| 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 | 45.2 | Very low | 45 | Very low | 242 Ų | 242 | 169.6 Ų | 169.6 | 100% | 1.192 | 85% | 0.852 | S | S | * | * | 0 | 128 | 0 | -77.3 | 170.3 | 175.8 | 0 | 0 | 107.4 | |||||
| 2 | T | 42.5 | Very low | 44.9 | Very low | 144 Ų | 144 | 164.4 Ų | 164.4 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | trans | -70 | 131.4 | -164.4 | 34.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 3 | Y | 36.9 | Very low | 44.7 | Very low | 197 Ų | 197 | 162.9 Ų | 162.9 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | trans | -71 | 129.5 | 164.6 | -83.9 | -95.6 | 0 | 0 | 0 | 109.9 | W5 | Y3-W5 AromaticContact CD1-NE1 3.38Å; Y3-W5 HydrophobicContact CE1-CZ2 4.44Å; Y3-W5 AromaticContact CE1-NE1 3.99Å | ||
| 4 | Q | 46.6 | Very low | 44.5 | Very low | 192 Ų | 192 | 162.9 Ų | 162.9 | 90% | 0.897 | 84% | 0.837 | S | S | * | * | trans | -126.8 | 105.7 | 157.5 | -96.9 | -177.5 | -23.8 | 0 | 0 | 108.2 | ||||
| 5 | W | 44.9 | Very low | 44.5 | Very low | 212 Ų | 212 | 164.3 Ų | 164.3 | 80% | 0.803 | 84% | 0.835 | S | S | * | * | trans | -79.5 | 116.8 | 171 | -73.6 | 90.7 | 0 | 0 | 0 | 108.7 | Y3 | Y3-W5 AromaticContact CD1-NE1 3.38Å; Y3-W5 HydrophobicContact CE1-CZ2 4.44Å; Y3-W5 AromaticContact CE1-NE1 3.99Å | ||
| 6 | L | 44.1 | Very low | 44.4 | Very low | 175 Ų | 175 | 162.2 Ų | 162.2 | 92% | 0.916 | 83% | 0.833 | S | S | * | * | trans | -85.9 | 108.5 | 165 | -83.6 | 160.5 | 0 | 0 | 0 | 108 | G8 | L6-G8 PolarHBondContact O-N 3.38Š| ||
| 7 | I | 49.6 | Very low | 44 | Very low | 151 Ų | 151 | 161.2 Ų | 161.2 | 77% | 0.774 | 83% | 0.829 | S | S | * | * | trans | -74.2 | 112.2 | 174.7 | -65.4 | 169.4 | 0 | 0 | 0 | 107.5 | I9 | I7-I9 PolarHBondContact O-N 3.05Š| ||
| 8 | G | 47.2 | Very low | 43.4 | Very low | 73 Ų | 73 | 158.3 Ų | 158.3 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | -73.8 | 117.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L6 Q10 | L6-G8 PolarHBondContact O-N 3.38Å; G8-Q10 PolarHBondContact O-N 3.43Å | ||
| 9 | I | 48.7 | Very low | 43 | Very low | 151 Ų | 151 | 157.4 Ų | 157.4 | 77% | 0.774 | 82% | 0.819 | S | S | * | * | trans | -80 | 104.6 | 170.3 | -64.3 | 173.8 | 0 | 0 | 0 | 107.3 | I7 I11 | I7-I9 PolarHBondContact O-N 3.05Å; I9-I11 HydrophobicContact CG2-CG1 4.24Å; I9-I11 PolarHBondContact O-N 3.38Å | ||
| 10 | Q | 42.7 | Very low | 42.5 | Very low | 186 Ų | 186 | 155.4 Ų | 155.4 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -81.5 | 103.4 | 172.1 | -148.3 | 173.7 | 3.8 | 0 | 0 | 107.7 | G8 S12 | G8-Q10 PolarHBondContact O-N 3.43Å; Q10-S12 PolarHBondContact O-N 3.11Å; Q10-S12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | I | 46.4 | Very low | 42.3 | Very low | 143 Ų | 143 | 154.8 Ų | 154.8 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | -74.6 | 96.8 | 171.6 | -63.5 | 173.6 | 0 | 0 | 0 | 107.1 | I9 L13 | I9-I11 HydrophobicContact CG2-CG1 4.24Å; I9-I11 PolarHBondContact O-N 3.38Å; I11-L13 PolarHBondContact O-N 3.11Å; I11-L13 VanDerWaalsContact O-N 3.16Å | ||
| 12 | S | 43.7 | Very low | 42.9 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -70.9 | 100.8 | 167.6 | 39.9 | 0 | 0 | 0 | 0 | 109.1 | Q10 L14 | Q10-S12 PolarHBondContact O-N 3.11Å; Q10-S12 VanDerWaalsContact O-N 3.08Å; S12-L14 PolarHBondContact O-N 2.65Å; S12-L14 VanDerWaalsContact O-N 3.13Å | ||
| 13 | L | 42.5 | Very low | 44.5 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -61.1 | 106.3 | 166.1 | -85.6 | 149.5 | 0 | 0 | 0 | 108.8 | I11 F15 | I11-L13 PolarHBondContact O-N 3.11Å; I11-L13 VanDerWaalsContact O-N 3.16Å; L13-F15 PolarHBondContact O-N 2.81Å; L13-F15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | L | 41.5 | Very low | 47.2 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | -64 | 104.7 | 166.6 | -79.4 | 158.6 | 0 | 0 | 0 | 108.3 | S12 V16 | S12-L14 PolarHBondContact O-N 2.65Å; S12-L14 VanDerWaalsContact O-N 3.13Å; L14-V16 PolarHBondContact O-N 3.47Å | ||
| 15 | F | 45 | Very low | 49.6 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | trans | -65.8 | 99.9 | 163.2 | -82.2 | -91.8 | 0 | 0 | 0 | 108 | L13 N17 | L13-F15 PolarHBondContact O-N 2.81Å; L13-F15 VanDerWaalsContact O-N 3.09Å; F15-N17 PolarHBondContact O-N 3.47Å | ||
| 16 | V | 43.6 | Very low | 52.2 | Low | 131 Ų | 131 | 121.5 Ų | 121.5 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | trans | -65.5 | 101.3 | 161.4 | 176.8 | 0 | 0 | 0 | 0 | 106 | L14 C18 | L14-V16 PolarHBondContact O-N 3.47Å; V16-C18 VanDerWaalsContact C-N 3.28Å; V16-C18 PolarHBondContact O-N 3.31Å | ||
| 17 | N | 36.8 | Very low | 54.7 | Low | 145 Ų | 145 | 114.1 Ų | 114.1 | 78% | 0.775 | 64% | 0.642 | S | S | * | * | trans | -61.5 | 96.5 | 164.8 | -83.8 | -29.7 | 0 | 0 | 0 | 107.5 | F15 I19 | F15-N17 PolarHBondContact O-N 3.47Å; N17-I19 PolarHBondContact O-N 3.37Å | ||
| 18 | C | 33.9 | Very low | 57 | Low | 109 Ų | 109 | 108.6 Ų | 108.6 | 74% | 0.736 | 62% | 0.616 | S | S | * | * | trans | -61.8 | 103.5 | 163.7 | -172.4 | 0 | 0 | 0 | 0 | 106.9 | V16 C20 | V16-C18 VanDerWaalsContact C-N 3.28Å; V16-C18 PolarHBondContact O-N 3.31Å; C18-C20 VanDerWaalsContact C-N 3.27Å; C18-C20 PolarHBondContact O-N 2.82Å | ||
| 19 | I | 34.9 | Very low | 59.4 | Low | 141 Ų | 141 | 107.3 Ų | 107.3 | 72% | 0.723 | 59% | 0.592 | S | S | * | * | trans | -65.3 | 99 | 162.1 | -59.6 | 173.1 | 0 | 0 | 0 | 104.4 | N17 N21 | N17-I19 PolarHBondContact O-N 3.37Å; I19-N21 PolarHBondContact O-N 2.83Å | ||
| 20 | C | 34.1 | Very low | 61.7 | Low | 117 Ų | 117 | 107 Ų | 107 | 79% | 0.791 | 59% | 0.59 | S | S | * | * | trans | -70.4 | 78.2 | 170.7 | -155.7 | 0 | 0 | 0 | 0 | 106.8 | C18 G22 | C18-C20 VanDerWaalsContact C-N 3.27Å; C18-C20 PolarHBondContact O-N 2.82Å; C20-G22 VanDerWaalsContact C-N 3.26Å; C20-G22 PolarHBondContact O-N 2.7Å | ||
| 21 | N | 38.1 | Very low | 64.3 | Low | 144 Ų | 144 | 104.1 Ų | 104.1 | 77% | 0.77 | 58% | 0.58 | S | S | * | * | trans | -58.9 | 101.8 | 160.1 | -102.3 | 3 | 0 | 0 | 0 | 104.5 | I19 S23 | I19-N21 PolarHBondContact O-N 2.83Å; N21-S23 PolarHBondContact O-N 2.7Å | ||
| 22 | G | 56.8 | Low | 66.8 | Low | 56 Ų | 56 | 98.3 Ų | 98.3 | 58% | 0.577 | 55% | 0.551 | S | S | * | * | trans | -50 | 138.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | C20 | C20-G22 VanDerWaalsContact C-N 3.26Å; C20-G22 PolarHBondContact O-N 2.7Å | ||
| 23 | S | 77.4 | Confident | 69.3 | Low | 59 Ų | 59 | 93.5 Ų | 93.5 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | trans | -45.8 | 149.2 | 173.7 | -52.7 | 0 | 0 | 0 | 0 | 109.2 | N21 H40 Y41 | N21-S23 PolarHBondContact O-N 2.7Å; S23-H40 PolarHBondContact OG-O 3.32Å; S23-Y41 PolarHBondContact O-OH 2.94Å | ||
| 24 | E | 92.7 | Very high | 72 | Confident | 129 Ų | 129 | 87.6 Ų | 87.6 | 60% | 0.603 | 49% | 0.489 | S | S | * | . | trans | -82.7 | 147 | 175.4 | -162.7 | 158.6 | -166.7 | 0 | 0 | 109.7 | N266 | E24-N266 HydrophobicContact CG-CB 4.35Š| ||
| 25 | W | 97.7 | Very high | 74.6 | Confident | 43 Ų | 43 | 86.6 Ų | 86.6 | 16% | 0.163 | 48% | 0.48 | C | S | . | . | trans | -136.9 | 159.3 | 177.7 | 69.1 | -85.1 | 0 | 0 | 0 | 111.3 | Y27 W37 Y41 H88 T232 P233 N266 | W25-Y27 HydrophobicContact CH2-CE2 4.03Å; W25-Y27 HydrophobicContact CZ3-CD2 4.04Å; W25-Y27 HydrophobicContact CZ3-CE1 4.4Å; W25-Y27 AromaticContact CZ3-CE2 3.58Å; W25-Y27 HydrophobicContact CZ3-CE2 3.58Å; W25-Y27 AromaticContact CZ3-CZ 3.78Å; W25-W37 HydrophobicContact CD2-CZ2 4.47Å; W25-W37 HydrophobicContact CE3-CH2 4.18Å; W25-W37 AromaticContact CE3-CZ2 3.52Å; W25-W37 HydrophobicContact CE3-CZ2 3.52Å; W25-W37 HydrophobicContact CZ3-CH2 4.24Å; W25-W37 AromaticContact CZ3-CZ2 3.96Å; W25-W37 HydrophobicContact CZ3-CZ2 3.96Å; W25-Y41 HydrophobicContact CB-CE2 3.93Å; W25-Y41 WeakPolarHBondContact CB-OH 3.44Å; W25-H88 AromaticContact CD2-CE1 3.95Å; W25-H88 AromaticContact CE2-CE1 3.78Å; W25-H88 AromaticContact CE2-NE2 3.91Å; W25-H88 AromaticContact CE3-CE1 3.98Å; W25-H88 HydrophobicContact CH2-CB 3.72Å; W25-H88 AromaticContact CH2-CD2 3.9Å; W25-H88 AromaticContact CH2-CE1 3.73Å; W25-H88 AromaticContact CH2-CG 3.43Å; W25-H88 VanDerWaalsContact CH2-CG 3.43Å; W25-H88 AromaticContact CH2-ND1 3.37Å; W25-H88 WeakPolarHBondContact CH2-ND1 3.49Å; W25-H88 HydrophobicContact CZ2-CB 4.36Å; W25-H88 AromaticContact CZ2-CD2 3.72Å; W25-H88 AromaticContact CZ2-CE1 3.67Å; W25-H88 AromaticContact CZ2-CG 3.76Å; W25-H88 AromaticContact CZ2-ND1 3.78Å; W25-H88 AromaticContact CZ2-NE2 3.68Å; W25-H88 HydrophobicContact CZ3-CB 4.41Å; W25-H88 AromaticContact CZ3-CE1 3.88Å; W25-H88 AromaticContact CZ3-ND1 3.49Å; W25-H88 WeakPolarHBondContact CZ3-ND1 3.42Å; W25-T232 HydrophobicContact CH2-CG2 3.6Å; W25-T232 HydrophobicContact CZ2-CG2 4.2Å; W25-T232 HydrophobicContact CZ3-CG2 4.1Å; W25-P233 HydrophobicContact CB-CG 3.88Å; W25-P233 HydrophobicContact CD2-CG 4Å; W25-P233 HydrophobicContact CG-CB 4.21Å; W25-P233 HydrophobicContact CG-CG 3.71Å; W25-N266 PolarHBondContact O-ND2 2.97Å | ||
| 26 | S | 98.1 | Very high | 77.1 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 45% | 0.448 | C | S | . | . | trans | -153.6 | 171.7 | 178.9 | 65.8 | 0 | 0 | 0 | 0 | 109.7 | N29 T32 G33 W37 E267 | S26-N29 WeakPolarHBondContact OG-CB 3.41Å; S26-N29 PolarHBondContact OG-N 3.3Å; S26-N29 PolarHBondContact OG-O 3.45Å; S26-T32 WeakPolarHBondContact CB-OG1 3.44Å; S26-T32 PolarHBondContact N-O 2.74Å; S26-T32 VanDerWaalsContact OG-C 3.28Å; S26-T32 PolarHBondContact OG-O 2.9Å; S26-T32 PolarHBondContact OG-OG1 3.17Å; S26-G33 VanDerWaalsContact O-CA 3.29Å; S26-G33 WeakPolarHBondContact O-CA 3.44Å; S26-W37 WeakPolarHBondContact O-CZ2 3.46Å; S26-W37 PolarHBondContact O-NE1 3.49Å; S26-E267 VanDerWaalsContact CA-OE1 3.26Å; S26-E267 WeakPolarHBondContact CA-OE1 3.26Å | ||
| 27 | Y | 98.4 | Very high | 79.7 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 8% | 0.078 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -91.8 | -40.1 | 165.5 | -68.7 | -76.4 | 0 | 0 | 0 | 112.5 | W25 P34 W37 H88 T232 Y263 E267 N275 | W25-Y27 HydrophobicContact CH2-CE2 4.03Å; W25-Y27 HydrophobicContact CZ3-CD2 4.04Å; W25-Y27 HydrophobicContact CZ3-CE1 4.4Å; W25-Y27 AromaticContact CZ3-CE2 3.58Å; W25-Y27 HydrophobicContact CZ3-CE2 3.58Å; W25-Y27 AromaticContact CZ3-CZ 3.78Å; Y27-P34 HydrophobicContact CD1-CG 4.21Å; Y27-P34 WeakPolarHBondContact O-CD 3.27Å; Y27-W37 HydrophobicContact CD1-CH2 4.16Å; Y27-W37 HydrophobicContact CD1-CZ2 4.35Å; Y27-W37 AromaticContact CE1-CH2 3.78Å; Y27-W37 HydrophobicContact CE1-CH2 3.78Å; Y27-W37 HydrophobicContact CE1-CZ2 4.34Å; Y27-H88 HydrophobicContact CE2-CB 4.12Å; Y27-T232 VanDerWaalsContact OH-CG2 3.24Å; Y27-T232 WeakPolarHBondContact OH-CG2 3.42Å; Y27-Y263 HydrophobicContact CD2-CE1 4.16Å; Y27-E267 VanDerWaalsContact N-CD 3.35Å; Y27-E267 PolarHBondContact N-OE1 2.7Å; Y27-E267 PolarHBondContact N-OE2 3.41Å; Y27-E267 VanDerWaalsContact N-OE2 3.15Å; Y27-N275 HydrophobicContact CD2-CB 3.74Å; Y27-N275 WeakPolarHBondContact CE1-O 3.47Å; Y27-N275 HydrophobicContact CE2-CB 3.64Å; Y27-N275 HydrophobicContact CG-CB 4.31Å; Y27-N275 PolarHBondContact OH-O 3.25Å |
| 28 | T | 97.8 | Very high | 82.4 | Confident | 35 Ų | 35 | 70 Ų | 70 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -109.4 | -15.7 | -162.7 | 67.1 | 0 | 0 | 0 | 0 | 114.7 | Y263 E267 K268 Q269 | T28-Y263 HydrophobicContact CG2-CE2 3.83Å; T28-E267 WeakPolarHBondContact CB-OE2 3.33Å; T28-E267 PolarHBondContact N-OE2 2.87Å; T28-E267 PolarHBondContact OG1-OE2 3.08Å; T28-K268 PolarHBondContact OG1-N 3.35Å; T28-Q269 HydrophobicContact CG2-CB 3.9Å; T28-Q269 PolarHBondContact OG1-N 3.21Å; T28-Q269 VanDerWaalsContact OG1-N 3.12Å |
| 29 | N | 97.4 | Very high | 85.3 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 25% | 0.251 | 39% | 0.387 | S | S | . | . | trans | -84 | 116.1 | 172.4 | -179 | -3.1 | 0 | 0 | 0 | 109.4 | S26 L31 T32 G33 K268 | S26-N29 WeakPolarHBondContact OG-CB 3.41Å; S26-N29 PolarHBondContact OG-N 3.3Å; S26-N29 PolarHBondContact OG-O 3.45Å; N29-L31 PolarHBondContact O-N 3.15Å; N29-L31 PolarHBondContact OD1-N 3.31Å; N29-T32 CarbonylContact O-C 3.59Å; N29-T32 PolarHBondContact O-N 2.77Å; N29-G33 WeakPolarHBondContact O-CA 3.47Å; N29-G33 PolarHBondContact O-N 2.91Å; N29-K268 HydrophobicContact CB-CB 4.31Å | ||
| 30 | I | 96.8 | Very high | 88.2 | Confident | 143 Ų | 143 | 67.8 Ų | 67.8 | 73% | 0.733 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.9 | -175.6 | -164 | 169.1 | 0 | 0 | 0 | 113.6 | T32 | I30-T32 VanDerWaalsContact C-N 3.34Š|
| 31 | L | 96.9 | Very high | 91.2 | Very high | 126 Ų | 126 | 63.4 Ų | 63.4 | 66% | 0.66 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -20.7 | 179.8 | -61 | 179.1 | 0 | 0 | 0 | 113.3 | N29 H40 | N29-L31 PolarHBondContact O-N 3.15Å; N29-L31 PolarHBondContact OD1-N 3.31Å; L31-H40 PolarHBondContact O-CE1 3.16Å; L31-H40 VanDerWaalsContact O-CE1 3.31Å |
| 32 | T | 97.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 64 Ų | 64 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | 10.8 | -173.8 | 46.9 | 0 | 0 | 0 | 0 | 111.9 | S26 N29 I30 T36 W37 | S26-T32 WeakPolarHBondContact CB-OG1 3.44Å; S26-T32 PolarHBondContact N-O 2.74Å; S26-T32 VanDerWaalsContact OG-C 3.28Å; S26-T32 PolarHBondContact OG-O 2.9Å; S26-T32 PolarHBondContact OG-OG1 3.17Å; N29-T32 CarbonylContact O-C 3.59Å; N29-T32 PolarHBondContact O-N 2.77Å; I30-T32 VanDerWaalsContact C-N 3.34Å; T32-T36 VanDerWaalsContact C-OG1 3.31Å; T32-W37 PolarHBondContact O-NE1 3.34Å |
| 33 | G | 97.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 66.7 Ų | 66.7 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -74.1 | 171.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S26 N29 E35 T36 W37 | S26-G33 VanDerWaalsContact O-CA 3.29Å; S26-G33 WeakPolarHBondContact O-CA 3.44Å; N29-G33 WeakPolarHBondContact O-CA 3.47Å; N29-G33 PolarHBondContact O-N 2.91Å; G33-E35 PolarHBondContact O-N 2.79Å; G33-E35 VanDerWaalsContact O-N 3.08Å; G33-T36 PolarHBondContact N-OG1 2.76Å; G33-T36 PolarHBondContact O-N 3.23Å; G33-T36 PolarHBondContact O-OG1 3.15Å; G33-W37 VanDerWaalsContact C-NE1 3.31Å; G33-W37 PolarHBondContact O-NE1 3.29Å |
| 34 | P | 98 | Very high | 96.2 | Very high | 22 Ų | 22 | 66.2 Ų | 66.2 | 14% | 0.143 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -52.1 | -34.9 | -176 | -29.3 | 36 | 0 | 0 | 0 | 115.6 | Y27 T36 W37 R277 P278 | Y27-P34 HydrophobicContact CD1-CG 4.21Å; Y27-P34 WeakPolarHBondContact O-CD 3.27Å; P34-T36 PolarHBondContact O-N 3.45Å; P34-W37 HydrophobicContact CB-CD2 4.33Å; P34-W37 HydrophobicContact CB-CE3 4.34Å; P34-W37 HydrophobicContact CB-CH2 4.24Å; P34-W37 HydrophobicContact CB-CZ2 4.21Å; P34-W37 HydrophobicContact CB-CZ3 4.29Å; P34-W37 HydrophobicContact CG-CH2 3.91Å; P34-W37 HydrophobicContact CG-CZ2 3.76Å; P34-W37 HydrophobicContact CG-CZ3 4.44Å; P34-W37 PolarHBondContact O-N 3.25Å; P34-R277 HydrophobicContact CB-CG 4.41Å; P34-P278 VanDerWaalsContact CB-CD 3.41Å; P34-P278 HydrophobicContact CB-CG 4.08Å |
| 35 | E | 96.5 | Very high | 96.4 | Very high | 141 Ų | 141 | 60.3 Ų | 60.3 | 66% | 0.659 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -64.6 | -20.7 | 177.4 | -56 | -54.1 | 140.3 | 0 | 0 | 113.3 | G33 H38 | G33-E35 PolarHBondContact O-N 2.79Å; G33-E35 VanDerWaalsContact O-N 3.08Å; E35-H38 PolarHBondContact O-CD2 3.3Å; E35-H38 PolarHBondContact O-NE2 2.81Å |
| 36 | T | 97.4 | Very high | 96.3 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 14% | 0.135 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -95.6 | -13.5 | -179.6 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | T32 G33 P34 H38 E39 H40 | T32-T36 VanDerWaalsContact C-OG1 3.31Å; G33-T36 PolarHBondContact N-OG1 2.76Å; G33-T36 PolarHBondContact O-N 3.23Å; G33-T36 PolarHBondContact O-OG1 3.15Å; P34-T36 PolarHBondContact O-N 3.45Å; T36-H38 VanDerWaalsContact C-N 3.26Å; T36-H38 PolarHBondContact O-N 3.36Å; T36-E39 PolarHBondContact O-N 2.68Å; T36-H40 PolarHBondContact O-N 3.35Å; T36-H40 VanDerWaalsContact O-N 3.11Å |
| 37 | W | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.2 | -30 | -170.3 | -64.2 | -6 | 0 | 0 | 0 | 113 | W25 S26 Y27 T32 G33 P34 E39 H40 Y41 C45 T231 P233 R277 | W25-W37 HydrophobicContact CD2-CZ2 4.47Å; W25-W37 HydrophobicContact CE3-CH2 4.18Å; W25-W37 AromaticContact CE3-CZ2 3.52Å; W25-W37 HydrophobicContact CE3-CZ2 3.52Å; W25-W37 HydrophobicContact CZ3-CH2 4.24Å; W25-W37 AromaticContact CZ3-CZ2 3.96Å; W25-W37 HydrophobicContact CZ3-CZ2 3.96Å; S26-W37 WeakPolarHBondContact O-CZ2 3.46Å; S26-W37 PolarHBondContact O-NE1 3.49Å; Y27-W37 HydrophobicContact CD1-CH2 4.16Å; Y27-W37 HydrophobicContact CD1-CZ2 4.35Å; Y27-W37 AromaticContact CE1-CH2 3.78Å; Y27-W37 HydrophobicContact CE1-CH2 3.78Å; Y27-W37 HydrophobicContact CE1-CZ2 4.34Å; T32-W37 PolarHBondContact O-NE1 3.34Å; G33-W37 VanDerWaalsContact C-NE1 3.31Å; G33-W37 PolarHBondContact O-NE1 3.29Å; P34-W37 HydrophobicContact CB-CD2 4.33Å; P34-W37 HydrophobicContact CB-CE3 4.34Å; P34-W37 HydrophobicContact CB-CH2 4.24Å; P34-W37 HydrophobicContact CB-CZ2 4.21Å; P34-W37 HydrophobicContact CB-CZ3 4.29Å; P34-W37 HydrophobicContact CG-CH2 3.91Å; P34-W37 HydrophobicContact CG-CZ2 3.76Å; P34-W37 HydrophobicContact CG-CZ3 4.44Å; P34-W37 PolarHBondContact O-N 3.25Å; W37-E39 PolarHBondContact O-N 3.2Å; W37-H40 PolarHBondContact O-N 3.08Å; W37-Y41 HydrophobicContact CB-CD2 4.31Å; W37-Y41 WeakPolarHBondContact O-CA 3.34Å; W37-Y41 PolarHBondContact O-N 3.13Å; W37-C45 HydrophobicContact CB-CB 4.11Å; W37-C45 VanDerWaalsContact O-CB 3.25Å; W37-C45 WeakPolarHBondContact O-CB 3.23Å; W37-T231 VanDerWaalsContact CZ3-O 3.32Å; W37-T231 WeakPolarHBondContact CZ3-O 3.28Å; W37-P233 HydrophobicContact CB-CG 4.47Å; W37-P233 HydrophobicContact CD2-CG 3.62Å; W37-P233 HydrophobicContact CE3-CG 3.96Å; W37-P233 HydrophobicContact CG-CG 3.87Å; W37-P233 HydrophobicContact CZ2-CG 4.47Å; W37-R277 HydrophobicContact CE3-CG 4.34Å; W37-R277 HydrophobicContact CH2-CG 4.48Å; W37-R277 HydrophobicContact CZ3-CB 4.12Å; W37-R277 HydrophobicContact CZ3-CG 3.71Å |
| 38 | H | 94.8 | Very high | 96 | Very high | 90 Ų | 90 | 64 Ų | 64 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -24.6 | 176.2 | 75.3 | 82.2 | 0 | 0 | 0 | 112.8 | E35 T36 K42 | E35-H38 PolarHBondContact O-CD2 3.3Å; E35-H38 PolarHBondContact O-NE2 2.81Å; T36-H38 VanDerWaalsContact C-N 3.26Å; T36-H38 PolarHBondContact O-N 3.36Å; H38-K42 WeakPolarHBondContact O-CA 3.49Å |
| 39 | E | 95.2 | Very high | 96.1 | Very high | 131 Ų | 131 | 65.1 Ų | 65.1 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -86.9 | -47.4 | 174.8 | -54 | -166.1 | 153.2 | 0 | 0 | 111 | T36 W37 | T36-E39 PolarHBondContact O-N 2.68Å; W37-E39 PolarHBondContact O-N 3.2Å |
| 40 | H | 95.5 | Very high | 96.1 | Very high | 71 Ų | 71 | 63.1 Ų | 63.1 | 33% | 0.329 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -76 | -25.3 | -173.3 | -63.1 | 172.3 | 0 | 0 | 0 | 114.1 | S23 L31 T36 W37 | S23-H40 PolarHBondContact OG-O 3.32Å; L31-H40 PolarHBondContact O-CE1 3.16Å; L31-H40 VanDerWaalsContact O-CE1 3.31Å; T36-H40 PolarHBondContact O-N 3.35Å; T36-H40 VanDerWaalsContact O-N 3.11Å; W37-H40 PolarHBondContact O-N 3.08Å |
| 41 | Y | 95.9 | Very high | 96.2 | Very high | 26 Ų | 26 | 56.3 Ų | 56.3 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | 53.6 | -180 | -54.7 | -89.8 | 0 | 0 | 0 | 110.3 | S23 W25 W37 N43 M44 C45 P233 | S23-Y41 PolarHBondContact O-OH 2.94Å; W25-Y41 HydrophobicContact CB-CE2 3.93Å; W25-Y41 WeakPolarHBondContact CB-OH 3.44Å; W37-Y41 HydrophobicContact CB-CD2 4.31Å; W37-Y41 WeakPolarHBondContact O-CA 3.34Å; W37-Y41 PolarHBondContact O-N 3.13Å; Y41-N43 PolarHBondContact O-N 3.26Å; Y41-N43 PolarHBondContact O-OD1 3.16Å; Y41-M44 PolarHBondContact O-N 3.09Å; Y41-C45 WeakPolarHBondContact CB-SG 3.32Å; Y41-C45 VanDerWaalsContact O-CB 3.26Å; Y41-C45 WeakPolarHBondContact O-CB 3.29Å; Y41-C45 PolarHBondContact O-N 3.02Å; Y41-P233 HydrophobicContact CD1-CB 3.8Å; Y41-P233 HydrophobicContact CD2-CB 3.65Å; Y41-P233 HydrophobicContact CD2-CG 3.79Å; Y41-P233 HydrophobicContact CE1-CB 3.69Å; Y41-P233 HydrophobicContact CE2-CB 3.52Å; Y41-P233 HydrophobicContact CE2-CG 3.59Å; Y41-P233 HydrophobicContact CG-CB 3.76Å; Y41-P233 HydrophobicContact CG-CG 4.37Å |
| 42 | K | 92.7 | Very high | 96.3 | Very high | 157 Ų | 157 | 50.3 Ų | 50.3 | 68% | 0.683 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -18.6 | -174.7 | -166 | 172.7 | -176.3 | 174.2 | 0 | 114.6 | H38 M44 S46 | H38-K42 WeakPolarHBondContact O-CA 3.49Å; K42-M44 VanDerWaalsContact C-N 3.3Å; K42-M44 PolarHBondContact O-N 3.34Å; K42-S46 PolarHBondContact O-OG 3.31Å |
| 43 | N | 90.9 | Very high | 96.4 | Very high | 112 Ų | 112 | 49.3 Ų | 49.3 | 60% | 0.599 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -41.2 | -178.9 | 64.1 | -43.9 | 0 | 0 | 0 | 112.3 | Y41 | Y41-N43 PolarHBondContact O-N 3.26Å; Y41-N43 PolarHBondContact O-OD1 3.16Å |
| 44 | M | 93.7 | Very high | 96.4 | Very high | 49 Ų | 49 | 50.2 Ų | 50.2 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145 | -15 | 178.1 | -55.2 | -169.2 | 90.6 | 0 | 0 | 113.9 | Y41 K42 S46 G47 Q50 C235 T236 E237 | Y41-M44 PolarHBondContact O-N 3.09Å; K42-M44 VanDerWaalsContact C-N 3.3Å; K42-M44 PolarHBondContact O-N 3.34Å; M44-S46 PolarHBondContact O-N 3.48Å; M44-G47 PolarHBondContact O-N 3.19Å; M44-Q50 PolarHBondContact O-NE2 3.38Å; M44-Q50 PolarHBondContact O-OE1 3.04Å; M44-Q50 VanDerWaalsContact O-OE1 3.09Å; M44-C235 VanDerWaalsContact CB-O 3.3Å; M44-C235 WeakPolarHBondContact CB-O 3.36Å; M44-T236 VanDerWaalsContact SD-CA 3.57Å; M44-T236 HydrophobicContact SD-CG2 3.68Å; M44-E237 HydrophobicContact CE-CB 3.51Å; M44-E237 HydrophobicContact CE-CG 3.83Å; M44-E237 VanDerWaalsContact CE-N 3.28Å |
| 45 | C | 97.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.3 | 175.8 | -66.6 | 0 | 0 | 0 | 0 | 113.2 | W37 Y41 Q50 P234 C235 R277 | W37-C45 HydrophobicContact CB-CB 4.11Å; W37-C45 VanDerWaalsContact O-CB 3.25Å; W37-C45 WeakPolarHBondContact O-CB 3.23Å; Y41-C45 WeakPolarHBondContact CB-SG 3.32Å; Y41-C45 VanDerWaalsContact O-CB 3.26Å; Y41-C45 WeakPolarHBondContact O-CB 3.29Å; Y41-C45 PolarHBondContact O-N 3.02Å; C45-Q50 VanDerWaalsContact C-NE2 3.35Å; C45-Q50 VanDerWaalsContact CA-NE2 3.26Å; C45-Q50 PolarHBondContact O-NE2 3.42Å; C45-P234 VanDerWaalsContact SG-C 3.58Å; C45-C235 VanDerWaalsContact CA-SG 3.52Å; C45-C235 HydrophobicContact CB-CB 3.84Å; C45-C235 WeakPolarHBondContact CB-SG 3.41Å; C45-C235 WeakPolarHBondContact SG-CB 3.47Å; C45-C235 CovalentContact SG-SG 2.04Å; C45-C235 PolarHBondContact SG-SG 3.23Å; C45-R277 PolarHBondContact O-NH2 2.71Å |
| 46 | S | 96.1 | Very high | 96.5 | Very high | 54 Ų | 54 | 46.6 Ų | 46.6 | 38% | 0.378 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 13.8 | 170.6 | 67.7 | 0 | 0 | 0 | 0 | 114 | K42 M44 | K42-S46 PolarHBondContact O-OG 3.31Å; M44-S46 PolarHBondContact O-N 3.48Å |
| 47 | G | 95 | Very high | 96.6 | Very high | 21 Ų | 21 | 47.7 Ų | 47.7 | 22% | 0.216 | 23% | 0.233 | C | C | . | . | trans | -72.9 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M44 Q50 E237 | M44-G47 PolarHBondContact O-N 3.19Å; G47-Q50 WeakPolarHBondContact O-CG 3.3Å; G47-E237 VanDerWaalsContact C-OE1 3.27Å; G47-E237 VanDerWaalsContact CA-OE1 3.23Å; G47-E237 WeakPolarHBondContact CA-OE1 3.37Å | ||
| 48 | Y | 96.2 | Very high | 96.5 | Very high | 66 Ų | 66 | 54.1 Ų | 54.1 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -112.9 | 1.2 | -175.9 | 46.8 | -104.9 | 0 | 0 | 0 | 114.1 | E237 P284 T287 | Y48-E237 PolarHBondContact N-OE1 2.95Å; Y48-P284 VanDerWaalsContact O-CD 3.3Å; Y48-P284 WeakPolarHBondContact O-CD 3.39Å; Y48-T287 WeakPolarHBondContact CD2-OG1 3.48Å |
| 49 | Y | 97.9 | Very high | 96.7 | Very high | 58 Ų | 58 | 54.3 Ų | 54.3 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -111.8 | 43 | 169.3 | -60.5 | -38.6 | 0 | 0 | 0 | 112 | G228 S229 E237 A289 R291 | Y49-G228 CarbonylContact O-C 3.48Å; Y49-G228 VanDerWaalsContact O-C 3.24Å; Y49-G228 WeakPolarHBondContact O-CA 3.37Å; Y49-S229 PolarHBondContact O-N 3.31Å; Y49-E237 WeakPolarHBondContact CA-OE1 3.44Å; Y49-E237 PolarHBondContact N-OE1 3.24Å; Y49-A289 VanDerWaalsContact CE1-O 3.23Å; Y49-A289 WeakPolarHBondContact CE1-O 3.45Å; Y49-A289 VanDerWaalsContact CZ-O 3.29Å; Y49-A289 PolarHBondContact OH-O 2.93Å; Y49-R291 HydrophobicContact CD1-CB 4.1Å; Y49-R291 HydrophobicContact CD1-CG 3.78Å; Y49-R291 HydrophobicContact CE1-CB 3.88Å; Y49-R291 HydrophobicContact CE1-CG 3.94Å; Y49-R291 PolarHBondContact O-NH1 3.5Å; Y49-R291 VanDerWaalsContact O-NH1 3.08Å |
| 50 | Q | 98.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 2% | 0.023 | 25% | 0.246 | C | C | . | . | trans | -79.4 | 157.6 | -175.3 | -62.6 | -69.7 | 80.5 | 0 | 0 | 113.6 | M44 C45 G47 S229 C235 Q280 R291 | M44-Q50 PolarHBondContact O-NE2 3.38Å; M44-Q50 PolarHBondContact O-OE1 3.04Å; M44-Q50 VanDerWaalsContact O-OE1 3.09Å; C45-Q50 VanDerWaalsContact C-NE2 3.35Å; C45-Q50 VanDerWaalsContact CA-NE2 3.26Å; C45-Q50 PolarHBondContact O-NE2 3.42Å; G47-Q50 WeakPolarHBondContact O-CG 3.3Å; Q50-S229 WeakPolarHBondContact CA-OG 3.41Å; Q50-S229 VanDerWaalsContact OE1-CB 3.26Å; Q50-S229 PolarHBondContact OE1-OG 3.11Å; Q50-C235 PolarHBondContact OE1-O 3.31Å; Q50-Q280 HydrophobicContact CB-CB 3.87Å; Q50-Q280 HydrophobicContact CB-CG 3.77Å; Q50-R291 PolarHBondContact O-NH1 3.1Å; Q50-R291 VanDerWaalsContact O-NH1 3.16Å; Q50-R291 PolarHBondContact O-NH2 2.93Å | ||
| 51 | S | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -126 | 153.7 | 173.7 | -65.2 | 0 | 0 | 0 | 0 | 109.5 | Y226 S229 W241 R277 | S51-Y226 WeakPolarHBondContact CB-OH 3.26Å; S51-Y226 WeakPolarHBondContact OG-CE2 3.15Å; S51-Y226 PolarHBondContact OG-OH 2.91Å; S51-S229 WeakPolarHBondContact CB-O 3.25Å; S51-S229 PolarHBondContact N-OG 3.12Å; S51-S229 PolarHBondContact OG-N 3.09Å; S51-S229 PolarHBondContact OG-O 2.83Å; S51-W241 PolarHBondContact OG-NE1 2.74Å; S51-R277 WeakPolarHBondContact O-CD 3.41Å; S51-R277 PolarHBondContact O-NH1 3.43Å |
| 52 | P | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | cis | -78.3 | 169.5 | 0.4 | 36.1 | -41.3 | 0 | 0 | 0 | 113.2 | E129 H130 R277 I279 Q280 | P52-E129 VanDerWaalsContact CB-C 3.41Å; P52-E129 HydrophobicContact CB-CB 3.72Å; P52-E129 WeakPolarHBondContact CB-O 3.4Å; P52-E129 HydrophobicContact CG-CB 3.79Å; P52-E129 WeakPolarHBondContact CG-O 3.21Å; P52-H130 WeakPolarHBondContact CB-CD2 3.39Å; P52-R277 HydrophobicContact CG-CB 4.46Å; P52-R277 WeakPolarHBondContact CG-O 3.13Å; P52-I279 HydrophobicContact CB-CD1 4.4Å; P52-I279 HydrophobicContact CG-CD1 4.33Å; P52-Q280 WeakPolarHBondContact O-CA 3.4Å; P52-Q280 VanDerWaalsContact O-CB 3.25Å; P52-Q280 WeakPolarHBondContact O-CB 3.32Å; P52-Q280 WeakPolarHBondContact O-CG 3.21Å; P52-Q280 PolarHBondContact O-N 3.43Å | ||
| 53 | I | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -130.9 | 162 | 174 | 63.9 | 169.8 | 0 | 0 | 0 | 110.9 | L55 Y226 L282 L293 | I53-L55 HydrophobicContact CD1-CD2 4.08Å; I53-L55 HydrophobicContact CG1-CD2 3.87Å; I53-L55 PolarHBondContact O-N 2.95Å; I53-Y226 HydrophobicContact CD1-CD1 4.01Å; I53-Y226 HydrophobicContact CD1-CD2 3.84Å; I53-Y226 HydrophobicContact CD1-CE1 4Å; I53-Y226 HydrophobicContact CD1-CE2 3.85Å; I53-Y226 HydrophobicContact CD1-CG 3.95Å; I53-Y226 HydrophobicContact CG1-CE1 4.03Å; I53-Y226 HydrophobicContact CG1-CE2 4.06Å; I53-Y226 HydrophobicContact CG2-CE2 4.34Å; I53-L282 HydrophobicContact CD1-CD1 3.71Å; I53-L293 HydrophobicContact CD1-CD1 4.21Å |
| 54 | D | 98.8 | Very high | 97.6 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 119.1 | 167.5 | -175.8 | 31.3 | 0 | 0 | 0 | 109.8 | K56 T131 D133 G134 I279 | D54-K56 HydrophobicContact CB-CG 4.42Å; D54-K56 PolarHBondContact O-N 3.09Å; D54-K56 VanDerWaalsContact O-N 3.12Å; D54-K56 VanDerWaalsContact OD2-CE 3.25Å; D54-K56 WeakPolarHBondContact OD2-CE 3.33Å; D54-K56 VanDerWaalsContact OD2-CG 3.25Å; D54-K56 WeakPolarHBondContact OD2-CG 3.37Å; D54-K56 IonicContact OD2-NZ 3.13Å; D54-K56 PolarHBondContact OD2-NZ 2.89Å; D54-T131 WeakPolarHBondContact CA-OG1 3.49Å; D54-T131 VanDerWaalsContact CB-OG1 3.3Å; D54-T131 WeakPolarHBondContact CB-OG1 3.14Å; D54-T131 WeakPolarHBondContact OD1-CB 3.48Å; D54-T131 PolarHBondContact OD1-OG1 2.87Å; D54-D133 PolarHBondContact OD1-N 2.91Å; D54-G134 PolarHBondContact OD1-N 2.94Å; D54-I279 HydrophobicContact CB-CG2 4.23Å |
| 55 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 83.5 | -178 | -55.6 | 172 | 0 | 0 | 0 | 109 | I53 H130 T131 I132 D133 F224 Y226 V243 L293 | I53-L55 HydrophobicContact CD1-CD2 4.08Å; I53-L55 HydrophobicContact CG1-CD2 3.87Å; I53-L55 PolarHBondContact O-N 2.95Å; L55-H130 HydrophobicContact CD1-CB 4.15Å; L55-T131 WeakPolarHBondContact CA-O 3.45Å; L55-T131 VanDerWaalsContact CB-O 3.23Å; L55-T131 WeakPolarHBondContact CB-O 3.27Å; L55-T131 WeakPolarHBondContact CG-O 3.45Å; L55-T131 PolarHBondContact N-O 2.9Å; L55-I132 HydrophobicContact CB-CG1 4.34Å; L55-I132 HydrophobicContact CD1-CG1 4.14Å; L55-D133 PolarHBondContact O-N 3.07Å; L55-D133 VanDerWaalsContact O-N 3.11Å; L55-F224 HydrophobicContact CB-CD1 4.35Å; L55-F224 HydrophobicContact CB-CD2 3.67Å; L55-F224 HydrophobicContact CB-CE1 4.38Å; L55-F224 HydrophobicContact CB-CE2 3.71Å; L55-F224 HydrophobicContact CB-CG 3.99Å; L55-F224 HydrophobicContact CB-CZ 4.07Å; L55-F224 HydrophobicContact CD1-CB 4.27Å; L55-F224 HydrophobicContact CD1-CD2 3.86Å; L55-F224 HydrophobicContact CD1-CG 4.29Å; L55-F224 HydrophobicContact CD2-CB 3.95Å; L55-F224 HydrophobicContact CD2-CD2 4.49Å; L55-F224 HydrophobicContact CD2-CG 4.16Å; L55-F224 HydrophobicContact CG-CD2 4.23Å; L55-F224 HydrophobicContact CG-CG 4.39Å; L55-Y226 HydrophobicContact CD2-CD1 4.42Å; L55-Y226 HydrophobicContact CD2-CE1 4.22Å; L55-V243 HydrophobicContact CD1-CB 3.67Å; L55-V243 HydrophobicContact CD1-CG1 3.56Å; L55-V243 HydrophobicContact CD1-CG2 4.22Å; L55-L293 HydrophobicContact CD2-CD1 3.82Å; L55-L293 HydrophobicContact CD2-CD2 4.47Å |
| 56 | K | 98.6 | Very high | 97.8 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | trans | -81.9 | 117 | -177.6 | -67.5 | 179.1 | -173.6 | -58.5 | 0 | 111 | D54 D58 I59 S60 D133 | D54-K56 HydrophobicContact CB-CG 4.42Å; D54-K56 PolarHBondContact O-N 3.09Å; D54-K56 VanDerWaalsContact O-N 3.12Å; D54-K56 VanDerWaalsContact OD2-CE 3.25Å; D54-K56 WeakPolarHBondContact OD2-CE 3.33Å; D54-K56 VanDerWaalsContact OD2-CG 3.25Å; D54-K56 WeakPolarHBondContact OD2-CG 3.37Å; D54-K56 IonicContact OD2-NZ 3.13Å; D54-K56 PolarHBondContact OD2-NZ 2.89Å; K56-D58 VanDerWaalsContact C-N 3.35Å; K56-D58 PolarHBondContact O-N 3.1Å; K56-I59 HydrophobicContact CB-CD1 3.71Å; K56-I59 HydrophobicContact CB-CG1 3.47Å; K56-I59 VanDerWaalsContact CB-CG1 3.47Å; K56-I59 HydrophobicContact CD-CD1 3.69Å; K56-I59 HydrophobicContact CD-CG1 4.26Å; K56-I59 HydrophobicContact CG-CD1 4.26Å; K56-I59 HydrophobicContact CG-CG1 4.49Å; K56-S60 WeakPolarHBondContact O-CB 3.16Å; K56-S60 PolarHBondContact O-N 3.09Å; K56-D133 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 57 | T | 98.1 | Very high | 97.9 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 27% | 0.27 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -38.3 | -174.6 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | S60 D133 R295 | T57-S60 PolarHBondContact O-OG 2.87Å; T57-D133 WeakPolarHBondContact CB-OD2 3.5Å; T57-D133 PolarHBondContact N-OD1 2.98Å; T57-D133 PolarHBondContact OG1-OD1 3.05Å; T57-D133 PolarHBondContact OG1-OD2 3.3Å; T57-R295 PolarHBondContact O-NH2 2.78Å |
| 58 | D | 97.3 | Very high | 98 | Very high | 135 Ų | 135 | 55.1 Ų | 55.1 | 72% | 0.722 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -38 | -174.3 | 63.5 | -18.3 | 0 | 0 | 0 | 113.7 | K56 | K56-D58 VanDerWaalsContact C-N 3.35Å; K56-D58 PolarHBondContact O-N 3.1Å |
| 59 | I | 97.3 | Very high | 98.2 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -12.1 | 176.7 | 68.6 | 169.1 | 0 | 0 | 0 | 113.1 | K56 L282 | K56-I59 HydrophobicContact CB-CD1 3.71Å; K56-I59 HydrophobicContact CB-CG1 3.47Å; K56-I59 VanDerWaalsContact CB-CG1 3.47Å; K56-I59 HydrophobicContact CD-CD1 3.69Å; K56-I59 HydrophobicContact CD-CG1 4.26Å; K56-I59 HydrophobicContact CG-CD1 4.26Å; K56-I59 HydrophobicContact CG-CG1 4.49Å; I59-L282 HydrophobicContact CD1-CD2 4.34Å |
| 60 | S | 98.3 | Very high | 98.2 | Very high | 12 Ų | 12 | 52 Ų | 52 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -72.1 | 142.3 | -177.6 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | K56 T57 L293 R295 | K56-S60 WeakPolarHBondContact O-CB 3.16Å; K56-S60 PolarHBondContact O-N 3.09Å; T57-S60 PolarHBondContact O-OG 2.87Å; S60-L293 CarbonylContact C-O 3.49Å; S60-L293 VanDerWaalsContact CA-O 3.32Å; S60-L293 WeakPolarHBondContact CA-O 3.29Å; S60-R295 PolarHBondContact OG-NE 3.12Å |
| 61 | T | 98.6 | Very high | 98.2 | Very high | 69 Ų | 69 | 52.2 Ų | 52.2 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 117.1 | 175.9 | -61.3 | 0 | 0 | 0 | 0 | 110.5 | D63 L293 Y294 R295 | T61-D63 PolarHBondContact O-N 2.94Å; T61-L293 PolarHBondContact N-O 3.15Å; T61-Y294 HydrophobicContact CG2-CD1 4.14Å; T61-Y294 HydrophobicContact CG2-CE1 4.22Å; T61-Y294 CarbonylContact O-C 3.52Å; T61-Y294 VanDerWaalsContact O-CA 3.25Å; T61-Y294 WeakPolarHBondContact O-CA 3.32Å; T61-R295 PolarHBondContact O-N 3Å |
| 62 | L | 98.3 | Very high | 98.2 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 43% | 0.429 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 119.8 | 172.5 | 178.2 | 63.4 | 0 | 0 | 0 | 110.5 | L64 R295 T297 | L62-L64 HydrophobicContact CD1-CD2 4.26Å; L62-L64 HydrophobicContact CD2-CD2 4.23Å; L62-L64 HydrophobicContact CG-CD2 4.22Å; L62-R295 WeakPolarHBondContact CA-O 3.49Å; L62-T297 HydrophobicContact CD1-CG2 3.87Å |
| 63 | D | 97.8 | Very high | 98.2 | Very high | 29 Ų | 29 | 57 Ų | 57 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | trans | -118.6 | 103 | 174.3 | -170.7 | -7.2 | 0 | 0 | 0 | 111.5 | T61 K65 L66 Y294 R295 | T61-D63 PolarHBondContact O-N 2.94Å; D63-K65 PolarHBondContact O-N 2.88Å; D63-K65 VanDerWaalsContact OD1-CB 3.24Å; D63-K65 WeakPolarHBondContact OD1-CB 3.35Å; D63-K65 WeakPolarHBondContact OD1-CG 3.29Å; D63-K65 PolarHBondContact OD1-N 3.39Å; D63-K65 IonicContact OD1-NZ 2.93Å; D63-K65 PolarHBondContact OD1-NZ 2.68Å; D63-K65 IonicContact OD2-NZ 3.72Å; D63-K65 PolarHBondContact OD2-NZ 2.85Å; D63-L66 HydrophobicContact CB-CD1 3.99Å; D63-L66 HydrophobicContact CB-CG 3.99Å; D63-L66 WeakPolarHBondContact O-CB 3.22Å; D63-L66 PolarHBondContact O-N 2.78Å; D63-Y294 HydrophobicContact CB-CD1 4.09Å; D63-R295 PolarHBondContact N-O 3.39Å | ||
| 64 | L | 96.6 | Very high | 98.1 | Very high | 106 Ų | 106 | 58.6 Ų | 58.6 | 56% | 0.555 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -7.4 | 179.4 | -61.8 | 178.4 | 0 | 0 | 0 | 114.1 | L62 L66 T297 | L62-L64 HydrophobicContact CD1-CD2 4.26Å; L62-L64 HydrophobicContact CD2-CD2 4.23Å; L62-L64 HydrophobicContact CG-CD2 4.22Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L64-T297 HydrophobicContact CD2-CG2 4.34Å |
| 65 | K | 97.3 | Very high | 98.1 | Very high | 147 Ų | 147 | 63.7 Ų | 63.7 | 64% | 0.639 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -24.3 | 173.6 | -59.4 | -176.1 | -56.1 | -58.9 | 0 | 111.5 | D63 K67 | D63-K65 PolarHBondContact O-N 2.88Å; D63-K65 VanDerWaalsContact OD1-CB 3.24Å; D63-K65 WeakPolarHBondContact OD1-CB 3.35Å; D63-K65 WeakPolarHBondContact OD1-CG 3.29Å; D63-K65 PolarHBondContact OD1-N 3.39Å; D63-K65 IonicContact OD1-NZ 2.93Å; D63-K65 PolarHBondContact OD1-NZ 2.68Å; D63-K65 IonicContact OD2-NZ 3.72Å; D63-K65 PolarHBondContact OD2-NZ 2.85Å; K65-K67 WeakPolarHBondContact O-CD 3.23Å; K65-K67 VanDerWaalsContact O-CE 3.25Å; K65-K67 WeakPolarHBondContact O-CE 3.39Å; K65-K67 PolarHBondContact O-N 2.92Å |
| 66 | L | 97.9 | Very high | 98 | Very high | 33 Ų | 33 | 67.9 Ų | 67.9 | 17% | 0.173 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 125.3 | 176.7 | -63.7 | -179.2 | 0 | 0 | 0 | 110.1 | D63 L64 Y223 R225 A296 | D63-L66 HydrophobicContact CB-CD1 3.99Å; D63-L66 HydrophobicContact CB-CG 3.99Å; D63-L66 WeakPolarHBondContact O-CB 3.22Å; D63-L66 PolarHBondContact O-N 2.78Å; L64-L66 VanDerWaalsContact C-N 3.31Å; L66-Y223 HydrophobicContact CB-CE2 4.26Å; L66-Y223 WeakPolarHBondContact CB-OH 3.23Å; L66-Y223 HydrophobicContact CD1-CE2 4.13Å; L66-R225 HydrophobicContact CD1-CB 3.96Å; L66-R225 HydrophobicContact CD1-CG 4.24Å; L66-R225 HydrophobicContact CD2-CG 4.45Å; L66-A296 HydrophobicContact CB-CB 3.69Å; L66-A296 HydrophobicContact CD1-CB 3.98Å; L66-A296 HydrophobicContact CG-CB 4.49Å |
| 67 | K | 97.6 | Very high | 97.9 | Very high | 112 Ų | 112 | 64.5 Ų | 64.5 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 168 | -174.1 | -52.2 | -56.9 | -179.4 | -173.2 | 0 | 111.8 | K65 V69 F103 Y223 | K65-K67 WeakPolarHBondContact O-CD 3.23Å; K65-K67 VanDerWaalsContact O-CE 3.25Å; K65-K67 WeakPolarHBondContact O-CE 3.39Å; K65-K67 PolarHBondContact O-N 2.92Å; K67-V69 PolarHBondContact O-N 3.01Å; K67-F103 WeakPolarHBondContact CB-O 3.15Å; K67-Y223 PolarHBondContact N-OH 3.34Å; K67-Y223 VanDerWaalsContact O-CE1 3.27Å; K67-Y223 WeakPolarHBondContact O-CE1 3.48Å; K67-Y223 PolarHBondContact O-OH 3.01Å |
| 68 | T | 98.4 | Very high | 97.8 | Very high | 53 Ų | 53 | 68.7 Ų | 68.7 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 138.4 | 167.8 | -165.7 | 0 | 0 | 0 | 0 | 110.5 | I70 P220 S221 | T68-I70 HydrophobicContact CG2-CG1 4.26Å; T68-P220 WeakPolarHBondContact OG1-CG 3.39Å; T68-S221 WeakPolarHBondContact CB-OG 3.17Å; T68-S221 PolarHBondContact OG1-OG 3.21Å; T68-S221 VanDerWaalsContact OG1-OG 3.14Å |
| 69 | V | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 138.8 | 171.5 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | K67 I101 F103 L167 L215 P220 Y223 T242 F244 | K67-V69 PolarHBondContact O-N 3.01Å; V69-I101 HydrophobicContact CG1-CG2 3.9Å; V69-F103 HydrophobicContact CG1-CD1 4.36Å; V69-F103 HydrophobicContact CG1-CE1 4.11Å; V69-F103 HydrophobicContact CG2-CD1 4.02Å; V69-F103 HydrophobicContact CG2-CE1 4.02Å; V69-L167 HydrophobicContact CG1-CD1 4.18Å; V69-L167 HydrophobicContact CG1-CD2 4.37Å; V69-L215 HydrophobicContact CB-CD2 4.48Å; V69-L215 HydrophobicContact CG1-CD2 4.32Å; V69-P220 PolarHBondContact N-O 2.8Å; V69-P220 WeakPolarHBondContact O-CB 3.48Å; V69-Y223 HydrophobicContact CG2-CD1 4.04Å; V69-Y223 HydrophobicContact CG2-CE1 3.72Å; V69-T242 HydrophobicContact CG2-CG2 4.05Å; V69-F244 HydrophobicContact CB-CE1 4.04Å; V69-F244 HydrophobicContact CB-CZ 3.91Å; V69-F244 HydrophobicContact CG1-CZ 4.09Å; V69-F244 HydrophobicContact CG2-CE1 3.81Å; V69-F244 HydrophobicContact CG2-CZ 3.86Å |
| 70 | I | 98.7 | Very high | 97.7 | Very high | 55 Ų | 55 | 68.1 Ų | 68.1 | 28% | 0.282 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.9 | 172.4 | -56.7 | 175.6 | 0 | 0 | 0 | 107.9 | T68 Y72 I101 S102 L107 | T68-I70 HydrophobicContact CG2-CG1 4.26Å; I70-Y72 HydrophobicContact CG2-CD1 4.35Å; I70-I101 CarbonylContact O-C 3.36Å; I70-I101 WeakPolarHBondContact O-CA 3.46Å; I70-S102 PolarHBondContact N-O 2.99Å; I70-S102 PolarHBondContact O-N 3.48Å; I70-L107 HydrophobicContact CD1-CD2 4.46Å; I70-L107 HydrophobicContact CG2-CD2 4.05Å |
| 71 | I | 98.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 67.7 Ų | 67.7 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.5 | 163.9 | -66.8 | 170.3 | 0 | 0 | 0 | 108.2 | W99 F100 I101 I113 I143 L167 L211 L215 | I71-W99 HydrophobicContact CG2-CE3 3.52Å; I71-W99 HydrophobicContact CG2-CZ3 3.75Å; I71-F100 WeakPolarHBondContact CA-O 3.47Å; I71-I101 HydrophobicContact CG1-CG1 4.1Å; I71-I113 HydrophobicContact CG2-CD1 4.11Å; I71-I143 HydrophobicContact CD1-CD1 3.9Å; I71-L167 HydrophobicContact CD1-CD1 3.76Å; I71-L167 HydrophobicContact CG1-CD1 4.13Å; I71-L211 HydrophobicContact CD1-CB 4.27Å; I71-L211 HydrophobicContact CG2-CB 3.6Å; I71-L211 HydrophobicContact CG2-CD1 4.46Å; I71-L215 HydrophobicContact CB-CD2 4.22Å; I71-L215 HydrophobicContact CD1-CB 4.2Å; I71-L215 HydrophobicContact CD1-CD2 4.08Å; I71-L215 HydrophobicContact CG1-CD2 3.93Å |
| 72 | Y | 98.7 | Very high | 97.8 | Very high | 26 Ų | 26 | 66.2 Ų | 66.2 | 10% | 0.102 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.9 | -179 | 64.5 | -77.5 | 0 | 0 | 0 | 111.4 | I70 F100 L107 D108 Y109 | I70-Y72 HydrophobicContact CG2-CD1 4.35Å; Y72-F100 HydrophobicContact CD1-CB 4.06Å; Y72-F100 HydrophobicContact CD2-CB 4.21Å; Y72-F100 HydrophobicContact CD2-CD2 4.45Å; Y72-F100 HydrophobicContact CE1-CB 3.53Å; Y72-F100 HydrophobicContact CE2-CB 3.69Å; Y72-F100 HydrophobicContact CE2-CD2 4.07Å; Y72-F100 HydrophobicContact CE2-CG 4.11Å; Y72-F100 HydrophobicContact CG-CB 4.38Å; Y72-F100 PolarHBondContact N-O 3.02Å; Y72-F100 PolarHBondContact O-N 3.32Å; Y72-L107 HydrophobicContact CD1-CD2 3.65Å; Y72-L107 HydrophobicContact CD2-CB 4.28Å; Y72-L107 HydrophobicContact CD2-CD2 4.49Å; Y72-L107 HydrophobicContact CE1-CB 4.37Å; Y72-L107 HydrophobicContact CE1-CD2 3.77Å; Y72-L107 HydrophobicContact CE2-CB 3.92Å; Y72-L107 HydrophobicContact CG-CD2 4.02Å; Y72-D108 PolarHBondContact OH-N 3.16Å; Y72-Y109 AromaticContact CE2-CD1 3.95Å; Y72-Y109 HydrophobicContact CE2-CD1 3.95Å; Y72-Y109 AromaticContact CE2-CE1 3.91Å; Y72-Y109 HydrophobicContact CE2-CE1 3.91Å; Y72-Y109 VanDerWaalsContact OH-CA 3.23Å; Y72-Y109 WeakPolarHBondContact OH-CA 3.44Å; Y72-Y109 PolarHBondContact OH-N 2.79Å |
| 73 | R | 98.6 | Very high | 97.8 | Very high | 74 Ų | 74 | 62.3 Ų | 62.3 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 139.6 | -175.7 | -159.2 | -178 | -172.3 | -85.8 | 5.8 | 110.4 | T75 S77 T98 W99 D208 | R73-T75 PolarHBondContact O-N 3.46Å; R73-S77 PolarHBondContact NH1-O 3.27Å; R73-S77 PolarHBondContact NH2-O 3.03Å; R73-T98 CarbonylContact C-O 3.53Å; R73-T98 WeakPolarHBondContact CA-O 3.44Å; R73-T98 HydrophobicContact CG-CG2 4.24Å; R73-T98 WeakPolarHBondContact CG-O 3.49Å; R73-W99 HydrophobicContact CB-CD2 4.09Å; R73-W99 HydrophobicContact CB-CE3 3.81Å; R73-W99 HydrophobicContact CB-CH2 3.9Å; R73-W99 HydrophobicContact CB-CZ2 4.15Å; R73-W99 HydrophobicContact CB-CZ3 3.71Å; R73-W99 HydrophobicContact CG-CD2 3.92Å; R73-W99 HydrophobicContact CG-CE3 4.18Å; R73-W99 HydrophobicContact CG-CG 4.48Å; R73-W99 HydrophobicContact CG-CH2 4.23Å; R73-W99 HydrophobicContact CG-CZ2 3.95Å; R73-W99 HydrophobicContact CG-CZ3 4.33Å; R73-D208 IonicContact CZ-OD2 3.74Å; R73-D208 IonicContact NE-OD2 2.68Å; R73-D208 PolarHBondContact NE-OD2 3.35Å; R73-D208 IonicContact NH2-OD2 3.37Å; R73-D208 PolarHBondContact NH2-OD2 3.44Å |
| 74 | N | 98.2 | Very high | 97.8 | Very high | 36 Ų | 36 | 62.6 Ų | 62.6 | 19% | 0.193 | 33% | 0.334 | C | S | . | . | trans | -69 | 105 | 157.2 | 173.7 | 12.4 | 0 | 0 | 0 | 108.4 | S76 S77 N97 T98 F100 | N74-S76 PolarHBondContact ND2-OG 3.41Å; N74-S76 PolarHBondContact O-N 3.05Å; N74-S76 PolarHBondContact OD1-N 3.31Å; N74-S76 VanDerWaalsContact OD1-N 3.11Å; N74-S76 PolarHBondContact OD1-OG 3.36Å; N74-S77 WeakPolarHBondContact O-CB 3.29Å; N74-S77 PolarHBondContact O-N 3.4Å; N74-S77 VanDerWaalsContact O-N 3.11Å; N74-N97 VanDerWaalsContact CB-O 3.27Å; N74-N97 WeakPolarHBondContact CB-O 3.16Å; N74-N97 PolarHBondContact ND2-O 3.47Å; N74-T98 PolarHBondContact N-O 2.91Å; N74-F100 HydrophobicContact CB-CE2 3.95Å | ||
| 75 | T | 97.1 | Very high | 97.9 | Very high | 131 Ų | 131 | 57.6 Ų | 57.6 | 80% | 0.804 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.9 | -175.7 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | R73 | R73-T75 PolarHBondContact O-N 3.46Š|
| 76 | S | 97.2 | Very high | 98 | Very high | 88 Ų | 88 | 52.8 Ų | 52.8 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.4 | 174.3 | 71.1 | 0 | 0 | 0 | 0 | 114.1 | N74 T78 | N74-S76 PolarHBondContact ND2-OG 3.41Å; N74-S76 PolarHBondContact O-N 3.05Å; N74-S76 PolarHBondContact OD1-N 3.31Å; N74-S76 VanDerWaalsContact OD1-N 3.11Å; N74-S76 PolarHBondContact OD1-OG 3.36Å; S76-T78 PolarHBondContact O-N 3.03Å |
| 77 | S | 96 | Very high | 98 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 11% | 0.112 | 28% | 0.282 | C | S | . | . | trans | -72.1 | 123.3 | 179.5 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | R73 N74 T98 | R73-S77 PolarHBondContact NH1-O 3.27Å; R73-S77 PolarHBondContact NH2-O 3.03Å; N74-S77 WeakPolarHBondContact O-CB 3.29Å; N74-S77 PolarHBondContact O-N 3.4Å; N74-S77 VanDerWaalsContact O-N 3.11Å; S77-T98 WeakPolarHBondContact OG-CG2 3.47Å; S77-T98 PolarHBondContact OG-OG1 2.75Å | ||
| 78 | T | 96.3 | Very high | 98 | Very high | 132 Ų | 132 | 47.6 Ų | 47.6 | 81% | 0.81 | 27% | 0.266 | S | S | * | . | trans | -117.3 | -4.5 | -177 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | S76 | S76-T78 PolarHBondContact O-N 3.03Š| ||
| 79 | E | 96.5 | Very high | 98 | Very high | 124 Ų | 124 | 45.3 Ų | 45.3 | 58% | 0.579 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 153.1 | 175.2 | -73.3 | -178.4 | -151.5 | 0 | 0 | 111.8 | P95 | E79-P95 HydrophobicContact CB-CB 3.37Å; E79-P95 HydrophobicContact CB-CG 3.79Å; E79-P95 HydrophobicContact CG-CB 4.34Å; E79-P95 WeakPolarHBondContact O-CG 3.15Å; E79-P95 WeakPolarHBondContact OE2-CB 3.33Å |
| 80 | T | 97.3 | Very high | 98 | Very high | 94 Ų | 94 | 45.2 Ų | 45.2 | 58% | 0.577 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 142.4 | -174.7 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | T205 | T80-T205 HydrophobicContact CG2-CG2 4.13Š|
| 81 | T | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 142.2 | 170.7 | -63.6 | 0 | 0 | 0 | 0 | 110 | V92 F94 I206 D208 | T81-V92 HydrophobicContact CG2-CG1 3.39Å; T81-F94 HydrophobicContact CG2-CD1 4.01Å; T81-F94 HydrophobicContact CG2-CE1 4.11Å; T81-I206 HydrophobicContact CG2-CD1 4.18Å; T81-I206 HydrophobicContact CG2-CG1 4.04Å; T81-I206 PolarHBondContact O-N 2.91Å; T81-D208 PolarHBondContact OG1-OD1 2.76Å |
| 82 | T | 98.7 | Very high | 98 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 23% | 0.233 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 155.1 | 178.4 | 61 | 0 | 0 | 0 | 0 | 110.8 | V92 K93 S204 | T82-V92 CarbonylContact O-C 3.55Å; T82-V92 VanDerWaalsContact O-CA 3.28Å; T82-V92 WeakPolarHBondContact O-CA 3.28Å; T82-K93 PolarHBondContact N-O 2.88Å; T82-K93 VanDerWaalsContact N-O 3.16Å; T82-K93 PolarHBondContact O-N 3.16Å; T82-S204 CarbonylContact C-O 3.56Å; T82-S204 VanDerWaalsContact CA-O 3.25Å; T82-S204 WeakPolarHBondContact CA-O 3.46Å; T82-S204 WeakPolarHBondContact CB-O 2.87Å |
| 83 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 142.1 | 169.3 | -167.2 | 171.8 | 0 | 0 | 0 | 109.2 | A90 E91 V92 F190 V193 L194 F198 N203 S204 I206 | I83-A90 HydrophobicContact CD1-CB 4.22Å; I83-E91 CarbonylContact C-O 3.53Å; I83-E91 WeakPolarHBondContact CA-O 3.49Å; I83-V92 HydrophobicContact CB-CG2 4.29Å; I83-V92 HydrophobicContact CD1-CG2 3.97Å; I83-V92 HydrophobicContact CG1-CG2 3.94Å; I83-F190 HydrophobicContact CD1-CB 4.08Å; I83-F190 HydrophobicContact CD1-CD1 3.78Å; I83-F190 HydrophobicContact CD1-CG 4.14Å; I83-V193 HydrophobicContact CG2-CB 4.09Å; I83-V193 HydrophobicContact CG2-CG1 3.77Å; I83-V193 HydrophobicContact CG2-CG2 4.25Å; I83-L194 HydrophobicContact CD1-CD2 4.11Å; I83-F198 HydrophobicContact CG1-CE1 4.45Å; I83-F198 HydrophobicContact CG2-CE1 4.43Å; I83-F198 HydrophobicContact CG2-CZ 3.98Å; I83-N203 CarbonylContact O-C 3.6Å; I83-N203 WeakPolarHBondContact O-CA 3.25Å; I83-N203 WeakPolarHBondContact O-CB 3.41Å; I83-S204 PolarHBondContact N-O 2.99Å; I83-S204 PolarHBondContact O-N 3.46Å; I83-I206 HydrophobicContact CB-CD1 4.08Å; I83-I206 HydrophobicContact CB-CG2 4.27Å; I83-I206 HydrophobicContact CG2-CD1 4.49Å; I83-I206 HydrophobicContact CG2-CG2 3.53Å |
| 84 | Q | 98.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 43.6 Ų | 43.6 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134.9 | 177.5 | -174.4 | 176.7 | 24.1 | 0 | 0 | 110.4 | N86 E91 P201 N202 N203 | Q84-N86 HydrophobicContact CG-CB 4.48Å; Q84-N86 PolarHBondContact O-N 3Å; Q84-E91 PolarHBondContact N-O 2.92Å; Q84-E91 PolarHBondContact O-N 2.94Å; Q84-P201 PolarHBondContact NE2-O 2.95Å; Q84-N202 WeakPolarHBondContact CA-O 3.35Å; Q84-N202 WeakPolarHBondContact CG-O 3.49Å; Q84-N203 HydrophobicContact CB-CB 4.15Å; Q84-N203 HydrophobicContact CG-CB 4.28Å |
| 85 | N | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 101.2 | 157.8 | -178.2 | -13.4 | 0 | 0 | 0 | 106.6 | G87 F198 P200 P201 N202 P262 M272 | N85-G87 PolarHBondContact O-N 3.08Å; N85-G87 PolarHBondContact OD1-N 3.35Å; N85-F198 HydrophobicContact CB-CD1 3.73Å; N85-F198 HydrophobicContact CB-CE1 3.62Å; N85-F198 HydrophobicContact CB-CG 4.33Å; N85-F198 HydrophobicContact CB-CZ 4.13Å; N85-F198 PolarHBondContact ND2-O 2.98Å; N85-P200 WeakPolarHBondContact ND2-CD 3.33Å; N85-P200 WeakPolarHBondContact O-CA 3.47Å; N85-P201 CarbonylContact O-C 3.24Å; N85-P201 WeakPolarHBondContact O-CA 3.42Å; N85-N202 PolarHBondContact N-O 2.83Å; N85-P262 PolarHBondContact ND2-O 3.07Å; N85-M272 VanDerWaalsContact OD1-CE 3.27Å; N85-M272 WeakPolarHBondContact OD1-CE 3.25Å |
| 86 | N | 98.2 | Very high | 98.1 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | trans | -85.2 | 7.5 | -176.7 | 69.4 | 12.2 | 0 | 0 | 0 | 112.7 | Q84 H88 S89 E91 | Q84-N86 HydrophobicContact CG-CB 4.48Å; Q84-N86 PolarHBondContact O-N 3Å; N86-H88 VanDerWaalsContact C-N 3.33Å; N86-H88 PolarHBondContact OD1-N 2.87Å; N86-S89 PolarHBondContact N-O 2.83Å; N86-S89 PolarHBondContact OD1-N 3.33Å; N86-S89 PolarHBondContact OD1-O 2.98Å; N86-E91 PolarHBondContact ND2-OE2 2.72Å | ||
| 87 | G | 98.2 | Very high | 98.1 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 90.1 | -12.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N85 Y263 G264 M272 | N85-G87 PolarHBondContact O-N 3.08Å; N85-G87 PolarHBondContact OD1-N 3.35Å; G87-Y263 WeakPolarHBondContact O-CD1 3.37Å; G87-G264 PolarHBondContact O-N 3.01Å; G87-M272 VanDerWaalsContact C-CE 3.5Å |
| 88 | H | 98.2 | Very high | 98.3 | Very high | 32 Ų | 32 | 39 Ų | 39 | 15% | 0.148 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -130.9 | -21.4 | -177.2 | -55.5 | -84.4 | 0 | 0 | 0 | 113.5 | W25 Y27 N86 N266 E267 N275 | W25-H88 AromaticContact CD2-CE1 3.95Å; W25-H88 AromaticContact CE2-CE1 3.78Å; W25-H88 AromaticContact CE2-NE2 3.91Å; W25-H88 AromaticContact CE3-CE1 3.98Å; W25-H88 HydrophobicContact CH2-CB 3.72Å; W25-H88 AromaticContact CH2-CD2 3.9Å; W25-H88 AromaticContact CH2-CE1 3.73Å; W25-H88 AromaticContact CH2-CG 3.43Å; W25-H88 VanDerWaalsContact CH2-CG 3.43Å; W25-H88 AromaticContact CH2-ND1 3.37Å; W25-H88 WeakPolarHBondContact CH2-ND1 3.49Å; W25-H88 HydrophobicContact CZ2-CB 4.36Å; W25-H88 AromaticContact CZ2-CD2 3.72Å; W25-H88 AromaticContact CZ2-CE1 3.67Å; W25-H88 AromaticContact CZ2-CG 3.76Å; W25-H88 AromaticContact CZ2-ND1 3.78Å; W25-H88 AromaticContact CZ2-NE2 3.68Å; W25-H88 HydrophobicContact CZ3-CB 4.41Å; W25-H88 AromaticContact CZ3-CE1 3.88Å; W25-H88 AromaticContact CZ3-ND1 3.49Å; W25-H88 WeakPolarHBondContact CZ3-ND1 3.42Å; Y27-H88 HydrophobicContact CE2-CB 4.12Å; N86-H88 VanDerWaalsContact C-N 3.33Å; N86-H88 PolarHBondContact OD1-N 2.87Å; H88-N266 PolarHBondContact CE1-ND2 3.46Å; H88-E267 IonicContact ND1-OE1 3.25Å; H88-N275 WeakPolarHBondContact O-CB 3.46Å; H88-N275 PolarHBondContact O-ND2 3.46Å |
| 89 | S | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -158.5 | 171.5 | 176.5 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | N86 F118 M272 | N86-S89 PolarHBondContact N-O 2.83Å; N86-S89 PolarHBondContact OD1-N 3.33Å; N86-S89 PolarHBondContact OD1-O 2.98Å; S89-F118 PolarHBondContact OG-N 2.94Å; S89-F118 PolarHBondContact OG-O 2.8Å; S89-M272 VanDerWaalsContact CA-SD 3.53Å |
| 90 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 107.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | I83 H117 L194 F258 L261 | I83-A90 HydrophobicContact CD1-CB 4.22Å; A90-H117 WeakPolarHBondContact O-CA 3.31Å; A90-L194 HydrophobicContact CB-CD2 4.03Å; A90-F258 HydrophobicContact CB-CE1 4.38Å; A90-L261 HydrophobicContact CB-CD2 3.84Å |
| 91 | E | 98.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 22.9 Ų | 22.9 | 16% | 0.164 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 111.6 | -174.1 | -175.2 | -176.5 | 130 | 0 | 0 | 110.7 | I83 Q84 N86 K93 Q115 H117 | I83-E91 CarbonylContact C-O 3.53Å; I83-E91 WeakPolarHBondContact CA-O 3.49Å; Q84-E91 PolarHBondContact N-O 2.92Å; Q84-E91 PolarHBondContact O-N 2.94Å; N86-E91 PolarHBondContact ND2-OE2 2.72Å; E91-K93 HydrophobicContact CG-CG 4.43Å; E91-K93 WeakPolarHBondContact OE1-CE 3.18Å; E91-K93 IonicContact OE1-NZ 2.76Å; E91-Q115 HydrophobicContact CG-CB 4.12Å; E91-Q115 HydrophobicContact CG-CG 4.35Å; E91-H117 HydrophobicContact CB-CB 4.31Å; E91-H117 HydrophobicContact CG-CB 4.38Å |
| 92 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 120.8 | 170.2 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | T81 T82 I83 F94 Q115 M116 F190 I206 I209 | T81-V92 HydrophobicContact CG2-CG1 3.39Å; T82-V92 CarbonylContact O-C 3.55Å; T82-V92 VanDerWaalsContact O-CA 3.28Å; T82-V92 WeakPolarHBondContact O-CA 3.28Å; I83-V92 HydrophobicContact CB-CG2 4.29Å; I83-V92 HydrophobicContact CD1-CG2 3.97Å; I83-V92 HydrophobicContact CG1-CG2 3.94Å; V92-F94 HydrophobicContact CG1-CE1 4.03Å; V92-F94 HydrophobicContact CG1-CE2 4.12Å; V92-F94 HydrophobicContact CG1-CZ 3.8Å; V92-Q115 CarbonylContact O-C 3.5Å; V92-Q115 WeakPolarHBondContact O-CA 3.45Å; V92-Q115 WeakPolarHBondContact O-CB 3.4Å; V92-M116 HydrophobicContact CB-CB 4.42Å; V92-M116 PolarHBondContact N-O 2.84Å; V92-M116 PolarHBondContact O-N 3.17Å; V92-F190 HydrophobicContact CG2-CD1 4.14Å; V92-F190 HydrophobicContact CG2-CE1 4.14Å; V92-I206 HydrophobicContact CG1-CD1 4.23Å; V92-I206 HydrophobicContact CG2-CD1 4.21Å; V92-I209 HydrophobicContact CG1-CG1 3.95Å; V92-I209 HydrophobicContact CG2-CG1 4.48Å |
| 93 | K | 98.8 | Very high | 98.5 | Very high | 80 Ų | 80 | 22.6 Ų | 22.6 | 35% | 0.348 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.5 | 175.5 | -67.6 | 175.6 | 175.4 | 171.5 | 0 | 109.5 | T82 E91 | T82-K93 PolarHBondContact N-O 2.88Å; T82-K93 VanDerWaalsContact N-O 3.16Å; T82-K93 PolarHBondContact O-N 3.16Å; E91-K93 HydrophobicContact CG-CG 4.43Å; E91-K93 WeakPolarHBondContact OE1-CE 3.18Å; E91-K93 IonicContact OE1-NZ 2.76Å |
| 94 | F | 98.7 | Very high | 98.5 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 7% | 0.07 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -86.2 | 148.6 | 176.7 | -64.9 | -75.1 | 0 | 0 | 0 | 110.6 | T81 V92 W99 I113 I114 M116 I209 L211 | T81-F94 HydrophobicContact CG2-CD1 4.01Å; T81-F94 HydrophobicContact CG2-CE1 4.11Å; V92-F94 HydrophobicContact CG1-CE1 4.03Å; V92-F94 HydrophobicContact CG1-CE2 4.12Å; V92-F94 HydrophobicContact CG1-CZ 3.8Å; F94-W99 AromaticContact CD1-CD1 3.57Å; F94-W99 AromaticContact CE1-CD1 3.98Å; F94-I113 HydrophobicContact CD2-CG2 3.56Å; F94-I113 HydrophobicContact CE2-CG2 3.95Å; F94-I113 HydrophobicContact CG-CG2 4.33Å; F94-I114 PolarHBondContact N-O 3.07Å; F94-M116 HydrophobicContact CE2-CB 3.81Å; F94-M116 HydrophobicContact CZ-CB 4.33Å; F94-I209 HydrophobicContact CE1-CB 3.87Å; F94-I209 HydrophobicContact CE1-CG1 4.09Å; F94-I209 HydrophobicContact CZ-CB 3.95Å; F94-I209 HydrophobicContact CZ-CG1 4.08Å; F94-L211 HydrophobicContact CE1-CD1 4.2Å; F94-L211 HydrophobicContact CE1-CG 4.42Å; F94-L211 HydrophobicContact CE2-CD1 4.01Å; F94-L211 HydrophobicContact CZ-CD1 3.75Å; F94-L211 HydrophobicContact CZ-CD2 3.98Å; F94-L211 HydrophobicContact CZ-CG 4.03Å |
| 95 | P | 98.4 | Very high | 98.4 | Very high | 10 Ų | 10 | 26.2 Ų | 26.2 | 7% | 0.065 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 156.8 | 172.2 | 13.4 | -11.9 | 0 | 0 | 0 | 112 | E79 T98 | E79-P95 HydrophobicContact CB-CB 3.37Å; E79-P95 HydrophobicContact CB-CG 3.79Å; E79-P95 HydrophobicContact CG-CB 4.34Å; E79-P95 WeakPolarHBondContact O-CG 3.15Å; E79-P95 WeakPolarHBondContact OE2-CB 3.33Å; P95-T98 WeakPolarHBondContact CB-OG1 3.11Å; P95-T98 HydrophobicContact CG-CG2 4.17Å; P95-T98 VanDerWaalsContact CG-OG1 3.3Å; P95-T98 WeakPolarHBondContact CG-OG1 3.34Å; P95-T98 WeakPolarHBondContact O-CB 3.03Å; P95-T98 PolarHBondContact O-OG1 3.39Å |
| 96 | R | 97.9 | Very high | 98.3 | Very high | 100 Ų | 100 | 30.7 Ų | 30.7 | 38% | 0.377 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 147.1 | 178.7 | -69.2 | -65.2 | -53.2 | -74.2 | -2.3 | 110.1 | T98 E112 | R96-T98 PolarHBondContact O-N 2.86Å; R96-T98 PolarHBondContact O-OG1 3.45Å; R96-E112 IonicContact CZ-OE1 3.71Å; R96-E112 IonicContact NE-OE1 2.83Å; R96-E112 PolarHBondContact NE-OE1 3.11Å; R96-E112 IonicContact NH2-OE1 3.7Å |
| 97 | N | 97.8 | Very high | 98.3 | Very high | 64 Ų | 64 | 33 Ų | 33 | 34% | 0.342 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 26.9 | 178.3 | -41 | -77.2 | 0 | 0 | 0 | 115 | N74 F100 E112 R148 | N74-N97 VanDerWaalsContact CB-O 3.27Å; N74-N97 WeakPolarHBondContact CB-O 3.16Å; N74-N97 PolarHBondContact ND2-O 3.47Å; N97-F100 HydrophobicContact CB-CZ 4.44Å; N97-E112 PolarHBondContact N-OE1 3.13Å; N97-R148 PolarHBondContact OD1-NH1 2.9Å |
| 98 | T | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -104.3 | -58.3 | -174.4 | -51.9 | 0 | 0 | 0 | 0 | 113.4 | R73 N74 S77 P95 R96 | R73-T98 CarbonylContact C-O 3.53Å; R73-T98 WeakPolarHBondContact CA-O 3.44Å; R73-T98 HydrophobicContact CG-CG2 4.24Å; R73-T98 WeakPolarHBondContact CG-O 3.49Å; N74-T98 PolarHBondContact N-O 2.91Å; S77-T98 WeakPolarHBondContact OG-CG2 3.47Å; S77-T98 PolarHBondContact OG-OG1 2.75Å; P95-T98 WeakPolarHBondContact CB-OG1 3.11Å; P95-T98 HydrophobicContact CG-CG2 4.17Å; P95-T98 VanDerWaalsContact CG-OG1 3.3Å; P95-T98 WeakPolarHBondContact CG-OG1 3.34Å; P95-T98 WeakPolarHBondContact O-CB 3.03Å; P95-T98 PolarHBondContact O-OG1 3.39Å; R96-T98 PolarHBondContact O-N 2.86Å; R96-T98 PolarHBondContact O-OG1 3.45Å |
| 99 | W | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 3% | 0.034 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 141.3 | -175 | -78.1 | 106.1 | 0 | 0 | 0 | 111.3 | I71 R73 F94 I113 D208 I209 L211 A212 | I71-W99 HydrophobicContact CG2-CE3 3.52Å; I71-W99 HydrophobicContact CG2-CZ3 3.75Å; R73-W99 HydrophobicContact CB-CD2 4.09Å; R73-W99 HydrophobicContact CB-CE3 3.81Å; R73-W99 HydrophobicContact CB-CH2 3.9Å; R73-W99 HydrophobicContact CB-CZ2 4.15Å; R73-W99 HydrophobicContact CB-CZ3 3.71Å; R73-W99 HydrophobicContact CG-CD2 3.92Å; R73-W99 HydrophobicContact CG-CE3 4.18Å; R73-W99 HydrophobicContact CG-CG 4.48Å; R73-W99 HydrophobicContact CG-CH2 4.23Å; R73-W99 HydrophobicContact CG-CZ2 3.95Å; R73-W99 HydrophobicContact CG-CZ3 4.33Å; F94-W99 AromaticContact CD1-CD1 3.57Å; F94-W99 AromaticContact CE1-CD1 3.98Å; W99-I113 HydrophobicContact CB-CB 3.9Å; W99-I113 HydrophobicContact CB-CD1 3.85Å; W99-I113 HydrophobicContact CB-CG1 4.39Å; W99-I113 HydrophobicContact CB-CG2 4.41Å; W99-I113 PolarHBondContact O-N 3.04Å; W99-D208 PolarHBondContact NE1-OD1 3.21Å; W99-D208 PolarHBondContact NE1-OD2 3.45Å; W99-D208 VanDerWaalsContact NE1-OD2 3.1Å; W99-I209 WeakPolarHBondContact CZ2-O 3.48Å; W99-L211 HydrophobicContact CB-CD1 4.14Å; W99-L211 HydrophobicContact CD2-CB 4.25Å; W99-L211 HydrophobicContact CD2-CD1 3.95Å; W99-L211 HydrophobicContact CD2-CG 4.29Å; W99-L211 HydrophobicContact CE3-CB 3.99Å; W99-L211 HydrophobicContact CE3-CD1 4.31Å; W99-L211 HydrophobicContact CG-CD1 3.89Å; W99-L211 HydrophobicContact CH2-CB 4.19Å; W99-L211 HydrophobicContact CZ2-CB 4.43Å; W99-L211 HydrophobicContact CZ3-CB 3.96Å; W99-A212 HydrophobicContact CH2-CB 4.35Å; W99-A212 HydrophobicContact CZ3-CB 4.15Å |
| 100 | F | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 157.1 | -173.7 | -58.1 | -87.4 | 0 | 0 | 0 | 112.4 | I71 Y72 N74 N97 Y109 Y111 E112 | I71-F100 WeakPolarHBondContact CA-O 3.47Å; Y72-F100 HydrophobicContact CD1-CB 4.06Å; Y72-F100 HydrophobicContact CD2-CB 4.21Å; Y72-F100 HydrophobicContact CD2-CD2 4.45Å; Y72-F100 HydrophobicContact CE1-CB 3.53Å; Y72-F100 HydrophobicContact CE2-CB 3.69Å; Y72-F100 HydrophobicContact CE2-CD2 4.07Å; Y72-F100 HydrophobicContact CE2-CG 4.11Å; Y72-F100 HydrophobicContact CG-CB 4.38Å; Y72-F100 PolarHBondContact N-O 3.02Å; Y72-F100 PolarHBondContact O-N 3.32Å; N74-F100 HydrophobicContact CB-CE2 3.95Å; N97-F100 HydrophobicContact CB-CZ 4.44Å; F100-Y109 AromaticContact CD1-CD1 3.64Å; F100-Y109 HydrophobicContact CD1-CD1 3.64Å; F100-Y109 HydrophobicContact CD1-CG 4.25Å; F100-Y109 AromaticContact CD2-CD1 3.52Å; F100-Y109 HydrophobicContact CD2-CD1 3.52Å; F100-Y109 AromaticContact CD2-CE1 3.85Å; F100-Y109 HydrophobicContact CD2-CE1 3.85Å; F100-Y109 AromaticContact CE1-CD1 3.51Å; F100-Y109 HydrophobicContact CE1-CD1 3.51Å; F100-Y109 HydrophobicContact CE1-CE1 4.48Å; F100-Y109 HydrophobicContact CE1-CG 4.04Å; F100-Y109 AromaticContact CE2-CD1 3.4Å; F100-Y109 HydrophobicContact CE2-CD1 3.4Å; F100-Y109 AromaticContact CE2-CE1 3.61Å; F100-Y109 HydrophobicContact CE2-CE1 3.61Å; F100-Y109 AromaticContact CG-CD1 3.63Å; F100-Y109 HydrophobicContact CG-CD1 3.63Å; F100-Y109 HydrophobicContact CG-CE1 4.39Å; F100-Y109 AromaticContact CZ-CD1 3.36Å; F100-Y109 HydrophobicContact CZ-CD1 3.36Å; F100-Y109 AromaticContact CZ-CE1 3.93Å; F100-Y109 HydrophobicContact CZ-CE1 3.93Å; F100-Y109 HydrophobicContact CZ-CG 4.19Å; F100-Y111 CarbonylContact C-O 3.47Å; F100-Y111 WeakPolarHBondContact CA-O 3.42Å; F100-Y111 WeakPolarHBondContact CB-O 3.42Å; F100-Y111 WeakPolarHBondContact CD1-O 3.19Å; F100-E112 HydrophobicContact CD1-CB 3.86Å; F100-E112 HydrophobicContact CD1-CG 4.29Å; F100-E112 HydrophobicContact CE1-CB 3.79Å; F100-E112 HydrophobicContact CE1-CG 3.88Å |
| 101 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 137.6 | 175.5 | -60.5 | 161.6 | 0 | 0 | 0 | 109.4 | V69 I70 I71 F103 Y111 I113 L167 | V69-I101 HydrophobicContact CG1-CG2 3.9Å; I70-I101 CarbonylContact O-C 3.36Å; I70-I101 WeakPolarHBondContact O-CA 3.46Å; I71-I101 HydrophobicContact CG1-CG1 4.1Å; I101-F103 HydrophobicContact CG2-CD1 4.21Å; I101-F103 HydrophobicContact CG2-CD2 4.12Å; I101-F103 HydrophobicContact CG2-CE1 3.8Å; I101-F103 HydrophobicContact CG2-CE2 3.7Å; I101-F103 HydrophobicContact CG2-CG 4.37Å; I101-F103 HydrophobicContact CG2-CZ 3.53Å; I101-Y111 PolarHBondContact N-O 2.84Å; I101-I113 HydrophobicContact CD1-CD1 4.05Å; I101-I113 HydrophobicContact CD1-CG1 3.82Å; I101-I113 HydrophobicContact CG1-CD1 3.72Å; I101-I113 HydrophobicContact CG1-CG1 3.89Å; I101-L167 HydrophobicContact CD1-CD1 3.65Å; I101-L167 HydrophobicContact CD1-CD2 4.29Å; I101-L167 HydrophobicContact CD1-CG 3.79Å; I101-L167 HydrophobicContact CG1-CD1 4.07Å |
| 102 | S | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.6 | 165 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | I70 D104 G105 I106 | I70-S102 PolarHBondContact N-O 2.99Å; I70-S102 PolarHBondContact O-N 3.48Å; S102-D104 PolarHBondContact OG-N 3.16Å; S102-D104 PolarHBondContact OG-OD1 3.1Å; S102-G105 PolarHBondContact OG-N 2.95Å; S102-I106 VanDerWaalsContact CB-O 3.22Å; S102-I106 WeakPolarHBondContact CB-O 3.23Å; S102-I106 PolarHBondContact OG-N 3.44Å; S102-I106 PolarHBondContact OG-O 3.13Å |
| 103 | F | 98.3 | Very high | 98.3 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 13% | 0.132 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -108.9 | -2 | 174.3 | -63.5 | -67.5 | 0 | 0 | 0 | 112.7 | K67 V69 I101 Y111 A165 L167 L240 | K67-F103 WeakPolarHBondContact CB-O 3.15Å; V69-F103 HydrophobicContact CG1-CD1 4.36Å; V69-F103 HydrophobicContact CG1-CE1 4.11Å; V69-F103 HydrophobicContact CG2-CD1 4.02Å; V69-F103 HydrophobicContact CG2-CE1 4.02Å; I101-F103 HydrophobicContact CG2-CD1 4.21Å; I101-F103 HydrophobicContact CG2-CD2 4.12Å; I101-F103 HydrophobicContact CG2-CE1 3.8Å; I101-F103 HydrophobicContact CG2-CE2 3.7Å; I101-F103 HydrophobicContact CG2-CG 4.37Å; I101-F103 HydrophobicContact CG2-CZ 3.53Å; F103-Y111 AromaticContact CD2-CD2 3.73Å; F103-Y111 HydrophobicContact CD2-CD2 3.73Å; F103-Y111 AromaticContact CD2-CE2 3.63Å; F103-Y111 HydrophobicContact CD2-CE2 3.63Å; F103-Y111 HydrophobicContact CE2-CD1 4.46Å; F103-Y111 AromaticContact CE2-CD2 3.77Å; F103-Y111 HydrophobicContact CE2-CD2 3.77Å; F103-Y111 AromaticContact CE2-CE2 3.81Å; F103-Y111 HydrophobicContact CE2-CE2 3.81Å; F103-Y111 HydrophobicContact CE2-CG 4.11Å; F103-A165 HydrophobicContact CE2-CB 4.19Å; F103-A165 HydrophobicContact CZ-CB 4.4Å; F103-L167 HydrophobicContact CE1-CD2 3.89Å; F103-L167 HydrophobicContact CZ-CD2 3.87Å; F103-L240 HydrophobicContact CE2-CD2 4.42Å |
| 104 | D | 97.3 | Very high | 98.3 | Very high | 70 Ų | 70 | 38.5 Ų | 38.5 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -124 | 0.4 | -176.4 | 59.8 | 13.9 | 0 | 0 | 0 | 113.3 | S102 I106 K110 | S102-D104 PolarHBondContact OG-N 3.16Å; S102-D104 PolarHBondContact OG-OD1 3.1Å; D104-I106 VanDerWaalsContact C-N 3.28Å; D104-I106 WeakPolarHBondContact OD1-CB 3.26Å; D104-I106 PolarHBondContact OD1-N 2.98Å; D104-K110 IonicContact OD1-NZ 2.68Å; D104-K110 VanDerWaalsContact OD2-CE 3.29Å; D104-K110 WeakPolarHBondContact OD2-CE 3.45Å; D104-K110 IonicContact OD2-NZ 2.91Å; D104-K110 PolarHBondContact OD2-NZ 2.99Å |
| 105 | G | 96.5 | Very high | 98.2 | Very high | 43 Ų | 43 | 39 Ų | 39 | 44% | 0.443 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 84.7 | -6.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S102 | S102-G105 PolarHBondContact OG-N 2.95Š|
| 106 | I | 97.7 | Very high | 98.3 | Very high | 94 Ų | 94 | 38.5 Ų | 38.5 | 48% | 0.482 | 19% | 0.194 | S | C | . | . | trans | -93.1 | 131 | 178.6 | -52.5 | 174 | 0 | 0 | 0 | 108.9 | S102 D104 D108 | S102-I106 VanDerWaalsContact CB-O 3.22Å; S102-I106 WeakPolarHBondContact CB-O 3.23Å; S102-I106 PolarHBondContact OG-N 3.44Å; S102-I106 PolarHBondContact OG-O 3.13Å; D104-I106 VanDerWaalsContact C-N 3.28Å; D104-I106 WeakPolarHBondContact OD1-CB 3.26Å; D104-I106 PolarHBondContact OD1-N 2.98Å; I106-D108 HydrophobicContact CG2-CB 3.89Å; I106-D108 PolarHBondContact O-N 3.44Å | ||
| 107 | L | 97.7 | Very high | 98.3 | Very high | 94 Ų | 94 | 34.8 Ų | 34.8 | 49% | 0.492 | 18% | 0.181 | S | C | . | . | trans | -97.2 | 59.3 | -176.9 | -50.2 | -174.7 | 0 | 0 | 0 | 111.4 | I70 Y72 | I70-L107 HydrophobicContact CD1-CD2 4.46Å; I70-L107 HydrophobicContact CG2-CD2 4.05Å; Y72-L107 HydrophobicContact CD1-CD2 3.65Å; Y72-L107 HydrophobicContact CD2-CB 4.28Å; Y72-L107 HydrophobicContact CD2-CD2 4.49Å; Y72-L107 HydrophobicContact CE1-CB 4.37Å; Y72-L107 HydrophobicContact CE1-CD2 3.77Å; Y72-L107 HydrophobicContact CE2-CB 3.92Å; Y72-L107 HydrophobicContact CG-CD2 4.02Å | ||
| 108 | D | 98 | Very high | 98.4 | Very high | 74 Ų | 74 | 31.7 Ų | 31.7 | 40% | 0.396 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -114.6 | 30.1 | -172.9 | 63.2 | -18.7 | 0 | 0 | 0 | 113.2 | Y72 I106 K110 | Y72-D108 PolarHBondContact OH-N 3.16Å; I106-D108 HydrophobicContact CG2-CB 3.89Å; I106-D108 PolarHBondContact O-N 3.44Å; D108-K110 VanDerWaalsContact C-N 3.31Å; D108-K110 PolarHBondContact O-N 3.13Å; D108-K110 WeakPolarHBondContact OD1-CG 3.34Å; D108-K110 IonicContact OD1-NZ 3.64Å; D108-K110 PolarHBondContact OD1-NZ 2.89Å; D108-K110 VanDerWaalsContact OD2-CE 3.29Å; D108-K110 WeakPolarHBondContact OD2-CE 3.36Å; D108-K110 IonicContact OD2-NZ 3.56Å; D108-K110 PolarHBondContact OD2-NZ 2.97Å |
| 109 | Y | 97.9 | Very high | 98.4 | Very high | 104 Ų | 104 | 31.8 Ų | 31.8 | 41% | 0.408 | 16% | 0.164 | S | C | . | . | trans | 60.8 | 28.3 | 170.3 | -47.2 | -70.6 | 0 | 0 | 0 | 115.1 | Y72 F100 Y111 R148 | Y72-Y109 AromaticContact CE2-CD1 3.95Å; Y72-Y109 HydrophobicContact CE2-CD1 3.95Å; Y72-Y109 AromaticContact CE2-CE1 3.91Å; Y72-Y109 HydrophobicContact CE2-CE1 3.91Å; Y72-Y109 VanDerWaalsContact OH-CA 3.23Å; Y72-Y109 WeakPolarHBondContact OH-CA 3.44Å; Y72-Y109 PolarHBondContact OH-N 2.79Å; F100-Y109 AromaticContact CD1-CD1 3.64Å; F100-Y109 HydrophobicContact CD1-CD1 3.64Å; F100-Y109 HydrophobicContact CD1-CG 4.25Å; F100-Y109 AromaticContact CD2-CD1 3.52Å; F100-Y109 HydrophobicContact CD2-CD1 3.52Å; F100-Y109 AromaticContact CD2-CE1 3.85Å; F100-Y109 HydrophobicContact CD2-CE1 3.85Å; F100-Y109 AromaticContact CE1-CD1 3.51Å; F100-Y109 HydrophobicContact CE1-CD1 3.51Å; F100-Y109 HydrophobicContact CE1-CE1 4.48Å; F100-Y109 HydrophobicContact CE1-CG 4.04Å; F100-Y109 AromaticContact CE2-CD1 3.4Å; F100-Y109 HydrophobicContact CE2-CD1 3.4Å; F100-Y109 AromaticContact CE2-CE1 3.61Å; F100-Y109 HydrophobicContact CE2-CE1 3.61Å; F100-Y109 AromaticContact CG-CD1 3.63Å; F100-Y109 HydrophobicContact CG-CD1 3.63Å; F100-Y109 HydrophobicContact CG-CE1 4.39Å; F100-Y109 AromaticContact CZ-CD1 3.36Å; F100-Y109 HydrophobicContact CZ-CD1 3.36Å; F100-Y109 AromaticContact CZ-CE1 3.93Å; F100-Y109 HydrophobicContact CZ-CE1 3.93Å; F100-Y109 HydrophobicContact CZ-CG 4.19Å; Y109-Y111 VanDerWaalsContact C-N 3.32Å; Y109-Y111 PolarHBondContact O-N 3.01Å; Y109-R148 WeakPolarHBondContact O-CB 3.47Å; Y109-R148 VanDerWaalsContact O-CD 3.32Å; Y109-R148 WeakPolarHBondContact O-CD 3.33Å | ||
| 110 | K | 98.4 | Very high | 98.4 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -60.3 | -35.9 | -177.8 | -73.7 | -174.3 | -171 | 87.8 | 0 | 114.8 | D104 D108 R147 R148 Q149 | D104-K110 IonicContact OD1-NZ 2.68Å; D104-K110 VanDerWaalsContact OD2-CE 3.29Å; D104-K110 WeakPolarHBondContact OD2-CE 3.45Å; D104-K110 IonicContact OD2-NZ 2.91Å; D104-K110 PolarHBondContact OD2-NZ 2.99Å; D108-K110 VanDerWaalsContact C-N 3.31Å; D108-K110 PolarHBondContact O-N 3.13Å; D108-K110 WeakPolarHBondContact OD1-CG 3.34Å; D108-K110 IonicContact OD1-NZ 3.64Å; D108-K110 PolarHBondContact OD1-NZ 2.89Å; D108-K110 VanDerWaalsContact OD2-CE 3.29Å; D108-K110 WeakPolarHBondContact OD2-CE 3.36Å; D108-K110 IonicContact OD2-NZ 3.56Å; D108-K110 PolarHBondContact OD2-NZ 2.97Å; K110-R147 CarbonylContact O-C 3.53Å; K110-R148 PolarHBondContact O-N 3.44Å; K110-Q149 HydrophobicContact CB-CB 4.29Å; K110-Q149 HydrophobicContact CG-CB 4.22Å; K110-Q149 HydrophobicContact CG-CG 4.36Å; K110-Q149 PolarHBondContact O-N 2.97Å; K110-Q149 VanDerWaalsContact O-N 3.09Å |
| 111 | Y | 98.8 | Very high | 98.4 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 9% | 0.09 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 122.4 | 177.3 | -72.7 | -88.3 | 0 | 0 | 0 | 109.6 | F100 I101 F103 Y109 F146 R147 A165 | F100-Y111 CarbonylContact C-O 3.47Å; F100-Y111 WeakPolarHBondContact CA-O 3.42Å; F100-Y111 WeakPolarHBondContact CB-O 3.42Å; F100-Y111 WeakPolarHBondContact CD1-O 3.19Å; I101-Y111 PolarHBondContact N-O 2.84Å; F103-Y111 AromaticContact CD2-CD2 3.73Å; F103-Y111 HydrophobicContact CD2-CD2 3.73Å; F103-Y111 AromaticContact CD2-CE2 3.63Å; F103-Y111 HydrophobicContact CD2-CE2 3.63Å; F103-Y111 HydrophobicContact CE2-CD1 4.46Å; F103-Y111 AromaticContact CE2-CD2 3.77Å; F103-Y111 HydrophobicContact CE2-CD2 3.77Å; F103-Y111 AromaticContact CE2-CE2 3.81Å; F103-Y111 HydrophobicContact CE2-CE2 3.81Å; F103-Y111 HydrophobicContact CE2-CG 4.11Å; Y109-Y111 VanDerWaalsContact C-N 3.32Å; Y109-Y111 PolarHBondContact O-N 3.01Å; Y111-F146 WeakPolarHBondContact CA-O 3.4Å; Y111-R147 HydrophobicContact CD1-CB 4.15Å; Y111-R147 HydrophobicContact CE1-CB 3.67Å; Y111-R147 HydrophobicContact CE1-CG 3.88Å; Y111-A165 HydrophobicContact CD1-CB 3.58Å; Y111-A165 HydrophobicContact CE1-CB 3.42Å; Y111-A165 VanDerWaalsContact CE1-CB 3.42Å |
| 112 | E | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126 | 178.7 | 175.7 | -179.4 | 154.1 | 0 | 0 | 109 | R96 N97 F100 S145 F146 R148 | R96-E112 IonicContact CZ-OE1 3.71Å; R96-E112 IonicContact NE-OE1 2.83Å; R96-E112 PolarHBondContact NE-OE1 3.11Å; R96-E112 IonicContact NH2-OE1 3.7Å; N97-E112 PolarHBondContact N-OE1 3.13Å; F100-E112 HydrophobicContact CD1-CB 3.86Å; F100-E112 HydrophobicContact CD1-CG 4.29Å; F100-E112 HydrophobicContact CE1-CB 3.79Å; F100-E112 HydrophobicContact CE1-CG 3.88Å; E112-S145 CarbonylContact O-C 3.51Å; E112-S145 WeakPolarHBondContact O-CA 3.47Å; E112-S145 WeakPolarHBondContact O-CB 3.47Å; E112-F146 HydrophobicContact CB-CD1 4.07Å; E112-F146 HydrophobicContact CB-CE1 3.48Å; E112-F146 VanDerWaalsContact CB-CE1 3.48Å; E112-F146 HydrophobicContact CB-CZ 3.89Å; E112-F146 VanDerWaalsContact CD-CE1 3.49Å; E112-F146 HydrophobicContact CG-CD1 4.48Å; E112-F146 HydrophobicContact CG-CE1 3.64Å; E112-F146 HydrophobicContact CG-CZ 4.2Å; E112-F146 PolarHBondContact N-O 3.14Å; E112-F146 WeakPolarHBondContact O-CD1 3.45Å; E112-F146 PolarHBondContact O-N 2.91Å; E112-F146 WeakPolarHBondContact OE2-CZ 3.35Å; E112-R148 HydrophobicContact CB-CB 4.22Å; E112-R148 WeakPolarHBondContact OE2-CD 3.02Å; E112-R148 IonicContact OE2-CZ 3.55Å; E112-R148 IonicContact OE2-NH1 2.7Å; E112-R148 PolarHBondContact OE2-NH1 3.24Å |
| 113 | I | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.6 | -179.8 | -68.7 | 163.7 | 0 | 0 | 0 | 109.1 | I71 F94 W99 I101 I143 L211 | I71-I113 HydrophobicContact CG2-CD1 4.11Å; F94-I113 HydrophobicContact CD2-CG2 3.56Å; F94-I113 HydrophobicContact CE2-CG2 3.95Å; F94-I113 HydrophobicContact CG-CG2 4.33Å; W99-I113 HydrophobicContact CB-CB 3.9Å; W99-I113 HydrophobicContact CB-CD1 3.85Å; W99-I113 HydrophobicContact CB-CG1 4.39Å; W99-I113 HydrophobicContact CB-CG2 4.41Å; W99-I113 PolarHBondContact O-N 3.04Å; I101-I113 HydrophobicContact CD1-CD1 4.05Å; I101-I113 HydrophobicContact CD1-CG1 3.82Å; I101-I113 HydrophobicContact CG1-CD1 3.72Å; I101-I113 HydrophobicContact CG1-CG1 3.89Å; I113-I143 HydrophobicContact CB-CG2 4.42Å; I113-I143 HydrophobicContact CD1-CG2 3.79Å; I113-I143 HydrophobicContact CG1-CG2 3.8Å; I113-I143 HydrophobicContact CG2-CG2 3.73Å; I113-L211 HydrophobicContact CD1-CD1 3.76Å; I113-L211 HydrophobicContact CG2-CD1 4.22Å |
| 114 | I | 98.7 | Very high | 98.4 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 20% | 0.195 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -52.7 | -178.7 | -57.4 | 163.3 | 0 | 0 | 0 | 109.7 | F94 V144 F146 P154 L164 | F94-I114 PolarHBondContact N-O 3.07Å; I114-V144 HydrophobicContact CD1-CG1 4.46Å; I114-V144 PolarHBondContact N-O 2.57Å; I114-F146 HydrophobicContact CD1-CB 4.03Å; I114-F146 HydrophobicContact CD1-CD1 3.87Å; I114-F146 HydrophobicContact CD1-CG 4.39Å; I114-F146 HydrophobicContact CG1-CD1 3.74Å; I114-F146 HydrophobicContact CG1-CE1 4.43Å; I114-P154 HydrophobicContact CD1-CB 3.78Å; I114-P154 HydrophobicContact CD1-CG 4.22Å; I114-P154 HydrophobicContact CG1-CB 4.09Å; I114-P154 HydrophobicContact CG1-CG 4Å; I114-L164 HydrophobicContact CD1-CD2 4.49Å |
| 115 | Q | 98.7 | Very high | 98.4 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 163.7 | -171.3 | 57.3 | 86 | -18.6 | 0 | 0 | 111.2 | E91 V92 H117 V144 | E91-Q115 HydrophobicContact CG-CB 4.12Å; E91-Q115 HydrophobicContact CG-CG 4.35Å; V92-Q115 CarbonylContact O-C 3.5Å; V92-Q115 WeakPolarHBondContact O-CA 3.45Å; V92-Q115 WeakPolarHBondContact O-CB 3.4Å; Q115-H117 PolarHBondContact NE2-CE1 3.39Å; Q115-H117 PolarHBondContact NE2-ND1 3.25Å; Q115-H117 PolarHBondContact OE1-ND1 2.86Å; Q115-V144 HydrophobicContact CG-CB 4.15Å; Q115-V144 HydrophobicContact CG-CG2 4.46Å; Q115-V144 PolarHBondContact N-O 2.99Å; Q115-V144 VanDerWaalsContact NE2-CG2 3.28Å; Q115-V144 PolarHBondContact O-N 3.48Å |
| 116 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131.9 | 165.2 | -180 | 176.7 | -169.1 | 0 | 0 | 110.1 | V92 F94 F118 H142 I143 Y187 L211 L214 | V92-M116 HydrophobicContact CB-CB 4.42Å; V92-M116 PolarHBondContact N-O 2.84Å; V92-M116 PolarHBondContact O-N 3.17Å; F94-M116 HydrophobicContact CE2-CB 3.81Å; F94-M116 HydrophobicContact CZ-CB 4.33Å; M116-F118 HydrophobicContact CE-CE1 3.65Å; M116-F118 HydrophobicContact CE-CZ 3.63Å; M116-F118 HydrophobicContact CG-CE2 4.3Å; M116-F118 HydrophobicContact CG-CZ 4.19Å; M116-F118 HydrophobicContact SD-CZ 3.98Å; M116-H142 VanDerWaalsContact CA-O 3.23Å; M116-H142 WeakPolarHBondContact CA-O 3.29Å; M116-I143 HydrophobicContact CB-CG1 4.38Å; M116-I143 HydrophobicContact CE-CG1 4.09Å; M116-I143 HydrophobicContact CG-CG1 4Å; M116-I143 HydrophobicContact SD-CD1 4.48Å; M116-I143 HydrophobicContact SD-CG1 3.88Å; M116-Y187 HydrophobicContact CE-CE1 3.84Å; M116-Y187 WeakPolarHBondContact CE-OH 3.42Å; M116-Y187 HydrophobicContact SD-CE1 3.85Å; M116-L211 HydrophobicContact SD-CD2 4.05Å; M116-L214 HydrophobicContact CE-CD2 3.88Å; M116-L214 HydrophobicContact SD-CD2 4.23Å |
| 117 | H | 98.9 | Very high | 98.6 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 10% | 0.102 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 173.6 | 175.8 | 63.8 | -75.9 | 0 | 0 | 0 | 111.2 | A90 E91 Q115 H119 G141 H142 | A90-H117 WeakPolarHBondContact O-CA 3.31Å; E91-H117 HydrophobicContact CB-CB 4.31Å; E91-H117 HydrophobicContact CG-CB 4.38Å; Q115-H117 PolarHBondContact NE2-CE1 3.39Å; Q115-H117 PolarHBondContact NE2-ND1 3.25Å; Q115-H117 PolarHBondContact OE1-ND1 2.86Å; H117-H119 AromaticContact CD2-NE2 3.28Å; H117-H119 PolarHBondContact CD2-NE2 3.06Å; H117-H119 VanDerWaalsContact CD2-NE2 3.28Å; H117-H119 AromaticContact NE2-NE2 3.3Å; H117-H119 PolarHBondContact NE2-NE2 3.4Å; H117-G141 CarbonylContact O-C 3.55Å; H117-G141 WeakPolarHBondContact O-CA 3.34Å; H117-H142 WeakPolarHBondContact CE1-CB 3.27Å; H117-H142 PolarHBondContact N-O 2.86Å; H117-H142 AromaticContact NE2-CG 3.93Å; H117-H142 AromaticContact NE2-ND1 3.46Å; H117-H142 PolarHBondContact NE2-ND1 3.14Å; H117-H142 PolarHBondContact O-N 3.37Å |
| 118 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 146.6 | -167.6 | -64 | -88.2 | 0 | 0 | 0 | 112.7 | S89 M116 W120 L139 E140 Y187 F190 F258 N275 | S89-F118 PolarHBondContact OG-N 2.94Å; S89-F118 PolarHBondContact OG-O 2.8Å; M116-F118 HydrophobicContact CE-CE1 3.65Å; M116-F118 HydrophobicContact CE-CZ 3.63Å; M116-F118 HydrophobicContact CG-CE2 4.3Å; M116-F118 HydrophobicContact CG-CZ 4.19Å; M116-F118 HydrophobicContact SD-CZ 3.98Å; F118-W120 HydrophobicContact CB-CE3 3.91Å; F118-W120 HydrophobicContact CB-CZ3 3.81Å; F118-W120 VanDerWaalsContact O-CZ3 3.25Å; F118-W120 WeakPolarHBondContact O-CZ3 3.35Å; F118-L139 HydrophobicContact CB-CD1 3.68Å; F118-L139 HydrophobicContact CD1-CD1 3.66Å; F118-L139 HydrophobicContact CD1-CD2 4.13Å; F118-L139 HydrophobicContact CD1-CG 4.2Å; F118-L139 HydrophobicContact CG-CD1 4.1Å; F118-E140 CarbonylContact C-O 3.59Å; F118-E140 WeakPolarHBondContact CA-O 3.22Å; F118-Y187 HydrophobicContact CE1-CE1 4.41Å; F118-Y187 HydrophobicContact CE1-CE2 4.11Å; F118-Y187 AromaticContact CE1-CZ 3.84Å; F118-Y187 HydrophobicContact CZ-CD1 4.47Å; F118-Y187 AromaticContact CZ-CE1 3.97Å; F118-Y187 HydrophobicContact CZ-CE1 3.97Å; F118-Y187 HydrophobicContact CZ-CE2 4.21Å; F118-Y187 AromaticContact CZ-CZ 3.85Å; F118-F190 HydrophobicContact CE1-CZ 4.32Å; F118-F190 AromaticContact CE2-CE1 3.66Å; F118-F190 HydrophobicContact CE2-CE1 3.66Å; F118-F190 AromaticContact CE2-CZ 3.67Å; F118-F190 HydrophobicContact CE2-CZ 3.67Å; F118-F190 AromaticContact CZ-CE1 3.78Å; F118-F190 HydrophobicContact CZ-CE1 3.78Å; F118-F190 AromaticContact CZ-CZ 3.48Å; F118-F190 HydrophobicContact CZ-CZ 3.48Å; F118-F190 VanDerWaalsContact CZ-CZ 3.48Å; F118-F258 HydrophobicContact CB-CD1 4.35Å; F118-F258 HydrophobicContact CB-CE1 3.73Å; F118-F258 HydrophobicContact CB-CZ 4.34Å; F118-F258 HydrophobicContact CD1-CE1 4.15Å; F118-F258 AromaticContact CD1-CZ 3.91Å; F118-F258 HydrophobicContact CD1-CZ 3.91Å; F118-F258 AromaticContact CD2-CE1 3.68Å; F118-F258 HydrophobicContact CD2-CE1 3.68Å; F118-F258 AromaticContact CD2-CZ 3.99Å; F118-F258 HydrophobicContact CD2-CZ 3.99Å; F118-F258 HydrophobicContact CE1-CZ 4.16Å; F118-F258 HydrophobicContact CE2-CE1 4.33Å; F118-F258 HydrophobicContact CE2-CZ 4.26Å; F118-F258 AromaticContact CG-CE1 3.58Å; F118-F258 HydrophobicContact CG-CE1 3.58Å; F118-F258 AromaticContact CG-CZ 3.81Å; F118-F258 HydrophobicContact CG-CZ 3.81Å; F118-F258 HydrophobicContact CZ-CZ 4.34Å; F118-N275 PolarHBondContact O-ND2 3.02Å; F118-N275 VanDerWaalsContact O-ND2 3.12Å |
| 119 | H | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.3 | 172.6 | -58.5 | -90.8 | 0 | 0 | 0 | 108.9 | H117 G127 E129 L139 E140 H142 N275 F276 | H117-H119 AromaticContact CD2-NE2 3.28Å; H117-H119 PolarHBondContact CD2-NE2 3.06Å; H117-H119 VanDerWaalsContact CD2-NE2 3.28Å; H117-H119 AromaticContact NE2-NE2 3.3Å; H117-H119 PolarHBondContact NE2-NE2 3.4Å; H119-G127 CarbonylContact C-O 3.28Å; H119-G127 VanDerWaalsContact C-O 3.24Å; H119-E129 HydrophobicContact CB-CG 3.75Å; H119-E129 IonicContact CD2-OE2 2.8Å; H119-E129 IonicContact CE1-OE1 3.27Å; H119-E129 IonicContact CE1-OE2 2.74Å; H119-E129 PolarHBondContact CE1-OE2 2.92Å; H119-E129 VanDerWaalsContact CG-CG 3.45Å; H119-E129 IonicContact CG-OE2 3.99Å; H119-E129 IonicContact ND1-OE1 3.74Å; H119-E129 IonicContact ND1-OE2 3.12Å; H119-E129 IonicContact NE2-OE2 2.76Å; H119-E129 PolarHBondContact NE2-OE2 3.26Å; H119-E129 VanDerWaalsContact NE2-OE2 3.13Å; H119-L139 CarbonylContact O-C 3.46Å; H119-L139 VanDerWaalsContact O-CA 3.28Å; H119-L139 WeakPolarHBondContact O-CA 3.34Å; H119-L139 WeakPolarHBondContact O-CD1 3.48Å; H119-E140 PolarHBondContact N-O 3.08Å; H119-E140 PolarHBondContact O-N 2.92Å; H119-H142 AromaticContact CD2-CE1 3.42Å; H119-H142 PolarHBondContact CD2-CE1 3.35Å; H119-H142 VanDerWaalsContact CD2-CE1 3.42Å; H119-H142 AromaticContact CD2-ND1 3.3Å; H119-H142 PolarHBondContact CD2-ND1 3.33Å; H119-H142 VanDerWaalsContact CD2-ND1 3.3Å; H119-H142 AromaticContact NE2-CE1 3.47Å; H119-H142 PolarHBondContact NE2-CE1 2.68Å; H119-H142 AromaticContact NE2-ND1 3.07Å; H119-H142 PolarHBondContact NE2-ND1 3.2Å; H119-N275 PolarHBondContact ND1-O 2.76Å; H119-F276 HydrophobicContact CB-CB 4.31Å |
| 120 | W | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 161.9 | -176.9 | 61.7 | 95.7 | 0 | 0 | 0 | 112.7 | F118 G127 P138 L139 I255 F258 L261 M272 D274 N275 | F118-W120 HydrophobicContact CB-CE3 3.91Å; F118-W120 HydrophobicContact CB-CZ3 3.81Å; F118-W120 VanDerWaalsContact O-CZ3 3.25Å; F118-W120 WeakPolarHBondContact O-CZ3 3.35Å; W120-G127 PolarHBondContact N-O 2.8Å; W120-P138 WeakPolarHBondContact CA-O 3.5Å; W120-P138 WeakPolarHBondContact CB-O 3.09Å; W120-L139 HydrophobicContact CB-CD1 4.13Å; W120-L139 HydrophobicContact CE3-CD1 4.42Å; W120-I255 HydrophobicContact CB-CD1 4Å; W120-F258 HydrophobicContact CD2-CB 3.81Å; W120-F258 HydrophobicContact CD2-CD1 4.18Å; W120-F258 HydrophobicContact CD2-CG 4.31Å; W120-F258 HydrophobicContact CE3-CB 4.29Å; W120-F258 AromaticContact CE3-CD1 3.78Å; W120-F258 HydrophobicContact CE3-CD1 3.78Å; W120-F258 HydrophobicContact CE3-CG 4.32Å; W120-F258 HydrophobicContact CG-CB 4.08Å; W120-F258 HydrophobicContact CH2-CB 4.46Å; W120-F258 AromaticContact CH2-CD1 3.85Å; W120-F258 HydrophobicContact CH2-CD1 3.85Å; W120-F258 HydrophobicContact CZ2-CB 3.99Å; W120-F258 HydrophobicContact CZ2-CD1 4.24Å; W120-F258 WeakPolarHBondContact CZ2-O 3.37Å; W120-F258 AromaticContact CZ3-CD1 3.63Å; W120-F258 HydrophobicContact CZ3-CD1 3.63Å; W120-F258 HydrophobicContact CZ3-CE1 4.26Å; W120-L261 HydrophobicContact CH2-CD2 4.49Å; W120-M272 HydrophobicContact CH2-CG 3.78Å; W120-M272 HydrophobicContact CH2-SD 3.25Å; W120-M272 WeakPolarHBondContact CH2-SD 3.24Å; W120-M272 HydrophobicContact CZ2-CB 3.75Å; W120-M272 HydrophobicContact CZ2-CG 3.3Å; W120-M272 HydrophobicContact CZ2-SD 3.41Å; W120-M272 WeakPolarHBondContact CZ2-SD 3.36Å; W120-M272 HydrophobicContact CZ3-SD 4.35Å; W120-M272 PolarHBondContact NE1-O 3.08Å; W120-D274 WeakPolarHBondContact O-CA 3.34Å; W120-D274 PolarHBondContact O-N 2.73Å; W120-N275 VanDerWaalsContact CZ3-ND2 3.32Å; W120-N275 WeakPolarHBondContact CZ3-ND2 3.47Å; W120-N275 PolarHBondContact N-OD1 2.8Å; W120-N275 PolarHBondContact O-N 3.43Å; W120-N275 PolarHBondContact O-OD1 3.43Å; W120-N275 VanDerWaalsContact O-OD1 3.11Å |
| 121 | G | 98.7 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -99.9 | 160.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T123 R126 P138 R259 D274 | G121-T123 PolarHBondContact O-N 2.75Å; G121-R126 VanDerWaalsContact CA-O 3.24Å; G121-R126 WeakPolarHBondContact CA-O 3.23Å; G121-R126 PolarHBondContact N-O 3.48Å; G121-P138 PolarHBondContact N-O 3.05Å; G121-R259 PolarHBondContact O-NE 2.83Å; G121-D274 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 122 | N | 98.6 | Very high | 98.8 | Very high | 56 Ų | 56 | 23.2 Ų | 23.2 | 30% | 0.299 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -63.3 | -27.3 | 167.1 | -72.9 | -15.1 | 0 | 0 | 0 | 112.3 | R259 Q269 G273 D274 | N122-R259 PolarHBondContact O-NE 3.19Å; N122-Q269 PolarHBondContact ND2-NE2 2.8Å; N122-Q269 PolarHBondContact ND2-OE1 3.37Å; N122-Q269 PolarHBondContact OD1-NE2 3.37Å; N122-G273 WeakPolarHBondContact OD1-CA 3.2Å; N122-D274 VanDerWaalsContact CG-OD2 3.32Å; N122-D274 PolarHBondContact N-OD1 3.06Å; N122-D274 PolarHBondContact ND2-OD2 3.4Å |
| 123 | T | 98.6 | Very high | 98.7 | Very high | 63 Ų | 63 | 27.3 Ų | 27.3 | 39% | 0.387 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -122.9 | 162.3 | -178.7 | 51.1 | 0 | 0 | 0 | 0 | 111.1 | G121 D125 R126 R259 | G121-T123 PolarHBondContact O-N 2.75Å; T123-D125 WeakPolarHBondContact CB-OD1 3.24Å; T123-D125 PolarHBondContact O-N 3.03Å; T123-D125 PolarHBondContact OG1-OD1 3.43Å; T123-R126 VanDerWaalsContact O-O 3.09Å; T123-R259 PolarHBondContact O-NH2 3.29Å |
| 124 | D | 98.6 | Very high | 98.7 | Very high | 49 Ų | 49 | 29.7 Ų | 29.7 | 26% | 0.262 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.5 | -173.1 | -69.1 | -4.1 | 0 | 0 | 0 | 113.6 | P138 I173 R252 R259 | D124-P138 WeakPolarHBondContact O-CB 3.42Å; D124-I173 HydrophobicContact CB-CD1 3.77Å; D124-R252 IonicContact OD2-CZ 3.3Å; D124-R252 IonicContact OD2-NE 3.8Å; D124-R252 PolarHBondContact OD2-NE 2.87Å; D124-R252 IonicContact OD2-NH2 2.64Å; D124-R252 PolarHBondContact OD2-NH2 3Å; D124-R259 IonicContact OD1-CZ 3.88Å; D124-R259 VanDerWaalsContact OD1-CZ 3.25Å; D124-R259 IonicContact OD1-NH1 3.82Å; D124-R259 PolarHBondContact OD1-NH1 3.34Å; D124-R259 IonicContact OD1-NH2 3.54Å; D124-R259 PolarHBondContact OD1-NH2 2.96Å |
| 125 | D | 98.4 | Very high | 98.7 | Very high | 118 Ų | 118 | 33 Ų | 33 | 63% | 0.631 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 2.4 | -176.5 | 65.6 | -23.9 | 0 | 0 | 0 | 114.1 | T123 | T123-D125 WeakPolarHBondContact CB-OD1 3.24Å; T123-D125 PolarHBondContact O-N 3.03Å; T123-D125 PolarHBondContact OG1-OD1 3.43Å |
| 126 | R | 98.6 | Very high | 98.7 | Very high | 89 Ų | 89 | 35 Ų | 35 | 34% | 0.336 | 18% | 0.184 | S | C | . | . | trans | -150.3 | 162.7 | 178.8 | 72.3 | -169 | -164.8 | -159.5 | -3.5 | 111.7 | G121 T123 F137 P138 D274 F276 | G121-R126 VanDerWaalsContact CA-O 3.24Å; G121-R126 WeakPolarHBondContact CA-O 3.23Å; G121-R126 PolarHBondContact N-O 3.48Å; T123-R126 VanDerWaalsContact O-O 3.09Å; R126-F137 CarbonylContact C-O 3.48Å; R126-F137 VanDerWaalsContact C-O 3.28Å; R126-P138 WeakPolarHBondContact O-CA 3.25Å; R126-D274 IonicContact CZ-OD1 2.76Å; R126-D274 IonicContact CZ-OD2 3.65Å; R126-D274 IonicContact NE-OD1 3.56Å; R126-D274 PolarHBondContact NE-OD1 3.46Å; R126-D274 IonicContact NE-OD2 3.21Å; R126-D274 VanDerWaalsContact NH2-CG 3.25Å; R126-D274 IonicContact NH2-OD1 2.91Å; R126-D274 PolarHBondContact NH2-OD1 2.82Å; R126-D274 IonicContact NH2-OD2 3.35Å; R126-D274 PolarHBondContact NH2-OD2 2.91Å; R126-F276 HydrophobicContact CB-CE1 4.47Å; R126-F276 HydrophobicContact CB-CZ 4.3Å; R126-F276 HydrophobicContact CG-CE1 4.2Å; R126-F276 HydrophobicContact CG-CZ 4.21Å | ||
| 127 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | 150.1 | -34.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H119 W120 F137 F276 | H119-G127 CarbonylContact C-O 3.28Å; H119-G127 VanDerWaalsContact C-O 3.24Å; W120-G127 PolarHBondContact N-O 2.8Å; G127-F137 CarbonylContact C-O 3.46Å; G127-F137 WeakPolarHBondContact CA-O 3.47Å; G127-F137 PolarHBondContact N-O 3.16Å; G127-F137 VanDerWaalsContact N-O 3.1Å; G127-F276 WeakPolarHBondContact O-CD1 3.23Å | ||
| 128 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -66.1 | 142.8 | 172.4 | 66.3 | 0 | 0 | 0 | 0 | 111.2 | H130 R136 F137 E140 | S128-H130 VanDerWaalsContact CB-O 3.29Å; S128-H130 WeakPolarHBondContact CB-O 3.31Å; S128-H130 PolarHBondContact OG-O 2.86Å; S128-R136 PolarHBondContact O-NH1 2.95Å; S128-F137 PolarHBondContact N-O 3.43Å; S128-F137 PolarHBondContact OG-N 3.06Å; S128-E140 WeakPolarHBondContact CB-OE2 3.44Å | ||
| 129 | E | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -72.6 | -54.8 | 172.5 | -58.3 | -142.2 | 85.6 | 0 | 0 | 108.7 | P52 H119 R136 E140 H142 T231 F276 R277 I279 | P52-E129 VanDerWaalsContact CB-C 3.41Å; P52-E129 HydrophobicContact CB-CB 3.72Å; P52-E129 WeakPolarHBondContact CB-O 3.4Å; P52-E129 HydrophobicContact CG-CB 3.79Å; P52-E129 WeakPolarHBondContact CG-O 3.21Å; H119-E129 HydrophobicContact CB-CG 3.75Å; H119-E129 IonicContact CD2-OE2 2.8Å; H119-E129 IonicContact CE1-OE1 3.27Å; H119-E129 IonicContact CE1-OE2 2.74Å; H119-E129 PolarHBondContact CE1-OE2 2.92Å; H119-E129 VanDerWaalsContact CG-CG 3.45Å; H119-E129 IonicContact CG-OE2 3.99Å; H119-E129 IonicContact ND1-OE1 3.74Å; H119-E129 IonicContact ND1-OE2 3.12Å; H119-E129 IonicContact NE2-OE2 2.76Å; H119-E129 PolarHBondContact NE2-OE2 3.26Å; H119-E129 VanDerWaalsContact NE2-OE2 3.13Å; E129-R136 PolarHBondContact O-NH1 2.9Å; E129-E140 WeakPolarHBondContact CA-OE2 3.37Å; E129-E140 PolarHBondContact N-OE2 3.42Å; E129-H142 IonicContact OE2-CE1 3.69Å; E129-H142 PolarHBondContact OE2-CE1 3.46Å; E129-H142 IonicContact OE2-ND1 3.84Å; E129-T231 WeakPolarHBondContact OE2-CB 3.22Å; E129-T231 VanDerWaalsContact OE2-CG2 3.26Å; E129-T231 WeakPolarHBondContact OE2-CG2 3.4Å; E129-T231 PolarHBondContact OE2-OG1 3.39Å; E129-F276 HydrophobicContact CG-CB 3.8Å; E129-R277 VanDerWaalsContact OE1-CB 3.25Å; E129-R277 WeakPolarHBondContact OE1-CB 3.34Å; E129-R277 PolarHBondContact OE1-N 3.38Å; E129-I279 WeakPolarHBondContact O-CD1 3.49Å |
| 130 | H | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -73.3 | 151.7 | 174 | -72.4 | -141 | 0 | 0 | 0 | 110.7 | P52 L55 S128 E140 M170 Y226 W241 V243 | P52-H130 WeakPolarHBondContact CB-CD2 3.39Å; L55-H130 HydrophobicContact CD1-CB 4.15Å; S128-H130 VanDerWaalsContact CB-O 3.29Å; S128-H130 WeakPolarHBondContact CB-O 3.31Å; S128-H130 PolarHBondContact OG-O 2.86Å; H130-E140 IonicContact CD2-OE1 3.72Å; H130-E140 IonicContact CG-OE1 3.09Å; H130-E140 PolarHBondContact N-OE2 2.88Å; H130-M170 HydrophobicContact CB-CE 3.58Å; H130-Y226 AromaticContact CE1-CE1 3.54Å; H130-Y226 AromaticContact CE1-CZ 3.68Å; H130-Y226 PolarHBondContact CE1-OH 3.39Å; H130-Y226 PolarHBondContact NE2-OH 2.04Å; H130-W241 AromaticContact CE1-CE3 3.79Å; H130-W241 AromaticContact NE2-CD2 3.95Å; H130-W241 AromaticContact NE2-CE3 3.76Å; H130-W241 AromaticContact NE2-CZ3 3.79Å; H130-V243 WeakPolarHBondContact CE1-CG2 3.36Å; H130-V243 WeakPolarHBondContact ND1-CG2 3.26Å |
| 131 | T | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 155.1 | 165.9 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | D54 L55 F135 R136 I279 | D54-T131 WeakPolarHBondContact CA-OG1 3.49Å; D54-T131 VanDerWaalsContact CB-OG1 3.3Å; D54-T131 WeakPolarHBondContact CB-OG1 3.14Å; D54-T131 WeakPolarHBondContact OD1-CB 3.48Å; D54-T131 PolarHBondContact OD1-OG1 2.87Å; L55-T131 WeakPolarHBondContact CA-O 3.45Å; L55-T131 VanDerWaalsContact CB-O 3.23Å; L55-T131 WeakPolarHBondContact CB-O 3.27Å; L55-T131 WeakPolarHBondContact CG-O 3.45Å; L55-T131 PolarHBondContact N-O 2.9Å; T131-F135 CarbonylContact C-O 3.53Å; T131-F135 WeakPolarHBondContact CA-O 3.45Å; T131-F135 VanDerWaalsContact CB-O 3.29Å; T131-F135 WeakPolarHBondContact CB-O 3.39Å; T131-R136 HydrophobicContact CG2-CB 4.47Å; T131-R136 HydrophobicContact CG2-CG 3.39Å; T131-I279 HydrophobicContact CG2-CD1 4.12Å; T131-I279 HydrophobicContact CG2-CG1 4.33Å |
| 132 | I | 98.8 | Very high | 98.7 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 115.1 | 170.2 | -59.4 | 179.4 | 0 | 0 | 0 | 107.3 | L55 G134 F135 F137 M170 F224 | L55-I132 HydrophobicContact CB-CG1 4.34Å; L55-I132 HydrophobicContact CD1-CG1 4.14Å; I132-G134 PolarHBondContact O-N 3.2Å; I132-F135 PolarHBondContact N-O 2.89Å; I132-F135 VanDerWaalsContact O-CB 3.23Å; I132-F135 WeakPolarHBondContact O-CB 3.35Å; I132-F135 PolarHBondContact O-N 3.04Å; I132-F137 HydrophobicContact CB-CE2 4.38Å; I132-F137 HydrophobicContact CD1-CE2 3.85Å; I132-F137 HydrophobicContact CD1-CZ 4.2Å; I132-F137 HydrophobicContact CG1-CE2 4.1Å; I132-M170 HydrophobicContact CD1-CG 4.43Å; I132-F224 HydrophobicContact CG2-CE2 4.21Å |
| 133 | D | 98.6 | Very high | 98.8 | Very high | 89 Ų | 89 | 32 Ų | 32 | 48% | 0.476 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 40.3 | -175 | -59.2 | -51.8 | 0 | 0 | 0 | 112.7 | D54 L55 K56 T57 F135 | D54-D133 PolarHBondContact OD1-N 2.91Å; L55-D133 PolarHBondContact O-N 3.07Å; L55-D133 VanDerWaalsContact O-N 3.11Å; K56-D133 WeakPolarHBondContact CA-OD1 3.37Å; T57-D133 WeakPolarHBondContact CB-OD2 3.5Å; T57-D133 PolarHBondContact N-OD1 2.98Å; T57-D133 PolarHBondContact OG1-OD1 3.05Å; T57-D133 PolarHBondContact OG1-OD2 3.3Å; D133-F135 VanDerWaalsContact C-N 3.27Å; D133-F135 PolarHBondContact O-N 3.06Å |
| 134 | G | 98.4 | Very high | 98.8 | Very high | 51 Ų | 51 | 29.5 Ų | 29.5 | 53% | 0.526 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -6.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | D54 I132 | D54-G134 PolarHBondContact OD1-N 2.94Å; I132-G134 PolarHBondContact O-N 3.2Å |
| 135 | F | 98.7 | Very high | 98.8 | Very high | 108 Ų | 108 | 27.2 Ų | 27.2 | 47% | 0.474 | 14% | 0.14 | S | C | . | . | B | Isolated β-bridge | trans | -80.2 | 131.4 | 178.1 | -175.4 | -94.7 | 0 | 0 | 0 | 111.7 | T131 I132 D133 F137 | T131-F135 CarbonylContact C-O 3.53Å; T131-F135 WeakPolarHBondContact CA-O 3.45Å; T131-F135 VanDerWaalsContact CB-O 3.29Å; T131-F135 WeakPolarHBondContact CB-O 3.39Å; I132-F135 PolarHBondContact N-O 2.89Å; I132-F135 VanDerWaalsContact O-CB 3.23Å; I132-F135 WeakPolarHBondContact O-CB 3.35Å; I132-F135 PolarHBondContact O-N 3.04Å; D133-F135 VanDerWaalsContact C-N 3.27Å; D133-F135 PolarHBondContact O-N 3.06Å; F135-F137 HydrophobicContact CD1-CD1 4.4Å; F135-F137 AromaticContact CD1-CD2 3.97Å; F135-F137 HydrophobicContact CD1-CD2 3.97Å; F135-F137 HydrophobicContact CD1-CE1 4.14Å; F135-F137 AromaticContact CD1-CE2 3.68Å; F135-F137 HydrophobicContact CD1-CE2 3.68Å; F135-F137 HydrophobicContact CD1-CG 4.33Å; F135-F137 AromaticContact CD1-CZ 3.77Å; F135-F137 HydrophobicContact CD1-CZ 3.77Å; F135-F137 AromaticContact CE1-CD1 3.84Å; F135-F137 HydrophobicContact CE1-CD1 3.84Å; F135-F137 HydrophobicContact CE1-CD2 4.17Å; F135-F137 AromaticContact CE1-CE1 3.75Å; F135-F137 HydrophobicContact CE1-CE1 3.75Å; F135-F137 HydrophobicContact CE1-CE2 4.09Å; F135-F137 HydrophobicContact CE1-CG 4.05Å; F135-F137 AromaticContact CE1-CZ 3.89Å; F135-F137 HydrophobicContact CE1-CZ 3.89Å |
| 136 | R | 98.8 | Very high | 98.8 | Very high | 68 Ų | 68 | 21.6 Ų | 21.6 | 26% | 0.257 | 11% | 0.11 | S | C | . | . | P | Polyproline II helix | trans | -98.4 | 144.2 | 172.1 | -75.1 | -177 | -173.7 | -70 | -4.4 | 111.1 | S128 E129 T131 | S128-R136 PolarHBondContact O-NH1 2.95Å; E129-R136 PolarHBondContact O-NH1 2.9Å; T131-R136 HydrophobicContact CG2-CB 4.47Å; T131-R136 HydrophobicContact CG2-CG 3.39Å |
| 137 | F | 98.8 | Very high | 98.8 | Very high | 14 Ų | 14 | 20.4 Ų | 20.4 | 6% | 0.061 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -99.6 | 154.2 | 172.1 | -66.2 | -95.7 | 0 | 0 | 0 | 110.3 | R126 G127 S128 I132 F135 L139 M170 Q172 P247 | R126-F137 CarbonylContact C-O 3.48Å; R126-F137 VanDerWaalsContact C-O 3.28Å; G127-F137 CarbonylContact C-O 3.46Å; G127-F137 WeakPolarHBondContact CA-O 3.47Å; G127-F137 PolarHBondContact N-O 3.16Å; G127-F137 VanDerWaalsContact N-O 3.1Å; S128-F137 PolarHBondContact N-O 3.43Å; S128-F137 PolarHBondContact OG-N 3.06Å; I132-F137 HydrophobicContact CB-CE2 4.38Å; I132-F137 HydrophobicContact CD1-CE2 3.85Å; I132-F137 HydrophobicContact CD1-CZ 4.2Å; I132-F137 HydrophobicContact CG1-CE2 4.1Å; F135-F137 HydrophobicContact CD1-CD1 4.4Å; F135-F137 AromaticContact CD1-CD2 3.97Å; F135-F137 HydrophobicContact CD1-CD2 3.97Å; F135-F137 HydrophobicContact CD1-CE1 4.14Å; F135-F137 AromaticContact CD1-CE2 3.68Å; F135-F137 HydrophobicContact CD1-CE2 3.68Å; F135-F137 HydrophobicContact CD1-CG 4.33Å; F135-F137 AromaticContact CD1-CZ 3.77Å; F135-F137 HydrophobicContact CD1-CZ 3.77Å; F135-F137 AromaticContact CE1-CD1 3.84Å; F135-F137 HydrophobicContact CE1-CD1 3.84Å; F135-F137 HydrophobicContact CE1-CD2 4.17Å; F135-F137 AromaticContact CE1-CE1 3.75Å; F135-F137 HydrophobicContact CE1-CE1 3.75Å; F135-F137 HydrophobicContact CE1-CE2 4.09Å; F135-F137 HydrophobicContact CE1-CG 4.05Å; F135-F137 AromaticContact CE1-CZ 3.89Å; F135-F137 HydrophobicContact CE1-CZ 3.89Å; F137-L139 PolarHBondContact O-N 3.02Å; F137-M170 HydrophobicContact CB-CB 4.35Å; F137-M170 HydrophobicContact CB-SD 4.03Å; F137-M170 HydrophobicContact CD1-CB 3.86Å; F137-M170 HydrophobicContact CD1-CG 4.5Å; F137-M170 HydrophobicContact CD2-CB 3.9Å; F137-M170 HydrophobicContact CD2-CE 4.2Å; F137-M170 HydrophobicContact CD2-CG 3.64Å; F137-M170 HydrophobicContact CD2-SD 3.4Å; F137-M170 WeakPolarHBondContact CD2-SD 3.48Å; F137-M170 HydrophobicContact CE1-CB 4.08Å; F137-M170 HydrophobicContact CE2-CB 4.12Å; F137-M170 HydrophobicContact CE2-CG 3.76Å; F137-M170 HydrophobicContact CE2-SD 4.05Å; F137-M170 HydrophobicContact CG-CB 3.77Å; F137-M170 HydrophobicContact CG-CG 4.03Å; F137-M170 HydrophobicContact CG-SD 3.86Å; F137-M170 HydrophobicContact CZ-CB 4.2Å; F137-M170 HydrophobicContact CZ-CG 4.26Å; F137-Q172 HydrophobicContact CD1-CB 4.45Å; F137-P247 HydrophobicContact CD1-CB 4.13Å; F137-P247 HydrophobicContact CE1-CB 3.78Å; F137-P247 HydrophobicContact CE1-CG 3.91Å |
| 138 | P | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -64.5 | -25.7 | 178.7 | 21.2 | -32.5 | 0 | 0 | 0 | 114 | W120 G121 D124 R126 H171 I173 | W120-P138 WeakPolarHBondContact CA-O 3.5Å; W120-P138 WeakPolarHBondContact CB-O 3.09Å; G121-P138 PolarHBondContact N-O 3.05Å; D124-P138 WeakPolarHBondContact O-CB 3.42Å; R126-P138 WeakPolarHBondContact O-CA 3.25Å; P138-H171 VanDerWaalsContact CD-O 3.23Å; P138-H171 WeakPolarHBondContact CD-O 3.24Å; P138-H171 WeakPolarHBondContact CG-O 3.41Å; P138-I173 HydrophobicContact CB-CD1 3.9Å; P138-I173 HydrophobicContact CB-CG1 4.36Å; P138-I173 HydrophobicContact CG-CD1 3.95Å; P138-I173 HydrophobicContact CG-CG1 3.92Å |
| 139 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 139.3 | -178 | 168.2 | 67.9 | 0 | 0 | 0 | 110.5 | F118 H119 W120 F137 H171 I250 I255 F258 | F118-L139 HydrophobicContact CB-CD1 3.68Å; F118-L139 HydrophobicContact CD1-CD1 3.66Å; F118-L139 HydrophobicContact CD1-CD2 4.13Å; F118-L139 HydrophobicContact CD1-CG 4.2Å; F118-L139 HydrophobicContact CG-CD1 4.1Å; H119-L139 CarbonylContact O-C 3.46Å; H119-L139 VanDerWaalsContact O-CA 3.28Å; H119-L139 WeakPolarHBondContact O-CA 3.34Å; H119-L139 WeakPolarHBondContact O-CD1 3.48Å; W120-L139 HydrophobicContact CB-CD1 4.13Å; W120-L139 HydrophobicContact CE3-CD1 4.42Å; F137-L139 PolarHBondContact O-N 3.02Å; L139-H171 HydrophobicContact CB-CB 3.96Å; L139-H171 HydrophobicContact CD2-CB 4.03Å; L139-H171 HydrophobicContact CG-CB 4.11Å; L139-H171 PolarHBondContact O-N 3.16Å; L139-I250 HydrophobicContact CB-CD1 4.41Å; L139-I250 HydrophobicContact CD2-CD1 4.07Å; L139-I255 HydrophobicContact CB-CD1 3.79Å; L139-I255 HydrophobicContact CD2-CD1 4.35Å; L139-F258 HydrophobicContact CD2-CD2 4.42Å; L139-F258 HydrophobicContact CD2-CE2 3.9Å; L139-F258 HydrophobicContact CD2-CZ 4.29Å |
| 140 | E | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.5 | 169.7 | -178.1 | 169.5 | -167.9 | 0 | 0 | 109.8 | F118 H119 S128 E129 H130 H142 I169 M170 | F118-E140 CarbonylContact C-O 3.59Å; F118-E140 WeakPolarHBondContact CA-O 3.22Å; H119-E140 PolarHBondContact N-O 3.08Å; H119-E140 PolarHBondContact O-N 2.92Å; S128-E140 WeakPolarHBondContact CB-OE2 3.44Å; E129-E140 WeakPolarHBondContact CA-OE2 3.37Å; E129-E140 PolarHBondContact N-OE2 3.42Å; H130-E140 IonicContact CD2-OE1 3.72Å; H130-E140 IonicContact CG-OE1 3.09Å; H130-E140 PolarHBondContact N-OE2 2.88Å; E140-H142 IonicContact OE1-CD2 2.89Å; E140-H142 IonicContact OE1-NE2 2.68Å; E140-H142 PolarHBondContact OE1-NE2 3.39Å; E140-I169 WeakPolarHBondContact CA-O 3.45Å; E140-M170 HydrophobicContact CB-SD 4.21Å; E140-M170 HydrophobicContact CG-CE 4.47Å; E140-M170 HydrophobicContact CG-SD 4.11Å |
| 141 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 131.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H117 G168 I169 | H117-G141 CarbonylContact O-C 3.55Å; H117-G141 WeakPolarHBondContact O-CA 3.34Å; G141-G168 WeakPolarHBondContact O-CA 3.37Å; G141-I169 PolarHBondContact N-O 3.39Å; G141-I169 PolarHBondContact O-N 3.2Å |
| 142 | H | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 109.7 | 178.4 | -72.1 | 165.3 | 0 | 0 | 0 | 111.1 | M116 H117 H119 E129 E140 V166 L167 W241 | M116-H142 VanDerWaalsContact CA-O 3.23Å; M116-H142 WeakPolarHBondContact CA-O 3.29Å; H117-H142 WeakPolarHBondContact CE1-CB 3.27Å; H117-H142 PolarHBondContact N-O 2.86Å; H117-H142 AromaticContact NE2-CG 3.93Å; H117-H142 AromaticContact NE2-ND1 3.46Å; H117-H142 PolarHBondContact NE2-ND1 3.14Å; H117-H142 PolarHBondContact O-N 3.37Å; H119-H142 AromaticContact CD2-CE1 3.42Å; H119-H142 PolarHBondContact CD2-CE1 3.35Å; H119-H142 VanDerWaalsContact CD2-CE1 3.42Å; H119-H142 AromaticContact CD2-ND1 3.3Å; H119-H142 PolarHBondContact CD2-ND1 3.33Å; H119-H142 VanDerWaalsContact CD2-ND1 3.3Å; H119-H142 AromaticContact NE2-CE1 3.47Å; H119-H142 PolarHBondContact NE2-CE1 2.68Å; H119-H142 AromaticContact NE2-ND1 3.07Å; H119-H142 PolarHBondContact NE2-ND1 3.2Å; E129-H142 IonicContact OE2-CE1 3.69Å; E129-H142 PolarHBondContact OE2-CE1 3.46Å; E129-H142 IonicContact OE2-ND1 3.84Å; E140-H142 IonicContact OE1-CD2 2.89Å; E140-H142 IonicContact OE1-NE2 2.68Å; E140-H142 PolarHBondContact OE1-NE2 3.39Å; H142-V166 HydrophobicContact CB-CG1 3.94Å; H142-L167 WeakPolarHBondContact CA-O 3.48Å; H142-W241 AromaticContact CD2-CH2 3.87Å; H142-W241 AromaticContact CD2-CZ3 3.73Å; H142-W241 AromaticContact CE1-CH2 3.55Å; H142-W241 AromaticContact ND1-CH2 3.88Å; H142-W241 AromaticContact NE2-CH2 3.53Å; H142-W241 AromaticContact NE2-CZ3 3.56Å |
| 143 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 109 | 170.3 | -57.3 | 171.1 | 0 | 0 | 0 | 107.9 | I71 I113 M116 V166 L167 I169 L211 L214 | I71-I143 HydrophobicContact CD1-CD1 3.9Å; I113-I143 HydrophobicContact CB-CG2 4.42Å; I113-I143 HydrophobicContact CD1-CG2 3.79Å; I113-I143 HydrophobicContact CG1-CG2 3.8Å; I113-I143 HydrophobicContact CG2-CG2 3.73Å; M116-I143 HydrophobicContact CB-CG1 4.38Å; M116-I143 HydrophobicContact CE-CG1 4.09Å; M116-I143 HydrophobicContact CG-CG1 4Å; M116-I143 HydrophobicContact SD-CD1 4.48Å; M116-I143 HydrophobicContact SD-CG1 3.88Å; I143-V166 WeakPolarHBondContact O-CA 3.45Å; I143-L167 HydrophobicContact CB-CB 4.16Å; I143-L167 HydrophobicContact CD1-CD1 4.45Å; I143-L167 PolarHBondContact N-O 3.06Å; I143-L167 PolarHBondContact O-N 3.28Å; I143-I169 HydrophobicContact CD1-CD1 3.63Å; I143-I169 HydrophobicContact CG1-CD1 4.37Å; I143-L211 HydrophobicContact CD1-CD2 3.96Å; I143-L211 HydrophobicContact CG1-CD2 4.45Å; I143-L211 HydrophobicContact CG2-CD1 4.49Å; I143-L214 HydrophobicContact CD1-CD2 4.32Å |
| 144 | V | 98.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126.8 | -176.5 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | I114 Q115 V166 | I114-V144 HydrophobicContact CD1-CG1 4.46Å; I114-V144 PolarHBondContact N-O 2.57Å; Q115-V144 HydrophobicContact CG-CB 4.15Å; Q115-V144 HydrophobicContact CG-CG2 4.46Å; Q115-V144 PolarHBondContact N-O 2.99Å; Q115-V144 VanDerWaalsContact NE2-CG2 3.28Å; Q115-V144 PolarHBondContact O-N 3.48Å; V144-V166 HydrophobicContact CB-CG2 4.4Å; V144-V166 HydrophobicContact CG1-CG2 4.19Å; V144-V166 HydrophobicContact CG2-CG1 4.35Å; V144-V166 HydrophobicContact CG2-CG2 4.06Å |
| 145 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 155.8 | 174.8 | 69.2 | 0 | 0 | 0 | 0 | 111.3 | E112 L164 A165 | E112-S145 CarbonylContact O-C 3.51Å; E112-S145 WeakPolarHBondContact O-CA 3.47Å; E112-S145 WeakPolarHBondContact O-CB 3.47Å; S145-L164 WeakPolarHBondContact O-CA 3.25Å; S145-A165 PolarHBondContact N-O 3.45Å; S145-A165 PolarHBondContact O-N 3.04Å; S145-A165 PolarHBondContact OG-O 3.02Å |
| 146 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 152.2 | 167.3 | 74.3 | -76 | 0 | 0 | 0 | 111.6 | Y111 E112 I114 R148 Y151 P154 A157 G163 L164 | Y111-F146 WeakPolarHBondContact CA-O 3.4Å; E112-F146 HydrophobicContact CB-CD1 4.07Å; E112-F146 HydrophobicContact CB-CE1 3.48Å; E112-F146 VanDerWaalsContact CB-CE1 3.48Å; E112-F146 HydrophobicContact CB-CZ 3.89Å; E112-F146 VanDerWaalsContact CD-CE1 3.49Å; E112-F146 HydrophobicContact CG-CD1 4.48Å; E112-F146 HydrophobicContact CG-CE1 3.64Å; E112-F146 HydrophobicContact CG-CZ 4.2Å; E112-F146 PolarHBondContact N-O 3.14Å; E112-F146 WeakPolarHBondContact O-CD1 3.45Å; E112-F146 PolarHBondContact O-N 2.91Å; E112-F146 WeakPolarHBondContact OE2-CZ 3.35Å; I114-F146 HydrophobicContact CD1-CB 4.03Å; I114-F146 HydrophobicContact CD1-CD1 3.87Å; I114-F146 HydrophobicContact CD1-CG 4.39Å; I114-F146 HydrophobicContact CG1-CD1 3.74Å; I114-F146 HydrophobicContact CG1-CE1 4.43Å; F146-R148 VanDerWaalsContact C-N 3.27Å; F146-R148 HydrophobicContact CD2-CB 4.34Å; F146-R148 HydrophobicContact CE2-CB 3.76Å; F146-R148 HydrophobicContact CE2-CG 4.3Å; F146-R148 HydrophobicContact CZ-CB 4.07Å; F146-R148 HydrophobicContact CZ-CG 4.44Å; F146-R148 PolarHBondContact O-N 3.22Å; F146-Y151 WeakPolarHBondContact CE2-O 3.49Å; F146-P154 HydrophobicContact CD1-CB 4.29Å; F146-P154 HydrophobicContact CD1-CG 3.78Å; F146-P154 HydrophobicContact CE1-CG 3.59Å; F146-P154 HydrophobicContact CZ-CG 4.23Å; F146-A157 HydrophobicContact CB-CB 3.6Å; F146-A157 HydrophobicContact CD2-CB 4.03Å; F146-A157 HydrophobicContact CG-CB 4.19Å; F146-G163 CarbonylContact C-O 3.46Å; F146-G163 VanDerWaalsContact CA-O 3.23Å; F146-G163 WeakPolarHBondContact CA-O 3.37Å; F146-G163 WeakPolarHBondContact CB-O 3.41Å; F146-L164 HydrophobicContact CB-CD2 4.08Å |
| 147 | R | 98.4 | Very high | 97.6 | Very high | 65 Ų | 65 | 34.9 Ų | 34.9 | 25% | 0.245 | 18% | 0.184 | C | C | . | . | trans | -75 | 77.9 | 176.3 | -168.7 | 177.6 | -177.8 | 175.4 | 1.9 | 110.8 | K110 Y111 Q149 M150 Y151 G163 | K110-R147 CarbonylContact O-C 3.53Å; Y111-R147 HydrophobicContact CD1-CB 4.15Å; Y111-R147 HydrophobicContact CE1-CB 3.67Å; Y111-R147 HydrophobicContact CE1-CG 3.88Å; R147-Q149 HydrophobicContact CG-CB 4.2Å; R147-Q149 PolarHBondContact O-N 2.89Å; R147-Q149 VanDerWaalsContact O-N 3.1Å; R147-M150 HydrophobicContact CG-CB 4.42Å; R147-M150 HydrophobicContact CG-CG 4.44Å; R147-M150 VanDerWaalsContact CZ-CE 3.43Å; R147-M150 PolarHBondContact NH1-SD 2.92Å; R147-M150 VanDerWaalsContact NH1-SD 3.39Å; R147-M150 PolarHBondContact O-N 2.93Å; R147-Y151 PolarHBondContact O-N 3.37Å; R147-Y151 VanDerWaalsContact O-N 3.09Å; R147-G163 PolarHBondContact N-O 3.14Å | ||
| 148 | R | 98.2 | Very high | 97.3 | Very high | 91 Ų | 91 | 37.9 Ų | 37.9 | 34% | 0.343 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -29.4 | 175.7 | 178.6 | -179.7 | 175.2 | 118 | -2.4 | 113.5 | N97 Y109 K110 E112 F146 M150 Y151 | N97-R148 PolarHBondContact OD1-NH1 2.9Å; Y109-R148 WeakPolarHBondContact O-CB 3.47Å; Y109-R148 VanDerWaalsContact O-CD 3.32Å; Y109-R148 WeakPolarHBondContact O-CD 3.33Å; K110-R148 PolarHBondContact O-N 3.44Å; E112-R148 HydrophobicContact CB-CB 4.22Å; E112-R148 WeakPolarHBondContact OE2-CD 3.02Å; E112-R148 IonicContact OE2-CZ 3.55Å; E112-R148 IonicContact OE2-NH1 2.7Å; E112-R148 PolarHBondContact OE2-NH1 3.24Å; F146-R148 VanDerWaalsContact C-N 3.27Å; F146-R148 HydrophobicContact CD2-CB 4.34Å; F146-R148 HydrophobicContact CE2-CB 3.76Å; F146-R148 HydrophobicContact CE2-CG 4.3Å; F146-R148 HydrophobicContact CZ-CB 4.07Å; F146-R148 HydrophobicContact CZ-CG 4.44Å; F146-R148 PolarHBondContact O-N 3.22Å; R148-M150 PolarHBondContact O-N 2.74Å; R148-M150 VanDerWaalsContact O-N 3.15Å; R148-Y151 CarbonylContact C-O 3.6Å; R148-Y151 WeakPolarHBondContact CA-O 3.3Å; R148-Y151 VanDerWaalsContact O-O 3.13Å |
| 149 | Q | 96.7 | Very high | 96.9 | Very high | 103 Ų | 103 | 40.8 Ų | 40.8 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -31 | 174.3 | -170.3 | -174 | 34.5 | 0 | 0 | 113.3 | K110 R147 | K110-Q149 HydrophobicContact CB-CB 4.29Å; K110-Q149 HydrophobicContact CG-CB 4.22Å; K110-Q149 HydrophobicContact CG-CG 4.36Å; K110-Q149 PolarHBondContact O-N 2.97Å; K110-Q149 VanDerWaalsContact O-N 3.09Å; R147-Q149 HydrophobicContact CG-CB 4.2Å; R147-Q149 PolarHBondContact O-N 2.89Å; R147-Q149 VanDerWaalsContact O-N 3.1Å |
| 150 | M | 97 | Very high | 96.6 | Very high | 106 Ų | 106 | 47.1 Ų | 47.1 | 52% | 0.522 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -27.9 | -176.4 | -73.9 | -176.4 | 164.9 | 0 | 0 | 113.6 | R147 R148 | R147-M150 HydrophobicContact CG-CB 4.42Å; R147-M150 HydrophobicContact CG-CG 4.44Å; R147-M150 VanDerWaalsContact CZ-CE 3.43Å; R147-M150 PolarHBondContact NH1-SD 2.92Å; R147-M150 VanDerWaalsContact NH1-SD 3.39Å; R147-M150 PolarHBondContact O-N 2.93Å; R148-M150 PolarHBondContact O-N 2.74Å; R148-M150 VanDerWaalsContact O-N 3.15Å |
| 151 | Y | 97.7 | Very high | 96.3 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 12% | 0.122 | 29% | 0.287 | C | S | . | . | trans | -124.6 | 139.9 | -172.8 | -58.8 | -67.7 | 0 | 0 | 0 | 110.5 | F146 R147 R148 S153 E156 A157 R160 P161 | F146-Y151 WeakPolarHBondContact CE2-O 3.49Å; R147-Y151 PolarHBondContact O-N 3.37Å; R147-Y151 VanDerWaalsContact O-N 3.09Å; R148-Y151 CarbonylContact C-O 3.6Å; R148-Y151 WeakPolarHBondContact CA-O 3.3Å; R148-Y151 VanDerWaalsContact O-O 3.13Å; Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 2.88Å; Y151-E156 HydrophobicContact CD1-CG 3.85Å; Y151-A157 HydrophobicContact CD2-CB 3.8Å; Y151-A157 HydrophobicContact CG-CB 3.87Å; Y151-R160 HydrophobicContact CE1-CB 3.72Å; Y151-R160 HydrophobicContact CE1-CG 4.19Å; Y151-R160 HydrophobicContact CE2-CB 4.43Å; Y151-R160 WeakPolarHBondContact OH-CB 3.4Å; Y151-P161 PolarHBondContact OH-O 2.84Å | ||
| 152 | S | 96.5 | Very high | 96 | Very high | 99 Ų | 99 | 54.1 Ų | 54.1 | 69% | 0.692 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -80.3 | -18.2 | -174 | -59.9 | 0 | 0 | 0 | 0 | 113 | E156 | S152-E156 PolarHBondContact N-OE2 3.35Š|
| 153 | S | 95.6 | Very high | 96 | Very high | 27 Ų | 27 | 54 Ų | 54 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -151.5 | 157 | -175.6 | 65.4 | 0 | 0 | 0 | 0 | 112.9 | Y151 S155 E156 A157 | Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 2.88Å; S153-S155 VanDerWaalsContact C-N 3.31Å; S153-S155 PolarHBondContact O-N 3.36Å; S153-S155 PolarHBondContact OG-OG 2.98Å; S153-E156 PolarHBondContact O-N 3.38Å; S153-E156 WeakPolarHBondContact OG-CB 3.47Å; S153-E156 PolarHBondContact OG-N 3.22Å; S153-A157 PolarHBondContact O-N 3.17Å |
| 154 | P | 94.8 | Very high | 95.9 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -53.6 | -45 | 171.7 | -27.5 | 34.5 | 0 | 0 | 0 | 113.2 | I114 F146 E156 A157 I158 | I114-P154 HydrophobicContact CD1-CB 3.78Å; I114-P154 HydrophobicContact CD1-CG 4.22Å; I114-P154 HydrophobicContact CG1-CB 4.09Å; I114-P154 HydrophobicContact CG1-CG 4Å; F146-P154 HydrophobicContact CD1-CB 4.29Å; F146-P154 HydrophobicContact CD1-CG 3.78Å; F146-P154 HydrophobicContact CE1-CG 3.59Å; F146-P154 HydrophobicContact CZ-CG 4.23Å; P154-E156 VanDerWaalsContact C-N 3.27Å; P154-E156 PolarHBondContact O-N 3.32Å; P154-A157 PolarHBondContact O-N 2.91Å; P154-I158 HydrophobicContact CB-CD1 4.36Å; P154-I158 WeakPolarHBondContact O-CD1 3.12Å; P154-I158 WeakPolarHBondContact O-CG1 3.36Å; P154-I158 PolarHBondContact O-N 3.13Å |
| 155 | S | 95.3 | Very high | 95.9 | Very high | 101 Ų | 101 | 53.7 Ų | 53.7 | 71% | 0.706 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.4 | -31.8 | -177.8 | 51.1 | 0 | 0 | 0 | 0 | 113 | S153 | S153-S155 VanDerWaalsContact C-N 3.31Å; S153-S155 PolarHBondContact O-N 3.36Å; S153-S155 PolarHBondContact OG-OG 2.98Å |
| 156 | E | 95.6 | Very high | 95.9 | Very high | 65 Ų | 65 | 53.9 Ų | 53.9 | 30% | 0.304 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.2 | -40.4 | 172.9 | -174.4 | -175.4 | -175.4 | 0 | 0 | 111.8 | Y151 S152 S153 P154 R160 | Y151-E156 HydrophobicContact CD1-CG 3.85Å; S152-E156 PolarHBondContact N-OE2 3.35Å; S153-E156 PolarHBondContact O-N 3.38Å; S153-E156 WeakPolarHBondContact OG-CB 3.47Å; S153-E156 PolarHBondContact OG-N 3.22Å; P154-E156 VanDerWaalsContact C-N 3.27Å; P154-E156 PolarHBondContact O-N 3.32Å; E156-R160 WeakPolarHBondContact O-CD 3.31Å; E156-R160 WeakPolarHBondContact O-CG 3.48Å; E156-R160 PolarHBondContact O-NE 3.14Å |
| 157 | A | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -78.6 | -36.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | F146 Y151 S153 P154 G159 R160 G163 N238 | F146-A157 HydrophobicContact CB-CB 3.6Å; F146-A157 HydrophobicContact CD2-CB 4.03Å; F146-A157 HydrophobicContact CG-CB 4.19Å; Y151-A157 HydrophobicContact CD2-CB 3.8Å; Y151-A157 HydrophobicContact CG-CB 3.87Å; S153-A157 PolarHBondContact O-N 3.17Å; P154-A157 PolarHBondContact O-N 2.91Å; A157-G159 PolarHBondContact O-N 2.82Å; A157-G159 VanDerWaalsContact O-N 3.08Å; A157-R160 PolarHBondContact O-N 3.38Å; A157-G163 WeakPolarHBondContact O-CA 3.43Å; A157-N238 PolarHBondContact O-ND2 2.96Å |
| 158 | I | 91.3 | Very high | 96 | Very high | 76 Ų | 76 | 50.8 Ų | 50.8 | 39% | 0.39 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -34.4 | -170.1 | -75.2 | 158.4 | 0 | 0 | 0 | 113.1 | P154 L164 N238 | P154-I158 HydrophobicContact CB-CD1 4.36Å; P154-I158 WeakPolarHBondContact O-CD1 3.12Å; P154-I158 WeakPolarHBondContact O-CG1 3.36Å; P154-I158 PolarHBondContact O-N 3.13Å; I158-L164 HydrophobicContact CG1-CD2 4.11Å; I158-N238 PolarHBondContact O-ND2 2.96Å |
| 159 | G | 90.3 | Very high | 96 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 64% | 0.639 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 6.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A157 | A157-G159 PolarHBondContact O-N 2.82Å; A157-G159 VanDerWaalsContact O-N 3.08Å |
| 160 | R | 93.8 | Very high | 96.1 | Very high | 134 Ų | 134 | 41.5 Ų | 41.5 | 51% | 0.506 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -112.3 | 152.7 | -172.5 | -70.8 | -173.4 | -175 | -103.9 | 3 | 113.1 | Y151 E156 A157 G162 G163 N238 | Y151-R160 HydrophobicContact CE1-CB 3.72Å; Y151-R160 HydrophobicContact CE1-CG 4.19Å; Y151-R160 HydrophobicContact CE2-CB 4.43Å; Y151-R160 WeakPolarHBondContact OH-CB 3.4Å; E156-R160 WeakPolarHBondContact O-CD 3.31Å; E156-R160 WeakPolarHBondContact O-CG 3.48Å; E156-R160 PolarHBondContact O-NE 3.14Å; A157-R160 PolarHBondContact O-N 3.38Å; R160-G162 PolarHBondContact O-N 2.88Å; R160-G163 PolarHBondContact O-N 2.91Å; R160-G163 VanDerWaalsContact O-N 3.11Å; R160-N238 VanDerWaalsContact O-CB 3.26Å; R160-N238 WeakPolarHBondContact O-CB 3.42Å; R160-N238 PolarHBondContact O-ND2 2.9Å |
| 161 | P | 92.7 | Very high | 96.2 | Very high | 108 Ų | 108 | 36.5 Ų | 36.5 | 70% | 0.701 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 130.9 | -178.5 | -26.3 | 35.2 | 0 | 0 | 0 | 113 | Y151 G163 | Y151-P161 PolarHBondContact OH-O 2.84Å; P161-G163 PolarHBondContact O-N 3.29Å; P161-G163 VanDerWaalsContact O-N 3.17Å |
| 162 | G | 92.7 | Very high | 96.3 | Very high | 38 Ų | 38 | 37.3 Ų | 37.3 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 25.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R160 | R160-G162 PolarHBondContact O-N 2.88Š|
| 163 | G | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -74.6 | -26 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F146 R147 A157 R160 P161 | F146-G163 CarbonylContact C-O 3.46Å; F146-G163 VanDerWaalsContact CA-O 3.23Å; F146-G163 WeakPolarHBondContact CA-O 3.37Å; F146-G163 WeakPolarHBondContact CB-O 3.41Å; R147-G163 PolarHBondContact N-O 3.14Å; A157-G163 WeakPolarHBondContact O-CA 3.43Å; R160-G163 PolarHBondContact O-N 2.91Å; R160-G163 VanDerWaalsContact O-N 3.11Å; P161-G163 PolarHBondContact O-N 3.29Å; P161-G163 VanDerWaalsContact O-N 3.17Å | ||
| 164 | L | 98.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 149.9 | -171.2 | -59.9 | 179.6 | 0 | 0 | 0 | 112.4 | I114 S145 F146 I158 L230 N238 V239 L240 | I114-L164 HydrophobicContact CD1-CD2 4.49Å; S145-L164 WeakPolarHBondContact O-CA 3.25Å; F146-L164 HydrophobicContact CB-CD2 4.08Å; I158-L164 HydrophobicContact CG1-CD2 4.11Å; L164-L230 HydrophobicContact CD1-CD1 4.44Å; L164-L230 HydrophobicContact CD1-CD2 3.86Å; L164-L230 HydrophobicContact CD1-CG 4.27Å; L164-N238 PolarHBondContact N-O 2.84Å; L164-N238 VanDerWaalsContact N-O 3.13Å; L164-V239 HydrophobicContact CB-CG2 4.09Å; L164-V239 HydrophobicContact CD1-CG2 4.26Å; L164-L240 PolarHBondContact O-N 3.13Å |
| 165 | A | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.4 | 163 | 0 | 0 | 0 | 0 | 0 | 109 | F103 Y111 S145 L240 | F103-A165 HydrophobicContact CE2-CB 4.19Å; F103-A165 HydrophobicContact CZ-CB 4.4Å; Y111-A165 HydrophobicContact CD1-CB 3.58Å; Y111-A165 HydrophobicContact CE1-CB 3.42Å; Y111-A165 VanDerWaalsContact CE1-CB 3.42Å; S145-A165 PolarHBondContact N-O 3.45Å; S145-A165 PolarHBondContact O-N 3.04Å; S145-A165 PolarHBondContact OG-O 3.02Å; A165-L240 VanDerWaalsContact CA-O 3.31Å; A165-L240 WeakPolarHBondContact CA-O 3.16Å; A165-L240 HydrophobicContact CB-CB 3.97Å; A165-L240 HydrophobicContact CB-CD2 4.46Å |
| 166 | V | 98.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.3 | -178.1 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | H142 I143 V144 V239 L240 W241 T242 | H142-V166 HydrophobicContact CB-CG1 3.94Å; I143-V166 WeakPolarHBondContact O-CA 3.45Å; V144-V166 HydrophobicContact CB-CG2 4.4Å; V144-V166 HydrophobicContact CG1-CG2 4.19Å; V144-V166 HydrophobicContact CG2-CG1 4.35Å; V144-V166 HydrophobicContact CG2-CG2 4.06Å; V166-V239 HydrophobicContact CB-CG1 3.82Å; V166-V239 HydrophobicContact CG2-CG1 3.5Å; V166-L240 PolarHBondContact N-O 3.3Å; V166-W241 HydrophobicContact CB-CD2 4.27Å; V166-W241 HydrophobicContact CB-CE3 3.98Å; V166-W241 HydrophobicContact CB-CH2 4.01Å; V166-W241 HydrophobicContact CB-CZ2 4.26Å; V166-W241 HydrophobicContact CB-CZ3 3.87Å; V166-W241 HydrophobicContact CG1-CE3 3.97Å; V166-W241 HydrophobicContact CG1-CH2 3.52Å; V166-W241 HydrophobicContact CG1-CZ2 4.23Å; V166-W241 HydrophobicContact CG1-CZ3 3.38Å; V166-T242 PolarHBondContact O-N 3.46Å |
| 167 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.8 | 169.1 | -49.2 | -177.8 | 0 | 0 | 0 | 109.1 | V69 I71 I101 F103 H142 I143 T242 F244 | V69-L167 HydrophobicContact CG1-CD1 4.18Å; V69-L167 HydrophobicContact CG1-CD2 4.37Å; I71-L167 HydrophobicContact CD1-CD1 3.76Å; I71-L167 HydrophobicContact CG1-CD1 4.13Å; I101-L167 HydrophobicContact CD1-CD1 3.65Å; I101-L167 HydrophobicContact CD1-CD2 4.29Å; I101-L167 HydrophobicContact CD1-CG 3.79Å; I101-L167 HydrophobicContact CG1-CD1 4.07Å; F103-L167 HydrophobicContact CE1-CD2 3.89Å; F103-L167 HydrophobicContact CZ-CD2 3.87Å; H142-L167 WeakPolarHBondContact CA-O 3.48Å; I143-L167 HydrophobicContact CB-CB 4.16Å; I143-L167 HydrophobicContact CD1-CD1 4.45Å; I143-L167 PolarHBondContact N-O 3.06Å; I143-L167 PolarHBondContact O-N 3.28Å; L167-T242 CarbonylContact C-O 3.53Å; L167-T242 VanDerWaalsContact CA-O 3.26Å; L167-T242 WeakPolarHBondContact CA-O 3.17Å; L167-T242 HydrophobicContact CD2-CG2 4.09Å; L167-F244 HydrophobicContact CB-CE2 4.07Å; L167-F244 HydrophobicContact CD1-CE2 4.29Å; L167-F244 HydrophobicContact CD1-CZ 4.44Å |
| 168 | G | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G141 T242 V243 F244 | G141-G168 WeakPolarHBondContact O-CA 3.37Å; G168-T242 PolarHBondContact N-O 3.02Å; G168-V243 WeakPolarHBondContact O-CA 3.45Å; G168-F244 WeakPolarHBondContact O-CD2 3.46Å; G168-F244 PolarHBondContact O-N 2.61Å; G168-F244 VanDerWaalsContact O-N 3.07Å |
| 169 | I | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 115.7 | 179.4 | -62.8 | 174.3 | 0 | 0 | 0 | 107.9 | E140 G141 I143 H171 L214 L218 F244 V248 | E140-I169 WeakPolarHBondContact CA-O 3.45Å; G141-I169 PolarHBondContact N-O 3.39Å; G141-I169 PolarHBondContact O-N 3.2Å; I143-I169 HydrophobicContact CD1-CD1 3.63Å; I143-I169 HydrophobicContact CG1-CD1 4.37Å; I169-H171 PolarHBondContact O-ND1 2.97Å; I169-L214 HydrophobicContact CD1-CD2 3.57Å; I169-L214 HydrophobicContact CD1-CG 4.02Å; I169-L218 HydrophobicContact CG1-CD2 4.42Å; I169-L218 HydrophobicContact CG2-CD2 4.01Å; I169-F244 HydrophobicContact CG1-CD2 3.89Å; I169-F244 HydrophobicContact CG1-CE2 4.22Å; I169-V248 HydrophobicContact CG2-CG1 4.03Å; I169-V248 HydrophobicContact CG2-CG2 3.87Å |
| 170 | M | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 142.8 | 174.2 | -61.5 | -60.5 | 180 | 0 | 0 | 110.4 | H130 I132 F137 E140 V243 P247 V248 | H130-M170 HydrophobicContact CB-CE 3.58Å; I132-M170 HydrophobicContact CD1-CG 4.43Å; F137-M170 HydrophobicContact CB-CB 4.35Å; F137-M170 HydrophobicContact CB-SD 4.03Å; F137-M170 HydrophobicContact CD1-CB 3.86Å; F137-M170 HydrophobicContact CD1-CG 4.5Å; F137-M170 HydrophobicContact CD2-CB 3.9Å; F137-M170 HydrophobicContact CD2-CE 4.2Å; F137-M170 HydrophobicContact CD2-CG 3.64Å; F137-M170 HydrophobicContact CD2-SD 3.4Å; F137-M170 WeakPolarHBondContact CD2-SD 3.48Å; F137-M170 HydrophobicContact CE1-CB 4.08Å; F137-M170 HydrophobicContact CE2-CB 4.12Å; F137-M170 HydrophobicContact CE2-CG 3.76Å; F137-M170 HydrophobicContact CE2-SD 4.05Å; F137-M170 HydrophobicContact CG-CB 3.77Å; F137-M170 HydrophobicContact CG-CG 4.03Å; F137-M170 HydrophobicContact CG-SD 3.86Å; F137-M170 HydrophobicContact CZ-CB 4.2Å; F137-M170 HydrophobicContact CZ-CG 4.26Å; E140-M170 HydrophobicContact CB-SD 4.21Å; E140-M170 HydrophobicContact CG-CE 4.47Å; E140-M170 HydrophobicContact CG-SD 4.11Å; M170-V243 HydrophobicContact CE-CG1 3.84Å; M170-P247 HydrophobicContact CB-CB 3.96Å; M170-P247 CarbonylContact O-C 3.42Å; M170-P247 WeakPolarHBondContact O-CA 3.5Å; M170-P247 WeakPolarHBondContact O-CB 3.26Å; M170-V248 PolarHBondContact O-N 2.95Å |
| 171 | H | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.2 | 172.6 | -59.7 | 64.5 | 0 | 0 | 0 | 110 | P138 L139 I169 Y187 V248 I250 | P138-H171 VanDerWaalsContact CD-O 3.23Å; P138-H171 WeakPolarHBondContact CD-O 3.24Å; P138-H171 WeakPolarHBondContact CG-O 3.41Å; L139-H171 HydrophobicContact CB-CB 3.96Å; L139-H171 HydrophobicContact CD2-CB 4.03Å; L139-H171 HydrophobicContact CG-CB 4.11Å; L139-H171 PolarHBondContact O-N 3.16Å; I169-H171 PolarHBondContact O-ND1 2.97Å; H171-Y187 PolarHBondContact CE1-OH 2.75Å; H171-Y187 AromaticContact NE2-CE2 3.71Å; H171-Y187 AromaticContact NE2-CZ 3.7Å; H171-Y187 PolarHBondContact NE2-OH 3.08Å; H171-V248 CarbonylContact C-O 3.24Å; H171-V248 VanDerWaalsContact CA-O 3.27Å; H171-V248 WeakPolarHBondContact CA-O 3.13Å; H171-V248 HydrophobicContact CB-CG2 4.28Å; H171-V248 WeakPolarHBondContact CD2-CG2 3.37Å; H171-V248 WeakPolarHBondContact NE2-CG2 3.21Å; H171-I250 HydrophobicContact CB-CD1 3.93Å; H171-I250 HydrophobicContact CB-CG1 4.18Å; H171-I250 HydrophobicContact CB-CG2 4.35Å |
| 172 | Q | 98.8 | Very high | 98 | Very high | 48 Ų | 48 | 44.6 Ų | 44.6 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142 | 176.7 | -173.4 | 55.9 | -89.6 | 0 | 0 | 111.1 | F137 P247 V248 L249 I250 | F137-Q172 HydrophobicContact CD1-CB 4.45Å; Q172-P247 HydrophobicContact CB-CB 4.03Å; Q172-P247 HydrophobicContact CB-CG 4.05Å; Q172-V248 PolarHBondContact N-O 3.01Å; Q172-L249 HydrophobicContact CB-CD2 4.44Å; Q172-L249 WeakPolarHBondContact O-CA 3.46Å; Q172-I250 PolarHBondContact O-N 3.36Å |
| 173 | I | 98.8 | Very high | 98.3 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 132.9 | 177.5 | -66.6 | 162.7 | 0 | 0 | 0 | 109.6 | D124 P138 I250 R252 I255 | D124-I173 HydrophobicContact CB-CD1 3.77Å; P138-I173 HydrophobicContact CB-CD1 3.9Å; P138-I173 HydrophobicContact CB-CG1 4.36Å; P138-I173 HydrophobicContact CG-CD1 3.95Å; P138-I173 HydrophobicContact CG-CG1 3.92Å; I173-I250 CarbonylContact C-O 3.57Å; I173-I250 WeakPolarHBondContact CA-O 3.27Å; I173-I250 HydrophobicContact CG1-CD1 4.4Å; I173-I250 HydrophobicContact CG1-CG1 4.19Å; I173-R252 HydrophobicContact CG2-CB 4.18Å; I173-I255 HydrophobicContact CD1-CB 4.48Å; I173-I255 HydrophobicContact CD1-CG2 3.81Å; I173-I255 HydrophobicContact CG1-CG2 4.33Å |
| 174 | V | 98.5 | Very high | 98.3 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | trans | -127.2 | 146.4 | 169.2 | -65.2 | 0 | 0 | 0 | 0 | 110.2 | I177 L249 I250 | V174-I177 HydrophobicContact CG2-CB 3.7Å; V174-I177 HydrophobicContact CG2-CD1 3.9Å; V174-I177 HydrophobicContact CG2-CG1 4.41Å; V174-I177 HydrophobicContact CG2-CG2 3.5Å; V174-L249 HydrophobicContact CG1-CD1 4.27Å; V174-L249 HydrophobicContact CG1-CD2 3.91Å; V174-L249 HydrophobicContact CG1-CG 4.48Å; V174-L249 HydrophobicContact CG2-CB 4.1Å; V174-L249 HydrophobicContact CG2-CD1 4.45Å; V174-I250 PolarHBondContact N-O 2.86Å | ||
| 175 | E | 96 | Very high | 98.3 | Very high | 172 Ų | 172 | 46.3 Ų | 46.3 | 80% | 0.804 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -82.8 | -31 | -176.6 | -61.9 | -168.1 | 159.2 | 0 | 0 | 113.2 | ||
| 176 | S | 96 | Very high | 98.3 | Very high | 120 Ų | 120 | 46.3 Ų | 46.3 | 84% | 0.839 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -129 | 105.1 | -176.3 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 177 | I | 98 | Very high | 98.3 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | trans | -157.7 | 145.7 | 179.2 | -170.1 | 162.6 | 0 | 0 | 0 | 109.8 | V174 Q181 T182 L249 T251 | V174-I177 HydrophobicContact CG2-CB 3.7Å; V174-I177 HydrophobicContact CG2-CD1 3.9Å; V174-I177 HydrophobicContact CG2-CG1 4.41Å; V174-I177 HydrophobicContact CG2-CG2 3.5Å; I177-Q181 HydrophobicContact CD1-CB 3.79Å; I177-Q181 HydrophobicContact CG1-CB 3.62Å; I177-T182 HydrophobicContact CD1-CG2 4.16Å; I177-T182 HydrophobicContact CG1-CG2 4.18Å; I177-T182 HydrophobicContact CG2-CG2 3.6Å; I177-L249 HydrophobicContact CD1-CB 3.58Å; I177-L249 HydrophobicContact CD1-CD1 3.62Å; I177-L249 HydrophobicContact CD1-CG 4.24Å; I177-T251 HydrophobicContact CG2-CG2 3.64Å | ||
| 178 | K | 98 | Very high | 98.3 | Very high | 147 Ų | 147 | 48.9 Ų | 48.9 | 64% | 0.639 | 24% | 0.241 | S | C | * | . | trans | -76.4 | 148.5 | 171.2 | -66 | -175.4 | 176 | 179.9 | 0 | 110.5 | E180 Q181 | K178-E180 PolarHBondContact O-N 3.42Å; K178-E180 VanDerWaalsContact O-N 3.16Å; K178-Q181 HydrophobicContact CB-CG 4.4Å; K178-Q181 WeakPolarHBondContact O-CB 3.36Å; K178-Q181 PolarHBondContact O-N 3.07Å | ||
| 179 | Y | 98.1 | Very high | 98.2 | Very high | 79 Ų | 79 | 52.1 Ų | 52.1 | 31% | 0.31 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -49.4 | -44.1 | 177.9 | 166.9 | -117.2 | 0 | 0 | 0 | 112.6 | Q181 T182 F184 K185 N189 | Y179-Q181 PolarHBondContact O-N 3.27Å; Y179-Q181 VanDerWaalsContact O-N 3.08Å; Y179-T182 PolarHBondContact O-N 3.12Å; Y179-T182 PolarHBondContact O-OG1 3.3Å; Y179-F184 HydrophobicContact CE2-CB 4.11Å; Y179-F184 PolarHBondContact OH-O 3.47Å; Y179-K185 HydrophobicContact CD1-CD 4.44Å; Y179-K185 HydrophobicContact CE1-CD 3.81Å; Y179-K185 HydrophobicContact CE2-CB 4.44Å; Y179-N189 WeakPolarHBondContact CE2-OD1 3.04Å; Y179-N189 PolarHBondContact OH-OD1 3.33Å |
| 180 | E | 97.6 | Very high | 98.2 | Very high | 112 Ų | 112 | 52.1 Ų | 52.1 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -61.7 | -19.2 | -178.4 | -64.8 | 71.2 | -152.9 | 0 | 0 | 114 | K178 | K178-E180 PolarHBondContact O-N 3.42Å; K178-E180 VanDerWaalsContact O-N 3.16Å |
| 181 | Q | 98.1 | Very high | 98.2 | Very high | 111 Ų | 111 | 54.9 Ų | 54.9 | 52% | 0.519 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -97.5 | -5.6 | 179.7 | -58.2 | 173.9 | -72 | 0 | 0 | 112.3 | I177 K178 Y179 | I177-Q181 HydrophobicContact CD1-CB 3.79Å; I177-Q181 HydrophobicContact CG1-CB 3.62Å; K178-Q181 HydrophobicContact CB-CG 4.4Å; K178-Q181 WeakPolarHBondContact O-CB 3.36Å; K178-Q181 PolarHBondContact O-N 3.07Å; Y179-Q181 PolarHBondContact O-N 3.27Å; Y179-Q181 VanDerWaalsContact O-N 3.08Å |
| 182 | T | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -87.9 | 156.3 | 176.8 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | I177 Y179 F184 K185 L249 T251 Q254 | I177-T182 HydrophobicContact CD1-CG2 4.16Å; I177-T182 HydrophobicContact CG1-CG2 4.18Å; I177-T182 HydrophobicContact CG2-CG2 3.6Å; Y179-T182 PolarHBondContact O-N 3.12Å; Y179-T182 PolarHBondContact O-OG1 3.3Å; T182-F184 PolarHBondContact O-N 2.82Å; T182-K185 WeakPolarHBondContact O-CB 3.41Å; T182-K185 PolarHBondContact O-N 3.35Å; T182-L249 CarbonylContact C-O 3.53Å; T182-L249 VanDerWaalsContact CA-O 3.26Å; T182-L249 WeakPolarHBondContact CA-O 3.4Å; T182-T251 HydrophobicContact CG2-CG2 4.27Å; T182-Q254 PolarHBondContact OG1-NE2 3.2Å; T182-Q254 VanDerWaalsContact OG1-NE2 3.12Å |
| 183 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.6 | -29.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K185 A186 Y187 L214 L217 V248 L249 I250 | A183-K185 PolarHBondContact O-N 2.8Å; A183-A186 WeakPolarHBondContact O-CA 3.49Å; A183-A186 WeakPolarHBondContact O-CB 3.32Å; A183-A186 PolarHBondContact O-N 2.84Å; A183-Y187 HydrophobicContact CB-CD2 4.26Å; A183-Y187 HydrophobicContact CB-CE2 3.62Å; A183-Y187 VanDerWaalsContact O-CD2 3.24Å; A183-Y187 WeakPolarHBondContact O-CD2 3.49Å; A183-Y187 PolarHBondContact O-N 3.21Å; A183-Y187 VanDerWaalsContact O-N 3.07Å; A183-L214 HydrophobicContact CB-CD1 3.91Å; A183-L217 HydrophobicContact CB-CD1 4.49Å; A183-V248 HydrophobicContact CB-CB 4.17Å; A183-V248 HydrophobicContact CB-CG2 3.63Å; A183-L249 PolarHBondContact N-O 2.86Å; A183-I250 HydrophobicContact CB-CG2 3.97Å |
| 184 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -22.4 | 177.1 | -90.8 | -115.1 | 0 | 0 | 0 | 113.7 | Y179 T182 Y187 N188 N189 F190 L194 I250 Q254 L257 F258 | Y179-F184 HydrophobicContact CE2-CB 4.11Å; Y179-F184 PolarHBondContact OH-O 3.47Å; T182-F184 PolarHBondContact O-N 2.82Å; F184-Y187 HydrophobicContact CD2-CD2 4.03Å; F184-Y187 HydrophobicContact CE2-CD2 4.42Å; F184-Y187 HydrophobicContact CG-CD2 4.42Å; F184-Y187 CarbonylContact O-C 3.58Å; F184-Y187 PolarHBondContact O-N 3.17Å; F184-N188 PolarHBondContact O-N 2.98Å; F184-N189 WeakPolarHBondContact CD1-OD1 3.45Å; F184-N189 PolarHBondContact O-N 3.4Å; F184-F190 HydrophobicContact CE1-CD2 4.1Å; F184-F190 AromaticContact CE1-CE2 4Å; F184-F190 HydrophobicContact CE1-CE2 4Å; F184-F190 HydrophobicContact CE2-CE2 4.3Å; F184-F190 HydrophobicContact CZ-CD2 4.4Å; F184-F190 AromaticContact CZ-CE2 3.89Å; F184-F190 HydrophobicContact CZ-CE2 3.89Å; F184-L194 HydrophobicContact CZ-CD1 4.4Å; F184-I250 HydrophobicContact CD2-CG2 4.01Å; F184-I250 HydrophobicContact CE2-CG2 4.25Å; F184-Q254 HydrophobicContact CB-CG 4.33Å; F184-Q254 VanDerWaalsContact CB-NE2 3.33Å; F184-Q254 HydrophobicContact CD1-CB 4.31Å; F184-Q254 HydrophobicContact CD1-CG 3.81Å; F184-Q254 HydrophobicContact CD2-CB 3.83Å; F184-Q254 HydrophobicContact CD2-CG 3.84Å; F184-Q254 HydrophobicContact CE1-CB 4.1Å; F184-Q254 HydrophobicContact CE1-CG 4.04Å; F184-Q254 HydrophobicContact CE2-CB 3.58Å; F184-Q254 HydrophobicContact CE2-CG 4.07Å; F184-Q254 HydrophobicContact CG-CB 4.19Å; F184-Q254 HydrophobicContact CG-CG 3.71Å; F184-Q254 HydrophobicContact CZ-CB 3.72Å; F184-Q254 HydrophobicContact CZ-CG 4.15Å; F184-Q254 WeakPolarHBondContact CZ-O 3.21Å; F184-L257 HydrophobicContact CD1-CD1 4.44Å; F184-L257 HydrophobicContact CE1-CD1 3.64Å; F184-L257 HydrophobicContact CZ-CD1 4.31Å; F184-F258 AromaticContact CE2-CE2 3.9Å; F184-F258 HydrophobicContact CE2-CE2 3.9Å; F184-F258 HydrophobicContact CZ-CD2 4.25Å; F184-F258 AromaticContact CZ-CE2 3.65Å; F184-F258 HydrophobicContact CZ-CE2 3.65Å |
| 185 | K | 98.7 | Very high | 98 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 168.8 | 176.4 | 59.8 | -176.2 | 176.6 | 0 | 111.8 | Y179 T182 A183 Y187 N188 L213 | Y179-K185 HydrophobicContact CD1-CD 4.44Å; Y179-K185 HydrophobicContact CE1-CD 3.81Å; Y179-K185 HydrophobicContact CE2-CB 4.44Å; T182-K185 WeakPolarHBondContact O-CB 3.41Å; T182-K185 PolarHBondContact O-N 3.35Å; A183-K185 PolarHBondContact O-N 2.8Å; K185-Y187 VanDerWaalsContact C-N 3.3Å; K185-N188 PolarHBondContact O-N 2.87Å; K185-L213 HydrophobicContact CG-CD2 4.06Å |
| 186 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.5 | -30.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A183 N188 I209 N210 L213 L214 | A183-A186 WeakPolarHBondContact O-CA 3.49Å; A183-A186 WeakPolarHBondContact O-CB 3.32Å; A183-A186 PolarHBondContact O-N 2.84Å; A186-N188 VanDerWaalsContact C-N 3.32Å; A186-I209 WeakPolarHBondContact O-CG2 3.26Å; A186-N210 PolarHBondContact O-N 3.17Å; A186-L213 HydrophobicContact CB-CB 4.29Å; A186-L213 HydrophobicContact CB-CD2 4.19Å; A186-L213 HydrophobicContact CB-CG 4.12Å; A186-L214 HydrophobicContact CB-CB 3.75Å; A186-L214 HydrophobicContact CB-CD1 4.35Å |
| 187 | Y | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -5.4 | 176.2 | -54.6 | -43.9 | 0 | 0 | 0 | 114.9 | M116 F118 H171 A183 F184 K185 N189 F190 I209 L214 | M116-Y187 HydrophobicContact CE-CE1 3.84Å; M116-Y187 WeakPolarHBondContact CE-OH 3.42Å; M116-Y187 HydrophobicContact SD-CE1 3.85Å; F118-Y187 HydrophobicContact CE1-CE1 4.41Å; F118-Y187 HydrophobicContact CE1-CE2 4.11Å; F118-Y187 AromaticContact CE1-CZ 3.84Å; F118-Y187 HydrophobicContact CZ-CD1 4.47Å; F118-Y187 AromaticContact CZ-CE1 3.97Å; F118-Y187 HydrophobicContact CZ-CE1 3.97Å; F118-Y187 HydrophobicContact CZ-CE2 4.21Å; F118-Y187 AromaticContact CZ-CZ 3.85Å; H171-Y187 PolarHBondContact CE1-OH 2.75Å; H171-Y187 AromaticContact NE2-CE2 3.71Å; H171-Y187 AromaticContact NE2-CZ 3.7Å; H171-Y187 PolarHBondContact NE2-OH 3.08Å; A183-Y187 HydrophobicContact CB-CD2 4.26Å; A183-Y187 HydrophobicContact CB-CE2 3.62Å; A183-Y187 VanDerWaalsContact O-CD2 3.24Å; A183-Y187 WeakPolarHBondContact O-CD2 3.49Å; A183-Y187 PolarHBondContact O-N 3.21Å; A183-Y187 VanDerWaalsContact O-N 3.07Å; F184-Y187 HydrophobicContact CD2-CD2 4.03Å; F184-Y187 HydrophobicContact CE2-CD2 4.42Å; F184-Y187 HydrophobicContact CG-CD2 4.42Å; F184-Y187 CarbonylContact O-C 3.58Å; F184-Y187 PolarHBondContact O-N 3.17Å; K185-Y187 VanDerWaalsContact C-N 3.3Å; Y187-N189 PolarHBondContact O-N 3.12Å; Y187-N189 VanDerWaalsContact O-N 3.16Å; Y187-F190 HydrophobicContact CD1-CE1 4.01Å; Y187-F190 AromaticContact CD1-CZ 3.91Å; Y187-F190 HydrophobicContact CD1-CZ 3.91Å; Y187-F190 HydrophobicContact CD2-CE1 4.31Å; Y187-F190 AromaticContact CD2-CE2 3.74Å; Y187-F190 HydrophobicContact CD2-CE2 3.74Å; Y187-F190 AromaticContact CD2-CZ 3.43Å; Y187-F190 HydrophobicContact CD2-CZ 3.43Å; Y187-F190 VanDerWaalsContact CD2-CZ 3.43Å; Y187-F190 HydrophobicContact CE1-CZ 4.49Å; Y187-F190 HydrophobicContact CE2-CZ 4.07Å; Y187-F190 AromaticContact CG-CE1 3.81Å; Y187-F190 HydrophobicContact CG-CE1 3.81Å; Y187-F190 AromaticContact CG-CE2 3.9Å; Y187-F190 HydrophobicContact CG-CE2 3.9Å; Y187-F190 AromaticContact CG-CZ 3.38Å; Y187-F190 HydrophobicContact CG-CZ 3.38Å; Y187-F190 WeakPolarHBondContact O-CA 3.39Å; Y187-F190 PolarHBondContact O-N 3.03Å; Y187-I209 HydrophobicContact CD1-CD1 4.19Å; Y187-I209 HydrophobicContact CD1-CG2 3.6Å; Y187-I209 HydrophobicContact CE1-CG2 4.1Å; Y187-I209 WeakPolarHBondContact O-CD1 3.25Å; Y187-L214 HydrophobicContact CE1-CD1 4.02Å; Y187-L214 HydrophobicContact CE1-CD2 3.71Å; Y187-L214 HydrophobicContact CE1-CG 4.43Å; Y187-L214 HydrophobicContact CE2-CD1 4.49Å; Y187-L214 VanDerWaalsContact OH-CD1 3.31Å; Y187-L214 WeakPolarHBondContact OH-CD1 3.41Å; Y187-L214 WeakPolarHBondContact OH-CD2 3.45Å |
| 188 | N | 98.3 | Very high | 98.1 | Very high | 56 Ų | 56 | 51 Ų | 51 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | 49.8 | 38.5 | -171.6 | -74.3 | 62 | 0 | 0 | 0 | 112.5 | F184 K185 A186 F190 S191 D207 | F184-N188 PolarHBondContact O-N 2.98Å; K185-N188 PolarHBondContact O-N 2.87Å; A186-N188 VanDerWaalsContact C-N 3.32Å; N188-F190 PolarHBondContact O-N 2.85Å; N188-S191 PolarHBondContact O-N 3.48Å; N188-D207 HydrophobicContact CB-CB 3.76Å; N188-D207 PolarHBondContact ND2-OD2 2.9Å |
| 189 | N | 98.2 | Very high | 98.1 | Very high | 68 Ų | 68 | 47 Ų | 47 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | 52.1 | 21.7 | -172.2 | -69.6 | -8.9 | 0 | 0 | 0 | 115 | Y179 F184 Y187 S191 G192 | Y179-N189 WeakPolarHBondContact CE2-OD1 3.04Å; Y179-N189 PolarHBondContact OH-OD1 3.33Å; F184-N189 WeakPolarHBondContact CD1-OD1 3.45Å; F184-N189 PolarHBondContact O-N 3.4Å; Y187-N189 PolarHBondContact O-N 3.12Å; Y187-N189 VanDerWaalsContact O-N 3.16Å; N189-S191 PolarHBondContact O-N 2.86Å; N189-S191 VanDerWaalsContact O-N 3.14Å; N189-G192 PolarHBondContact O-N 3.36Å |
| 190 | F | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | 50.1 | 34.6 | -169.9 | -51.1 | -82.3 | 0 | 0 | 0 | 112 | I83 V92 F118 F184 Y187 N188 G192 V193 L194 I209 F258 | I83-F190 HydrophobicContact CD1-CB 4.08Å; I83-F190 HydrophobicContact CD1-CD1 3.78Å; I83-F190 HydrophobicContact CD1-CG 4.14Å; V92-F190 HydrophobicContact CG2-CD1 4.14Å; V92-F190 HydrophobicContact CG2-CE1 4.14Å; F118-F190 HydrophobicContact CE1-CZ 4.32Å; F118-F190 AromaticContact CE2-CE1 3.66Å; F118-F190 HydrophobicContact CE2-CE1 3.66Å; F118-F190 AromaticContact CE2-CZ 3.67Å; F118-F190 HydrophobicContact CE2-CZ 3.67Å; F118-F190 AromaticContact CZ-CE1 3.78Å; F118-F190 HydrophobicContact CZ-CE1 3.78Å; F118-F190 AromaticContact CZ-CZ 3.48Å; F118-F190 HydrophobicContact CZ-CZ 3.48Å; F118-F190 VanDerWaalsContact CZ-CZ 3.48Å; F184-F190 HydrophobicContact CE1-CD2 4.1Å; F184-F190 AromaticContact CE1-CE2 4Å; F184-F190 HydrophobicContact CE1-CE2 4Å; F184-F190 HydrophobicContact CE2-CE2 4.3Å; F184-F190 HydrophobicContact CZ-CD2 4.4Å; F184-F190 AromaticContact CZ-CE2 3.89Å; F184-F190 HydrophobicContact CZ-CE2 3.89Å; Y187-F190 HydrophobicContact CD1-CE1 4.01Å; Y187-F190 AromaticContact CD1-CZ 3.91Å; Y187-F190 HydrophobicContact CD1-CZ 3.91Å; Y187-F190 HydrophobicContact CD2-CE1 4.31Å; Y187-F190 AromaticContact CD2-CE2 3.74Å; Y187-F190 HydrophobicContact CD2-CE2 3.74Å; Y187-F190 AromaticContact CD2-CZ 3.43Å; Y187-F190 HydrophobicContact CD2-CZ 3.43Å; Y187-F190 VanDerWaalsContact CD2-CZ 3.43Å; Y187-F190 HydrophobicContact CE1-CZ 4.49Å; Y187-F190 HydrophobicContact CE2-CZ 4.07Å; Y187-F190 AromaticContact CG-CE1 3.81Å; Y187-F190 HydrophobicContact CG-CE1 3.81Å; Y187-F190 AromaticContact CG-CE2 3.9Å; Y187-F190 HydrophobicContact CG-CE2 3.9Å; Y187-F190 AromaticContact CG-CZ 3.38Å; Y187-F190 HydrophobicContact CG-CZ 3.38Å; Y187-F190 WeakPolarHBondContact O-CA 3.39Å; Y187-F190 PolarHBondContact O-N 3.03Å; N188-F190 PolarHBondContact O-N 2.85Å; F190-G192 PolarHBondContact O-N 2.99Å; F190-G192 VanDerWaalsContact O-N 3.08Å; F190-V193 WeakPolarHBondContact O-CB 3.24Å; F190-V193 VanDerWaalsContact O-CG2 3.22Å; F190-V193 WeakPolarHBondContact O-CG2 3.48Å; F190-V193 PolarHBondContact O-N 2.86Å; F190-L194 HydrophobicContact CB-CG 4.17Å; F190-L194 HydrophobicContact CD2-CD1 3.35Å; F190-L194 HydrophobicContact CD2-CG 3.84Å; F190-L194 HydrophobicContact CE2-CD1 3.66Å; F190-L194 HydrophobicContact CG-CD1 4.13Å; F190-L194 HydrophobicContact CG-CG 4.18Å; F190-I209 HydrophobicContact CD1-CD1 4.14Å; F190-I209 HydrophobicContact CE1-CD1 4.27Å; F190-F258 HydrophobicContact CE2-CE2 4.23Å; F190-F258 AromaticContact CE2-CZ 3.8Å; F190-F258 HydrophobicContact CE2-CZ 3.8Å; F190-F258 AromaticContact CZ-CZ 3.92Å; F190-F258 HydrophobicContact CZ-CZ 3.92Å |
| 191 | S | 98.1 | Very high | 98.1 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 40% | 0.399 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | 50.9 | 29.7 | -173 | -55.4 | 0 | 0 | 0 | 0 | 114.5 | N188 N189 V193 I206 D207 | N188-S191 PolarHBondContact O-N 3.48Å; N189-S191 PolarHBondContact O-N 2.86Å; N189-S191 VanDerWaalsContact O-N 3.14Å; S191-V193 VanDerWaalsContact C-N 3.28Å; S191-V193 PolarHBondContact O-N 2.95Å; S191-I206 WeakPolarHBondContact OG-CA 3.31Å; S191-D207 PolarHBondContact OG-N 3.08Å |
| 192 | G | 97.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 42.5 Ų | 42.5 | 52% | 0.515 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | 75.7 | 10.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | N189 F190 L194 N195 | N189-G192 PolarHBondContact O-N 3.36Å; F190-G192 PolarHBondContact O-N 2.99Å; F190-G192 VanDerWaalsContact O-N 3.08Å; G192-L194 VanDerWaalsContact C-N 3.3Å; G192-L194 PolarHBondContact O-N 3.07Å; G192-N195 PolarHBondContact O-ND2 2.8Å |
| 193 | V | 98 | Very high | 98 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | trans | -71.6 | -23.1 | -175 | 178.7 | 0 | 0 | 0 | 0 | 112.6 | I83 F190 S191 N195 F198 I206 | I83-V193 HydrophobicContact CG2-CB 4.09Å; I83-V193 HydrophobicContact CG2-CG1 3.77Å; I83-V193 HydrophobicContact CG2-CG2 4.25Å; F190-V193 WeakPolarHBondContact O-CB 3.24Å; F190-V193 VanDerWaalsContact O-CG2 3.22Å; F190-V193 WeakPolarHBondContact O-CG2 3.48Å; F190-V193 PolarHBondContact O-N 2.86Å; S191-V193 VanDerWaalsContact C-N 3.28Å; S191-V193 PolarHBondContact O-N 2.95Å; V193-N195 PolarHBondContact O-N 2.8Å; V193-N195 PolarHBondContact O-ND2 3.28Å; V193-F198 HydrophobicContact CG1-CB 4.34Å; V193-F198 HydrophobicContact CG1-CD1 3.74Å; V193-F198 HydrophobicContact CG1-CD2 3.42Å; V193-F198 VanDerWaalsContact CG1-CD2 3.42Å; V193-F198 HydrophobicContact CG1-CE1 3.75Å; V193-F198 HydrophobicContact CG1-CE2 3.45Å; V193-F198 VanDerWaalsContact CG1-CE2 3.45Å; V193-F198 HydrophobicContact CG1-CG 3.57Å; V193-F198 HydrophobicContact CG1-CZ 3.61Å; V193-F198 VanDerWaalsContact O-CB 3.29Å; V193-F198 WeakPolarHBondContact O-CB 3.33Å; V193-I206 HydrophobicContact CG2-CG2 3.84Å | ||
| 194 | L | 98 | Very high | 98 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | trans | -74.5 | 83.7 | -179.1 | -59.1 | -171.9 | 0 | 0 | 0 | 112.5 | I83 A90 F184 F190 G192 L257 F258 L261 | I83-L194 HydrophobicContact CD1-CD2 4.11Å; A90-L194 HydrophobicContact CB-CD2 4.03Å; F184-L194 HydrophobicContact CZ-CD1 4.4Å; F190-L194 HydrophobicContact CB-CG 4.17Å; F190-L194 HydrophobicContact CD2-CD1 3.35Å; F190-L194 HydrophobicContact CD2-CG 3.84Å; F190-L194 HydrophobicContact CE2-CD1 3.66Å; F190-L194 HydrophobicContact CG-CD1 4.13Å; F190-L194 HydrophobicContact CG-CG 4.18Å; G192-L194 VanDerWaalsContact C-N 3.3Å; G192-L194 PolarHBondContact O-N 3.07Å; L194-L257 HydrophobicContact CB-CB 3.88Å; L194-L257 HydrophobicContact CD1-CB 4.34Å; L194-F258 HydrophobicContact CD1-CD1 4.08Å; L194-F258 HydrophobicContact CD1-CD2 4.05Å; L194-F258 HydrophobicContact CD1-CE1 3.88Å; L194-F258 HydrophobicContact CD1-CE2 3.86Å; L194-F258 HydrophobicContact CD1-CG 4.17Å; L194-F258 HydrophobicContact CD1-CZ 3.77Å; L194-L261 HydrophobicContact CB-CD1 4.03Å; L194-L261 HydrophobicContact CD2-CD1 3.92Å; L194-L261 HydrophobicContact CD2-CD2 4.17Å | ||
| 195 | N | 97.4 | Very high | 98 | Very high | 59 Ų | 59 | 53.9 Ų | 53.9 | 32% | 0.316 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -147.7 | 173.6 | 177.6 | 66.9 | 64.8 | 0 | 0 | 0 | 111.6 | G192 V193 Q197 F198 | G192-N195 PolarHBondContact O-ND2 2.8Å; V193-N195 PolarHBondContact O-N 2.8Å; V193-N195 PolarHBondContact O-ND2 3.28Å; N195-Q197 PolarHBondContact O-N 3.4Å; N195-Q197 VanDerWaalsContact O-N 3.13Å; N195-Q197 WeakPolarHBondContact OD1-CA 3.26Å; N195-Q197 WeakPolarHBondContact OD1-CB 3.44Å; N195-Q197 PolarHBondContact OD1-N 2.94Å; N195-F198 PolarHBondContact O-N 2.99Å; N195-F198 VanDerWaalsContact O-N 3.17Å |
| 196 | S | 96.7 | Very high | 98 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.3 | -175.1 | -67.7 | 0 | 0 | 0 | 0 | 115.3 | N260 | S196-N260 WeakPolarHBondContact CA-O 3.39Å; S196-N260 PolarHBondContact OG-O 3.15Å |
| 197 | Q | 97.3 | Very high | 97.9 | Very high | 162 Ų | 162 | 55.1 Ų | 55.1 | 76% | 0.757 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -10 | 179.6 | -59.3 | 178.8 | -7 | 0 | 0 | 112.8 | N195 V199 | N195-Q197 PolarHBondContact O-N 3.4Å; N195-Q197 VanDerWaalsContact O-N 3.13Å; N195-Q197 WeakPolarHBondContact OD1-CA 3.26Å; N195-Q197 WeakPolarHBondContact OD1-CB 3.44Å; N195-Q197 PolarHBondContact OD1-N 2.94Å; Q197-V199 PolarHBondContact O-N 2.8Å |
| 198 | F | 98.1 | Very high | 97.9 | Very high | 12 Ų | 12 | 57 Ų | 57 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | trans | -78.6 | 72.6 | 176.9 | -170.1 | -129.9 | 0 | 0 | 0 | 110.8 | I83 N85 V193 N195 N202 L261 | I83-F198 HydrophobicContact CG1-CE1 4.45Å; I83-F198 HydrophobicContact CG2-CE1 4.43Å; I83-F198 HydrophobicContact CG2-CZ 3.98Å; N85-F198 HydrophobicContact CB-CD1 3.73Å; N85-F198 HydrophobicContact CB-CE1 3.62Å; N85-F198 HydrophobicContact CB-CG 4.33Å; N85-F198 HydrophobicContact CB-CZ 4.13Å; N85-F198 PolarHBondContact ND2-O 2.98Å; V193-F198 HydrophobicContact CG1-CB 4.34Å; V193-F198 HydrophobicContact CG1-CD1 3.74Å; V193-F198 HydrophobicContact CG1-CD2 3.42Å; V193-F198 VanDerWaalsContact CG1-CD2 3.42Å; V193-F198 HydrophobicContact CG1-CE1 3.75Å; V193-F198 HydrophobicContact CG1-CE2 3.45Å; V193-F198 VanDerWaalsContact CG1-CE2 3.45Å; V193-F198 HydrophobicContact CG1-CG 3.57Å; V193-F198 HydrophobicContact CG1-CZ 3.61Å; V193-F198 VanDerWaalsContact O-CB 3.29Å; V193-F198 WeakPolarHBondContact O-CB 3.33Å; N195-F198 PolarHBondContact O-N 2.99Å; N195-F198 VanDerWaalsContact O-N 3.17Å; F198-N202 HydrophobicContact CD2-CB 4.11Å; F198-N202 HydrophobicContact CE2-CB 4.07Å; F198-N202 VanDerWaalsContact CE2-O 3.31Å; F198-N202 WeakPolarHBondContact CE2-O 3.37Å; F198-N202 WeakPolarHBondContact CZ-O 3.42Å; F198-L261 HydrophobicContact CD1-CD2 4.22Å; F198-L261 HydrophobicContact CD1-CG 4.4Å | ||
| 199 | V | 97.9 | Very high | 97.9 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 38% | 0.376 | 32% | 0.322 | S | S | . | . | trans | -81.8 | 148.1 | -173.8 | -58 | 0 | 0 | 0 | 0 | 112.4 | Q197 N202 P262 | Q197-V199 PolarHBondContact O-N 2.8Å; V199-N202 WeakPolarHBondContact CG2-ND2 3.18Å; V199-N202 WeakPolarHBondContact O-CA 3.45Å; V199-N202 WeakPolarHBondContact O-CB 3.47Å; V199-N202 PolarHBondContact O-N 2.84Å; V199-N202 PolarHBondContact O-ND2 2.79Å; V199-P262 HydrophobicContact CB-CG 4.29Å; V199-P262 HydrophobicContact CG1-CG 3.91Å | ||
| 200 | P | 97.8 | Very high | 97.9 | Very high | 37 Ų | 37 | 54.4 Ų | 54.4 | 24% | 0.24 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 145.7 | 173.1 | -14.6 | 25.5 | 0 | 0 | 0 | 111.9 | N85 | N85-P200 WeakPolarHBondContact ND2-CD 3.33Å; N85-P200 WeakPolarHBondContact O-CA 3.47Å |
| 201 | P | 97.4 | Very high | 97.9 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -95.4 | 35.7 | -5.2 | 39 | -35.1 | 0 | 0 | 0 | 112.3 | Q84 N85 | Q84-P201 PolarHBondContact NE2-O 2.95Å; N85-P201 CarbonylContact O-C 3.24Å; N85-P201 WeakPolarHBondContact O-CA 3.42Å |
| 202 | N | 97.9 | Very high | 98 | Very high | 78 Ų | 78 | 53.7 Ų | 53.7 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | trans | -59.2 | 144.3 | -171.4 | -72.8 | -143.8 | 0 | 0 | 0 | 110.7 | Q84 N85 F198 V199 | Q84-N202 WeakPolarHBondContact CA-O 3.35Å; Q84-N202 WeakPolarHBondContact CG-O 3.49Å; N85-N202 PolarHBondContact N-O 2.83Å; F198-N202 HydrophobicContact CD2-CB 4.11Å; F198-N202 HydrophobicContact CE2-CB 4.07Å; F198-N202 VanDerWaalsContact CE2-O 3.31Å; F198-N202 WeakPolarHBondContact CE2-O 3.37Å; F198-N202 WeakPolarHBondContact CZ-O 3.42Å; V199-N202 WeakPolarHBondContact CG2-ND2 3.18Å; V199-N202 WeakPolarHBondContact O-CA 3.45Å; V199-N202 WeakPolarHBondContact O-CB 3.47Å; V199-N202 PolarHBondContact O-N 2.84Å; V199-N202 PolarHBondContact O-ND2 2.79Å | ||
| 203 | N | 97.4 | Very high | 98 | Very high | 112 Ų | 112 | 53.8 Ų | 53.8 | 60% | 0.599 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 157.9 | 171 | 67.5 | 46 | 0 | 0 | 0 | 110.4 | I83 Q84 | I83-N203 CarbonylContact O-C 3.6Å; I83-N203 WeakPolarHBondContact O-CA 3.25Å; I83-N203 WeakPolarHBondContact O-CB 3.41Å; Q84-N203 HydrophobicContact CB-CB 4.15Å; Q84-N203 HydrophobicContact CG-CB 4.28Å |
| 204 | S | 98.2 | Very high | 98 | Very high | 43 Ų | 43 | 53 Ų | 53 | 30% | 0.301 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 146.2 | 172.9 | -174 | 0 | 0 | 0 | 0 | 109.7 | T82 I83 | T82-S204 CarbonylContact C-O 3.56Å; T82-S204 VanDerWaalsContact CA-O 3.25Å; T82-S204 WeakPolarHBondContact CA-O 3.46Å; T82-S204 WeakPolarHBondContact CB-O 2.87Å; I83-S204 PolarHBondContact N-O 2.99Å; I83-S204 PolarHBondContact O-N 3.46Å |
| 205 | T | 98.5 | Very high | 98.1 | Very high | 84 Ų | 84 | 53 Ų | 53 | 52% | 0.515 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 140 | 163 | -59.9 | 0 | 0 | 0 | 0 | 108.8 | T80 | T80-T205 HydrophobicContact CG2-CG2 4.13Å |
| 206 | I | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 164.5 | 178.7 | 59.7 | 163.9 | 0 | 0 | 0 | 110.3 | T81 I83 V92 S191 V193 I209 | T81-I206 HydrophobicContact CG2-CD1 4.18Å; T81-I206 HydrophobicContact CG2-CG1 4.04Å; T81-I206 PolarHBondContact O-N 2.91Å; I83-I206 HydrophobicContact CB-CD1 4.08Å; I83-I206 HydrophobicContact CB-CG2 4.27Å; I83-I206 HydrophobicContact CG2-CD1 4.49Å; I83-I206 HydrophobicContact CG2-CG2 3.53Å; V92-I206 HydrophobicContact CG1-CD1 4.23Å; V92-I206 HydrophobicContact CG2-CD1 4.21Å; S191-I206 WeakPolarHBondContact OG-CA 3.31Å; V193-I206 HydrophobicContact CG2-CG2 3.84Å; I206-I209 HydrophobicContact CD1-CD1 4Å; I206-I209 HydrophobicContact CD1-CG1 4.48Å |
| 207 | D | 98 | Very high | 98.2 | Very high | 93 Ų | 93 | 53.9 Ų | 53.9 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 139.6 | 164.3 | -73.7 | -4.9 | 0 | 0 | 0 | 109.5 | N188 S191 | N188-D207 HydrophobicContact CB-CB 3.76Å; N188-D207 PolarHBondContact ND2-OD2 2.9Å; S191-D207 PolarHBondContact OG-N 3.08Å |
| 208 | D | 98.1 | Very high | 98.2 | Very high | 40 Ų | 40 | 46.9 Ų | 46.9 | 21% | 0.214 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 141.2 | 179.6 | -167.2 | 23.1 | 0 | 0 | 0 | 111.1 | R73 T81 W99 | R73-D208 IonicContact CZ-OD2 3.74Å; R73-D208 IonicContact NE-OD2 2.68Å; R73-D208 PolarHBondContact NE-OD2 3.35Å; R73-D208 IonicContact NH2-OD2 3.37Å; R73-D208 PolarHBondContact NH2-OD2 3.44Å; T81-D208 PolarHBondContact OG1-OD1 2.76Å; W99-D208 PolarHBondContact NE1-OD1 3.21Å; W99-D208 PolarHBondContact NE1-OD2 3.45Å; W99-D208 VanDerWaalsContact NE1-OD2 3.1Å |
| 209 | I | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 125.4 | -179.5 | -52.8 | -61.9 | 0 | 0 | 0 | 108.7 | V92 F94 W99 A186 Y187 F190 I206 L211 | V92-I209 HydrophobicContact CG1-CG1 3.95Å; V92-I209 HydrophobicContact CG2-CG1 4.48Å; F94-I209 HydrophobicContact CE1-CB 3.87Å; F94-I209 HydrophobicContact CE1-CG1 4.09Å; F94-I209 HydrophobicContact CZ-CB 3.95Å; F94-I209 HydrophobicContact CZ-CG1 4.08Å; W99-I209 WeakPolarHBondContact CZ2-O 3.48Å; A186-I209 WeakPolarHBondContact O-CG2 3.26Å; Y187-I209 HydrophobicContact CD1-CD1 4.19Å; Y187-I209 HydrophobicContact CD1-CG2 3.6Å; Y187-I209 HydrophobicContact CE1-CG2 4.1Å; Y187-I209 WeakPolarHBondContact O-CD1 3.25Å; F190-I209 HydrophobicContact CD1-CD1 4.14Å; F190-I209 HydrophobicContact CE1-CD1 4.27Å; I206-I209 HydrophobicContact CD1-CD1 4Å; I206-I209 HydrophobicContact CD1-CG1 4.48Å; I209-L211 VanDerWaalsContact C-N 3.32Å; I209-L211 HydrophobicContact CB-CD2 4.29Å; I209-L211 HydrophobicContact CG2-CD2 3.64Å; I209-L211 HydrophobicContact CG2-CG 4.25Å; I209-L211 PolarHBondContact O-N 3.17Å |
| 210 | N | 98.5 | Very high | 98.3 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | trans | -79.6 | 82.3 | 175.4 | -169.8 | -17.4 | 0 | 0 | 0 | 110.7 | A186 A212 L213 L214 | A186-N210 PolarHBondContact O-N 3.17Å; N210-A212 VanDerWaalsContact C-N 3.27Å; N210-A212 PolarHBondContact O-N 3.01Å; N210-A212 PolarHBondContact OD1-N 2.83Å; N210-L213 HydrophobicContact CB-CB 3.92Å; N210-L213 WeakPolarHBondContact O-CB 3.49Å; N210-L213 PolarHBondContact O-N 2.97Å; N210-L213 VanDerWaalsContact O-N 3.16Å; N210-L213 PolarHBondContact OD1-N 2.75Å; N210-L214 PolarHBondContact O-N 2.79Å | ||
| 211 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -28.4 | -176.8 | -62.9 | 179.5 | 0 | 0 | 0 | 113.4 | I71 F94 W99 I113 M116 I143 I209 L214 L215 | I71-L211 HydrophobicContact CD1-CB 4.27Å; I71-L211 HydrophobicContact CG2-CB 3.6Å; I71-L211 HydrophobicContact CG2-CD1 4.46Å; F94-L211 HydrophobicContact CE1-CD1 4.2Å; F94-L211 HydrophobicContact CE1-CG 4.42Å; F94-L211 HydrophobicContact CE2-CD1 4.01Å; F94-L211 HydrophobicContact CZ-CD1 3.75Å; F94-L211 HydrophobicContact CZ-CD2 3.98Å; F94-L211 HydrophobicContact CZ-CG 4.03Å; W99-L211 HydrophobicContact CB-CD1 4.14Å; W99-L211 HydrophobicContact CD2-CB 4.25Å; W99-L211 HydrophobicContact CD2-CD1 3.95Å; W99-L211 HydrophobicContact CD2-CG 4.29Å; W99-L211 HydrophobicContact CE3-CB 3.99Å; W99-L211 HydrophobicContact CE3-CD1 4.31Å; W99-L211 HydrophobicContact CG-CD1 3.89Å; W99-L211 HydrophobicContact CH2-CB 4.19Å; W99-L211 HydrophobicContact CZ2-CB 4.43Å; W99-L211 HydrophobicContact CZ3-CB 3.96Å; I113-L211 HydrophobicContact CD1-CD1 3.76Å; I113-L211 HydrophobicContact CG2-CD1 4.22Å; M116-L211 HydrophobicContact SD-CD2 4.05Å; I143-L211 HydrophobicContact CD1-CD2 3.96Å; I143-L211 HydrophobicContact CG1-CD2 4.45Å; I143-L211 HydrophobicContact CG2-CD1 4.49Å; I209-L211 VanDerWaalsContact C-N 3.32Å; I209-L211 HydrophobicContact CB-CD2 4.29Å; I209-L211 HydrophobicContact CG2-CD2 3.64Å; I209-L211 HydrophobicContact CG2-CG 4.25Å; I209-L211 PolarHBondContact O-N 3.17Å; L211-L214 HydrophobicContact CD2-CD2 4.27Å; L211-L214 PolarHBondContact O-N 3.15Å; L211-L215 WeakPolarHBondContact O-CB 3.12Å; L211-L215 PolarHBondContact O-N 2.49Å |
| 212 | A | 98.5 | Very high | 98.3 | Very high | 42 Ų | 42 | 47.6 Ų | 47.6 | 35% | 0.347 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | W99 N210 L215 S216 | W99-A212 HydrophobicContact CH2-CB 4.35Å; W99-A212 HydrophobicContact CZ3-CB 4.15Å; N210-A212 VanDerWaalsContact C-N 3.27Å; N210-A212 PolarHBondContact O-N 3.01Å; N210-A212 PolarHBondContact OD1-N 2.83Å; A212-L215 PolarHBondContact O-N 2.77Å; A212-S216 PolarHBondContact O-N 2.87Å; A212-S216 VanDerWaalsContact O-N 3.1Å |
| 213 | L | 98.6 | Very high | 98.4 | Very high | 52 Ų | 52 | 43.9 Ų | 43.9 | 27% | 0.272 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 172.4 | 176.4 | 61.5 | 0 | 0 | 0 | 110.7 | K185 A186 N210 L215 S216 L217 | K185-L213 HydrophobicContact CG-CD2 4.06Å; A186-L213 HydrophobicContact CB-CB 4.29Å; A186-L213 HydrophobicContact CB-CD2 4.19Å; A186-L213 HydrophobicContact CB-CG 4.12Å; N210-L213 HydrophobicContact CB-CB 3.92Å; N210-L213 WeakPolarHBondContact O-CB 3.49Å; N210-L213 PolarHBondContact O-N 2.97Å; N210-L213 VanDerWaalsContact O-N 3.16Å; N210-L213 PolarHBondContact OD1-N 2.75Å; L213-L215 VanDerWaalsContact C-N 3.29Å; L213-L215 PolarHBondContact O-N 3.02Å; L213-S216 PolarHBondContact O-N 2.88Å; L213-S216 PolarHBondContact O-OG 3.31Å; L213-L217 PolarHBondContact O-N 3.33Å |
| 214 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.8 | -48.2 | 177.8 | 178.7 | 66.4 | 0 | 0 | 0 | 111.3 | M116 I143 I169 A183 A186 Y187 N210 L211 S216 L217 V248 | M116-L214 HydrophobicContact CE-CD2 3.88Å; M116-L214 HydrophobicContact SD-CD2 4.23Å; I143-L214 HydrophobicContact CD1-CD2 4.32Å; I169-L214 HydrophobicContact CD1-CD2 3.57Å; I169-L214 HydrophobicContact CD1-CG 4.02Å; A183-L214 HydrophobicContact CB-CD1 3.91Å; A186-L214 HydrophobicContact CB-CB 3.75Å; A186-L214 HydrophobicContact CB-CD1 4.35Å; Y187-L214 HydrophobicContact CE1-CD1 4.02Å; Y187-L214 HydrophobicContact CE1-CD2 3.71Å; Y187-L214 HydrophobicContact CE1-CG 4.43Å; Y187-L214 HydrophobicContact CE2-CD1 4.49Å; Y187-L214 VanDerWaalsContact OH-CD1 3.31Å; Y187-L214 WeakPolarHBondContact OH-CD1 3.41Å; Y187-L214 WeakPolarHBondContact OH-CD2 3.45Å; N210-L214 PolarHBondContact O-N 2.79Å; L211-L214 HydrophobicContact CD2-CD2 4.27Å; L211-L214 PolarHBondContact O-N 3.15Å; L214-S216 VanDerWaalsContact C-N 3.28Å; L214-S216 PolarHBondContact O-N 2.86Å; L214-L217 WeakPolarHBondContact O-CB 3.32Å; L214-L217 PolarHBondContact O-N 3.12Å; L214-V248 HydrophobicContact CD1-CG1 4.31Å; L214-V248 HydrophobicContact CD1-CG2 4.38Å |
| 215 | L | 98.4 | Very high | 98.5 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -29.9 | -179.4 | -170.7 | 68.2 | 0 | 0 | 0 | 112.7 | V69 I71 L211 A212 L213 L217 L218 P220 F244 | V69-L215 HydrophobicContact CB-CD2 4.48Å; V69-L215 HydrophobicContact CG1-CD2 4.32Å; I71-L215 HydrophobicContact CB-CD2 4.22Å; I71-L215 HydrophobicContact CD1-CB 4.2Å; I71-L215 HydrophobicContact CD1-CD2 4.08Å; I71-L215 HydrophobicContact CG1-CD2 3.93Å; L211-L215 WeakPolarHBondContact O-CB 3.12Å; L211-L215 PolarHBondContact O-N 2.49Å; A212-L215 PolarHBondContact O-N 2.77Å; L213-L215 VanDerWaalsContact C-N 3.29Å; L213-L215 PolarHBondContact O-N 3.02Å; L215-L217 PolarHBondContact O-N 3.41Å; L215-L218 HydrophobicContact CD1-CD1 3.86Å; L215-L218 WeakPolarHBondContact O-CD1 3.24Å; L215-L218 WeakPolarHBondContact O-CG 3.02Å; L215-L218 PolarHBondContact O-N 3.39Å; L215-P220 HydrophobicContact CD1-CB 4.27Å; L215-P220 HydrophobicContact CD2-CB 4.08Å; L215-P220 HydrophobicContact CG-CB 4Å; L215-F244 HydrophobicContact CD1-CD2 4.35Å; L215-F244 HydrophobicContact CD1-CE1 3.85Å; L215-F244 HydrophobicContact CD1-CE2 3.6Å; L215-F244 HydrophobicContact CD1-CZ 3.32Å |
| 216 | S | 98.2 | Very high | 98.5 | Very high | 78 Ų | 78 | 33.9 Ų | 33.9 | 55% | 0.545 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -72.1 | -13.1 | 176.6 | 77.5 | 0 | 0 | 0 | 0 | 114.3 | A212 L213 L214 L218 | A212-S216 PolarHBondContact O-N 2.87Å; A212-S216 VanDerWaalsContact O-N 3.1Å; L213-S216 PolarHBondContact O-N 2.88Å; L213-S216 PolarHBondContact O-OG 3.31Å; L214-S216 VanDerWaalsContact C-N 3.28Å; L214-S216 PolarHBondContact O-N 2.86Å; S216-L218 PolarHBondContact O-N 2.92Å |
| 217 | L | 98.3 | Very high | 98.5 | Very high | 55 Ų | 55 | 38.8 Ų | 38.8 | 29% | 0.288 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -9.1 | 175.9 | -62.4 | 174.7 | 0 | 0 | 0 | 112.8 | A183 L213 L214 L215 V248 | A183-L217 HydrophobicContact CB-CD1 4.49Å; L213-L217 PolarHBondContact O-N 3.33Å; L214-L217 WeakPolarHBondContact O-CB 3.32Å; L214-L217 PolarHBondContact O-N 3.12Å; L215-L217 PolarHBondContact O-N 3.41Å; L217-V248 HydrophobicContact CB-CB 4.3Å; L217-V248 HydrophobicContact CB-CG1 3.74Å |
| 218 | L | 98.3 | Very high | 98.5 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -129.7 | 177.7 | 177.1 | 61.3 | 73.8 | 0 | 0 | 0 | 110.4 | I169 L215 S216 P220 F244 D246 V248 | I169-L218 HydrophobicContact CG1-CD2 4.42Å; I169-L218 HydrophobicContact CG2-CD2 4.01Å; L215-L218 HydrophobicContact CD1-CD1 3.86Å; L215-L218 WeakPolarHBondContact O-CD1 3.24Å; L215-L218 WeakPolarHBondContact O-CG 3.02Å; L215-L218 PolarHBondContact O-N 3.39Å; S216-L218 PolarHBondContact O-N 2.92Å; L218-P220 WeakPolarHBondContact O-CD 3.47Å; L218-F244 HydrophobicContact CD1-CB 4.02Å; L218-F244 HydrophobicContact CD1-CD1 3.64Å; L218-F244 HydrophobicContact CD1-CD2 4.3Å; L218-F244 HydrophobicContact CD1-CE1 4.2Å; L218-F244 HydrophobicContact CD1-CG 3.71Å; L218-F244 HydrophobicContact CD2-CB 3.72Å; L218-F244 HydrophobicContact CD2-CD2 3.98Å; L218-F244 HydrophobicContact CD2-CG 3.86Å; L218-F244 HydrophobicContact CG-CB 4.5Å; L218-F244 HydrophobicContact CG-CG 4.49Å; L218-D246 HydrophobicContact CB-CB 4.22Å; L218-D246 WeakPolarHBondContact CB-O 3.38Å; L218-V248 HydrophobicContact CB-CG1 4.17Å; L218-V248 HydrophobicContact CD2-CG1 3.91Å; L218-V248 HydrophobicContact CG-CG1 4.25Å |
| 219 | N | 98.3 | Very high | 98.5 | Very high | 61 Ų | 61 | 32.6 Ų | 32.6 | 33% | 0.326 | 18% | 0.179 | S | C | . | . | trans | -86.8 | 106.3 | 173.1 | -172.3 | -17.7 | 0 | 0 | 0 | 111.4 | S221 R222 D246 | N219-S221 PolarHBondContact O-N 3.44Å; N219-S221 WeakPolarHBondContact OD1-CB 3.32Å; N219-S221 PolarHBondContact OD1-N 3.09Å; N219-R222 HydrophobicContact CB-CB 4.01Å; N219-R222 PolarHBondContact O-N 3.49Å; N219-R222 VanDerWaalsContact O-N 3.08Å; N219-D246 WeakPolarHBondContact CB-OD2 3.3Å | ||
| 220 | P | 98.3 | Very high | 98.5 | Very high | 34 Ų | 34 | 34.1 Ų | 34.1 | 22% | 0.221 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -6.3 | -177.3 | 28.4 | -36.3 | 0 | 0 | 0 | 114.5 | T68 V69 L215 L218 Y223 | T68-P220 WeakPolarHBondContact OG1-CG 3.39Å; V69-P220 PolarHBondContact N-O 2.8Å; V69-P220 WeakPolarHBondContact O-CB 3.48Å; L215-P220 HydrophobicContact CD1-CB 4.27Å; L215-P220 HydrophobicContact CD2-CB 4.08Å; L215-P220 HydrophobicContact CG-CB 4Å; L218-P220 WeakPolarHBondContact O-CD 3.47Å; P220-Y223 WeakPolarHBondContact O-CD1 3.43Å |
| 221 | S | 98.4 | Very high | 98.5 | Very high | 22 Ų | 22 | 31 Ų | 31 | 15% | 0.154 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -7.3 | 175.1 | -63.5 | 0 | 0 | 0 | 0 | 113.7 | T68 N219 A296 T297 | T68-S221 WeakPolarHBondContact CB-OG 3.17Å; T68-S221 PolarHBondContact OG1-OG 3.21Å; T68-S221 VanDerWaalsContact OG1-OG 3.14Å; N219-S221 PolarHBondContact O-N 3.44Å; N219-S221 WeakPolarHBondContact OD1-CB 3.32Å; N219-S221 PolarHBondContact OD1-N 3.09Å; S221-A296 CarbonylContact O-C 3.55Å; S221-T297 CarbonylContact O-C 3.5Å; S221-T297 VanDerWaalsContact O-CA 3.24Å; S221-T297 WeakPolarHBondContact O-CA 3.4Å; S221-T297 PolarHBondContact O-N 3.46Å |
| 222 | R | 98.5 | Very high | 98.5 | Very high | 101 Ų | 101 | 32.6 Ų | 32.6 | 38% | 0.381 | 18% | 0.181 | S | C | . | . | trans | -112.3 | 94.3 | -174.5 | -164.9 | -171.2 | -175.1 | -148.4 | -1.6 | 110.7 | N219 I245 D246 | N219-R222 HydrophobicContact CB-CB 4.01Å; N219-R222 PolarHBondContact O-N 3.49Å; N219-R222 VanDerWaalsContact O-N 3.08Å; R222-I245 HydrophobicContact CG-CB 4.08Å; R222-I245 HydrophobicContact CG-CD1 3.96Å; R222-I245 HydrophobicContact CG-CG1 4.42Å; R222-I245 PolarHBondContact O-N 3.15Å; R222-D246 WeakPolarHBondContact CD-OD2 3.45Å; R222-D246 IonicContact CZ-OD1 2.59Å; R222-D246 IonicContact NH1-OD1 3.42Å; R222-D246 PolarHBondContact NH1-OD1 3.19Å | ||
| 223 | Y | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 158.3 | -174.6 | 56.6 | -99.6 | 0 | 0 | 0 | 113 | L66 K67 V69 P220 R225 T242 V243 F244 R295 A296 | L66-Y223 HydrophobicContact CB-CE2 4.26Å; L66-Y223 WeakPolarHBondContact CB-OH 3.23Å; L66-Y223 HydrophobicContact CD1-CE2 4.13Å; K67-Y223 PolarHBondContact N-OH 3.34Å; K67-Y223 VanDerWaalsContact O-CE1 3.27Å; K67-Y223 WeakPolarHBondContact O-CE1 3.48Å; K67-Y223 PolarHBondContact O-OH 3.01Å; V69-Y223 HydrophobicContact CG2-CD1 4.04Å; V69-Y223 HydrophobicContact CG2-CE1 3.72Å; P220-Y223 WeakPolarHBondContact O-CD1 3.43Å; Y223-R225 HydrophobicContact CD2-CB 4.32Å; Y223-R225 HydrophobicContact CE2-CB 4.25Å; Y223-R225 VanDerWaalsContact CE2-NH2 3.32Å; Y223-T242 HydrophobicContact CD1-CG2 4.27Å; Y223-T242 HydrophobicContact CD2-CG2 3.61Å; Y223-T242 HydrophobicContact CE2-CG2 4.12Å; Y223-T242 HydrophobicContact CG-CG2 3.67Å; Y223-V243 CarbonylContact C-O 3.59Å; Y223-V243 WeakPolarHBondContact CA-O 3.48Å; Y223-V243 VanDerWaalsContact CB-O 3.32Å; Y223-V243 WeakPolarHBondContact CB-O 3.23Å; Y223-F244 HydrophobicContact CD1-CD1 4.4Å; Y223-F244 HydrophobicContact CD1-CE1 4.19Å; Y223-R295 CarbonylContact O-C 3.54Å; Y223-R295 WeakPolarHBondContact O-CA 3.25Å; Y223-A296 HydrophobicContact CD1-CB 4.02Å; Y223-A296 HydrophobicContact CD2-CB 3.71Å; Y223-A296 HydrophobicContact CE1-CB 3.73Å; Y223-A296 HydrophobicContact CE2-CB 3.42Å; Y223-A296 VanDerWaalsContact CE2-CB 3.42Å; Y223-A296 HydrophobicContact CG-CB 4.02Å; Y223-A296 VanDerWaalsContact CZ-CB 3.44Å; Y223-A296 PolarHBondContact N-O 3.31Å; Y223-A296 PolarHBondContact O-N 3.2Å |
| 224 | F | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 152.8 | 162.1 | -71.7 | -81.8 | 0 | 0 | 0 | 111.1 | L55 I132 T242 V243 I245 L293 Y294 R295 | L55-F224 HydrophobicContact CB-CD1 4.35Å; L55-F224 HydrophobicContact CB-CD2 3.67Å; L55-F224 HydrophobicContact CB-CE1 4.38Å; L55-F224 HydrophobicContact CB-CE2 3.71Å; L55-F224 HydrophobicContact CB-CG 3.99Å; L55-F224 HydrophobicContact CB-CZ 4.07Å; L55-F224 HydrophobicContact CD1-CB 4.27Å; L55-F224 HydrophobicContact CD1-CD2 3.86Å; L55-F224 HydrophobicContact CD1-CG 4.29Å; L55-F224 HydrophobicContact CD2-CB 3.95Å; L55-F224 HydrophobicContact CD2-CD2 4.49Å; L55-F224 HydrophobicContact CD2-CG 4.16Å; L55-F224 HydrophobicContact CG-CD2 4.23Å; L55-F224 HydrophobicContact CG-CG 4.39Å; I132-F224 HydrophobicContact CG2-CE2 4.21Å; F224-T242 WeakPolarHBondContact O-CA 3.16Å; F224-V243 PolarHBondContact N-O 2.76Å; F224-V243 PolarHBondContact O-N 3.08Å; F224-I245 HydrophobicContact CD2-CD1 3.9Å; F224-I245 HydrophobicContact CD2-CG1 3.59Å; F224-I245 HydrophobicContact CE2-CD1 3.69Å; F224-I245 HydrophobicContact CE2-CG1 3.58Å; F224-I245 HydrophobicContact CZ-CD1 4.26Å; F224-L293 HydrophobicContact CB-CD1 4.01Å; F224-L293 HydrophobicContact CD1-CD1 3.78Å; F224-L293 HydrophobicContact CD1-CD2 3.93Å; F224-L293 HydrophobicContact CD1-CG 3.86Å; F224-L293 HydrophobicContact CE1-CD2 4.03Å; F224-L293 HydrophobicContact CE1-CG 4.36Å; F224-L293 HydrophobicContact CG-CD1 4.26Å; F224-Y294 CarbonylContact C-O 3.57Å; F224-Y294 VanDerWaalsContact CA-O 3.31Å; F224-Y294 WeakPolarHBondContact CA-O 3.34Å; F224-R295 HydrophobicContact CD1-CB 4.12Å; F224-R295 HydrophobicContact CD1-CG 4.43Å; F224-R295 HydrophobicContact CE1-CB 4.24Å; F224-R295 HydrophobicContact CE1-CG 4.37Å |
| 225 | R | 98.9 | Very high | 98.3 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 9% | 0.087 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 128 | -178.5 | 173.3 | 64.9 | 57.1 | 71.7 | 3.5 | 110.2 | L66 Y223 W241 T242 Y294 | L66-R225 HydrophobicContact CD1-CB 3.96Å; L66-R225 HydrophobicContact CD1-CG 4.24Å; L66-R225 HydrophobicContact CD2-CG 4.45Å; Y223-R225 HydrophobicContact CD2-CB 4.32Å; Y223-R225 HydrophobicContact CE2-CB 4.25Å; Y223-R225 VanDerWaalsContact CE2-NH2 3.32Å; R225-W241 WeakPolarHBondContact CA-O 3.27Å; R225-W241 WeakPolarHBondContact CD-O 3.44Å; R225-W241 PolarHBondContact NE-O 2.92Å; R225-T242 VanDerWaalsContact CZ-OG1 3.28Å; R225-T242 PolarHBondContact NE-OG1 2.73Å; R225-T242 PolarHBondContact NH2-OG1 3.16Å; R225-Y294 PolarHBondContact N-O 2.97Å; R225-Y294 WeakPolarHBondContact O-CA 3.47Å; R225-Y294 WeakPolarHBondContact O-CB 3.15Å; R225-Y294 PolarHBondContact O-N 3.36Å |
| 226 | Y | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 164.6 | 174.3 | 73 | -76 | 0 | 0 | 0 | 111.6 | S51 I53 L55 H130 W241 L293 | S51-Y226 WeakPolarHBondContact CB-OH 3.26Å; S51-Y226 WeakPolarHBondContact OG-CE2 3.15Å; S51-Y226 PolarHBondContact OG-OH 2.91Å; I53-Y226 HydrophobicContact CD1-CD1 4.01Å; I53-Y226 HydrophobicContact CD1-CD2 3.84Å; I53-Y226 HydrophobicContact CD1-CE1 4Å; I53-Y226 HydrophobicContact CD1-CE2 3.85Å; I53-Y226 HydrophobicContact CD1-CG 3.95Å; I53-Y226 HydrophobicContact CG1-CE1 4.03Å; I53-Y226 HydrophobicContact CG1-CE2 4.06Å; I53-Y226 HydrophobicContact CG2-CE2 4.34Å; L55-Y226 HydrophobicContact CD2-CD1 4.42Å; L55-Y226 HydrophobicContact CD2-CE1 4.22Å; H130-Y226 AromaticContact CE1-CE1 3.54Å; H130-Y226 AromaticContact CE1-CZ 3.68Å; H130-Y226 PolarHBondContact CE1-OH 3.39Å; H130-Y226 PolarHBondContact NE2-OH 2.04Å; Y226-W241 HydrophobicContact CD1-CB 3.6Å; Y226-W241 HydrophobicContact CD1-CG 4.39Å; Y226-W241 HydrophobicContact CE1-CB 3.27Å; Y226-W241 HydrophobicContact CE1-CD2 4.46Å; Y226-W241 AromaticContact CE1-CG 3.66Å; Y226-W241 HydrophobicContact CE1-CG 3.66Å; Y226-W241 HydrophobicContact CE2-CB 4.37Å; Y226-W241 AromaticContact CE2-CD1 3.88Å; Y226-W241 HydrophobicContact CE2-CG 4.26Å; Y226-W241 HydrophobicContact CG-CB 4.27Å; Y226-W241 AromaticContact CZ-CD1 3.55Å; Y226-W241 AromaticContact CZ-CG 3.55Å; Y226-W241 PolarHBondContact N-O 2.92Å; Y226-W241 PolarHBondContact O-N 2.88Å; Y226-L293 HydrophobicContact CD1-CD1 4.24Å; Y226-L293 HydrophobicContact CG-CD1 4.5Å |
| 227 | L | 98.6 | Very high | 98.2 | Very high | 114 Ų | 114 | 30.1 Ų | 30.1 | 60% | 0.597 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.1 | 169.4 | -67.1 | 176.1 | 0 | 0 | 0 | 109 | L240 R291 | L227-L240 HydrophobicContact CD2-CD1 3.95Å; L227-R291 WeakPolarHBondContact O-CD 2.93Å; L227-R291 PolarHBondContact O-NH1 2.73Å |
| 228 | G | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | -152 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y49 E237 N238 V239 | Y49-G228 CarbonylContact O-C 3.48Å; Y49-G228 VanDerWaalsContact O-C 3.24Å; Y49-G228 WeakPolarHBondContact O-CA 3.37Å; G228-E237 CarbonylContact O-C 3.58Å; G228-E237 WeakPolarHBondContact O-CA 3.4Å; G228-N238 PolarHBondContact O-N 3.09Å; G228-V239 PolarHBondContact N-O 2.96Å; G228-V239 PolarHBondContact O-N 2.87Å |
| 229 | S | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -124.1 | 170.7 | -172.4 | 75.9 | 0 | 0 | 0 | 0 | 113.2 | Y49 Q50 S51 C235 T236 V239 W241 | Y49-S229 PolarHBondContact O-N 3.31Å; Q50-S229 WeakPolarHBondContact CA-OG 3.41Å; Q50-S229 VanDerWaalsContact OE1-CB 3.26Å; Q50-S229 PolarHBondContact OE1-OG 3.11Å; S51-S229 WeakPolarHBondContact CB-O 3.25Å; S51-S229 PolarHBondContact N-OG 3.12Å; S51-S229 PolarHBondContact OG-N 3.09Å; S51-S229 PolarHBondContact OG-O 2.83Å; S229-C235 WeakPolarHBondContact CB-O 3.22Å; S229-T236 CarbonylContact C-O 3.41Å; S229-T236 WeakPolarHBondContact CA-O 3.41Å; S229-T236 WeakPolarHBondContact CB-O 3.39Å; S229-V239 VanDerWaalsContact C-CG2 3.41Å; S229-W241 PolarHBondContact O-NE1 2.98Å | ||
| 230 | L | 98.2 | Very high | 98.2 | Very high | 32 Ų | 32 | 26.2 Ų | 26.2 | 17% | 0.168 | 14% | 0.138 | C | C | . | . | trans | -59.9 | 147 | 154.1 | -67 | 174.8 | 0 | 0 | 0 | 109.6 | L164 T236 V239 | L164-L230 HydrophobicContact CD1-CD1 4.44Å; L164-L230 HydrophobicContact CD1-CD2 3.86Å; L164-L230 HydrophobicContact CD1-CG 4.27Å; L230-T236 PolarHBondContact N-O 3.19Å; L230-V239 HydrophobicContact CD2-CG2 4.1Å; L230-V239 HydrophobicContact CG-CG2 4.19Å | ||
| 231 | T | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -95.1 | 0.6 | -180 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | W37 E129 W241 R277 | W37-T231 VanDerWaalsContact CZ3-O 3.32Å; W37-T231 WeakPolarHBondContact CZ3-O 3.28Å; E129-T231 WeakPolarHBondContact OE2-CB 3.22Å; E129-T231 VanDerWaalsContact OE2-CG2 3.26Å; E129-T231 WeakPolarHBondContact OE2-CG2 3.4Å; E129-T231 PolarHBondContact OE2-OG1 3.39Å; T231-W241 HydrophobicContact CG2-CH2 4.21Å; T231-W241 HydrophobicContact CG2-CZ2 3.83Å; T231-R277 WeakPolarHBondContact O-CD 3.33Å |
| 232 | T | 97.4 | Very high | 98.3 | Very high | 33 Ų | 33 | 23.7 Ų | 23.7 | 20% | 0.202 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -123.4 | 156.3 | 171.8 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | W25 Y27 C235 | W25-T232 HydrophobicContact CH2-CG2 3.6Å; W25-T232 HydrophobicContact CZ2-CG2 4.2Å; W25-T232 HydrophobicContact CZ3-CG2 4.1Å; Y27-T232 VanDerWaalsContact OH-CG2 3.24Å; Y27-T232 WeakPolarHBondContact OH-CG2 3.42Å; T232-C235 WeakPolarHBondContact O-CA 3.35Å; T232-C235 PolarHBondContact O-N 3.42Å |
| 233 | P | 97.3 | Very high | 98.3 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 10% | 0.104 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 135.7 | 174.4 | -30.7 | 39.3 | 0 | 0 | 0 | 112.5 | W25 W37 Y41 | W25-P233 HydrophobicContact CB-CG 3.88Å; W25-P233 HydrophobicContact CD2-CG 4Å; W25-P233 HydrophobicContact CG-CB 4.21Å; W25-P233 HydrophobicContact CG-CG 3.71Å; W37-P233 HydrophobicContact CB-CG 4.47Å; W37-P233 HydrophobicContact CD2-CG 3.62Å; W37-P233 HydrophobicContact CE3-CG 3.96Å; W37-P233 HydrophobicContact CG-CG 3.87Å; W37-P233 HydrophobicContact CZ2-CG 4.47Å; Y41-P233 HydrophobicContact CD1-CB 3.8Å; Y41-P233 HydrophobicContact CD2-CB 3.65Å; Y41-P233 HydrophobicContact CD2-CG 3.79Å; Y41-P233 HydrophobicContact CE1-CB 3.69Å; Y41-P233 HydrophobicContact CE2-CB 3.52Å; Y41-P233 HydrophobicContact CE2-CG 3.59Å; Y41-P233 HydrophobicContact CG-CB 3.76Å; Y41-P233 HydrophobicContact CG-CG 4.37Å |
| 234 | P | 96.7 | Very high | 98.3 | Very high | 53 Ų | 53 | 18.8 Ų | 18.8 | 34% | 0.344 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91.9 | 21.8 | 14.2 | 37.4 | -37.2 | 0 | 0 | 0 | 115.1 | C45 T236 | C45-P234 VanDerWaalsContact SG-C 3.58Å; P234-T236 VanDerWaalsContact C-N 3.33Å; P234-T236 PolarHBondContact O-N 2.87Å |
| 235 | C | 97.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | 54.6 | 40.2 | 176.9 | -44.8 | 0 | 0 | 0 | 0 | 114.6 | M44 C45 Q50 S229 T232 E237 | M44-C235 VanDerWaalsContact CB-O 3.3Å; M44-C235 WeakPolarHBondContact CB-O 3.36Å; C45-C235 VanDerWaalsContact CA-SG 3.52Å; C45-C235 HydrophobicContact CB-CB 3.84Å; C45-C235 WeakPolarHBondContact CB-SG 3.41Å; C45-C235 WeakPolarHBondContact SG-CB 3.47Å; C45-C235 CovalentContact SG-SG 2.04Å; C45-C235 PolarHBondContact SG-SG 3.23Å; Q50-C235 PolarHBondContact OE1-O 3.31Å; S229-C235 WeakPolarHBondContact CB-O 3.22Å; T232-C235 WeakPolarHBondContact O-CA 3.35Å; T232-C235 PolarHBondContact O-N 3.42Å; C235-E237 PolarHBondContact O-N 3.2Å | ||
| 236 | T | 97.5 | Very high | 98.3 | Very high | 13 Ų | 13 | 20.3 Ų | 20.3 | 8% | 0.08 | 11% | 0.112 | C | C | . | . | trans | -58.5 | 121.6 | -174.3 | -46.5 | 0 | 0 | 0 | 0 | 112.1 | M44 S229 L230 P234 N238 | M44-T236 VanDerWaalsContact SD-CA 3.57Å; M44-T236 HydrophobicContact SD-CG2 3.68Å; S229-T236 CarbonylContact C-O 3.41Å; S229-T236 WeakPolarHBondContact CA-O 3.41Å; S229-T236 WeakPolarHBondContact CB-O 3.39Å; L230-T236 PolarHBondContact N-O 3.19Å; P234-T236 VanDerWaalsContact C-N 3.33Å; P234-T236 PolarHBondContact O-N 2.87Å; T236-N238 HydrophobicContact CG2-CB 4.08Å; T236-N238 VanDerWaalsContact CG2-CG 3.42Å; T236-N238 WeakPolarHBondContact CG2-OD1 3.42Å; T236-N238 PolarHBondContact O-N 3.22Å; T236-N238 PolarHBondContact O-OD1 3.29Å | ||
| 237 | E | 97.9 | Very high | 98.3 | Very high | 47 Ų | 47 | 22.1 Ų | 22.1 | 22% | 0.22 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -79.8 | 62.6 | 178.3 | -55.8 | 176.6 | 142.2 | 0 | 0 | 112 | M44 G47 Y48 Y49 G228 C235 | M44-E237 HydrophobicContact CE-CB 3.51Å; M44-E237 HydrophobicContact CE-CG 3.83Å; M44-E237 VanDerWaalsContact CE-N 3.28Å; G47-E237 VanDerWaalsContact C-OE1 3.27Å; G47-E237 VanDerWaalsContact CA-OE1 3.23Å; G47-E237 WeakPolarHBondContact CA-OE1 3.37Å; Y48-E237 PolarHBondContact N-OE1 2.95Å; Y49-E237 WeakPolarHBondContact CA-OE1 3.44Å; Y49-E237 PolarHBondContact N-OE1 3.24Å; G228-E237 CarbonylContact O-C 3.58Å; G228-E237 WeakPolarHBondContact O-CA 3.4Å; C235-E237 PolarHBondContact O-N 3.2Å |
| 238 | N | 97.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 16.7 Ų | 16.7 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | trans | -136.3 | 24.3 | -179.1 | 69.4 | -18.7 | 0 | 0 | 0 | 113.3 | A157 I158 R160 L164 G228 T236 | A157-N238 PolarHBondContact O-ND2 2.96Å; I158-N238 PolarHBondContact O-ND2 2.96Å; R160-N238 VanDerWaalsContact O-CB 3.26Å; R160-N238 WeakPolarHBondContact O-CB 3.42Å; R160-N238 PolarHBondContact O-ND2 2.9Å; L164-N238 PolarHBondContact N-O 2.84Å; L164-N238 VanDerWaalsContact N-O 3.13Å; G228-N238 PolarHBondContact O-N 3.09Å; T236-N238 HydrophobicContact CG2-CB 4.08Å; T236-N238 VanDerWaalsContact CG2-CG 3.42Å; T236-N238 WeakPolarHBondContact CG2-OD1 3.42Å; T236-N238 PolarHBondContact O-N 3.22Å; T236-N238 PolarHBondContact O-OD1 3.29Å | ||
| 239 | V | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.7 | -172.8 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | L164 V166 G228 S229 L230 W241 | L164-V239 HydrophobicContact CB-CG2 4.09Å; L164-V239 HydrophobicContact CD1-CG2 4.26Å; V166-V239 HydrophobicContact CB-CG1 3.82Å; V166-V239 HydrophobicContact CG2-CG1 3.5Å; G228-V239 PolarHBondContact N-O 2.96Å; G228-V239 PolarHBondContact O-N 2.87Å; S229-V239 VanDerWaalsContact C-CG2 3.41Å; L230-V239 HydrophobicContact CD2-CG2 4.1Å; L230-V239 HydrophobicContact CG-CG2 4.19Å; V239-W241 HydrophobicContact CG1-CD2 4.08Å; V239-W241 HydrophobicContact CG1-CG 3.98Å; V239-W241 HydrophobicContact CG1-CZ2 4.33Å; V239-W241 PolarHBondContact O-N 2.55Å |
| 240 | L | 98.7 | Very high | 98.3 | Very high | 38 Ų | 38 | 19.5 Ų | 19.5 | 20% | 0.199 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 100.9 | 163 | -176.9 | 67.7 | 0 | 0 | 0 | 109.4 | F103 L164 A165 V166 L227 | F103-L240 HydrophobicContact CE2-CD2 4.42Å; L164-L240 PolarHBondContact O-N 3.13Å; A165-L240 VanDerWaalsContact CA-O 3.31Å; A165-L240 WeakPolarHBondContact CA-O 3.16Å; A165-L240 HydrophobicContact CB-CB 3.97Å; A165-L240 HydrophobicContact CB-CD2 4.46Å; V166-L240 PolarHBondContact N-O 3.3Å; L227-L240 HydrophobicContact CD2-CD1 3.95Å |
| 241 | W | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 1% | 0.011 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 133.9 | -179.6 | -82.7 | 98.2 | 0 | 0 | 0 | 111.9 | S51 H130 H142 V166 R225 Y226 S229 T231 V239 V243 | S51-W241 PolarHBondContact OG-NE1 2.74Å; H130-W241 AromaticContact CE1-CE3 3.79Å; H130-W241 AromaticContact NE2-CD2 3.95Å; H130-W241 AromaticContact NE2-CE3 3.76Å; H130-W241 AromaticContact NE2-CZ3 3.79Å; H142-W241 AromaticContact CD2-CH2 3.87Å; H142-W241 AromaticContact CD2-CZ3 3.73Å; H142-W241 AromaticContact CE1-CH2 3.55Å; H142-W241 AromaticContact ND1-CH2 3.88Å; H142-W241 AromaticContact NE2-CH2 3.53Å; H142-W241 AromaticContact NE2-CZ3 3.56Å; V166-W241 HydrophobicContact CB-CD2 4.27Å; V166-W241 HydrophobicContact CB-CE3 3.98Å; V166-W241 HydrophobicContact CB-CH2 4.01Å; V166-W241 HydrophobicContact CB-CZ2 4.26Å; V166-W241 HydrophobicContact CB-CZ3 3.87Å; V166-W241 HydrophobicContact CG1-CE3 3.97Å; V166-W241 HydrophobicContact CG1-CH2 3.52Å; V166-W241 HydrophobicContact CG1-CZ2 4.23Å; V166-W241 HydrophobicContact CG1-CZ3 3.38Å; R225-W241 WeakPolarHBondContact CA-O 3.27Å; R225-W241 WeakPolarHBondContact CD-O 3.44Å; R225-W241 PolarHBondContact NE-O 2.92Å; Y226-W241 HydrophobicContact CD1-CB 3.6Å; Y226-W241 HydrophobicContact CD1-CG 4.39Å; Y226-W241 HydrophobicContact CE1-CB 3.27Å; Y226-W241 HydrophobicContact CE1-CD2 4.46Å; Y226-W241 AromaticContact CE1-CG 3.66Å; Y226-W241 HydrophobicContact CE1-CG 3.66Å; Y226-W241 HydrophobicContact CE2-CB 4.37Å; Y226-W241 AromaticContact CE2-CD1 3.88Å; Y226-W241 HydrophobicContact CE2-CG 4.26Å; Y226-W241 HydrophobicContact CG-CB 4.27Å; Y226-W241 AromaticContact CZ-CD1 3.55Å; Y226-W241 AromaticContact CZ-CG 3.55Å; Y226-W241 PolarHBondContact N-O 2.92Å; Y226-W241 PolarHBondContact O-N 2.88Å; S229-W241 PolarHBondContact O-NE1 2.98Å; T231-W241 HydrophobicContact CG2-CH2 4.21Å; T231-W241 HydrophobicContact CG2-CZ2 3.83Å; V239-W241 HydrophobicContact CG1-CD2 4.08Å; V239-W241 HydrophobicContact CG1-CG 3.98Å; V239-W241 HydrophobicContact CG1-CZ2 4.33Å; V239-W241 PolarHBondContact O-N 2.55Å; W241-V243 HydrophobicContact CE3-CG2 4.05Å |
| 242 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 113.4 | 166.9 | -56.7 | 0 | 0 | 0 | 0 | 108.5 | V69 V166 L167 G168 Y223 F224 R225 F244 | V69-T242 HydrophobicContact CG2-CG2 4.05Å; V166-T242 PolarHBondContact O-N 3.46Å; L167-T242 CarbonylContact C-O 3.53Å; L167-T242 VanDerWaalsContact CA-O 3.26Å; L167-T242 WeakPolarHBondContact CA-O 3.17Å; L167-T242 HydrophobicContact CD2-CG2 4.09Å; G168-T242 PolarHBondContact N-O 3.02Å; Y223-T242 HydrophobicContact CD1-CG2 4.27Å; Y223-T242 HydrophobicContact CD2-CG2 3.61Å; Y223-T242 HydrophobicContact CE2-CG2 4.12Å; Y223-T242 HydrophobicContact CG-CG2 3.67Å; F224-T242 WeakPolarHBondContact O-CA 3.16Å; R225-T242 VanDerWaalsContact CZ-OG1 3.28Å; R225-T242 PolarHBondContact NE-OG1 2.73Å; R225-T242 PolarHBondContact NH2-OG1 3.16Å; T242-F244 HydrophobicContact CG2-CE1 4.46Å; T242-F244 HydrophobicContact CG2-CZ 4.34Å |
| 243 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.8 | -179.4 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | L55 H130 G168 M170 Y223 F224 W241 | L55-V243 HydrophobicContact CD1-CB 3.67Å; L55-V243 HydrophobicContact CD1-CG1 3.56Å; L55-V243 HydrophobicContact CD1-CG2 4.22Å; H130-V243 WeakPolarHBondContact CE1-CG2 3.36Å; H130-V243 WeakPolarHBondContact ND1-CG2 3.26Å; G168-V243 WeakPolarHBondContact O-CA 3.45Å; M170-V243 HydrophobicContact CE-CG1 3.84Å; Y223-V243 CarbonylContact C-O 3.59Å; Y223-V243 WeakPolarHBondContact CA-O 3.48Å; Y223-V243 VanDerWaalsContact CB-O 3.32Å; Y223-V243 WeakPolarHBondContact CB-O 3.23Å; F224-V243 PolarHBondContact N-O 2.76Å; F224-V243 PolarHBondContact O-N 3.08Å; W241-V243 HydrophobicContact CE3-CG2 4.05Å |
| 244 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 136.8 | -179.8 | -60.2 | -77 | 0 | 0 | 0 | 110.2 | V69 L167 G168 I169 L215 L218 Y223 T242 | V69-F244 HydrophobicContact CB-CE1 4.04Å; V69-F244 HydrophobicContact CB-CZ 3.91Å; V69-F244 HydrophobicContact CG1-CZ 4.09Å; V69-F244 HydrophobicContact CG2-CE1 3.81Å; V69-F244 HydrophobicContact CG2-CZ 3.86Å; L167-F244 HydrophobicContact CB-CE2 4.07Å; L167-F244 HydrophobicContact CD1-CE2 4.29Å; L167-F244 HydrophobicContact CD1-CZ 4.44Å; G168-F244 WeakPolarHBondContact O-CD2 3.46Å; G168-F244 PolarHBondContact O-N 2.61Å; G168-F244 VanDerWaalsContact O-N 3.07Å; I169-F244 HydrophobicContact CG1-CD2 3.89Å; I169-F244 HydrophobicContact CG1-CE2 4.22Å; L215-F244 HydrophobicContact CD1-CD2 4.35Å; L215-F244 HydrophobicContact CD1-CE1 3.85Å; L215-F244 HydrophobicContact CD1-CE2 3.6Å; L215-F244 HydrophobicContact CD1-CZ 3.32Å; L218-F244 HydrophobicContact CD1-CB 4.02Å; L218-F244 HydrophobicContact CD1-CD1 3.64Å; L218-F244 HydrophobicContact CD1-CD2 4.3Å; L218-F244 HydrophobicContact CD1-CE1 4.2Å; L218-F244 HydrophobicContact CD1-CG 3.71Å; L218-F244 HydrophobicContact CD2-CB 3.72Å; L218-F244 HydrophobicContact CD2-CD2 3.98Å; L218-F244 HydrophobicContact CD2-CG 3.86Å; L218-F244 HydrophobicContact CG-CB 4.5Å; L218-F244 HydrophobicContact CG-CG 4.49Å; Y223-F244 HydrophobicContact CD1-CD1 4.4Å; Y223-F244 HydrophobicContact CD1-CE1 4.19Å; T242-F244 HydrophobicContact CG2-CE1 4.46Å; T242-F244 HydrophobicContact CG2-CZ 4.34Å |
| 245 | I | 98.7 | Very high | 98.5 | Very high | 17 Ų | 17 | 28 Ų | 28 | 9% | 0.087 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -77.3 | -37.2 | -177.5 | -64.8 | 171.5 | 0 | 0 | 0 | 110.5 | R222 F224 R295 | R222-I245 HydrophobicContact CG-CB 4.08Å; R222-I245 HydrophobicContact CG-CD1 3.96Å; R222-I245 HydrophobicContact CG-CG1 4.42Å; R222-I245 PolarHBondContact O-N 3.15Å; F224-I245 HydrophobicContact CD2-CD1 3.9Å; F224-I245 HydrophobicContact CD2-CG1 3.59Å; F224-I245 HydrophobicContact CE2-CD1 3.69Å; F224-I245 HydrophobicContact CE2-CG1 3.58Å; F224-I245 HydrophobicContact CZ-CD1 4.26Å; I245-R295 HydrophobicContact CD1-CG 4.05Å |
| 246 | D | 98.6 | Very high | 98.6 | Very high | 39 Ų | 39 | 31.1 Ų | 31.1 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -83.1 | 122.5 | -178.9 | -59.1 | -33.6 | 0 | 0 | 0 | 109.5 | L218 N219 R222 | L218-D246 HydrophobicContact CB-CB 4.22Å; L218-D246 WeakPolarHBondContact CB-O 3.38Å; N219-D246 WeakPolarHBondContact CB-OD2 3.3Å; R222-D246 WeakPolarHBondContact CD-OD2 3.45Å; R222-D246 IonicContact CZ-OD1 2.59Å; R222-D246 IonicContact NH1-OD1 3.42Å; R222-D246 PolarHBondContact NH1-OD1 3.19Å |
| 247 | P | 98.8 | Very high | 98.6 | Very high | 41 Ų | 41 | 33.1 Ų | 33.1 | 27% | 0.266 | 16% | 0.163 | S | C | . | . | P | Polyproline II helix | trans | -76 | 152.2 | 178.2 | 33.2 | -36.8 | 0 | 0 | 0 | 111.2 | F137 M170 Q172 | F137-P247 HydrophobicContact CD1-CB 4.13Å; F137-P247 HydrophobicContact CE1-CB 3.78Å; F137-P247 HydrophobicContact CE1-CG 3.91Å; M170-P247 HydrophobicContact CB-CB 3.96Å; M170-P247 CarbonylContact O-C 3.42Å; M170-P247 WeakPolarHBondContact O-CA 3.5Å; M170-P247 WeakPolarHBondContact O-CB 3.26Å; Q172-P247 HydrophobicContact CB-CB 4.03Å; Q172-P247 HydrophobicContact CB-CG 4.05Å |
| 248 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 161.8 | 161.4 | -57.9 | 0 | 0 | 0 | 0 | 110 | I169 M170 H171 Q172 A183 L214 L217 L218 | I169-V248 HydrophobicContact CG2-CG1 4.03Å; I169-V248 HydrophobicContact CG2-CG2 3.87Å; M170-V248 PolarHBondContact O-N 2.95Å; H171-V248 CarbonylContact C-O 3.24Å; H171-V248 VanDerWaalsContact CA-O 3.27Å; H171-V248 WeakPolarHBondContact CA-O 3.13Å; H171-V248 HydrophobicContact CB-CG2 4.28Å; H171-V248 WeakPolarHBondContact CD2-CG2 3.37Å; H171-V248 WeakPolarHBondContact NE2-CG2 3.21Å; Q172-V248 PolarHBondContact N-O 3.01Å; A183-V248 HydrophobicContact CB-CB 4.17Å; A183-V248 HydrophobicContact CB-CG2 3.63Å; L214-V248 HydrophobicContact CD1-CG1 4.31Å; L214-V248 HydrophobicContact CD1-CG2 4.38Å; L217-V248 HydrophobicContact CB-CB 4.3Å; L217-V248 HydrophobicContact CB-CG1 3.74Å; L218-V248 HydrophobicContact CB-CG1 4.17Å; L218-V248 HydrophobicContact CD2-CG1 3.91Å; L218-V248 HydrophobicContact CG-CG1 4.25Å |
| 249 | L | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 32 Ų | 32 | 33% | 0.33 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 141.7 | -173.6 | -54.3 | -177.7 | 0 | 0 | 0 | 111.9 | Q172 V174 I177 T182 A183 | Q172-L249 HydrophobicContact CB-CD2 4.44Å; Q172-L249 WeakPolarHBondContact O-CA 3.46Å; V174-L249 HydrophobicContact CG1-CD1 4.27Å; V174-L249 HydrophobicContact CG1-CD2 3.91Å; V174-L249 HydrophobicContact CG1-CG 4.48Å; V174-L249 HydrophobicContact CG2-CB 4.1Å; V174-L249 HydrophobicContact CG2-CD1 4.45Å; I177-L249 HydrophobicContact CD1-CB 3.58Å; I177-L249 HydrophobicContact CD1-CD1 3.62Å; I177-L249 HydrophobicContact CD1-CG 4.24Å; T182-L249 CarbonylContact C-O 3.53Å; T182-L249 VanDerWaalsContact CA-O 3.26Å; T182-L249 WeakPolarHBondContact CA-O 3.4Å; A183-L249 PolarHBondContact N-O 2.86Å |
| 250 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 169.7 | 171.9 | 59.1 | 173.2 | 0 | 0 | 0 | 110 | L139 H171 Q172 I173 V174 A183 F184 Q254 I255 | L139-I250 HydrophobicContact CB-CD1 4.41Å; L139-I250 HydrophobicContact CD2-CD1 4.07Å; H171-I250 HydrophobicContact CB-CD1 3.93Å; H171-I250 HydrophobicContact CB-CG1 4.18Å; H171-I250 HydrophobicContact CB-CG2 4.35Å; Q172-I250 PolarHBondContact O-N 3.36Å; I173-I250 CarbonylContact C-O 3.57Å; I173-I250 WeakPolarHBondContact CA-O 3.27Å; I173-I250 HydrophobicContact CG1-CD1 4.4Å; I173-I250 HydrophobicContact CG1-CG1 4.19Å; V174-I250 PolarHBondContact N-O 2.86Å; A183-I250 HydrophobicContact CB-CG2 3.97Å; F184-I250 HydrophobicContact CD2-CG2 4.01Å; F184-I250 HydrophobicContact CE2-CG2 4.25Å; I250-Q254 VanDerWaalsContact CA-OE1 3.27Å; I250-Q254 HydrophobicContact CB-CB 4.38Å; I250-I255 HydrophobicContact CD1-CB 4.05Å; I250-I255 HydrophobicContact CD1-CD1 4.27Å |
| 251 | T | 98.7 | Very high | 98.7 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | trans | -100.6 | 165.1 | 173 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | I177 T182 E253 Q254 I255 | I177-T251 HydrophobicContact CG2-CG2 3.64Å; T182-T251 HydrophobicContact CG2-CG2 4.27Å; T251-E253 PolarHBondContact O-N 2.92Å; T251-E253 PolarHBondContact OG1-N 3.35Å; T251-Q254 PolarHBondContact O-N 2.57Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.31Å; T251-Q254 PolarHBondContact OG1-N 3.27Å; T251-I255 PolarHBondContact O-N 2.76Å | ||
| 252 | R | 98.5 | Very high | 98.7 | Very high | 123 Ų | 123 | 33.9 Ų | 33.9 | 46% | 0.464 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.2 | -33.5 | 171.9 | -174.8 | 173.1 | -72.4 | 130.3 | 2.4 | 112.4 | D124 I173 I255 N256 | D124-R252 IonicContact OD2-CZ 3.3Å; D124-R252 IonicContact OD2-NE 3.8Å; D124-R252 PolarHBondContact OD2-NE 2.87Å; D124-R252 IonicContact OD2-NH2 2.64Å; D124-R252 PolarHBondContact OD2-NH2 3Å; I173-R252 HydrophobicContact CG2-CB 4.18Å; R252-I255 WeakPolarHBondContact O-CG2 3.25Å; R252-N256 VanDerWaalsContact O-CG 3.31Å; R252-N256 PolarHBondContact O-N 3.43Å; R252-N256 PolarHBondContact O-ND2 2.68Å |
| 253 | E | 98.3 | Very high | 98.6 | Very high | 153 Ų | 153 | 34.5 Ų | 34.5 | 72% | 0.715 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -62.1 | -45.9 | 174.4 | -178.8 | -178.1 | -137.4 | 0 | 0 | 111 | T251 N256 L257 | T251-E253 PolarHBondContact O-N 2.92Å; T251-E253 PolarHBondContact OG1-N 3.35Å; E253-N256 PolarHBondContact O-N 2.82Å; E253-L257 PolarHBondContact O-N 3.3Å |
| 254 | Q | 98.7 | Very high | 98.6 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | -177.6 | -75.8 | 170.1 | -7.5 | 0 | 0 | 113.3 | T182 F184 I250 T251 N256 L257 | T182-Q254 PolarHBondContact OG1-NE2 3.2Å; T182-Q254 VanDerWaalsContact OG1-NE2 3.12Å; F184-Q254 HydrophobicContact CB-CG 4.33Å; F184-Q254 VanDerWaalsContact CB-NE2 3.33Å; F184-Q254 HydrophobicContact CD1-CB 4.31Å; F184-Q254 HydrophobicContact CD1-CG 3.81Å; F184-Q254 HydrophobicContact CD2-CB 3.83Å; F184-Q254 HydrophobicContact CD2-CG 3.84Å; F184-Q254 HydrophobicContact CE1-CB 4.1Å; F184-Q254 HydrophobicContact CE1-CG 4.04Å; F184-Q254 HydrophobicContact CE2-CB 3.58Å; F184-Q254 HydrophobicContact CE2-CG 4.07Å; F184-Q254 HydrophobicContact CG-CB 4.19Å; F184-Q254 HydrophobicContact CG-CG 3.71Å; F184-Q254 HydrophobicContact CZ-CB 3.72Å; F184-Q254 HydrophobicContact CZ-CG 4.15Å; F184-Q254 WeakPolarHBondContact CZ-O 3.21Å; I250-Q254 VanDerWaalsContact CA-OE1 3.27Å; I250-Q254 HydrophobicContact CB-CB 4.38Å; T251-Q254 PolarHBondContact O-N 2.57Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.31Å; T251-Q254 PolarHBondContact OG1-N 3.27Å; Q254-N256 VanDerWaalsContact C-N 3.28Å; Q254-N256 PolarHBondContact O-N 2.94Å; Q254-L257 VanDerWaalsContact O-CB 3.31Å; Q254-L257 WeakPolarHBondContact O-CB 3.32Å; Q254-L257 PolarHBondContact O-N 2.85Å |
| 255 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.2 | -32.1 | 175.8 | -170.3 | 60.2 | 0 | 0 | 0 | 112 | W120 L139 I173 I250 T251 R252 L257 F258 R259 | W120-I255 HydrophobicContact CB-CD1 4Å; L139-I255 HydrophobicContact CB-CD1 3.79Å; L139-I255 HydrophobicContact CD2-CD1 4.35Å; I173-I255 HydrophobicContact CD1-CB 4.48Å; I173-I255 HydrophobicContact CD1-CG2 3.81Å; I173-I255 HydrophobicContact CG1-CG2 4.33Å; I250-I255 HydrophobicContact CD1-CB 4.05Å; I250-I255 HydrophobicContact CD1-CD1 4.27Å; T251-I255 PolarHBondContact O-N 2.76Å; R252-I255 WeakPolarHBondContact O-CG2 3.25Å; I255-L257 PolarHBondContact O-N 3.49Å; I255-F258 HydrophobicContact CD1-CD2 4.4Å; I255-F258 WeakPolarHBondContact O-CB 3.46Å; I255-F258 PolarHBondContact O-N 3Å; I255-F258 VanDerWaalsContact O-N 3.15Å; I255-R259 PolarHBondContact O-N 2.98Å |
| 256 | N | 98.6 | Very high | 98.4 | Very high | 65 Ų | 65 | 41.5 Ų | 41.5 | 35% | 0.348 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.7 | -21.1 | 176.8 | -74.1 | -21.8 | 0 | 0 | 0 | 112.7 | R252 E253 Q254 F258 R259 N260 | R252-N256 VanDerWaalsContact O-CG 3.31Å; R252-N256 PolarHBondContact O-N 3.43Å; R252-N256 PolarHBondContact O-ND2 2.68Å; E253-N256 PolarHBondContact O-N 2.82Å; Q254-N256 VanDerWaalsContact C-N 3.28Å; Q254-N256 PolarHBondContact O-N 2.94Å; N256-F258 VanDerWaalsContact C-N 3.31Å; N256-F258 PolarHBondContact O-N 2.73Å; N256-R259 PolarHBondContact O-N 2.72Å; N256-R259 WeakPolarHBondContact OD1-CD 3.36Å; N256-R259 PolarHBondContact OD1-NH1 2.87Å; N256-N260 VanDerWaalsContact O-CG 3.31Å; N256-N260 PolarHBondContact O-N 2.62Å; N256-N260 VanDerWaalsContact O-N 3.09Å; N256-N260 PolarHBondContact O-ND2 3.12Å |
| 257 | L | 98.7 | Very high | 98.4 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 29% | 0.288 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 171 | -59 | 175.4 | 0 | 0 | 0 | 111.4 | F184 L194 E253 Q254 I255 N260 L261 | F184-L257 HydrophobicContact CD1-CD1 4.44Å; F184-L257 HydrophobicContact CE1-CD1 3.64Å; F184-L257 HydrophobicContact CZ-CD1 4.31Å; L194-L257 HydrophobicContact CB-CB 3.88Å; L194-L257 HydrophobicContact CD1-CB 4.34Å; E253-L257 PolarHBondContact O-N 3.3Å; Q254-L257 VanDerWaalsContact O-CB 3.31Å; Q254-L257 WeakPolarHBondContact O-CB 3.32Å; Q254-L257 PolarHBondContact O-N 2.85Å; I255-L257 PolarHBondContact O-N 3.49Å; L257-N260 PolarHBondContact O-N 2.77Å; L257-L261 VanDerWaalsContact O-CD1 3.25Å; L257-L261 WeakPolarHBondContact O-CD1 3.4Å |
| 258 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.1 | -45.5 | 173.2 | -74.9 | -85.5 | 0 | 0 | 0 | 111.9 | A90 F118 W120 L139 F184 F190 L194 I255 N256 N260 L261 | A90-F258 HydrophobicContact CB-CE1 4.38Å; F118-F258 HydrophobicContact CB-CD1 4.35Å; F118-F258 HydrophobicContact CB-CE1 3.73Å; F118-F258 HydrophobicContact CB-CZ 4.34Å; F118-F258 HydrophobicContact CD1-CE1 4.15Å; F118-F258 AromaticContact CD1-CZ 3.91Å; F118-F258 HydrophobicContact CD1-CZ 3.91Å; F118-F258 AromaticContact CD2-CE1 3.68Å; F118-F258 HydrophobicContact CD2-CE1 3.68Å; F118-F258 AromaticContact CD2-CZ 3.99Å; F118-F258 HydrophobicContact CD2-CZ 3.99Å; F118-F258 HydrophobicContact CE1-CZ 4.16Å; F118-F258 HydrophobicContact CE2-CE1 4.33Å; F118-F258 HydrophobicContact CE2-CZ 4.26Å; F118-F258 AromaticContact CG-CE1 3.58Å; F118-F258 HydrophobicContact CG-CE1 3.58Å; F118-F258 AromaticContact CG-CZ 3.81Å; F118-F258 HydrophobicContact CG-CZ 3.81Å; F118-F258 HydrophobicContact CZ-CZ 4.34Å; W120-F258 HydrophobicContact CD2-CB 3.81Å; W120-F258 HydrophobicContact CD2-CD1 4.18Å; W120-F258 HydrophobicContact CD2-CG 4.31Å; W120-F258 HydrophobicContact CE3-CB 4.29Å; W120-F258 AromaticContact CE3-CD1 3.78Å; W120-F258 HydrophobicContact CE3-CD1 3.78Å; W120-F258 HydrophobicContact CE3-CG 4.32Å; W120-F258 HydrophobicContact CG-CB 4.08Å; W120-F258 HydrophobicContact CH2-CB 4.46Å; W120-F258 AromaticContact CH2-CD1 3.85Å; W120-F258 HydrophobicContact CH2-CD1 3.85Å; W120-F258 HydrophobicContact CZ2-CB 3.99Å; W120-F258 HydrophobicContact CZ2-CD1 4.24Å; W120-F258 WeakPolarHBondContact CZ2-O 3.37Å; W120-F258 AromaticContact CZ3-CD1 3.63Å; W120-F258 HydrophobicContact CZ3-CD1 3.63Å; W120-F258 HydrophobicContact CZ3-CE1 4.26Å; L139-F258 HydrophobicContact CD2-CD2 4.42Å; L139-F258 HydrophobicContact CD2-CE2 3.9Å; L139-F258 HydrophobicContact CD2-CZ 4.29Å; F184-F258 AromaticContact CE2-CE2 3.9Å; F184-F258 HydrophobicContact CE2-CE2 3.9Å; F184-F258 HydrophobicContact CZ-CD2 4.25Å; F184-F258 AromaticContact CZ-CE2 3.65Å; F184-F258 HydrophobicContact CZ-CE2 3.65Å; F190-F258 HydrophobicContact CE2-CE2 4.23Å; F190-F258 AromaticContact CE2-CZ 3.8Å; F190-F258 HydrophobicContact CE2-CZ 3.8Å; F190-F258 AromaticContact CZ-CZ 3.92Å; F190-F258 HydrophobicContact CZ-CZ 3.92Å; L194-F258 HydrophobicContact CD1-CD1 4.08Å; L194-F258 HydrophobicContact CD1-CD2 4.05Å; L194-F258 HydrophobicContact CD1-CE1 3.88Å; L194-F258 HydrophobicContact CD1-CE2 3.86Å; L194-F258 HydrophobicContact CD1-CG 4.17Å; L194-F258 HydrophobicContact CD1-CZ 3.77Å; I255-F258 HydrophobicContact CD1-CD2 4.4Å; I255-F258 WeakPolarHBondContact O-CB 3.46Å; I255-F258 PolarHBondContact O-N 3Å; I255-F258 VanDerWaalsContact O-N 3.15Å; N256-F258 VanDerWaalsContact C-N 3.31Å; N256-F258 PolarHBondContact O-N 2.73Å; F258-N260 PolarHBondContact O-N 3.31Å; F258-N260 VanDerWaalsContact O-N 3.12Å; F258-L261 WeakPolarHBondContact O-CB 3.06Å; F258-L261 PolarHBondContact O-N 3.44Å |
| 259 | R | 98.7 | Very high | 98.3 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 13% | 0.125 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -17.4 | 178.9 | -63.5 | 173.9 | -179.2 | 148.6 | -3.4 | 113.7 | G121 N122 T123 D124 I255 N256 R271 | G121-R259 PolarHBondContact O-NE 2.83Å; N122-R259 PolarHBondContact O-NE 3.19Å; T123-R259 PolarHBondContact O-NH2 3.29Å; D124-R259 IonicContact OD1-CZ 3.88Å; D124-R259 VanDerWaalsContact OD1-CZ 3.25Å; D124-R259 IonicContact OD1-NH1 3.82Å; D124-R259 PolarHBondContact OD1-NH1 3.34Å; D124-R259 IonicContact OD1-NH2 3.54Å; D124-R259 PolarHBondContact OD1-NH2 2.96Å; I255-R259 PolarHBondContact O-N 2.98Å; N256-R259 PolarHBondContact O-N 2.72Å; N256-R259 WeakPolarHBondContact OD1-CD 3.36Å; N256-R259 PolarHBondContact OD1-NH1 2.87Å; R259-R271 WeakPolarHBondContact O-CD 3.37Å |
| 260 | N | 97.8 | Very high | 98.3 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 35% | 0.353 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -21.5 | 174.2 | -78 | -25.6 | 0 | 0 | 0 | 113.4 | S196 N256 L257 F258 R271 | S196-N260 WeakPolarHBondContact CA-O 3.39Å; S196-N260 PolarHBondContact OG-O 3.15Å; N256-N260 VanDerWaalsContact O-CG 3.31Å; N256-N260 PolarHBondContact O-N 2.62Å; N256-N260 VanDerWaalsContact O-N 3.09Å; N256-N260 PolarHBondContact O-ND2 3.12Å; L257-N260 PolarHBondContact O-N 2.77Å; F258-N260 PolarHBondContact O-N 3.31Å; F258-N260 VanDerWaalsContact O-N 3.12Å; N260-R271 PolarHBondContact O-NH1 2.91Å |
| 261 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -63.4 | 141 | 179.9 | -85.7 | 63.7 | 0 | 0 | 0 | 110.1 | A90 W120 L194 F198 L257 F258 R271 M272 | A90-L261 HydrophobicContact CB-CD2 3.84Å; W120-L261 HydrophobicContact CH2-CD2 4.49Å; L194-L261 HydrophobicContact CB-CD1 4.03Å; L194-L261 HydrophobicContact CD2-CD1 3.92Å; L194-L261 HydrophobicContact CD2-CD2 4.17Å; F198-L261 HydrophobicContact CD1-CD2 4.22Å; F198-L261 HydrophobicContact CD1-CG 4.4Å; L257-L261 VanDerWaalsContact O-CD1 3.25Å; L257-L261 WeakPolarHBondContact O-CD1 3.4Å; F258-L261 WeakPolarHBondContact O-CB 3.06Å; F258-L261 PolarHBondContact O-N 3.44Å; L261-R271 CarbonylContact O-C 3.53Å; L261-M272 HydrophobicContact CB-CB 4.05Å; L261-M272 HydrophobicContact CD2-SD 4.49Å; L261-M272 WeakPolarHBondContact O-CB 3.34Å; L261-M272 PolarHBondContact O-N 2.72Å |
| 262 | P | 98.6 | Very high | 98.2 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 10% | 0.104 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -81.9 | 144.5 | 167.6 | 27.5 | -23.9 | 0 | 0 | 0 | 111 | N85 V199 T270 | N85-P262 PolarHBondContact ND2-O 3.07Å; V199-P262 HydrophobicContact CB-CG 4.29Å; V199-P262 HydrophobicContact CG1-CG 3.91Å; P262-T270 WeakPolarHBondContact CA-O 3.4Å |
| 263 | Y | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 166.6 | 170.1 | -99.2 | -52.2 | 0 | 0 | 0 | 111.9 | Y27 T28 G87 E267 Q269 T270 R271 M272 G273 N275 | Y27-Y263 HydrophobicContact CD2-CE1 4.16Å; T28-Y263 HydrophobicContact CG2-CE2 3.83Å; G87-Y263 WeakPolarHBondContact O-CD1 3.37Å; Y263-E267 HydrophobicContact CD1-CB 4.26Å; Y263-E267 HydrophobicContact CD1-CG 3.5Å; Y263-E267 HydrophobicContact CD2-CB 4.07Å; Y263-E267 HydrophobicContact CD2-CG 4.14Å; Y263-E267 HydrophobicContact CE1-CG 3.98Å; Y263-E267 HydrophobicContact CG-CB 3.81Å; Y263-E267 HydrophobicContact CG-CG 3.59Å; Y263-Q269 WeakPolarHBondContact CB-O 3.44Å; Y263-Q269 HydrophobicContact CD2-CB 4.05Å; Y263-Q269 HydrophobicContact CD2-CG 4.47Å; Y263-Q269 WeakPolarHBondContact CD2-O 3.2Å; Y263-Q269 HydrophobicContact CE2-CB 4.2Å; Y263-T270 PolarHBondContact N-O 3.11Å; Y263-R271 WeakPolarHBondContact CD2-O 3.46Å; Y263-R271 WeakPolarHBondContact CE2-O 3.33Å; Y263-M272 HydrophobicContact CD1-CB 4.07Å; Y263-M272 HydrophobicContact CD1-CE 3.92Å; Y263-M272 HydrophobicContact CD1-CG 3.68Å; Y263-M272 HydrophobicContact CD2-CB 4.33Å; Y263-M272 HydrophobicContact CE1-CB 4.39Å; Y263-M272 HydrophobicContact CE1-CG 3.65Å; Y263-M272 HydrophobicContact CG-CB 4.06Å; Y263-M272 HydrophobicContact CG-CG 4.18Å; Y263-G273 VanDerWaalsContact CE2-O 3.26Å; Y263-G273 WeakPolarHBondContact CE2-O 3.43Å; Y263-G273 PolarHBondContact OH-O 3.24Å; Y263-N275 HydrophobicContact CE1-CB 4.05Å; Y263-N275 WeakPolarHBondContact OH-CA 3.36Å; Y263-N275 WeakPolarHBondContact OH-CB 3.45Å; Y263-N275 PolarHBondContact OH-N 3.44Å |
| 264 | G | 97.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 43 Ų | 43 | 9% | 0.093 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 162.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113 | G87 N266 E267 | G87-G264 PolarHBondContact O-N 3.01Å; G264-N266 VanDerWaalsContact C-OD1 3.3Å; G264-N266 WeakPolarHBondContact CA-OD1 3.29Å; G264-N266 PolarHBondContact O-N 3.22Å; G264-N266 VanDerWaalsContact O-N 3.17Å; G264-E267 WeakPolarHBondContact O-CB 3.39Å; G264-E267 PolarHBondContact O-N 3.22Å |
| 265 | S | 97.2 | Very high | 98.3 | Very high | 132 Ų | 132 | 42.3 Ų | 42.3 | 92% | 0.923 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.3 | -178.1 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | E267 | S265-E267 VanDerWaalsContact C-N 3.28Š|
| 266 | N | 96.7 | Very high | 98.3 | Very high | 23 Ų | 23 | 44 Ų | 44 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -14.6 | 175.3 | 61.4 | -61.4 | 0 | 0 | 0 | 112.9 | E24 W25 H88 G264 | E24-N266 HydrophobicContact CG-CB 4.35Å; W25-N266 PolarHBondContact O-ND2 2.97Å; H88-N266 PolarHBondContact CE1-ND2 3.46Å; G264-N266 VanDerWaalsContact C-OD1 3.3Å; G264-N266 WeakPolarHBondContact CA-OD1 3.29Å; G264-N266 PolarHBondContact O-N 3.22Å; G264-N266 VanDerWaalsContact O-N 3.17Å |
| 267 | E | 98.3 | Very high | 98.3 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | trans | -91.7 | 151 | -176.4 | -64.6 | -75.8 | 172.8 | 0 | 0 | 112.1 | S26 Y27 T28 H88 Y263 G264 S265 | S26-E267 VanDerWaalsContact CA-OE1 3.26Å; S26-E267 WeakPolarHBondContact CA-OE1 3.26Å; Y27-E267 VanDerWaalsContact N-CD 3.35Å; Y27-E267 PolarHBondContact N-OE1 2.7Å; Y27-E267 PolarHBondContact N-OE2 3.41Å; Y27-E267 VanDerWaalsContact N-OE2 3.15Å; T28-E267 WeakPolarHBondContact CB-OE2 3.33Å; T28-E267 PolarHBondContact N-OE2 2.87Å; T28-E267 PolarHBondContact OG1-OE2 3.08Å; H88-E267 IonicContact ND1-OE1 3.25Å; Y263-E267 HydrophobicContact CD1-CB 4.26Å; Y263-E267 HydrophobicContact CD1-CG 3.5Å; Y263-E267 HydrophobicContact CD2-CB 4.07Å; Y263-E267 HydrophobicContact CD2-CG 4.14Å; Y263-E267 HydrophobicContact CE1-CG 3.98Å; Y263-E267 HydrophobicContact CG-CB 3.81Å; Y263-E267 HydrophobicContact CG-CG 3.59Å; G264-E267 WeakPolarHBondContact O-CB 3.39Å; G264-E267 PolarHBondContact O-N 3.22Å; S265-E267 VanDerWaalsContact C-N 3.28Å | ||
| 268 | K | 97.7 | Very high | 98.3 | Very high | 166 Ų | 166 | 40.4 Ų | 40.4 | 72% | 0.722 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -81.4 | -35.4 | 174.1 | -173.6 | 177.2 | -179.9 | 178.9 | 0 | 111.6 | T28 N29 | T28-K268 PolarHBondContact OG1-N 3.35Å; N29-K268 HydrophobicContact CB-CB 4.31Å |
| 269 | Q | 97.7 | Very high | 98.3 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -81.6 | 137.1 | 178.3 | -172.1 | 174.6 | -72.3 | 0 | 0 | 110.7 | T28 N122 Y263 R271 G273 | T28-Q269 HydrophobicContact CG2-CB 3.9Å; T28-Q269 PolarHBondContact OG1-N 3.21Å; T28-Q269 VanDerWaalsContact OG1-N 3.12Å; N122-Q269 PolarHBondContact ND2-NE2 2.8Å; N122-Q269 PolarHBondContact ND2-OE1 3.37Å; N122-Q269 PolarHBondContact OD1-NE2 3.37Å; Y263-Q269 WeakPolarHBondContact CB-O 3.44Å; Y263-Q269 HydrophobicContact CD2-CB 4.05Å; Y263-Q269 HydrophobicContact CD2-CG 4.47Å; Y263-Q269 WeakPolarHBondContact CD2-O 3.2Å; Y263-Q269 HydrophobicContact CE2-CB 4.2Å; Q269-R271 WeakPolarHBondContact CG-O 3.35Å; Q269-R271 PolarHBondContact NE2-O 2.94Å; Q269-G273 PolarHBondContact NE2-O 3.3Å |
| 270 | T | 98.1 | Very high | 98.2 | Very high | 108 Ų | 108 | 44 Ų | 44 | 66% | 0.663 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -75.2 | -44.7 | 179.9 | -49.9 | 0 | 0 | 0 | 0 | 113.2 | P262 Y263 | P262-T270 WeakPolarHBondContact CA-O 3.4Å; Y263-T270 PolarHBondContact N-O 3.11Å |
| 271 | R | 98.3 | Very high | 98.3 | Very high | 99 Ų | 99 | 46.5 Ų | 46.5 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -87 | 139.1 | 179.5 | -70.6 | -70 | 147.4 | -138.1 | -8.5 | 109.9 | R259 N260 L261 Y263 Q269 G273 | R259-R271 WeakPolarHBondContact O-CD 3.37Å; N260-R271 PolarHBondContact O-NH1 2.91Å; L261-R271 CarbonylContact O-C 3.53Å; Y263-R271 WeakPolarHBondContact CD2-O 3.46Å; Y263-R271 WeakPolarHBondContact CE2-O 3.33Å; Q269-R271 WeakPolarHBondContact CG-O 3.35Å; Q269-R271 PolarHBondContact NE2-O 2.94Å; R271-G273 PolarHBondContact O-N 3.21Å |
| 272 | M | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -73.1 | 124.9 | 176.9 | -168.2 | 177 | -70.9 | 0 | 0 | 109.6 | N85 G87 S89 W120 L261 Y263 | N85-M272 VanDerWaalsContact OD1-CE 3.27Å; N85-M272 WeakPolarHBondContact OD1-CE 3.25Å; G87-M272 VanDerWaalsContact C-CE 3.5Å; S89-M272 VanDerWaalsContact CA-SD 3.53Å; W120-M272 HydrophobicContact CH2-CG 3.78Å; W120-M272 HydrophobicContact CH2-SD 3.25Å; W120-M272 WeakPolarHBondContact CH2-SD 3.24Å; W120-M272 HydrophobicContact CZ2-CB 3.75Å; W120-M272 HydrophobicContact CZ2-CG 3.3Å; W120-M272 HydrophobicContact CZ2-SD 3.41Å; W120-M272 WeakPolarHBondContact CZ2-SD 3.36Å; W120-M272 HydrophobicContact CZ3-SD 4.35Å; W120-M272 PolarHBondContact NE1-O 3.08Å; L261-M272 HydrophobicContact CB-CB 4.05Å; L261-M272 HydrophobicContact CD2-SD 4.49Å; L261-M272 WeakPolarHBondContact O-CB 3.34Å; L261-M272 PolarHBondContact O-N 2.72Å; Y263-M272 HydrophobicContact CD1-CB 4.07Å; Y263-M272 HydrophobicContact CD1-CE 3.92Å; Y263-M272 HydrophobicContact CD1-CG 3.68Å; Y263-M272 HydrophobicContact CD2-CB 4.33Å; Y263-M272 HydrophobicContact CE1-CB 4.39Å; Y263-M272 HydrophobicContact CE1-CG 3.65Å; Y263-M272 HydrophobicContact CG-CB 4.06Å; Y263-M272 HydrophobicContact CG-CG 4.18Å | ||
| 273 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | 168.8 | 155.6 | -177 | 0 | 0 | 0 | 0 | 0 | 109.6 | N122 Y263 Q269 R271 N275 | N122-G273 WeakPolarHBondContact OD1-CA 3.2Å; Y263-G273 VanDerWaalsContact CE2-O 3.26Å; Y263-G273 WeakPolarHBondContact CE2-O 3.43Å; Y263-G273 PolarHBondContact OH-O 3.24Å; Q269-G273 PolarHBondContact NE2-O 3.3Å; R271-G273 PolarHBondContact O-N 3.21Å; G273-N275 PolarHBondContact O-N 3.28Å | ||
| 274 | D | 98.7 | Very high | 98.1 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | trans | 55.4 | 34.9 | -163.8 | -50.9 | -31.2 | 0 | 0 | 0 | 113 | W120 G121 N122 R126 F276 | W120-D274 WeakPolarHBondContact O-CA 3.34Å; W120-D274 PolarHBondContact O-N 2.73Å; G121-D274 WeakPolarHBondContact CA-OD1 3.33Å; N122-D274 VanDerWaalsContact CG-OD2 3.32Å; N122-D274 PolarHBondContact N-OD1 3.06Å; N122-D274 PolarHBondContact ND2-OD2 3.4Å; R126-D274 IonicContact CZ-OD1 2.76Å; R126-D274 IonicContact CZ-OD2 3.65Å; R126-D274 IonicContact NE-OD1 3.56Å; R126-D274 PolarHBondContact NE-OD1 3.46Å; R126-D274 IonicContact NE-OD2 3.21Å; R126-D274 VanDerWaalsContact NH2-CG 3.25Å; R126-D274 IonicContact NH2-OD1 2.91Å; R126-D274 PolarHBondContact NH2-OD1 2.82Å; R126-D274 IonicContact NH2-OD2 3.35Å; R126-D274 PolarHBondContact NH2-OD2 2.91Å; D274-F276 HydrophobicContact CB-CD1 4.5Å; D274-F276 HydrophobicContact CB-CE1 3.93Å; D274-F276 HydrophobicContact CB-CZ 4.34Å; D274-F276 PolarHBondContact O-N 3.49Å | ||
| 275 | N | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -83.4 | 45.5 | 177.3 | 63.2 | -30.3 | 0 | 0 | 0 | 111.4 | Y27 H88 F118 H119 W120 Y263 G273 | Y27-N275 HydrophobicContact CD2-CB 3.74Å; Y27-N275 WeakPolarHBondContact CE1-O 3.47Å; Y27-N275 HydrophobicContact CE2-CB 3.64Å; Y27-N275 HydrophobicContact CG-CB 4.31Å; Y27-N275 PolarHBondContact OH-O 3.25Å; H88-N275 WeakPolarHBondContact O-CB 3.46Å; H88-N275 PolarHBondContact O-ND2 3.46Å; F118-N275 PolarHBondContact O-ND2 3.02Å; F118-N275 VanDerWaalsContact O-ND2 3.12Å; H119-N275 PolarHBondContact ND1-O 2.76Å; W120-N275 VanDerWaalsContact CZ3-ND2 3.32Å; W120-N275 WeakPolarHBondContact CZ3-ND2 3.47Å; W120-N275 PolarHBondContact N-OD1 2.8Å; W120-N275 PolarHBondContact O-N 3.43Å; W120-N275 PolarHBondContact O-OD1 3.43Å; W120-N275 VanDerWaalsContact O-OD1 3.11Å; Y263-N275 HydrophobicContact CE1-CB 4.05Å; Y263-N275 WeakPolarHBondContact OH-CA 3.36Å; Y263-N275 WeakPolarHBondContact OH-CB 3.45Å; Y263-N275 PolarHBondContact OH-N 3.44Å; G273-N275 PolarHBondContact O-N 3.28Å | ||
| 276 | F | 98.7 | Very high | 98 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | trans | -126 | 141.8 | -178.9 | 55.7 | -98.7 | 0 | 0 | 0 | 111.4 | H119 R126 G127 E129 D274 | H119-F276 HydrophobicContact CB-CB 4.31Å; R126-F276 HydrophobicContact CB-CE1 4.47Å; R126-F276 HydrophobicContact CB-CZ 4.3Å; R126-F276 HydrophobicContact CG-CE1 4.2Å; R126-F276 HydrophobicContact CG-CZ 4.21Å; G127-F276 WeakPolarHBondContact O-CD1 3.23Å; E129-F276 HydrophobicContact CG-CB 3.8Å; D274-F276 HydrophobicContact CB-CD1 4.5Å; D274-F276 HydrophobicContact CB-CE1 3.93Å; D274-F276 HydrophobicContact CB-CZ 4.34Å; D274-F276 PolarHBondContact O-N 3.49Å | ||
| 277 | R | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.019 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 143.3 | 174.1 | -168.6 | -174.5 | -169.6 | -173.2 | 4.3 | 110.1 | P34 W37 C45 S51 P52 E129 T231 | P34-R277 HydrophobicContact CB-CG 4.41Å; W37-R277 HydrophobicContact CE3-CG 4.34Å; W37-R277 HydrophobicContact CH2-CG 4.48Å; W37-R277 HydrophobicContact CZ3-CB 4.12Å; W37-R277 HydrophobicContact CZ3-CG 3.71Å; C45-R277 PolarHBondContact O-NH2 2.71Å; S51-R277 WeakPolarHBondContact O-CD 3.41Å; S51-R277 PolarHBondContact O-NH1 3.43Å; P52-R277 HydrophobicContact CG-CB 4.46Å; P52-R277 WeakPolarHBondContact CG-O 3.13Å; E129-R277 VanDerWaalsContact OE1-CB 3.25Å; E129-R277 WeakPolarHBondContact OE1-CB 3.34Å; E129-R277 PolarHBondContact OE1-N 3.38Å; T231-R277 WeakPolarHBondContact O-CD 3.33Å |
| 278 | P | 98.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 63.4 Ų | 63.4 | 26% | 0.26 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 156.8 | 171.1 | -25.3 | 35.1 | 0 | 0 | 0 | 113.1 | P34 Q280 | P34-P278 VanDerWaalsContact CB-CD 3.41Å; P34-P278 HydrophobicContact CB-CG 4.08Å; P278-Q280 PolarHBondContact O-N 2.85Å; P278-Q280 PolarHBondContact O-NE2 3.47Å |
| 279 | I | 98.7 | Very high | 97.8 | Very high | 58 Ų | 58 | 58 Ų | 58 | 30% | 0.297 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 132.9 | 175.7 | -67.9 | -65.1 | 0 | 0 | 0 | 110.4 | P52 D54 E129 T131 | P52-I279 HydrophobicContact CB-CD1 4.4Å; P52-I279 HydrophobicContact CG-CD1 4.33Å; D54-I279 HydrophobicContact CB-CG2 4.23Å; E129-I279 WeakPolarHBondContact O-CD1 3.49Å; T131-I279 HydrophobicContact CG2-CD1 4.12Å; T131-I279 HydrophobicContact CG2-CG1 4.33Å |
| 280 | Q | 98.5 | Very high | 97.8 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 23% | 0.234 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -99.3 | 154.7 | 172.2 | -48.4 | -62.3 | -61.3 | 0 | 0 | 109.2 | Q50 P52 P278 | Q50-Q280 HydrophobicContact CB-CB 3.87Å; Q50-Q280 HydrophobicContact CB-CG 3.77Å; P52-Q280 WeakPolarHBondContact O-CA 3.4Å; P52-Q280 VanDerWaalsContact O-CB 3.25Å; P52-Q280 WeakPolarHBondContact O-CB 3.32Å; P52-Q280 WeakPolarHBondContact O-CG 3.21Å; P52-Q280 PolarHBondContact O-N 3.43Å; P278-Q280 PolarHBondContact O-N 2.85Å; P278-Q280 PolarHBondContact O-NE2 3.47Å |
| 281 | L | 98.2 | Very high | 97.8 | Very high | 119 Ų | 119 | 55.3 Ų | 55.3 | 62% | 0.623 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 143.7 | 176 | -65 | 175.3 | 0 | 0 | 0 | 110.4 | N283 P284 R291 | L281-N283 PolarHBondContact O-N 2.97Å; L281-P284 HydrophobicContact CB-CG 4.11Å; L281-R291 PolarHBondContact O-NH2 3.04Å |
| 282 | L | 98.2 | Very high | 97.8 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -57.3 | -44.4 | 171.7 | 177.6 | 65.2 | 0 | 0 | 0 | 110.4 | I53 I59 R291 L293 | I53-L282 HydrophobicContact CD1-CD1 3.71Å; I59-L282 HydrophobicContact CD1-CD2 4.34Å; L282-R291 HydrophobicContact CD1-CG 4.01Å; L282-R291 WeakPolarHBondContact O-CG 3.29Å; L282-R291 PolarHBondContact O-NE 2.93Å; L282-R291 PolarHBondContact O-NH2 3.27Å; L282-L293 HydrophobicContact CD1-CB 4.23Å; L282-L293 HydrophobicContact CD2-CB 4.13Å |
| 283 | N | 98 | Very high | 97.8 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -139.8 | 95 | 178.4 | -70.1 | -51 | 0 | 0 | 0 | 108.6 | L281 T287 S290 R291 | L281-N283 PolarHBondContact O-N 2.97Å; N283-T287 HydrophobicContact CB-CG2 4.05Å; N283-S290 VanDerWaalsContact OD1-CA 3.27Å; N283-S290 WeakPolarHBondContact OD1-CA 3.42Å; N283-R291 PolarHBondContact ND2-O 2.7Å; N283-R291 WeakPolarHBondContact OD1-CG 3.2Å; N283-R291 PolarHBondContact OD1-N 2.8Å |
| 284 | P | 97.1 | Very high | 97.8 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 16% | 0.156 | 31% | 0.314 | C | S | . | . | trans | -55.6 | 158.2 | 169.4 | -27.6 | 37.9 | 0 | 0 | 0 | 112.6 | Y48 L281 D286 T287 | Y48-P284 VanDerWaalsContact O-CD 3.3Å; Y48-P284 WeakPolarHBondContact O-CD 3.39Å; L281-P284 HydrophobicContact CB-CG 4.11Å; P284-D286 WeakPolarHBondContact CB-OD1 3.25Å; P284-D286 PolarHBondContact O-N 2.78Å; P284-D286 VanDerWaalsContact O-N 3.15Å; P284-T287 WeakPolarHBondContact O-CB 3.47Å; P284-T287 VanDerWaalsContact O-CG2 3.32Å; P284-T287 WeakPolarHBondContact O-CG2 3.21Å; P284-T287 PolarHBondContact O-N 2.81Å | ||
| 285 | I | 96.6 | Very high | 97.8 | Very high | 177 Ų | 177 | 59.2 Ų | 59.2 | 91% | 0.908 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -27.5 | -175 | -165 | 73.8 | 0 | 0 | 0 | 113.2 | ||
| 286 | D | 95.3 | Very high | 97.8 | Very high | 98 Ų | 98 | 59.2 Ų | 59.2 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 7.1 | -178.8 | 64 | -32.4 | 0 | 0 | 0 | 113.4 | P284 L288 | P284-D286 WeakPolarHBondContact CB-OD1 3.25Å; P284-D286 PolarHBondContact O-N 2.78Å; P284-D286 VanDerWaalsContact O-N 3.15Å; D286-L288 PolarHBondContact O-N 3.32Å |
| 287 | T | 95.4 | Very high | 97.6 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 17% | 0.166 | 33% | 0.327 | C | S | . | . | trans | -63.3 | 129 | 177 | -162 | 0 | 0 | 0 | 0 | 111.2 | Y48 N283 P284 A289 | Y48-T287 WeakPolarHBondContact CD2-OG1 3.48Å; N283-T287 HydrophobicContact CB-CG2 4.05Å; P284-T287 WeakPolarHBondContact O-CB 3.47Å; P284-T287 VanDerWaalsContact O-CG2 3.32Å; P284-T287 WeakPolarHBondContact O-CG2 3.21Å; P284-T287 PolarHBondContact O-N 2.81Å; T287-A289 PolarHBondContact OG1-O 3.1Å | ||
| 288 | L | 96.4 | Very high | 97.1 | Very high | 152 Ų | 152 | 61.9 Ų | 61.9 | 80% | 0.796 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -81.5 | -21.2 | 179.2 | -60.7 | -179 | 0 | 0 | 0 | 112.8 | D286 | D286-L288 PolarHBondContact O-N 3.32Š|
| 289 | A | 97.2 | Very high | 95.7 | Very high | 53 Ų | 53 | 62.1 Ų | 62.1 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -150 | 118 | 175 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y49 T287 R291 | Y49-A289 VanDerWaalsContact CE1-O 3.23Å; Y49-A289 WeakPolarHBondContact CE1-O 3.45Å; Y49-A289 VanDerWaalsContact CZ-O 3.29Å; Y49-A289 PolarHBondContact OH-O 2.93Å; T287-A289 PolarHBondContact OG1-O 3.1Å; A289-R291 PolarHBondContact O-N 3.02Å |
| 290 | S | 97.1 | Very high | 93.6 | Very high | 90 Ų | 90 | 63.8 Ų | 63.8 | 63% | 0.629 | 36% | 0.361 | S | S | * | . | trans | -63.9 | 134.7 | 179.9 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | N283 | N283-S290 VanDerWaalsContact OD1-CA 3.27Å; N283-S290 WeakPolarHBondContact OD1-CA 3.42Å | ||
| 291 | R | 98.1 | Very high | 91.2 | Very high | 17 Ų | 17 | 67.9 Ų | 67.9 | 6% | 0.064 | 38% | 0.384 | C | S | . | . | trans | -90.9 | 157.1 | 166.8 | 60.6 | 172.4 | 173.8 | -179.6 | 0.3 | 110.8 | Y49 Q50 L227 L281 L282 N283 A289 | Y49-R291 HydrophobicContact CD1-CB 4.1Å; Y49-R291 HydrophobicContact CD1-CG 3.78Å; Y49-R291 HydrophobicContact CE1-CB 3.88Å; Y49-R291 HydrophobicContact CE1-CG 3.94Å; Y49-R291 PolarHBondContact O-NH1 3.5Å; Y49-R291 VanDerWaalsContact O-NH1 3.08Å; Q50-R291 PolarHBondContact O-NH1 3.1Å; Q50-R291 VanDerWaalsContact O-NH1 3.16Å; Q50-R291 PolarHBondContact O-NH2 2.93Å; L227-R291 WeakPolarHBondContact O-CD 2.93Å; L227-R291 PolarHBondContact O-NH1 2.73Å; L281-R291 PolarHBondContact O-NH2 3.04Å; L282-R291 HydrophobicContact CD1-CG 4.01Å; L282-R291 WeakPolarHBondContact O-CG 3.29Å; L282-R291 PolarHBondContact O-NE 2.93Å; L282-R291 PolarHBondContact O-NH2 3.27Å; N283-R291 PolarHBondContact ND2-O 2.7Å; N283-R291 WeakPolarHBondContact OD1-CG 3.2Å; N283-R291 PolarHBondContact OD1-N 2.8Å; A289-R291 PolarHBondContact O-N 3.02Å | ||
| 292 | T | 98.3 | Very high | 88.9 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | trans | -109.9 | 135.8 | 179.9 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | Y294 | T292-Y294 HydrophobicContact CG2-CD1 4.27Å; T292-Y294 HydrophobicContact CG2-CD2 4.37Å; T292-Y294 HydrophobicContact CG2-CE1 3.96Å; T292-Y294 HydrophobicContact CG2-CE2 4.07Å; T292-Y294 HydrophobicContact CG2-CG 4.47Å; T292-Y294 WeakPolarHBondContact O-CD2 3.23Å | ||
| 293 | L | 98.8 | Very high | 86.1 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | trans | -82.2 | 116.3 | 165.2 | 176.9 | 60.8 | 0 | 0 | 0 | 108.8 | I53 L55 S60 T61 F224 Y226 L282 | I53-L293 HydrophobicContact CD1-CD1 4.21Å; L55-L293 HydrophobicContact CD2-CD1 3.82Å; L55-L293 HydrophobicContact CD2-CD2 4.47Å; S60-L293 CarbonylContact C-O 3.49Å; S60-L293 VanDerWaalsContact CA-O 3.32Å; S60-L293 WeakPolarHBondContact CA-O 3.29Å; T61-L293 PolarHBondContact N-O 3.15Å; F224-L293 HydrophobicContact CB-CD1 4.01Å; F224-L293 HydrophobicContact CD1-CD1 3.78Å; F224-L293 HydrophobicContact CD1-CD2 3.93Å; F224-L293 HydrophobicContact CD1-CG 3.86Å; F224-L293 HydrophobicContact CE1-CD2 4.03Å; F224-L293 HydrophobicContact CE1-CG 4.36Å; F224-L293 HydrophobicContact CG-CD1 4.26Å; Y226-L293 HydrophobicContact CD1-CD1 4.24Å; Y226-L293 HydrophobicContact CG-CD1 4.5Å; L282-L293 HydrophobicContact CD1-CB 4.23Å; L282-L293 HydrophobicContact CD2-CB 4.13Å | ||
| 294 | Y | 98.7 | Very high | 83.4 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 34% | 0.341 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 157 | 174.9 | -62.6 | -84.3 | 0 | 0 | 0 | 111.3 | T61 D63 F224 R225 T292 | T61-Y294 HydrophobicContact CG2-CD1 4.14Å; T61-Y294 HydrophobicContact CG2-CE1 4.22Å; T61-Y294 CarbonylContact O-C 3.52Å; T61-Y294 VanDerWaalsContact O-CA 3.25Å; T61-Y294 WeakPolarHBondContact O-CA 3.32Å; D63-Y294 HydrophobicContact CB-CD1 4.09Å; F224-Y294 CarbonylContact C-O 3.57Å; F224-Y294 VanDerWaalsContact CA-O 3.31Å; F224-Y294 WeakPolarHBondContact CA-O 3.34Å; R225-Y294 PolarHBondContact N-O 2.97Å; R225-Y294 WeakPolarHBondContact O-CA 3.47Å; R225-Y294 WeakPolarHBondContact O-CB 3.15Å; R225-Y294 PolarHBondContact O-N 3.36Å; T292-Y294 HydrophobicContact CG2-CD1 4.27Å; T292-Y294 HydrophobicContact CG2-CD2 4.37Å; T292-Y294 HydrophobicContact CG2-CE1 3.96Å; T292-Y294 HydrophobicContact CG2-CE2 4.07Å; T292-Y294 HydrophobicContact CG2-CG 4.47Å; T292-Y294 WeakPolarHBondContact O-CD2 3.23Å |
| 295 | R | 98.4 | Very high | 81.1 | Confident | 63 Ų | 63 | 74.5 Ų | 74.5 | 24% | 0.238 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139.6 | 172.4 | -177.6 | 162.1 | 51.8 | 85.7 | -4.7 | 110.5 | T57 S60 T61 L62 D63 Y223 F224 I245 | T57-R295 PolarHBondContact O-NH2 2.78Å; S60-R295 PolarHBondContact OG-NE 3.12Å; T61-R295 PolarHBondContact O-N 3Å; L62-R295 WeakPolarHBondContact CA-O 3.49Å; D63-R295 PolarHBondContact N-O 3.39Å; Y223-R295 CarbonylContact O-C 3.54Å; Y223-R295 WeakPolarHBondContact O-CA 3.25Å; F224-R295 HydrophobicContact CD1-CB 4.12Å; F224-R295 HydrophobicContact CD1-CG 4.43Å; F224-R295 HydrophobicContact CE1-CB 4.24Å; F224-R295 HydrophobicContact CE1-CG 4.37Å; I245-R295 HydrophobicContact CD1-CG 4.05Å |
| 296 | A | 98.1 | Very high | 78.8 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.008 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 149.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L66 S221 Y223 | L66-A296 HydrophobicContact CB-CB 3.69Å; L66-A296 HydrophobicContact CD1-CB 3.98Å; L66-A296 HydrophobicContact CG-CB 4.49Å; S221-A296 CarbonylContact O-C 3.55Å; Y223-A296 HydrophobicContact CD1-CB 4.02Å; Y223-A296 HydrophobicContact CD2-CB 3.71Å; Y223-A296 HydrophobicContact CE1-CB 3.73Å; Y223-A296 HydrophobicContact CE2-CB 3.42Å; Y223-A296 VanDerWaalsContact CE2-CB 3.42Å; Y223-A296 HydrophobicContact CG-CB 4.02Å; Y223-A296 VanDerWaalsContact CZ-CB 3.44Å; Y223-A296 PolarHBondContact N-O 3.31Å; Y223-A296 PolarHBondContact O-N 3.2Å |
| 297 | T | 95.6 | Very high | 76.5 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 33% | 0.331 | 42% | 0.416 | S | S | . | . | trans | -148.3 | 156.7 | 168.3 | -166.4 | 0 | 0 | 0 | 0 | 108.3 | L62 L64 S221 S299 | L62-T297 HydrophobicContact CD1-CG2 3.87Å; L64-T297 HydrophobicContact CD2-CG2 4.34Å; S221-T297 CarbonylContact O-C 3.5Å; S221-T297 VanDerWaalsContact O-CA 3.24Å; S221-T297 WeakPolarHBondContact O-CA 3.4Å; S221-T297 PolarHBondContact O-N 3.46Å; T297-S299 PolarHBondContact O-N 3.11Å | ||
| 298 | A | 87.6 | Confident | 74.2 | Confident | 41 Ų | 41 | 71.5 Ų | 71.5 | 34% | 0.339 | 42% | 0.424 | S | S | . | . | trans | -58.9 | 127 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | S300 | A298-S300 PolarHBondContact O-N 3.47Š| ||
| 299 | S | 68.3 | Low | 72.1 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 32% | 0.315 | 41% | 0.412 | S | S | . | . | trans | -65.4 | 132.2 | 170.4 | 59.7 | 0 | 0 | 0 | 0 | 108.8 | T297 L301 S302 | T297-S299 PolarHBondContact O-N 3.11Å; S299-L301 PolarHBondContact O-N 2.76Å; S299-S302 PolarHBondContact O-N 3.46Å; S299-S302 PolarHBondContact O-OG 3.47Å | ||
| 300 | S | 55.5 | Low | 69.8 | Low | 92 Ų | 92 | 72 Ų | 72 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -23.1 | 174.3 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | A298 S302 L303 | A298-S300 PolarHBondContact O-N 3.47Å; S300-S302 VanDerWaalsContact C-N 3.3Å; S300-S302 PolarHBondContact O-N 3.3Å; S300-L303 PolarHBondContact O-N 3.21Å |
| 301 | L | 48.7 | Very low | 67.4 | Low | 137 Ų | 137 | 76.2 Ų | 76.2 | 72% | 0.717 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.9 | -24.4 | 173.9 | -78.3 | 141.1 | 0 | 0 | 0 | 114.7 | S299 | S299-L301 PolarHBondContact O-N 2.76Å |
| 302 | S | 48.4 | Very low | 65.3 | Low | 51 Ų | 51 | 81 Ų | 81 | 36% | 0.357 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -80.2 | -16.6 | 179.3 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | S299 S300 S305 | S299-S302 PolarHBondContact O-N 3.46Å; S299-S302 PolarHBondContact O-OG 3.47Å; S300-S302 VanDerWaalsContact C-N 3.3Å; S300-S302 PolarHBondContact O-N 3.3Å; S302-S305 PolarHBondContact O-OG 2.67Å; S302-S305 VanDerWaalsContact O-OG 3.13Å |
| 303 | L | 40.5 | Very low | 63 | Low | 131 Ų | 131 | 84.1 Ų | 84.1 | 69% | 0.686 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -80.4 | -21.9 | 177.9 | -75.6 | 158.9 | 0 | 0 | 0 | 112.6 | S300 S307 | S300-L303 PolarHBondContact O-N 3.21Å; L303-S307 PolarHBondContact O-OG 3.05Å; L303-S307 VanDerWaalsContact O-OG 3.13Å |
| 304 | L | 41.5 | Very low | 60.9 | Low | 126 Ų | 126 | 88.6 Ų | 88.6 | 66% | 0.66 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -82.4 | -23.2 | 178.5 | -73.6 | 158.7 | 0 | 0 | 0 | 112.8 | S307 G308 | L304-S307 PolarHBondContact O-OG 2.79Å; L304-G308 PolarHBondContact O-N 3.25Å; L304-G308 VanDerWaalsContact O-N 3.16Å |
| 305 | S | 48 | Very low | 58.6 | Low | 63 Ų | 63 | 88.2 Ų | 88.2 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.3 | -28.6 | -179.9 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | S302 I309 | S302-S305 PolarHBondContact O-OG 2.67Å; S302-S305 VanDerWaalsContact O-OG 3.13Å; S305-I309 VanDerWaalsContact O-CD1 3.23Å; S305-I309 WeakPolarHBondContact O-CD1 3.36Å; S305-I309 WeakPolarHBondContact O-CG1 3.37Å; S305-I309 PolarHBondContact O-N 2.87Å |
| 306 | L | 48.5 | Very low | 56.3 | Low | 138 Ų | 138 | 88.2 Ų | 88.2 | 72% | 0.723 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -81.7 | -35.2 | 177 | -89.8 | 121.4 | 0 | 0 | 0 | 113.2 | L310 | L306-L310 PolarHBondContact O-N 2.91Å |
| 307 | S | 48.1 | Very low | 54 | Low | 69 Ų | 69 | 95.3 Ų | 95.3 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -74.4 | -33.8 | 176 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | L303 L304 Y311 | L303-S307 PolarHBondContact O-OG 3.05Å; L303-S307 VanDerWaalsContact O-OG 3.13Å; L304-S307 PolarHBondContact O-OG 2.79Å; S307-Y311 PolarHBondContact O-N 3.24Å |
| 308 | G | 47.3 | Very low | 51.9 | Low | 32 Ų | 32 | 99 Ų | 99 | 33% | 0.33 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.8 | -37.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L304 Y311 I312 | L304-G308 PolarHBondContact O-N 3.25Å; L304-G308 VanDerWaalsContact O-N 3.16Å; G308-Y311 PolarHBondContact O-N 3.07Å; G308-I312 WeakPolarHBondContact O-CG1 3.35Å; G308-I312 PolarHBondContact O-N 2.76Å |
| 309 | I | 52.1 | Low | 50.1 | Low | 106 Ų | 106 | 101.2 Ų | 101.2 | 54% | 0.544 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.1 | -35.7 | 179.6 | -67.1 | 169.8 | 0 | 0 | 0 | 111.2 | S305 Y311 I312 M313 | S305-I309 VanDerWaalsContact O-CD1 3.23Å; S305-I309 WeakPolarHBondContact O-CD1 3.36Å; S305-I309 WeakPolarHBondContact O-CG1 3.37Å; S305-I309 PolarHBondContact O-N 2.87Å; I309-Y311 VanDerWaalsContact C-N 3.32Å; I309-Y311 PolarHBondContact O-N 3.21Å; I309-I312 PolarHBondContact O-N 2.59Å; I309-M313 WeakPolarHBondContact O-CG 3.21Å; I309-M313 PolarHBondContact O-N 3.34Å; I309-M313 VanDerWaalsContact O-N 3.15Å |
| 310 | L | 47.4 | Very low | 49.3 | Very low | 109 Ų | 109 | 105 Ų | 105 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67 | -34.1 | 175.9 | -164.6 | 66.9 | 0 | 0 | 0 | 112 | L306 I314 | L306-L310 PolarHBondContact O-N 2.91Å; L310-I314 HydrophobicContact CG-CD1 4.07Å; L310-I314 WeakPolarHBondContact O-CD1 3.25Å; L310-I314 VanDerWaalsContact O-CG1 3.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.34Å; L310-I314 PolarHBondContact O-N 2.6Å |
| 311 | Y | 47.5 | Very low | 49.1 | Very low | 178 Ų | 178 | 107.1 Ų | 107.1 | 70% | 0.698 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.1 | -32.2 | 177.6 | -136.1 | -92.2 | 0 | 0 | 0 | 113 | S307 G308 I309 T315 | S307-Y311 PolarHBondContact O-N 3.24Å; G308-Y311 PolarHBondContact O-N 3.07Å; I309-Y311 VanDerWaalsContact C-N 3.32Å; I309-Y311 PolarHBondContact O-N 3.21Å; Y311-T315 HydrophobicContact CD1-CG2 4.44Å; Y311-T315 WeakPolarHBondContact O-CG2 3.25Å; Y311-T315 PolarHBondContact O-N 2.64Å; Y311-T315 PolarHBondContact O-OG1 3.18Å |
| 312 | I | 53.5 | Low | 48.9 | Very low | 119 Ų | 119 | 109.6 Ų | 109.6 | 61% | 0.61 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -77.1 | -31.2 | 178 | -65.9 | 169.2 | 0 | 0 | 0 | 111.6 | G308 I309 T315 S316 | G308-I312 WeakPolarHBondContact O-CG1 3.35Å; G308-I312 PolarHBondContact O-N 2.76Å; I309-I312 PolarHBondContact O-N 2.59Å; I312-T315 PolarHBondContact O-OG1 2.9Å; I312-S316 WeakPolarHBondContact O-CB 3.23Å; I312-S316 PolarHBondContact O-N 2.56Å; I312-S316 PolarHBondContact O-OG 2.89Å |
| 313 | M | 51.1 | Low | 48.8 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 60% | 0.596 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -76.3 | -31.4 | 176.3 | -68.5 | -130.4 | -75.7 | 0 | 0 | 113.4 | I309 S316 Q317 | I309-M313 WeakPolarHBondContact O-CG 3.21Å; I309-M313 PolarHBondContact O-N 3.34Å; I309-M313 VanDerWaalsContact O-N 3.15Å; M313-S316 PolarHBondContact O-OG 2.91Å; M313-Q317 PolarHBondContact O-N 3.3Å |
| 314 | I | 53.3 | Low | 49.2 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -76.2 | -31.1 | 177.9 | -64.7 | 169.4 | 0 | 0 | 0 | 111.5 | L310 L318 | L310-I314 HydrophobicContact CG-CD1 4.07Å; L310-I314 WeakPolarHBondContact O-CD1 3.25Å; L310-I314 VanDerWaalsContact O-CG1 3.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.34Å; L310-I314 PolarHBondContact O-N 2.6Å; I314-L318 HydrophobicContact CG2-CD1 4.35Å; I314-L318 WeakPolarHBondContact O-CD1 3.3Å |
| 315 | T | 52.1 | Low | 49.6 | Very low | 79 Ų | 79 | 118.1 Ų | 118.1 | 49% | 0.485 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -81.2 | -24.7 | 179.3 | 49 | 0 | 0 | 0 | 0 | 113.8 | Y311 I312 S319 | Y311-T315 HydrophobicContact CD1-CG2 4.44Å; Y311-T315 WeakPolarHBondContact O-CG2 3.25Å; Y311-T315 PolarHBondContact O-N 2.64Å; Y311-T315 PolarHBondContact O-OG1 3.18Å; I312-T315 PolarHBondContact O-OG1 2.9Å; T315-S319 PolarHBondContact O-OG 2.89Å |
| 316 | S | 49.8 | Very low | 49.7 | Very low | 63 Ų | 63 | 121.2 Ų | 121.2 | 44% | 0.441 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -84.4 | -19 | 176.4 | 52.4 | 0 | 0 | 0 | 0 | 114.4 | I312 M313 S319 | I312-S316 WeakPolarHBondContact O-CB 3.23Å; I312-S316 PolarHBondContact O-N 2.56Å; I312-S316 PolarHBondContact O-OG 2.89Å; M313-S316 PolarHBondContact O-OG 2.91Å; S316-S319 PolarHBondContact O-OG 3.37Å |
| 317 | Q | 50.2 | Low | 49.8 | Very low | 151 Ų | 151 | 120.2 Ų | 120.2 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -88.8 | -16.5 | 174.5 | -70.6 | -153.3 | -12.4 | 0 | 0 | 114.4 | M313 | M313-Q317 PolarHBondContact O-N 3.3Å |
| 318 | L | 49.8 | Very low | 49.9 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 69% | 0.686 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -9.3 | 177.4 | -77.3 | 163.8 | 0 | 0 | 0 | 113.8 | I314 | I314-L318 HydrophobicContact CG2-CD1 4.35Å; I314-L318 WeakPolarHBondContact O-CD1 3.3Å |
| 319 | S | 51.2 | Low | 50.1 | Low | 88 Ų | 88 | 129.5 Ų | 129.5 | 62% | 0.615 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 3.8 | -177.3 | 32.1 | 0 | 0 | 0 | 0 | 114.6 | T315 S316 | T315-S319 PolarHBondContact O-OG 2.89Å; S316-S319 PolarHBondContact O-OG 3.37Å |
| 320 | V | 51.8 | Low | 49.9 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 75% | 0.745 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -114.4 | 7.6 | -176.5 | -175 | 0 | 0 | 0 | 0 | 113.1 | ||
| 321 | I | 50.4 | Low | 50.1 | Low | 137 Ų | 137 | 132.8 Ų | 132.8 | 70% | 0.703 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -109.2 | 4.3 | -177 | -66.8 | 168.2 | 0 | 0 | 0 | 113.4 | ||
| 322 | F | 45.6 | Very low | 50.3 | Low | 189 Ų | 189 | 129.1 Ų | 129.1 | 83% | 0.829 | 69% | 0.686 | S | S | * | * | trans | -128.9 | 84.4 | 173.9 | -79.3 | -85.7 | 0 | 0 | 0 | 110.9 | ||||
| 323 | L | 45.4 | Very low | 50 | Low | 251 Ų | 251 | 130 Ų | 130 | 100% | 1.314 | 69% | 0.692 | S | S | * | * | trans | -167 | 0 | 154.7 | -105.8 | 150.8 | 0 | 0 | 0 | 110.5 |
Retrieved 323 of 323 residues in 139.9 ms
(Link to these results)