W303 AromaticContact CZ3-NE1 3.62Å; W299-W303 VanDerWaalsContact O-CB 3.31Å; W299-W303 WeakPolarHBondContact O-CB 3.44Å; T301-W303 VanDerWaalsContact C-N 3.34Å; W303-D305 PolarHBondContact O-N 3.14Å; W303-G307 VanDerWaalsContact O-CA 3.3Å; W303-G307 WeakPolarHBondContact O-CA 3.29Å; W303-G307 PolarHBondContact O-N 2.91Å; W303-F309 HydrophobicContact CH2-CB 3.77Å; W303-F309 AromaticContact CH2-CD1 3.85Å; W303-F309 HydrophobicContact CH2-CD1 3.85Å; W303-F309 AromaticContact CH2-CG 3.92Å; W303-F309 HydrophobicContact CH2-CG 3.92Å; W303-F309 HydrophobicContact CZ3-CB 3.86Å; W303-F309 AromaticContact CZ3-CD1 3.78Å; W303-F309 HydrophobicContact CZ3-CD1 3.78Å; W303-F309 HydrophobicContact CZ3-CG 4.13Å |
| 304 | G | 96.9 | Very high | 97.3 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 11% | 0.113 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -134.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N45 Y261 K262 | N45-G304 PolarHBondContact OD1-N 2.62Å; N45-G304 VanDerWaalsContact OD1-N 3.15Å; Y261-G304 WeakPolarHBondContact O-CA 3.25Å; K262-G304 CarbonylContact O-C 3.54Å |
| 305 | D | 97.9 | Very high | 97.3 | Very high | 71 Ų | 71 | 26.4 Ų | 26.4 | 38% | 0.38 | 16% | 0.157 | S | C | . | . | B | Isolated β-bridge | trans | -101.2 | 82.5 | 175.4 | -177.6 | 12.1 | 0 | 0 | 0 | 109.4 | W303 G307 Y308 | W303-D305 PolarHBondContact O-N 3.14Å; D305-G307 VanDerWaalsContact C-N 3.26Å; D305-G307 PolarHBondContact O-N 3.18Å; D305-Y308 PolarHBondContact N-O 3.04Å; D305-Y308 WeakPolarHBondContact O-CB 3.49Å; D305-Y308 PolarHBondContact O-N 3.27Å |
| 306 | N | 97.1 | Very high | 97.2 | Very high | 109 Ų | 109 | 28.8 Ų | 28.8 | 58% | 0.583 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 36.5 | -178.3 | -56.2 | -77.3 | 0 | 0 | 0 | 113.3 | T301 Y308 | T301-N306 CarbonylContact O-C 3.46Å; T301-N306 VanDerWaalsContact O-C 3.29Å; T301-N306 WeakPolarHBondContact O-CA 3Å; N306-Y308 VanDerWaalsContact C-N 3.31Å; N306-Y308 WeakPolarHBondContact O-CD2 3.35Å |
| 307 | G | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -6.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | N297 N300 T301 W303 D305 | N297-G307 VanDerWaalsContact CB-O 3.31Å; N297-G307 WeakPolarHBondContact CB-O 2.9Å; N297-G307 PolarHBondContact N-O 3.35Å; N300-G307 VanDerWaalsContact O-CA 3.22Å; N300-G307 WeakPolarHBondContact O-CA 3.25Å; T301-G307 PolarHBondContact O-N 3.4Å; W303-G307 VanDerWaalsContact O-CA 3.3Å; W303-G307 WeakPolarHBondContact O-CA 3.29Å; W303-G307 PolarHBondContact O-N 2.91Å; D305-G307 VanDerWaalsContact C-N 3.26Å; D305-G307 PolarHBondContact O-N 3.18Å |
| 308 | Y | 98.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 8% | 0.082 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 162.3 | 175.2 | -58.7 | -88.2 | 0 | 0 | 0 | 111.6 | R86 R96 I98 L282 C295 A296 D305 N306 | R86-Y308 VanDerWaalsContact NH1-CE2 3.32Å; R86-Y308 PolarHBondContact NH1-OH 3.36Å; R96-Y308 PolarHBondContact O-OH 2.77Å; I98-Y308 HydrophobicContact CD1-CD1 4.08Å; I98-Y308 HydrophobicContact CD1-CD2 4.2Å; I98-Y308 HydrophobicContact CD1-CE1 3.71Å; I98-Y308 HydrophobicContact CD1-CE2 3.84Å; I98-Y308 HydrophobicContact CD1-CG 4.31Å; I98-Y308 HydrophobicContact CG1-CD2 4.36Å; I98-Y308 HydrophobicContact CG1-CE2 3.81Å; L282-Y308 HydrophobicContact CD1-CE1 4.14Å; L282-Y308 HydrophobicContact CD2-CD1 4.31Å; L282-Y308 HydrophobicContact CD2-CE1 4.27Å; C295-Y308 WeakPolarHBondContact O-CA 3.49Å; A296-Y308 HydrophobicContact CB-CD1 4Å; A296-Y308 HydrophobicContact CB-CE1 3.9Å; D305-Y308 PolarHBondContact N-O 3.04Å; D305-Y308 WeakPolarHBondContact O-CB 3.49Å; D305-Y308 PolarHBondContact O-N 3.27Å; N306-Y308 VanDerWaalsContact C-N 3.31Å; N306-Y308 WeakPolarHBondContact O-CD2 3.35Å |
| 309 | F | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 162.6 | 166.7 | 68.6 | -77.5 | 0 | 0 | 0 | 111.3 | F252 F258 Y261 I279 C295 N297 W303 I311 | F252-F309 AromaticContact CE1-CZ 3.98Å; F252-F309 HydrophobicContact CE1-CZ 3.98Å; F252-F309 HydrophobicContact CZ-CE2 4.31Å; F252-F309 HydrophobicContact CZ-CZ 4.05Å; F258-F309 AromaticContact CE2-CD2 3.7Å; F258-F309 HydrophobicContact CE2-CD2 3.7Å; F258-F309 AromaticContact CE2-CE2 3.85Å; F258-F309 HydrophobicContact CE2-CE2 3.85Å; F258-F309 HydrophobicContact CE2-CG 4.21Å; F258-F309 HydrophobicContact CE2-CZ 4.47Å; F258-F309 HydrophobicContact CZ-CD1 4.19Å; F258-F309 AromaticContact CZ-CD2 3.83Å; F258-F309 HydrophobicContact CZ-CD2 3.83Å; F258-F309 HydrophobicContact CZ-CE1 4.16Å; F258-F309 AromaticContact CZ-CE2 3.8Å; F258-F309 HydrophobicContact CZ-CE2 3.8Å; F258-F309 HydrophobicContact CZ-CG 4.01Å; F258-F309 AromaticContact CZ-CZ 3.96Å; F258-F309 HydrophobicContact CZ-CZ 3.96Å; Y261-F309 HydrophobicContact CD1-CB 3.73Å; Y261-F309 HydrophobicContact CE1-CB 3.32Å; Y261-F309 HydrophobicContact CE2-CB 4.39Å; Y261-F309 HydrophobicContact CG-CB 4.43Å; I279-F309 HydrophobicContact CB-CE1 4.47Å; I279-F309 HydrophobicContact CB-CZ 4.46Å; I279-F309 HydrophobicContact CG1-CZ 4.24Å; I279-F309 HydrophobicContact CG2-CE1 3.98Å; I279-F309 HydrophobicContact CG2-CZ 4.06Å; C295-F309 HydrophobicContact CB-CD1 3.83Å; C295-F309 HydrophobicContact CB-CD2 4.31Å; C295-F309 HydrophobicContact CB-CE1 3.35Å; C295-F309 HydrophobicContact CB-CE2 3.88Å; C295-F309 HydrophobicContact CB-CG 4.3Å; C295-F309 HydrophobicContact CB-CZ 3.38Å; C295-F309 PolarHBondContact N-O 2.89Å; C295-F309 PolarHBondContact O-N 2.91Å; N297-F309 HydrophobicContact CB-CD1 4.16Å; N297-F309 HydrophobicContact CB-CE1 4.17Å; W303-F309 HydrophobicContact CH2-CB 3.77Å; W303-F309 AromaticContact CH2-CD1 3.85Å; W303-F309 HydrophobicContact CH2-CD1 3.85Å; W303-F309 AromaticContact CH2-CG 3.92Å; W303-F309 HydrophobicContact CH2-CG 3.92Å; W303-F309 HydrophobicContact CZ3-CB 3.86Å; W303-F309 AromaticContact CZ3-CD1 3.78Å; W303-F309 HydrophobicContact CZ3-CD1 3.78Å; W303-F309 HydrophobicContact CZ3-CG 4.13Å; F309-I311 HydrophobicContact CD2-CB 4.22Å; F309-I311 HydrophobicContact CD2-CG2 4.5Å; F309-I311 HydrophobicContact CE2-CB 3.99Å; F309-I311 HydrophobicContact CE2-CG2 3.97Å |
| 310 | K | 98.9 | Very high | 97.4 | Very high | 37 Ų | 37 | 31.9 Ų | 31.9 | 16% | 0.161 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 137.4 | 171.1 | -56.6 | 174.5 | -172.1 | -176.2 | 0 | 109.2 | Y261 V265 Y266 E287 Y292 W293 | Y261-K310 PolarHBondContact OH-N 3.05Å; Y261-K310 VanDerWaalsContact OH-N 3.16Å; V265-K310 HydrophobicContact CG2-CB 4.38Å; Y266-K310 VanDerWaalsContact CB-O 3.32Å; Y266-K310 WeakPolarHBondContact CB-O 3.28Å; Y266-K310 PolarHBondContact N-O 2.92Å; E287-K310 IonicContact OE2-NZ 2.68Å; E287-K310 PolarHBondContact OE2-NZ 2.02Å; Y292-K310 HydrophobicContact CD1-CD 3.98Å; Y292-K310 HydrophobicContact CD2-CB 3.94Å; Y292-K310 HydrophobicContact CD2-CD 3.86Å; Y292-K310 HydrophobicContact CD2-CG 3.77Å; Y292-K310 HydrophobicContact CE1-CD 3.9Å; Y292-K310 HydrophobicContact CE2-CD 3.82Å; Y292-K310 HydrophobicContact CE2-CG 4.01Å; Y292-K310 HydrophobicContact CG-CB 3.95Å; Y292-K310 HydrophobicContact CG-CD 3.96Å; Y292-K310 HydrophobicContact CG-CG 4.13Å; W293-K310 VanDerWaalsContact O-CA 3.27Å; W293-K310 WeakPolarHBondContact O-CA 3.4Å |
| 311 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.1 | 178.1 | -176.9 | 165.7 | 0 | 0 | 0 | 110.1 | F252 Y266 Y292 W293 F309 R313 I320 | F252-I311 HydrophobicContact CD2-CD1 4.06Å; F252-I311 HydrophobicContact CE2-CD1 4.37Å; Y266-I311 HydrophobicContact CD1-CD1 3.88Å; Y266-I311 HydrophobicContact CD1-CG1 3.95Å; Y266-I311 HydrophobicContact CE1-CD1 4.29Å; Y292-I311 CarbonylContact C-O 3.54Å; Y292-I311 WeakPolarHBondContact CA-O 3.03Å; Y292-I311 WeakPolarHBondContact CB-O 3.37Å; W293-I311 HydrophobicContact CB-CG2 3.98Å; W293-I311 PolarHBondContact N-O 3.3Å; W293-I311 PolarHBondContact O-N 3.07Å; W293-I311 VanDerWaalsContact O-N 3.17Å; F309-I311 HydrophobicContact CD2-CB 4.22Å; F309-I311 HydrophobicContact CD2-CG2 4.5Å; F309-I311 HydrophobicContact CE2-CB 3.99Å; F309-I311 HydrophobicContact CE2-CG2 3.97Å; I311-R313 PolarHBondContact O-N 2.8Å; I311-I320 HydrophobicContact CD1-CB 4.25Å; I311-I320 HydrophobicContact CD1-CD1 4.46Å; I311-I320 HydrophobicContact CD1-CG1 4.34Å; I311-I320 HydrophobicContact CG2-CD1 4.26Å; I311-I320 HydrophobicContact CG2-CG1 3.88Å |
| 312 | L | 98.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 32.2 Ų | 32.2 | 13% | 0.131 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.1 | 126.4 | -178.6 | -178.8 | 67.2 | 0 | 0 | 0 | 111.6 | V265 Y266 Q267 V290 P291 S315 H317 | V265-L312 HydrophobicContact CG1-CB 4.41Å; Y266-L312 PolarHBondContact O-N 3.01Å; Q267-L312 HydrophobicContact CG-CB 3.95Å; Q267-L312 HydrophobicContact CG-CD2 4.03Å; Q267-L312 HydrophobicContact CG-CG 4.46Å; V290-L312 HydrophobicContact CG1-CD1 3.87Å; P291-L312 HydrophobicContact CG-CD1 4.45Å; L312-S315 WeakPolarHBondContact CD2-OG 3.38Å; L312-H317 HydrophobicContact CB-CB 3.9Å; L312-H317 HydrophobicContact CD2-CB 4.16Å; L312-H317 HydrophobicContact CG-CB 4.29Å |
| 313 | R | 98.7 | Very high | 98.1 | Very high | 22 Ų | 22 | 30.8 Ų | 30.8 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | trans | -103.9 | 148.9 | 178.6 | 167.4 | 173.1 | 57 | 72.2 | 0.9 | 111.4 | E235 G285 P291 Y292 W293 I311 | E235-R313 VanDerWaalsContact CD-NH1 3.31Å; E235-R313 HydrophobicContact CG-CG 3.91Å; E235-R313 IonicContact OE1-CZ 3.69Å; E235-R313 IonicContact OE1-NH1 2.65Å; E235-R313 PolarHBondContact OE1-NH1 2.8Å; E235-R313 IonicContact OE2-NH1 3.55Å; G285-R313 PolarHBondContact O-NH2 2.74Å; P291-R313 HydrophobicContact CB-CB 4.4Å; P291-R313 VanDerWaalsContact CB-CZ 3.5Å; P291-R313 PolarHBondContact O-N 3.46Å; P291-R313 VanDerWaalsContact O-N 3.09Å; Y292-R313 VanDerWaalsContact C-CB 3.49Å; Y292-R313 PolarHBondContact O-NE 2.03Å; W293-R313 HydrophobicContact CD2-CB 4.14Å; W293-R313 HydrophobicContact CD2-CG 3.96Å; W293-R313 VanDerWaalsContact CE2-CD 3.47Å; W293-R313 VanDerWaalsContact CE2-CG 3.44Å; W293-R313 HydrophobicContact CG-CB 3.95Å; W293-R313 HydrophobicContact CG-CG 4.31Å; W293-R313 HydrophobicContact CH2-CG 4.49Å; W293-R313 HydrophobicContact CZ2-CG 3.74Å; I311-R313 PolarHBondContact O-N 2.8Å | ||
| 314 | G | 97.8 | Very high | 98.2 | Very high | 43 Ų | 43 | 30.9 Ų | 30.9 | 44% | 0.443 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 90.1 | 11.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114 | E235 E321 | E235-G314 VanDerWaalsContact OE2-CA 3.3Å; E235-G314 WeakPolarHBondContact OE2-CA 3.02Å; G314-E321 PolarHBondContact N-OE1 3.41Å |
| 315 | S | 97.4 | Very high | 98.3 | Very high | 70 Ų | 70 | 30.8 Ų | 30.8 | 49% | 0.49 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -138 | 13.2 | -179.5 | 74.8 | 0 | 0 | 0 | 0 | 113.2 | L312 H317 | L312-S315 WeakPolarHBondContact CD2-OG 3.38Å; S315-H317 PolarHBondContact O-N 3.33Å; S315-H317 VanDerWaalsContact O-N 3.15Å |
| 316 | D | 98.4 | Very high | 98.4 | Very high | 50 Ų | 50 | 27.4 Ų | 27.4 | 27% | 0.267 | 17% | 0.166 | S | C | . | . | trans | 45.7 | 42.9 | -171.1 | -166.6 | 26.3 | 0 | 0 | 0 | 112.6 | C318 G319 I320 E321 S322 | D316-C318 PolarHBondContact O-N 3.04Å; D316-G319 PolarHBondContact O-N 2.83Å; D316-G319 WeakPolarHBondContact OD1-CA 3.5Å; D316-I320 PolarHBondContact OD1-N 2.88Å; D316-E321 WeakPolarHBondContact CA-OE2 3.39Å; D316-E321 HydrophobicContact CB-CB 4.26Å; D316-E321 PolarHBondContact N-OE2 2.95Å; D316-E321 WeakPolarHBondContact OD1-CA 3.23Å; D316-E321 WeakPolarHBondContact OD1-CB 3.37Å; D316-E321 PolarHBondContact OD1-N 2.99Å; D316-S322 PolarHBondContact OD1-N 3.18Å; D316-S322 VanDerWaalsContact OD1-N 3.12Å; D316-S322 PolarHBondContact OD2-OG 3.07Å | ||
| 317 | H | 98.6 | Very high | 98.4 | Very high | 33 Ų | 33 | 22.2 Ų | 22.2 | 15% | 0.153 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -62 | 126.5 | -172.4 | -173.7 | 67.9 | 0 | 0 | 0 | 110.4 | H268 L312 S315 G319 I320 | H268-H317 PolarHBondContact N-CE1 3Å; H268-H317 PolarHBondContact N-NE2 3.27Å; L312-H317 HydrophobicContact CB-CB 3.9Å; L312-H317 HydrophobicContact CD2-CB 4.16Å; L312-H317 HydrophobicContact CG-CB 4.29Å; S315-H317 PolarHBondContact O-N 3.33Å; S315-H317 VanDerWaalsContact O-N 3.15Å; H317-G319 PolarHBondContact O-N 2.93Å; H317-G319 VanDerWaalsContact O-N 3.09Å; H317-I320 WeakPolarHBondContact O-CB 3.03Å; H317-I320 VanDerWaalsContact O-CG2 3.22Å; H317-I320 WeakPolarHBondContact O-CG2 3.5Å; H317-I320 PolarHBondContact O-N 3.34Å; H317-I320 VanDerWaalsContact O-N 3.13Å |
| 318 | C | 98.4 | Very high | 98.5 | Very high | 18 Ų | 18 | 23.8 Ų | 23.8 | 12% | 0.122 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | 56.6 | 14.9 | -171.4 | -61.1 | 0 | 0 | 0 | 0 | 115.1 | F252 T253 Y255 D316 | F252-C318 HydrophobicContact CB-CB 4.33Å; F252-C318 HydrophobicContact CD2-CB 4.07Å; T253-C318 PolarHBondContact N-O 3.32Å; T253-C318 WeakPolarHBondContact O-CB 3.24Å; Y255-C318 HydrophobicContact CE2-CB 4.38Å; D316-C318 PolarHBondContact O-N 3.04Å |
| 319 | G | 98.5 | Very high | 98.4 | Very high | 21 Ų | 21 | 22.9 Ų | 22.9 | 22% | 0.216 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | 82.7 | 13.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | A251 D316 H317 E321 S322 | A251-G319 VanDerWaalsContact O-O 3.1Å; D316-G319 PolarHBondContact O-N 2.83Å; D316-G319 WeakPolarHBondContact OD1-CA 3.5Å; H317-G319 PolarHBondContact O-N 2.93Å; H317-G319 VanDerWaalsContact O-N 3.09Å; G319-E321 PolarHBondContact O-N 3.35Å; G319-E321 VanDerWaalsContact O-N 3.12Å; G319-S322 WeakPolarHBondContact O-CB 3.07Å; G319-S322 PolarHBondContact O-N 3.42Å |
| 320 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22 | -173.6 | -168.1 | 66 | 0 | 0 | 0 | 114.4 | F252 I279 I281 I311 D316 H317 I324 | F252-I320 HydrophobicContact CB-CB 4.14Å; F252-I320 HydrophobicContact CB-CD1 3.76Å; F252-I320 HydrophobicContact CD1-CD1 3.85Å; F252-I320 HydrophobicContact CG-CD1 3.93Å; I279-I320 HydrophobicContact CD1-CD1 4.03Å; I279-I320 HydrophobicContact CG1-CD1 4.23Å; I281-I320 HydrophobicContact CD1-CD1 4.49Å; I281-I320 HydrophobicContact CD1-CG1 4.42Å; I311-I320 HydrophobicContact CD1-CB 4.25Å; I311-I320 HydrophobicContact CD1-CD1 4.46Å; I311-I320 HydrophobicContact CD1-CG1 4.34Å; I311-I320 HydrophobicContact CG2-CD1 4.26Å; I311-I320 HydrophobicContact CG2-CG1 3.88Å; D316-I320 PolarHBondContact OD1-N 2.88Å; H317-I320 WeakPolarHBondContact O-CB 3.03Å; H317-I320 VanDerWaalsContact O-CG2 3.22Å; H317-I320 WeakPolarHBondContact O-CG2 3.5Å; H317-I320 PolarHBondContact O-N 3.34Å; H317-I320 VanDerWaalsContact O-N 3.13Å; I320-I324 VanDerWaalsContact O-CD1 3.25Å; I320-I324 WeakPolarHBondContact O-CD1 3.44Å |
| 321 | E | 98.8 | Very high | 98 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -9.6 | -179.6 | -70.4 | 153.4 | -164.9 | 0 | 0 | 112.2 | S233 I238 W293 G314 D316 G319 | S233-E321 WeakPolarHBondContact CA-O 3.46Å; S233-E321 WeakPolarHBondContact CB-O 3.47Å; S233-E321 PolarHBondContact OG-O 2.69Å; I238-E321 HydrophobicContact CD1-CB 3.78Å; I238-E321 HydrophobicContact CD1-CG 3.75Å; W293-E321 HydrophobicContact CZ2-CG 4.34Å; W293-E321 PolarHBondContact NE1-OE1 2.84Å; G314-E321 PolarHBondContact N-OE1 3.41Å; D316-E321 WeakPolarHBondContact CA-OE2 3.39Å; D316-E321 HydrophobicContact CB-CB 4.26Å; D316-E321 PolarHBondContact N-OE2 2.95Å; D316-E321 WeakPolarHBondContact OD1-CA 3.23Å; D316-E321 WeakPolarHBondContact OD1-CB 3.37Å; D316-E321 PolarHBondContact OD1-N 2.99Å; G319-E321 PolarHBondContact O-N 3.35Å; G319-E321 VanDerWaalsContact O-N 3.12Å |
| 322 | S | 97.8 | Very high | 97.4 | Very high | 63 Ų | 63 | 30.2 Ų | 30.2 | 44% | 0.441 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -31.7 | -173.2 | -88.1 | 0 | 0 | 0 | 0 | 114.8 | D316 G319 | D316-S322 PolarHBondContact OD1-N 3.18Å; D316-S322 VanDerWaalsContact OD1-N 3.12Å; D316-S322 PolarHBondContact OD2-OG 3.07Å; G319-S322 WeakPolarHBondContact O-CB 3.07Å; G319-S322 PolarHBondContact O-N 3.42Å |
| 323 | E | 97.3 | Very high | 96.5 | Very high | 39 Ų | 39 | 32.3 Ų | 32.3 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -126.8 | 58.9 | -171.4 | -67.8 | -170 | -134 | 0 | 0 | 111.8 | L62 K63 G250 A251 | L62-E323 WeakPolarHBondContact CA-OE1 3.48Å; L62-E323 WeakPolarHBondContact CB-OE1 3.46Å; K63-E323 PolarHBondContact N-OE1 3.35Å; K63-E323 PolarHBondContact N-OE2 3.05Å; G250-E323 WeakPolarHBondContact CA-O 3.32Å; A251-E323 HydrophobicContact CB-CB 4.18Å; A251-E323 PolarHBondContact N-O 3.36Å |
| 324 | I | 98.7 | Very high | 95.7 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | trans | -92.2 | 124.6 | 176.5 | -54.3 | -53.8 | 0 | 0 | 0 | 110.7 | G230 V231 I238 V248 E249 I281 I320 | G230-I324 WeakPolarHBondContact CA-O 3.01Å; V231-I324 HydrophobicContact CB-CB 4Å; V231-I324 HydrophobicContact CB-CG2 3.67Å; V231-I324 HydrophobicContact CG1-CG2 4.49Å; V231-I324 HydrophobicContact CG2-CB 4.48Å; V231-I324 HydrophobicContact CG2-CG2 3.68Å; V231-I324 PolarHBondContact N-O 2.9Å; I238-I324 HydrophobicContact CD1-CG1 3.77Å; I238-I324 HydrophobicContact CG1-CG1 4.01Å; V248-I324 HydrophobicContact CB-CG2 3.85Å; V248-I324 HydrophobicContact CG1-CG2 4.26Å; V248-I324 HydrophobicContact CG2-CG2 3.67Å; E249-I324 WeakPolarHBondContact O-CA 3.3Å; I281-I324 HydrophobicContact CD1-CD1 3.58Å; I320-I324 VanDerWaalsContact O-CD1 3.25Å; I320-I324 WeakPolarHBondContact O-CD1 3.44Å | ||
| 325 | V | 98.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.5 | 175.8 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | L67 P153 P154 W157 Y229 E249 | L67-V325 HydrophobicContact CD1-CB 4.39Å; L67-V325 HydrophobicContact CD1-CG1 4.09Å; P153-V325 HydrophobicContact CB-CG2 3.93Å; P154-V325 HydrophobicContact CB-CG1 4.29Å; P154-V325 HydrophobicContact CG-CG1 3.94Å; W157-V325 HydrophobicContact CG-CG2 4.42Å; Y229-V325 WeakPolarHBondContact O-CA 3.43Å; E249-V325 HydrophobicContact CB-CG2 4.08Å; E249-V325 HydrophobicContact CG-CG2 4.36Å; E249-V325 PolarHBondContact N-O 2.85Å; E249-V325 VanDerWaalsContact N-O 3.08Å; E249-V325 PolarHBondContact O-N 3.43Å |
| 326 | A | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | -179.9 | -176 | 0 | 0 | 0 | 0 | 0 | 111 | W157 A228 Y229 V231 E241 V248 | W157-A326 VanDerWaalsContact CZ3-C 3.46Å; A228-A326 WeakPolarHBondContact CA-O 3.4Å; Y229-A326 HydrophobicContact CD2-CB 4.22Å; Y229-A326 HydrophobicContact CE2-CB 3.64Å; Y229-A326 PolarHBondContact N-O 3.03Å; Y229-A326 PolarHBondContact O-N 3.09Å; Y229-A326 VanDerWaalsContact O-O 3.12Å; V231-A326 HydrophobicContact CG2-CB 4.42Å; E241-A326 HydrophobicContact CG-CB 4.42Å; V248-A326 HydrophobicContact CG1-CB 4.01Å |
| 327 | G | 98.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 170 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | R119 W157 T227 | R119-G327 WeakPolarHBondContact CD-O 3.49Å; R119-G327 PolarHBondContact NH1-O 2.88Å; W157-G327 VanDerWaalsContact CE3-N 3.3Å; T227-G327 CarbonylContact O-C 2.98Å; T227-G327 WeakPolarHBondContact O-CA 3.38Å |
| 328 | I | 98.4 | Very high | 90 | Very high | 34 Ų | 34 | 42 Ų | 42 | 17% | 0.174 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.4 | 179.6 | -61 | -63.2 | 0 | 0 | 0 | 108.6 | K226 T227 Y229 N245 | K226-I328 WeakPolarHBondContact CB-O 3.35Å; K226-I328 PolarHBondContact N-O 3.12Å; T227-I328 PolarHBondContact O-N 3.3Å; Y229-I328 HydrophobicContact CE1-CG1 4.01Å; Y229-I328 WeakPolarHBondContact OH-CD1 3.04Å; N245-I328 HydrophobicContact CB-CD1 4.28Å |
| 329 | P | 98.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 149.3 | 179.6 | 26.2 | -33.8 | 0 | 0 | 0 | 111.8 | I120 H123 W160 L331 Y334 | I120-P329 HydrophobicContact CG1-CB 4.13Å; H123-P329 HydrophobicContact CB-CG 3.58Å; W160-P329 HydrophobicContact CH2-CB 4.06Å; W160-P329 HydrophobicContact CZ2-CB 3.9Å; P329-L331 HydrophobicContact CG-CD2 4.3Å; P329-L331 PolarHBondContact O-N 2.69Å; P329-Y334 HydrophobicContact CB-CE2 4.36Å |
| 330 | N | 96.5 | Very high | 89.1 | Confident | 56 Ų | 56 | 44.3 Ų | 44.3 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | trans | -76.4 | 92.8 | 174.6 | -174.6 | -0.3 | 0 | 0 | 0 | 111 | Y224 K226 A332 H333 Y334 | Y224-N330 WeakPolarHBondContact O-CB 3.28Å; Y224-N330 PolarHBondContact O-N 3.28Å; K226-N330 HydrophobicContact CB-CB 4.23Å; N330-A332 PolarHBondContact O-N 3.49Å; N330-A332 VanDerWaalsContact O-N 3.15Å; N330-A332 WeakPolarHBondContact OD1-CB 3.34Å; N330-A332 PolarHBondContact OD1-N 2.76Å; N330-H333 WeakPolarHBondContact O-CB 3.33Å; N330-H333 PolarHBondContact O-N 3.38Å; N330-Y334 WeakPolarHBondContact O-CD2 3.05Å | ||
| 331 | L | 91.3 | Very high | 88.6 | Confident | 67 Ų | 67 | 46.8 Ų | 46.8 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -60.9 | -23.3 | -178.4 | -62.6 | -175.2 | 0 | 0 | 0 | 114.9 | H123 T124 P329 H333 Y334 S335 I338 | H123-L331 HydrophobicContact CB-CD2 4.03Å; T124-L331 HydrophobicContact CG2-CD2 4.15Å; P329-L331 HydrophobicContact CG-CD2 4.3Å; P329-L331 PolarHBondContact O-N 2.69Å; L331-H333 PolarHBondContact O-N 2.93Å; L331-Y334 HydrophobicContact CD2-CD2 4.47Å; L331-Y334 PolarHBondContact O-N 2.94Å; L331-S335 PolarHBondContact O-N 3.28Å; L331-I338 HydrophobicContact CB-CD1 4.4Å; L331-I338 HydrophobicContact CD2-CD1 4.23Å |
| 332 | A | 86.3 | Confident | 88 | Confident | 70 Ų | 70 | 48.9 Ų | 48.9 | 58% | 0.579 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -62.7 | -32.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N330 Y334 S335 | N330-A332 PolarHBondContact O-N 3.49Å; N330-A332 VanDerWaalsContact O-N 3.15Å; N330-A332 WeakPolarHBondContact OD1-CB 3.34Å; N330-A332 PolarHBondContact OD1-N 2.76Å; A332-Y334 PolarHBondContact O-N 2.04Å; A332-S335 WeakPolarHBondContact O-CB 3.1Å; A332-S335 PolarHBondContact O-N 3.14Å; A332-S335 PolarHBondContact O-OG 3.31Å |
| 333 | H | 81.1 | Confident | 87.4 | Confident | 68 Ų | 68 | 48 Ų | 48 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -61.8 | -29.6 | 174.7 | -177.1 | 84.6 | 0 | 0 | 0 | 112.4 | K222 N330 L331 | K222-H333 PolarHBondContact O-CE1 2.85Å; K222-H333 PolarHBondContact O-NE2 2.93Å; N330-H333 WeakPolarHBondContact O-CB 3.33Å; N330-H333 PolarHBondContact O-N 3.38Å; L331-H333 PolarHBondContact O-N 2.93Å |
| 334 | Y | 82.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -99.9 | 8.2 | -177.9 | -54.8 | -78.8 | 0 | 0 | 0 | 113.4 | I120 T124 V128 H223 P329 N330 L331 A332 S336 F337 I338 | I120-Y334 WeakPolarHBondContact CD1-OH 3.25Å; I120-Y334 WeakPolarHBondContact CG1-OH 3.33Å; I120-Y334 HydrophobicContact CG2-CE1 3.96Å; I120-Y334 HydrophobicContact CG2-CE2 4.44Å; T124-Y334 HydrophobicContact CG2-CD2 4.24Å; T124-Y334 HydrophobicContact CG2-CG 4.09Å; V128-Y334 HydrophobicContact CB-CD1 4.32Å; V128-Y334 HydrophobicContact CG1-CD1 4.02Å; V128-Y334 HydrophobicContact CG1-CE1 3.97Å; V128-Y334 HydrophobicContact CG2-CD1 4.04Å; H223-Y334 WeakPolarHBondContact CB-OH 3.29Å; H223-Y334 AromaticContact CE1-CE1 3.71Å; H223-Y334 AromaticContact ND1-CE1 3.26Å; H223-Y334 VanDerWaalsContact ND1-CE1 3.26Å; H223-Y334 WeakPolarHBondContact ND1-CE1 3.28Å; H223-Y334 AromaticContact ND1-CZ 3.41Å; H223-Y334 PolarHBondContact ND1-OH 3.23Å; P329-Y334 HydrophobicContact CB-CE2 4.36Å; N330-Y334 WeakPolarHBondContact O-CD2 3.05Å; L331-Y334 HydrophobicContact CD2-CD2 4.47Å; L331-Y334 PolarHBondContact O-N 2.94Å; A332-Y334 PolarHBondContact O-N 2.04Å; Y334-S336 PolarHBondContact O-N 3.42Å; Y334-S336 VanDerWaalsContact O-N 3.08Å; Y334-F337 WeakPolarHBondContact O-CA 3.32Å; Y334-F337 PolarHBondContact O-N 3.44Å; Y334-I338 WeakPolarHBondContact O-CG1 3.3Å; Y334-I338 PolarHBondContact O-N 3.49Å; Y334-I338 VanDerWaalsContact O-N 3.08Å |
| 335 | S | 77.7 | Confident | 85.9 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 59% | 0.587 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.5 | -173.6 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | L331 A332 F337 | L331-S335 PolarHBondContact O-N 3.28Å; A332-S335 WeakPolarHBondContact O-CB 3.1Å; A332-S335 PolarHBondContact O-N 3.14Å; A332-S335 PolarHBondContact O-OG 3.31Å; S335-F337 VanDerWaalsContact C-N 3.3Å |
| 336 | S | 72.2 | Confident | 84.9 | Confident | 98 Ų | 98 | 55.2 Ų | 55.2 | 69% | 0.685 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -13.2 | 172.2 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | Y334 | Y334-S336 PolarHBondContact O-N 3.42Å; Y334-S336 VanDerWaalsContact O-N 3.08Å |
| 337 | F | 61.3 | Low | 83.7 | Confident | 135 Ų | 135 | 59.8 Ų | 59.8 | 59% | 0.592 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | -13.7 | -177.9 | -55.7 | -81.5 | 0 | 0 | 0 | 113 | V128 Y334 S335 | V128-F337 HydrophobicContact CG2-CB 3.65Å; V128-F337 HydrophobicContact CG2-CG 4.14Å; Y334-F337 WeakPolarHBondContact O-CA 3.32Å; Y334-F337 PolarHBondContact O-N 3.44Å; S335-F337 VanDerWaalsContact C-N 3.3Å |
| 338 | I | 60.9 | Low | 82.4 | Confident | 103 Ų | 103 | 65.2 Ų | 65.2 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | trans | -94.7 | 0 | 179.1 | -61 | 171.8 | 0 | 0 | 0 | 110.4 | T124 K127 L331 Y334 | T124-I338 HydrophobicContact CG2-CD1 4.14Å; T124-I338 HydrophobicContact CG2-CG1 4.44Å; K127-I338 HydrophobicContact CD-CB 4.42Å; K127-I338 HydrophobicContact CD-CG1 4.49Å; K127-I338 HydrophobicContact CD-CG2 4.4Å; K127-I338 PolarHBondContact NZ-OXT 2.75Å; L331-I338 HydrophobicContact CB-CD1 4.4Å; L331-I338 HydrophobicContact CD2-CD1 4.23Å; Y334-I338 WeakPolarHBondContact O-CG1 3.3Å; Y334-I338 PolarHBondContact O-N 3.49Å; Y334-I338 VanDerWaalsContact O-N 3.08Å |
Retrieved 338 of 338 residues in 62 ms
(Link to these results)