| 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 | 24 | Very low | 25.4 | Very low | 242 Ų | 242 | 136 Ų | 136 | 100% | 1.192 | 68% | 0.682 | S | S | * | * | 0 | 114.9 | 0 | -81.9 | 173.2 | 176.8 | 0 | 0 | 108.1 | |||||
| 2 | L | 21.5 | Very low | 25.7 | Very low | 175 Ų | 175 | 130.4 Ų | 130.4 | 92% | 0.916 | 65% | 0.651 | S | S | * | * | trans | 46.7 | 83.8 | 168.3 | -67.9 | 160.4 | 0 | 0 | 0 | 118.5 | R4 | L2-R4 PolarHBondContact O-N 3.45Š| ||
| 3 | Y | 21 | Very low | 25.6 | Very low | 239 Ų | 239 | 136.5 Ų | 136.5 | 94% | 0.937 | 67% | 0.67 | S | S | * | * | trans | -61.2 | 121.6 | 159.4 | -95.4 | -101.6 | 0 | 0 | 0 | 110.4 | ||||
| 4 | R | 22.2 | Very low | 25.8 | Very low | 249 Ų | 249 | 131.8 Ų | 131.8 | 94% | 0.94 | 64% | 0.642 | S | S | * | * | trans | -121.5 | 101.5 | 166.5 | -95 | -174.5 | 173.5 | -169.5 | -0.8 | 108 | L2 | L2-R4 PolarHBondContact O-N 3.45Š| ||
| 5 | G | 25.2 | Very low | 25.8 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 78% | 0.784 | 66% | 0.658 | S | S | * | * | trans | -132.4 | 90.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 6 | S | 25.7 | Very low | 25.8 | Very low | 81 Ų | 81 | 131.3 Ų | 131.3 | 57% | 0.566 | 64% | 0.643 | S | S | * | * | trans | -63.3 | 133.1 | 165 | -47.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 7 | L | 27 | Very low | 25.9 | Very low | 64 Ų | 64 | 136.3 Ų | 136.3 | 34% | 0.335 | 66% | 0.661 | S | S | . | * | 173.5 | 119.1 | 83.8 | -106.6 | 133.1 | 0 | 0 | 0 | 111.4 | A172 | L7-A172 HydrophobicContact CD1-CB 3.73Å; L7-A172 HydrophobicContact CD2-CB 3.15Å; L7-A172 HydrophobicContact CG-CB 3.67Å | |||
| 8 | I | 30.6 | Very low | 25.9 | Very low | 49 Ų | 49 | 134.7 Ų | 134.7 | 25% | 0.251 | 65% | 0.652 | S | S | . | * | trans | 43.4 | 106.8 | 137.3 | -45.1 | 176.9 | 0 | 0 | 0 | 119.1 | W10 A172 A175 K176 M179 | I8-W10 HydrophobicContact CG2-CZ2 3.79Å; I8-A172 WeakPolarHBondContact CD1-O 3.37Å; I8-A175 HydrophobicContact CD1-CB 4.42Å; I8-K176 HydrophobicContact CD1-CB 3.68Å; I8-M179 HydrophobicContact CG2-CE 3.5Å; I8-M179 HydrophobicContact CG2-SD 3.49Å; I8-M179 WeakPolarHBondContact CG2-SD 2.96Å | ||
| 9 | T | 25.9 | Very low | 25.9 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 56% | 0.558 | 66% | 0.661 | S | S | * | * | trans | -76.6 | 128.6 | 165.7 | 48 | 0 | 0 | 0 | 0 | 112.4 | T65 M179 | T9-T65 HydrophobicContact CG2-CG2 3.15Å; T9-M179 WeakPolarHBondContact O-CE 3.45Å | ||
| 10 | W | 30.6 | Very low | 25.9 | Very low | 56 Ų | 56 | 135.9 Ų | 135.9 | 21% | 0.212 | 67% | 0.665 | C | S | . | * | trans | -114.9 | 128.2 | 173.7 | -58.5 | 80.9 | 0 | 0 | 0 | 111.1 | I8 F12 A175 M179 S195 Y233 | I8-W10 HydrophobicContact CG2-CZ2 3.79Å; W10-F12 HydrophobicContact CE3-CD2 4.11Å; W10-F12 AromaticContact CE3-CE2 3.59Å; W10-F12 HydrophobicContact CE3-CE2 3.59Å; W10-F12 HydrophobicContact CZ3-CE2 4.05Å; W10-A175 HydrophobicContact CH2-CB 3.86Å; W10-A175 WeakPolarHBondContact CH2-O 3.29Å; W10-A175 HydrophobicContact CZ2-CB 3.48Å; W10-A175 VanDerWaalsContact CZ2-CB 3.48Å; W10-M179 HydrophobicContact CB-CE 4.17Å; W10-M179 HydrophobicContact CD2-CE 3.06Å; W10-M179 HydrophobicContact CD2-SD 4.45Å; W10-M179 HydrophobicContact CE3-CE 3.09Å; W10-M179 HydrophobicContact CE3-CG 4.18Å; W10-M179 HydrophobicContact CE3-SD 4.34Å; W10-M179 HydrophobicContact CG-CE 3.59Å; W10-M179 HydrophobicContact CH2-CE 3.45Å; W10-M179 VanDerWaalsContact CH2-CE 3.45Å; W10-M179 HydrophobicContact CH2-CG 3.25Å; W10-M179 HydrophobicContact CH2-SD 3.68Å; W10-M179 HydrophobicContact CZ2-CE 3.5Å; W10-M179 VanDerWaalsContact CZ2-CE 3.5Å; W10-M179 HydrophobicContact CZ2-CG 4.07Å; W10-M179 HydrophobicContact CZ2-SD 3.89Å; W10-M179 HydrophobicContact CZ3-CE 3.24Å; W10-M179 HydrophobicContact CZ3-CG 3.31Å; W10-M179 HydrophobicContact CZ3-SD 3.93Å; W10-S195 VanDerWaalsContact CH2-OG 3.23Å; W10-S195 WeakPolarHBondContact CH2-OG 3.38Å; W10-S195 WeakPolarHBondContact CZ3-OG 3.22Å; W10-Y233 HydrophobicContact CB-CE2 4.18Å; W10-Y233 WeakPolarHBondContact CB-OH 2.78Å; W10-Y233 HydrophobicContact CG-CE1 4.45Å; W10-Y233 AromaticContact CG-CZ 3.74Å | ||
| 11 | Q | 25.2 | Very low | 26 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | trans | -126.4 | 116.8 | 165.6 | -82.1 | -168.2 | -67.4 | 0 | 0 | 108.1 | ||||
| 12 | F | 29.4 | Very low | 26.4 | Very low | 69 Ų | 69 | 129.9 Ų | 129.9 | 30% | 0.303 | 64% | 0.642 | S | S | . | * | trans | -135.6 | 143.8 | 172.5 | -75 | -72 | 0 | 0 | 0 | 112 | W10 P191 | W10-F12 HydrophobicContact CE3-CD2 4.11Å; W10-F12 AromaticContact CE3-CE2 3.59Å; W10-F12 HydrophobicContact CE3-CE2 3.59Å; W10-F12 HydrophobicContact CZ3-CE2 4.05Å; F12-P191 HydrophobicContact CD1-CB 4.05Å; F12-P191 HydrophobicContact CD1-CG 3.97Å; F12-P191 HydrophobicContact CD2-CB 4.11Å; F12-P191 HydrophobicContact CE1-CB 3.48Å; F12-P191 VanDerWaalsContact CE1-CB 3.48Å; F12-P191 HydrophobicContact CE1-CG 3.27Å; F12-P191 HydrophobicContact CE2-CB 3.53Å; F12-P191 HydrophobicContact CE2-CG 4.28Å; F12-P191 HydrophobicContact CG-CB 4.37Å; F12-P191 HydrophobicContact CZ-CB 3.18Å; F12-P191 HydrophobicContact CZ-CG 3.45Å; F12-P191 VanDerWaalsContact CZ-CG 3.45Å | ||
| 13 | K | 24.1 | Very low | 26.7 | Very low | 209 Ų | 209 | 128 Ų | 128 | 91% | 0.909 | 63% | 0.632 | S | S | * | * | trans | -111.3 | 126.5 | -172.2 | -162 | -178.6 | -174.9 | -172.7 | 0 | 107.3 | ||||
| 14 | Y | 28.2 | Very low | 27 | Very low | 71 Ų | 71 | 126.6 Ų | 126.6 | 28% | 0.278 | 63% | 0.625 | S | S | . | * | trans | -110 | 142.3 | -169.7 | -68.9 | -85.8 | 0 | 0 | 0 | 114 | D192 Y233 Y236 | Y14-D192 WeakPolarHBondContact CE1-OD2 3.47Å; Y14-D192 PolarHBondContact OH-OD1 2.63Å; Y14-Y233 PolarHBondContact OH-O 3.18Å; Y14-Y236 HydrophobicContact CD1-CE2 4.25Å; Y14-Y236 HydrophobicContact CE1-CE2 4.26Å | ||
| 15 | E | 25.8 | Very low | 27.4 | Very low | 186 Ų | 186 | 117.8 Ų | 117.8 | 87% | 0.869 | 60% | 0.601 | S | S | * | * | trans | -133.1 | 151.6 | 157.3 | -75.4 | -166.1 | 172.5 | 0 | 0 | 110.2 | ||||
| 16 | V | 26.6 | Very low | 27.8 | Very low | 69 Ų | 69 | 116.1 Ų | 116.1 | 42% | 0.418 | 58% | 0.576 | S | S | . | * | trans | -115.1 | 140.9 | -157.7 | 175.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 17 | F | 27 | Very low | 27.9 | Very low | 217 Ų | 217 | 117.1 Ų | 117.1 | 95% | 0.952 | 58% | 0.583 | S | S | * | * | trans | -150.1 | 139.4 | 158.5 | -96.6 | -81.9 | 0 | 0 | 0 | 113.8 | ||||
| 18 | H | 26.7 | Very low | 28.3 | Very low | 108 Ų | 108 | 116.5 Ų | 116.5 | 50% | 0.5 | 58% | 0.582 | S | S | . | * | trans | -91.9 | 151.8 | -175.2 | -97.1 | -116.2 | 0 | 0 | 0 | 114 | Q30 | H18-Q30 PolarHBondContact CD2-NE2 3.02Å; H18-Q30 VanDerWaalsContact CD2-NE2 3.26Å; H18-Q30 VanDerWaalsContact CE1-CD 3.42Å; H18-Q30 PolarHBondContact CE1-NE2 2.87Å; H18-Q30 PolarHBondContact CE1-OE1 3.45Å; H18-Q30 PolarHBondContact ND1-NE2 3.27Å; H18-Q30 PolarHBondContact NE2-NE2 3.18Å; H18-Q30 PolarHBondContact NE2-OE1 2.9Å | ||
| 19 | F | 24.7 | Very low | 28.6 | Very low | 189 Ų | 189 | 115.1 Ų | 115.1 | 83% | 0.829 | 58% | 0.577 | S | S | * | * | 169.6 | 133.9 | 106.9 | -105.5 | -87 | 0 | 0 | 0 | 116.1 | |||||
| 20 | S | 25.8 | Very low | 29 | Very low | 104 Ų | 104 | 116.5 Ų | 116.5 | 73% | 0.727 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 81.8 | 129.3 | 146.9 | 65.9 | 0 | 0 | 0 | 0 | 123.7 | ||
| 21 | A | 29.2 | Very low | 29.5 | Very low | 91 Ų | 91 | 117.1 Ų | 117.1 | 75% | 0.752 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 94 | -5.5 | 164 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||
| 22 | Y | 31.7 | Very low | 30.1 | Very low | 160 Ų | 160 | 112.1 Ų | 112.1 | 63% | 0.627 | 56% | 0.561 | S | S | * | * | trans | -95.8 | 17.5 | -177.8 | -92.2 | -98.2 | 0 | 0 | 0 | 116.4 | W24 C25 T26 I238 | Y22-W24 VanDerWaalsContact C-N 3.32Å; Y22-W24 PolarHBondContact O-N 2.87Å; Y22-C25 PolarHBondContact O-N 3.45Å; Y22-T26 HydrophobicContact CD1-CG2 4.3Å; Y22-T26 HydrophobicContact CG-CG2 4.3Å; Y22-T26 PolarHBondContact O-N 3.34Å; Y22-T26 PolarHBondContact O-OG1 2.84Å; Y22-I238 HydrophobicContact CD1-CD1 4.04Å; Y22-I238 HydrophobicContact CE1-CD1 3.79Å | ||
| 23 | L | 27.7 | Very low | 30.8 | Very low | 137 Ų | 137 | 112.2 Ų | 112.2 | 72% | 0.717 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -7 | -148.9 | -95.1 | 142.6 | 0 | 0 | 0 | 120.1 | ||
| 24 | W | 27.9 | Very low | 31.6 | Very low | 208 Ų | 208 | 107 Ų | 107 | 79% | 0.788 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -24.7 | 177.8 | -89.7 | 61.5 | 0 | 0 | 0 | 114.7 | Y22 L250 | Y22-W24 VanDerWaalsContact C-N 3.32Å; Y22-W24 PolarHBondContact O-N 2.87Å; W24-L250 HydrophobicContact CZ2-CD2 4.49Å |
| 25 | C | 30.2 | Very low | 32.6 | Very low | 65 Ų | 65 | 109.5 Ų | 109.5 | 44% | 0.439 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.6 | -14.3 | 171.6 | -71.8 | 0 | 0 | 0 | 0 | 112.6 | Y22 | Y22-C25 PolarHBondContact O-N 3.45Š|
| 26 | T | 34 | Very low | 33.9 | Very low | 41 Ų | 41 | 104.1 Ų | 104.1 | 25% | 0.252 | 55% | 0.546 | S | S | . | . | trans | -101.7 | 5.4 | -176.5 | 54.4 | 0 | 0 | 0 | 0 | 115.2 | Y22 T28 A29 | Y22-T26 HydrophobicContact CD1-CG2 4.3Å; Y22-T26 HydrophobicContact CG-CG2 4.3Å; Y22-T26 PolarHBondContact O-N 3.34Å; Y22-T26 PolarHBondContact O-OG1 2.84Å; T26-T28 PolarHBondContact O-N 2.86Å; T26-A29 PolarHBondContact O-N 3.32Å | ||
| 27 | S | 28.1 | Very low | 35.4 | Very low | 101 Ų | 101 | 102.9 Ų | 102.9 | 71% | 0.706 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -3.7 | -178.4 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 28 | T | 34.6 | Very low | 37.6 | Very low | 52 Ų | 52 | 98.7 Ų | 98.7 | 32% | 0.319 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 7.9 | 180 | 53.4 | 0 | 0 | 0 | 0 | 114.5 | T26 F31 R231 | T26-T28 PolarHBondContact O-N 2.86Å; T28-F31 WeakPolarHBondContact O-CE2 3.17Å; T28-R231 WeakPolarHBondContact OG1-CD 3.47Å; T28-R231 PolarHBondContact OG1-NE 3.43Å |
| 29 | A | 36.9 | Very low | 40.4 | Very low | 19 Ų | 19 | 93.9 Ų | 93.9 | 16% | 0.157 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -107.8 | 0.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T26 P235 | T26-A29 PolarHBondContact O-N 3.32Å; A29-P235 WeakPolarHBondContact CB-O 3.29Å |
| 30 | Q | 34.6 | Very low | 43.5 | Very low | 120 Ų | 120 | 87.6 Ų | 87.6 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | trans | -112.1 | 83.7 | -178.6 | -62.4 | -168.7 | -53.6 | 0 | 0 | 110.4 | H18 | H18-Q30 PolarHBondContact CD2-NE2 3.02Å; H18-Q30 VanDerWaalsContact CD2-NE2 3.26Å; H18-Q30 VanDerWaalsContact CE1-CD 3.42Å; H18-Q30 PolarHBondContact CE1-NE2 2.87Å; H18-Q30 PolarHBondContact CE1-OE1 3.45Å; H18-Q30 PolarHBondContact ND1-NE2 3.27Å; H18-Q30 PolarHBondContact NE2-NE2 3.18Å; H18-Q30 PolarHBondContact NE2-OE1 2.9Å | ||
| 31 | F | 41.2 | Very low | 46.5 | Very low | 70 Ų | 70 | 87.7 Ų | 87.7 | 31% | 0.307 | 49% | 0.493 | S | S | . | . | trans | -99.8 | 98.1 | 164.8 | -69 | -77.4 | 0 | 0 | 0 | 108.3 | T28 V33 Y36 Y105 | T28-F31 WeakPolarHBondContact O-CE2 3.17Å; F31-V33 PolarHBondContact O-N 3.19Å; F31-V33 VanDerWaalsContact O-N 3.13Å; F31-Y36 AromaticContact CD1-CE2 3.87Å; F31-Y36 HydrophobicContact CD1-CE2 3.87Å; F31-Y105 HydrophobicContact CB-CD1 4.37Å; F31-Y105 HydrophobicContact CB-CD2 4.16Å; F31-Y105 HydrophobicContact CB-CE1 4.49Å; F31-Y105 HydrophobicContact CB-CE2 4.3Å; F31-Y105 HydrophobicContact CB-CG 4.21Å; F31-Y105 HydrophobicContact CD1-CD2 4.03Å; F31-Y105 HydrophobicContact CD1-CE1 4.47Å; F31-Y105 AromaticContact CD1-CE2 3.43Å; F31-Y105 HydrophobicContact CD1-CE2 3.43Å; F31-Y105 VanDerWaalsContact CD1-CE2 3.43Å; F31-Y105 AromaticContact CD1-CZ 3.69Å; F31-Y105 HydrophobicContact CD2-CD1 4.3Å; F31-Y105 AromaticContact CD2-CE1 3.65Å; F31-Y105 HydrophobicContact CD2-CE1 3.65Å; F31-Y105 HydrophobicContact CD2-CE2 4.12Å; F31-Y105 AromaticContact CD2-CZ 3.56Å; F31-Y105 AromaticContact CE1-CE2 3.7Å; F31-Y105 HydrophobicContact CE1-CE2 3.7Å; F31-Y105 AromaticContact CE1-CZ 3.73Å; F31-Y105 WeakPolarHBondContact CE1-OH 3.43Å; F31-Y105 AromaticContact CE2-CE1 3.96Å; F31-Y105 HydrophobicContact CE2-CE1 3.96Å; F31-Y105 HydrophobicContact CE2-CE2 4.35Å; F31-Y105 AromaticContact CE2-CZ 3.59Å; F31-Y105 VanDerWaalsContact CE2-OH 3.22Å; F31-Y105 WeakPolarHBondContact CE2-OH 3.19Å; F31-Y105 HydrophobicContact CG-CD1 4.29Å; F31-Y105 HydrophobicContact CG-CD2 4.04Å; F31-Y105 AromaticContact CG-CE1 3.94Å; F31-Y105 HydrophobicContact CG-CE1 3.94Å; F31-Y105 AromaticContact CG-CE2 3.66Å; F31-Y105 HydrophobicContact CG-CE2 3.66Å; F31-Y105 HydrophobicContact CG-CG 4.34Å; F31-Y105 AromaticContact CG-CZ 3.62Å; F31-Y105 HydrophobicContact CZ-CE1 4.5Å; F31-Y105 HydrophobicContact CZ-CE2 4.16Å; F31-Y105 AromaticContact CZ-CZ 3.68Å; F31-Y105 WeakPolarHBondContact CZ-OH 3.48Å | ||
| 32 | D | 36.9 | Very low | 49.4 | Very low | 68 Ų | 68 | 89.6 Ų | 89.6 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | trans | -67.5 | 104 | 164.4 | -171 | -11.4 | 0 | 0 | 0 | 107.9 | S34 I35 Y36 | D32-S34 PolarHBondContact O-N 3.5Å; D32-S34 VanDerWaalsContact O-N 3.09Å; D32-S34 VanDerWaalsContact OD1-CB 3.25Å; D32-S34 WeakPolarHBondContact OD1-CB 3.4Å; D32-S34 PolarHBondContact OD1-N 3.09Å; D32-S34 PolarHBondContact OD1-OG 2.98Å; D32-S34 PolarHBondContact OD2-OG 3.41Å; D32-I35 HydrophobicContact CB-CD1 3.75Å; D32-I35 HydrophobicContact CB-CG1 3.91Å; D32-I35 PolarHBondContact O-N 2.8Å; D32-I35 VanDerWaalsContact O-N 3.14Å; D32-Y36 WeakPolarHBondContact O-CD2 3.27Å | ||
| 33 | V | 44.1 | Very low | 52.3 | Low | 72 Ų | 72 | 83.3 Ų | 83.3 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.6 | 178.8 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | F31 I35 V106 | F31-V33 PolarHBondContact O-N 3.19Å; F31-V33 VanDerWaalsContact O-N 3.13Å; V33-I35 VanDerWaalsContact C-N 3.33Å; V33-I35 PolarHBondContact O-N 3.36Å; V33-V106 HydrophobicContact CG1-CG2 4.21Å |
| 34 | S | 41.8 | Very low | 55.3 | Low | 98 Ų | 98 | 78.2 Ų | 78.2 | 69% | 0.685 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -18.1 | 179.1 | 77.8 | 0 | 0 | 0 | 0 | 114.2 | D32 | D32-S34 PolarHBondContact O-N 3.5Å; D32-S34 VanDerWaalsContact O-N 3.09Å; D32-S34 VanDerWaalsContact OD1-CB 3.25Å; D32-S34 WeakPolarHBondContact OD1-CB 3.4Å; D32-S34 PolarHBondContact OD1-N 3.09Å; D32-S34 PolarHBondContact OD1-OG 2.98Å; D32-S34 PolarHBondContact OD2-OG 3.41Å |
| 35 | I | 48.9 | Very low | 58.3 | Low | 125 Ų | 125 | 73.4 Ų | 73.4 | 64% | 0.641 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -21.7 | -179.8 | -57.7 | 178.4 | 0 | 0 | 0 | 111.5 | D32 V33 | D32-I35 HydrophobicContact CB-CD1 3.75Å; D32-I35 HydrophobicContact CB-CG1 3.91Å; D32-I35 PolarHBondContact O-N 2.8Å; D32-I35 VanDerWaalsContact O-N 3.14Å; V33-I35 VanDerWaalsContact C-N 3.33Å; V33-I35 PolarHBondContact O-N 3.36Å |
| 36 | Y | 53.3 | Low | 61.3 | Low | 73 Ų | 73 | 74.7 Ų | 74.7 | 29% | 0.286 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -100.9 | 113.2 | -177.8 | -61.4 | -75.3 | 0 | 0 | 0 | 108.6 | F31 D32 R101 | F31-Y36 AromaticContact CD1-CE2 3.87Å; F31-Y36 HydrophobicContact CD1-CE2 3.87Å; D32-Y36 WeakPolarHBondContact O-CD2 3.27Å; Y36-R101 WeakPolarHBondContact CB-O 3.26Å; Y36-R101 HydrophobicContact CD1-CB 3.92Å; Y36-R101 VanDerWaalsContact CD1-O 3.24Å; Y36-R101 WeakPolarHBondContact CD1-O 3.43Å; Y36-R101 HydrophobicContact CE1-CB 4.04Å |
| 37 | G | 58 | Low | 64.1 | Low | 43 Ų | 43 | 72.8 Ų | 72.8 | 44% | 0.443 | 41% | 0.409 | S | S | . | . | trans | -49 | 159.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C39 | G37-C39 PolarHBondContact O-N 3.4Š| ||
| 38 | V | 74.2 | Confident | 67.1 | Low | 129 Ų | 129 | 71.4 Ų | 71.4 | 78% | 0.782 | 39% | 0.389 | S | S | * | . | trans | -56.2 | 120.2 | -175.2 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | T40 Q43 | V38-T40 PolarHBondContact O-N 2.9Å; V38-T40 VanDerWaalsContact O-N 3.07Å; V38-Q43 PolarHBondContact O-OE1 3.09Å | ||
| 39 | C | 85.2 | Confident | 69.9 | Low | 7 Ų | 7 | 74.4 Ų | 74.4 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | trans | -73.3 | 96.1 | 172.2 | -176 | 0 | 0 | 0 | 0 | 110.9 | G37 Q44 C103 V106 | G37-C39 PolarHBondContact O-N 3.4Å; C39-Q44 PolarHBondContact O-NE2 3.36Å; C39-Q44 WeakPolarHBondContact SG-CG 3.31Å; C39-C103 HydrophobicContact CB-CB 3.88Å; C39-C103 WeakPolarHBondContact CB-SG 3.45Å; C39-C103 VanDerWaalsContact SG-CA 3.56Å; C39-C103 WeakPolarHBondContact SG-CB 3.3Å; C39-C103 CovalentContact SG-SG 2.04Å; C39-C103 PolarHBondContact SG-SG 2.76Å; C39-V106 HydrophobicContact CB-CB 4.08Å; C39-V106 HydrophobicContact CB-CG1 4.08Å; C39-V106 HydrophobicContact CB-CG2 4.18Å | ||
| 40 | T | 89.3 | Confident | 72.7 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | trans | -66.3 | 155 | -176.9 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | V38 L42 Q43 Q44 | V38-T40 PolarHBondContact O-N 2.9Å; V38-T40 VanDerWaalsContact O-N 3.07Å; T40-L42 PolarHBondContact O-N 2.9Å; T40-L42 VanDerWaalsContact O-N 3.15Å; T40-Q43 WeakPolarHBondContact O-CB 3.35Å; T40-Q43 PolarHBondContact O-N 3.36Å; T40-Q43 VanDerWaalsContact OG1-CD 3.32Å; T40-Q43 VanDerWaalsContact OG1-CG 3.25Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.36Å; T40-Q43 PolarHBondContact OG1-N 2.92Å; T40-Q43 PolarHBondContact OG1-OE1 2.94Å; T40-Q44 WeakPolarHBondContact O-CG 3.36Å; T40-Q44 PolarHBondContact O-N 3.49Å | ||
| 41 | P | 88.7 | Confident | 75.3 | Confident | 106 Ų | 106 | 68.5 Ų | 68.5 | 69% | 0.688 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -54.4 | -34.4 | 175.7 | -27.7 | 35.6 | 0 | 0 | 0 | 114 | Q44 Q45 | P41-Q44 PolarHBondContact O-N 3.47Å; P41-Q45 WeakPolarHBondContact O-CB 3.46Å; P41-Q45 PolarHBondContact O-N 2.93Å |
| 42 | L | 91.2 | Very high | 77.7 | Confident | 131 Ų | 131 | 68.4 Ų | 68.4 | 69% | 0.686 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.4 | -43.4 | 176.6 | -175.3 | 66.5 | 0 | 0 | 0 | 111.7 | T40 Q45 Y46 | T40-L42 PolarHBondContact O-N 2.9Å; T40-L42 VanDerWaalsContact O-N 3.15Å; L42-Q45 PolarHBondContact O-N 2.94Å; L42-Y46 PolarHBondContact O-N 2.85Å |
| 43 | Q | 92 | Very high | 80.3 | Confident | 28 Ų | 28 | 68.7 Ų | 68.7 | 13% | 0.131 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 175.4 | -69.6 | 166.1 | -38.1 | 0 | 0 | 111.4 | V38 T40 Q45 Y46 I47 Y99 Q102 | V38-Q43 PolarHBondContact O-OE1 3.09Å; T40-Q43 WeakPolarHBondContact O-CB 3.35Å; T40-Q43 PolarHBondContact O-N 3.36Å; T40-Q43 VanDerWaalsContact OG1-CD 3.32Å; T40-Q43 VanDerWaalsContact OG1-CG 3.25Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.36Å; T40-Q43 PolarHBondContact OG1-N 2.92Å; T40-Q43 PolarHBondContact OG1-OE1 2.94Å; Q43-Q45 VanDerWaalsContact C-N 3.32Å; Q43-Q45 PolarHBondContact O-N 2.9Å; Q43-Y46 PolarHBondContact O-N 2.84Å; Q43-I47 WeakPolarHBondContact O-CG1 3.11Å; Q43-I47 PolarHBondContact O-N 3.28Å; Q43-Y99 HydrophobicContact CB-CD1 4.35Å; Q43-Y99 HydrophobicContact CB-CG 4.38Å; Q43-Y99 HydrophobicContact CG-CD1 3.7Å; Q43-Y99 HydrophobicContact CG-CE1 3.75Å; Q43-Y99 HydrophobicContact CG-CG 4.19Å; Q43-Q102 VanDerWaalsContact NE2-OE1 3.08Å |
| 44 | Q | 89.8 | Confident | 82.4 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 175 | -63.6 | -177.4 | 21.6 | 0 | 0 | 111.8 | C39 T40 P41 I47 R48 I109 | C39-Q44 PolarHBondContact O-NE2 3.36Å; C39-Q44 WeakPolarHBondContact SG-CG 3.31Å; T40-Q44 WeakPolarHBondContact O-CG 3.36Å; T40-Q44 PolarHBondContact O-N 3.49Å; P41-Q44 PolarHBondContact O-N 3.47Å; Q44-I47 PolarHBondContact O-N 3.45Å; Q44-R48 WeakPolarHBondContact O-CG 3.29Å; Q44-R48 PolarHBondContact O-N 3.48Å; Q44-I109 HydrophobicContact CB-CD1 3.99Å; Q44-I109 HydrophobicContact CB-CG1 4.12Å; Q44-I109 HydrophobicContact CG-CD1 4.22Å; Q44-I109 HydrophobicContact CG-CG1 3.77Å |
| 45 | Q | 91.9 | Very high | 84.5 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 176.4 | -175.8 | 176.9 | -5 | 0 | 0 | 111.8 | P41 L42 Q43 R48 Q49 | P41-Q45 WeakPolarHBondContact O-CB 3.46Å; P41-Q45 PolarHBondContact O-N 2.93Å; L42-Q45 PolarHBondContact O-N 2.94Å; Q43-Q45 VanDerWaalsContact C-N 3.32Å; Q43-Q45 PolarHBondContact O-N 2.9Å; Q45-R48 PolarHBondContact O-N 3.04Å; Q45-Q49 WeakPolarHBondContact O-CG 3.36Å; Q45-Q49 PolarHBondContact O-N 2.9Å |
| 46 | Y | 93.4 | Very high | 86.2 | Confident | 92 Ų | 92 | 64.7 Ų | 64.7 | 36% | 0.361 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 175.7 | -178.2 | -92.8 | 0 | 0 | 0 | 112 | L42 Q43 R48 Q49 C50 C95 Y99 | L42-Y46 PolarHBondContact O-N 2.85Å; Q43-Y46 PolarHBondContact O-N 2.84Å; Y46-R48 VanDerWaalsContact C-N 3.3Å; Y46-R48 PolarHBondContact O-N 2.68Å; Y46-Q49 WeakPolarHBondContact O-CB 3.36Å; Y46-Q49 PolarHBondContact O-N 2.7Å; Y46-Q49 VanDerWaalsContact O-N 3.08Å; Y46-C50 PolarHBondContact O-N 3.11Å; Y46-C50 PolarHBondContact O-SG 3.38Å; Y46-C95 WeakPolarHBondContact CE1-O 3.35Å; Y46-Y99 AromaticContact CD1-CD2 3.59Å; Y46-Y99 HydrophobicContact CD1-CD2 3.59Å; Y46-Y99 AromaticContact CD1-CE2 3.51Å; Y46-Y99 HydrophobicContact CD1-CE2 3.51Å; Y46-Y99 AromaticContact CE1-CD2 3.98Å; Y46-Y99 HydrophobicContact CE1-CD2 3.98Å; Y46-Y99 AromaticContact CE1-CE2 3.8Å; Y46-Y99 HydrophobicContact CE1-CE2 3.8Å; Y46-Y99 HydrophobicContact CG-CD2 4.43Å; Y46-Y99 HydrophobicContact CG-CE2 4.05Å |
| 47 | I | 92.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 176 | -68.5 | 169.6 | 0 | 0 | 0 | 111.1 | Q43 Q44 Q49 C50 A51 I96 C103 I109 L113 | Q43-I47 WeakPolarHBondContact O-CG1 3.11Å; Q43-I47 PolarHBondContact O-N 3.28Å; Q44-I47 PolarHBondContact O-N 3.45Å; I47-Q49 VanDerWaalsContact C-N 3.3Å; I47-Q49 PolarHBondContact O-N 3.44Å; I47-C50 WeakPolarHBondContact O-CB 3.26Å; I47-C50 PolarHBondContact O-N 3.17Å; I47-A51 PolarHBondContact O-N 3.29Å; I47-A51 VanDerWaalsContact O-N 3.12Å; I47-I96 HydrophobicContact CG1-CG2 4.32Å; I47-I96 HydrophobicContact CG2-CG2 4.07Å; I47-C103 HydrophobicContact CD1-CB 3.32Å; I47-C103 VanDerWaalsContact CD1-SG 3.59Å; I47-I109 HydrophobicContact CB-CD1 4.43Å; I47-I109 HydrophobicContact CD1-CG2 4.45Å; I47-I109 HydrophobicContact CG2-CD1 4.21Å; I47-I109 HydrophobicContact CG2-CG2 4.32Å; I47-L113 HydrophobicContact CG2-CD1 3.47Å; I47-L113 VanDerWaalsContact CG2-CD1 3.47Å |
| 48 | R | 91.2 | Very high | 88.5 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 28% | 0.275 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.2 | -33.5 | 175.6 | -72.5 | 178.9 | -176 | 116 | -5.8 | 112.8 | Q44 Q45 Y46 A51 I109 E112 | Q44-R48 WeakPolarHBondContact O-CG 3.29Å; Q44-R48 PolarHBondContact O-N 3.48Å; Q45-R48 PolarHBondContact O-N 3.04Å; Y46-R48 VanDerWaalsContact C-N 3.3Å; Y46-R48 PolarHBondContact O-N 2.68Å; R48-A51 PolarHBondContact O-N 3.25Å; R48-I109 HydrophobicContact CG-CD1 4.48Å; R48-E112 IonicContact CZ-OE1 3.69Å; R48-E112 IonicContact CZ-OE2 3.51Å; R48-E112 IonicContact NE-OE1 3.7Å; R48-E112 IonicContact NE-OE2 2.83Å; R48-E112 PolarHBondContact NE-OE2 3.02Å; R48-E112 IonicContact NH2-OE1 2.81Å; R48-E112 PolarHBondContact NH2-OE1 2.8Å; R48-E112 IonicContact NH2-OE2 3.34Å; R48-E112 PolarHBondContact NH2-OE2 3.04Å |
| 49 | Q | 93.7 | Very high | 88.6 | Confident | 114 Ų | 114 | 56.4 Ų | 56.4 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 173.6 | -71.2 | 171.5 | -8.7 | 0 | 0 | 111.5 | Q45 Y46 I47 A51 V52 | Q45-Q49 WeakPolarHBondContact O-CG 3.36Å; Q45-Q49 PolarHBondContact O-N 2.9Å; Y46-Q49 WeakPolarHBondContact O-CB 3.36Å; Y46-Q49 PolarHBondContact O-N 2.7Å; Y46-Q49 VanDerWaalsContact O-N 3.08Å; I47-Q49 VanDerWaalsContact C-N 3.3Å; I47-Q49 PolarHBondContact O-N 3.44Å; Q49-A51 PolarHBondContact O-N 3.37Å; Q49-V52 WeakPolarHBondContact O-CG2 3.42Å; Q49-V52 PolarHBondContact O-N 3.17Å |
| 50 | C | 94.4 | Very high | 88.2 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 11% | 0.108 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.4 | -34.1 | 172.6 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | Y46 I47 V52 F92 C95 I96 | Y46-C50 PolarHBondContact O-N 3.11Å; Y46-C50 PolarHBondContact O-SG 3.38Å; I47-C50 WeakPolarHBondContact O-CB 3.26Å; I47-C50 PolarHBondContact O-N 3.17Å; C50-V52 VanDerWaalsContact C-N 3.34Å; C50-V52 PolarHBondContact O-N 3.24Å; C50-F92 HydrophobicContact CB-CD2 3.83Å; C50-F92 HydrophobicContact CB-CE2 4.13Å; C50-C95 HydrophobicContact CB-CB 3.58Å; C50-C95 WeakPolarHBondContact CB-SG 3.41Å; C50-C95 WeakPolarHBondContact SG-CB 3.11Å; C50-C95 CovalentContact SG-SG 2.03Å; C50-C95 PolarHBondContact SG-SG 2.99Å; C50-I96 HydrophobicContact CB-CG2 3.84Å |
| 51 | A | 91.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -7.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I47 R48 Q49 E53 L54 K55 F60 F92 L113 | I47-A51 PolarHBondContact O-N 3.29Å; I47-A51 VanDerWaalsContact O-N 3.12Å; R48-A51 PolarHBondContact O-N 3.25Å; Q49-A51 PolarHBondContact O-N 3.37Å; A51-E53 PolarHBondContact O-N 2.93Å; A51-L54 PolarHBondContact O-N 3.28Å; A51-L54 VanDerWaalsContact O-N 3.16Å; A51-K55 WeakPolarHBondContact O-CG 3.23Å; A51-K55 PolarHBondContact O-N 3.37Å; A51-F60 HydrophobicContact CB-CD2 3.79Å; A51-F60 HydrophobicContact CB-CE2 3.97Å; A51-F92 HydrophobicContact CB-CD2 4.23Å; A51-F92 HydrophobicContact CB-CE2 3.87Å; A51-L113 HydrophobicContact CB-CD1 4.15Å; A51-L113 HydrophobicContact CB-CD2 3.8Å |
| 52 | V | 91.1 | Very high | 85.2 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.2 | -46.3 | -170.9 | 169.9 | 0 | 0 | 0 | 0 | 112.5 | Q49 C50 L54 K55 Q56 | Q49-V52 WeakPolarHBondContact O-CG2 3.42Å; Q49-V52 PolarHBondContact O-N 3.17Å; C50-V52 VanDerWaalsContact C-N 3.34Å; C50-V52 PolarHBondContact O-N 3.24Å; V52-L54 VanDerWaalsContact C-N 3.35Å; V52-L54 PolarHBondContact O-N 2.86Å; V52-K55 PolarHBondContact O-N 2.86Å; V52-Q56 HydrophobicContact CG1-CG 4.42Å; V52-Q56 WeakPolarHBondContact O-CG 3Å; V52-Q56 PolarHBondContact O-N 3.36Å |
| 53 | E | 90.5 | Very high | 83.2 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | -179.3 | -174.6 | 176.6 | -164.4 | 0 | 0 | 111.7 | A51 Q56 L57 A88 R91 | A51-E53 PolarHBondContact O-N 2.93Å; E53-Q56 PolarHBondContact O-N 2.98Å; E53-L57 HydrophobicContact CG-CD1 4.34Å; E53-L57 WeakPolarHBondContact O-CB 3.14Å; E53-L57 WeakPolarHBondContact O-CG 3.04Å; E53-L57 PolarHBondContact O-N 3.09Å; E53-A88 HydrophobicContact CG-CB 3.81Å; E53-R91 IonicContact OE1-CZ 2.7Å; E53-R91 IonicContact OE1-NE 3.18Å; E53-R91 IonicContact OE1-NH2 3.26Å; E53-R91 PolarHBondContact OE1-NH2 3.39Å; E53-R91 IonicContact OE2-CZ 2.9Å; E53-R91 IonicContact OE2-NE 2.95Å; E53-R91 PolarHBondContact OE2-NE 2.91Å; E53-R91 IonicContact OE2-NH2 2.71Å; E53-R91 PolarHBondContact OE2-NH2 3.13Å |
| 54 | L | 88.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.8 | -32.9 | 178.1 | -73.8 | 168.4 | 0 | 0 | 0 | 112.6 | A51 V52 L57 G58 A59 F60 M85 A88 Y89 F92 L120 | A51-L54 PolarHBondContact O-N 3.28Å; A51-L54 VanDerWaalsContact O-N 3.16Å; V52-L54 VanDerWaalsContact C-N 3.35Å; V52-L54 PolarHBondContact O-N 2.86Å; L54-L57 PolarHBondContact O-N 3.3Å; L54-G58 PolarHBondContact O-N 2.87Å; L54-A59 HydrophobicContact CB-CB 4.27Å; L54-A59 HydrophobicContact CD2-CB 3.87Å; L54-A59 PolarHBondContact O-N 3.33Å; L54-F60 HydrophobicContact CB-CD2 3.38Å; L54-F60 HydrophobicContact CB-CE2 3.61Å; L54-F60 HydrophobicContact CB-CG 4.03Å; L54-F60 HydrophobicContact CB-CZ 4.34Å; L54-F60 HydrophobicContact CD1-CD2 3.91Å; L54-F60 HydrophobicContact CD1-CE1 4.33Å; L54-F60 HydrophobicContact CD1-CE2 3.17Å; L54-F60 HydrophobicContact CD1-CZ 3.43Å; L54-F60 VanDerWaalsContact CD1-CZ 3.43Å; L54-F60 HydrophobicContact CG-CD2 4.32Å; L54-F60 HydrophobicContact CG-CE2 4.05Å; L54-F60 HydrophobicContact CG-CZ 4.49Å; L54-F60 PolarHBondContact O-N 3.4Å; L54-M85 HydrophobicContact CD2-CG 4.2Å; L54-A88 HydrophobicContact CD2-CB 3.85Å; L54-A88 HydrophobicContact CG-CB 4.25Å; L54-Y89 HydrophobicContact CD1-CD2 3.9Å; L54-F92 HydrophobicContact CD1-CB 3.46Å; L54-F92 VanDerWaalsContact CD1-CB 3.46Å; L54-F92 HydrophobicContact CD1-CD1 3.83Å; L54-F92 HydrophobicContact CD1-CD2 4.19Å; L54-F92 HydrophobicContact CD1-CG 3.55Å; L54-F92 HydrophobicContact CG-CB 4.49Å; L54-L120 HydrophobicContact CD2-CD1 4.35Å |
| 55 | K | 86.2 | Confident | 78.4 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 170.9 | -73.9 | -171.8 | 174.8 | -160.4 | 0 | 111.7 | A51 V52 L57 G58 F60 G61 | A51-K55 WeakPolarHBondContact O-CG 3.23Å; A51-K55 PolarHBondContact O-N 3.37Å; V52-K55 PolarHBondContact O-N 2.86Å; K55-L57 VanDerWaalsContact C-N 3.26Å; K55-L57 PolarHBondContact O-N 3.42Å; K55-G58 WeakPolarHBondContact O-CA 3.37Å; K55-G58 PolarHBondContact O-N 3.27Å; K55-F60 HydrophobicContact CG-CB 3.78Å; K55-G61 WeakPolarHBondContact CE-O 3.37Å |
| 56 | Q | 85.8 | Confident | 76 | Confident | 156 Ų | 156 | 54.7 Ų | 54.7 | 73% | 0.729 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.9 | -36.2 | 176.1 | -73.8 | 173.6 | -7.1 | 0 | 0 | 112.3 | V52 E53 G58 | V52-Q56 HydrophobicContact CG1-CG 4.42Å; V52-Q56 WeakPolarHBondContact O-CG 3Å; V52-Q56 PolarHBondContact O-N 3.36Å; E53-Q56 PolarHBondContact O-N 2.98Å; Q56-G58 VanDerWaalsContact C-N 3.28Å |
| 57 | L | 81.6 | Confident | 73.6 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -32.3 | 171.9 | -76.5 | 174.5 | 0 | 0 | 0 | 110.8 | E53 L54 K55 H73 Y81 A88 | E53-L57 HydrophobicContact CG-CD1 4.34Å; E53-L57 WeakPolarHBondContact O-CB 3.14Å; E53-L57 WeakPolarHBondContact O-CG 3.04Å; E53-L57 PolarHBondContact O-N 3.09Å; L54-L57 PolarHBondContact O-N 3.3Å; K55-L57 VanDerWaalsContact C-N 3.26Å; K55-L57 PolarHBondContact O-N 3.42Å; L57-H73 PolarHBondContact O-CE1 2.91Å; L57-H73 PolarHBondContact O-NE2 2.85Å; L57-Y81 WeakPolarHBondContact CA-OH 3.12Å; L57-Y81 VanDerWaalsContact CB-OH 3.22Å; L57-Y81 WeakPolarHBondContact CB-OH 3Å; L57-Y81 HydrophobicContact CD2-CE2 3.84Å; L57-Y81 PolarHBondContact O-OH 3.27Å; L57-A88 HydrophobicContact CD1-CB 3.61Å |
| 58 | G | 77.5 | Confident | 71.3 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 34% | 0.34 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | 9.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L54 K55 Q56 F60 H73 | L54-G58 PolarHBondContact O-N 2.87Å; K55-G58 WeakPolarHBondContact O-CA 3.37Å; K55-G58 PolarHBondContact O-N 3.27Å; Q56-G58 VanDerWaalsContact C-N 3.28Å; G58-F60 VanDerWaalsContact C-N 3.31Å; G58-H73 PolarHBondContact O-CD2 3.4Å |
| 59 | A | 76.1 | Confident | 69.3 | Low | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -72.9 | -28 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L54 M85 L120 | L54-A59 HydrophobicContact CB-CB 4.27Å; L54-A59 HydrophobicContact CD2-CB 3.87Å; L54-A59 PolarHBondContact O-N 3.33Å; A59-M85 HydrophobicContact CB-CG 3.83Å; A59-M85 HydrophobicContact CB-SD 3.65Å; A59-L120 HydrophobicContact CB-CD1 4.15Å |
| 60 | F | 76.9 | Confident | 67.4 | Low | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.022 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -114.5 | 139.7 | 170.9 | -64 | -29.4 | 0 | 0 | 0 | 110.1 | A51 L54 K55 G58 F92 L113 L120 | A51-F60 HydrophobicContact CB-CD2 3.79Å; A51-F60 HydrophobicContact CB-CE2 3.97Å; L54-F60 HydrophobicContact CB-CD2 3.38Å; L54-F60 HydrophobicContact CB-CE2 3.61Å; L54-F60 HydrophobicContact CB-CG 4.03Å; L54-F60 HydrophobicContact CB-CZ 4.34Å; L54-F60 HydrophobicContact CD1-CD2 3.91Å; L54-F60 HydrophobicContact CD1-CE1 4.33Å; L54-F60 HydrophobicContact CD1-CE2 3.17Å; L54-F60 HydrophobicContact CD1-CZ 3.43Å; L54-F60 VanDerWaalsContact CD1-CZ 3.43Å; L54-F60 HydrophobicContact CG-CD2 4.32Å; L54-F60 HydrophobicContact CG-CE2 4.05Å; L54-F60 HydrophobicContact CG-CZ 4.49Å; L54-F60 PolarHBondContact O-N 3.4Å; K55-F60 HydrophobicContact CG-CB 3.78Å; G58-F60 VanDerWaalsContact C-N 3.31Å; F60-F92 HydrophobicContact CE2-CD1 4.16Å; F60-F92 HydrophobicContact CE2-CD2 4.08Å; F60-F92 AromaticContact CE2-CE1 3.94Å; F60-F92 HydrophobicContact CE2-CE1 3.94Å; F60-F92 AromaticContact CE2-CE2 3.86Å; F60-F92 HydrophobicContact CE2-CE2 3.86Å; F60-F92 HydrophobicContact CE2-CG 4.21Å; F60-F92 AromaticContact CE2-CZ 3.78Å; F60-F92 HydrophobicContact CE2-CZ 3.78Å; F60-F92 AromaticContact CZ-CD1 3.98Å; F60-F92 HydrophobicContact CZ-CD1 3.98Å; F60-F92 AromaticContact CZ-CE1 3.65Å; F60-F92 HydrophobicContact CZ-CE1 3.65Å; F60-F92 HydrophobicContact CZ-CE2 4.4Å; F60-F92 HydrophobicContact CZ-CG 4.48Å; F60-F92 AromaticContact CZ-CZ 3.87Å; F60-F92 HydrophobicContact CZ-CZ 3.87Å; F60-L113 HydrophobicContact CB-CD2 4.09Å; F60-L113 HydrophobicContact CD1-CD2 4.4Å; F60-L113 HydrophobicContact CD2-CD2 3.52Å; F60-L113 HydrophobicContact CE2-CD2 3.9Å; F60-L113 HydrophobicContact CG-CD2 3.78Å; F60-L120 HydrophobicContact CE1-CD1 3.88Å; F60-L120 HydrophobicContact CZ-CD1 4.38Å |
| 61 | G | 61.8 | Low | 65.7 | Low | 10 Ų | 10 | 47.2 Ų | 47.2 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | trans | -60.7 | 152.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K55 T63 T66 | K55-G61 WeakPolarHBondContact CE-O 3.37Å; G61-T63 PolarHBondContact O-N 3.12Å; G61-T66 VanDerWaalsContact C-OG1 3.24Å; G61-T66 WeakPolarHBondContact CA-OG1 3.34Å | ||
| 62 | E | 52.7 | Low | 64.3 | Low | 169 Ų | 169 | 50.5 Ų | 50.5 | 79% | 0.79 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -65.8 | -26.7 | 169.4 | -66.1 | -168 | 160.7 | 0 | 0 | 111.7 | T66 | E62-T66 PolarHBondContact N-OG1 2.69Š|
| 63 | T | 48.3 | Very low | 62.9 | Low | 53 Ų | 53 | 49.6 Ų | 49.6 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -131 | 157.8 | -174.5 | 57.8 | 0 | 0 | 0 | 0 | 110 | G61 T65 T66 | G61-T63 PolarHBondContact O-N 3.12Å; T63-T65 WeakPolarHBondContact CB-OG1 3.3Å; T63-T65 PolarHBondContact O-N 3.47Å; T63-T65 PolarHBondContact OG1-N 2.8Å; T63-T65 PolarHBondContact OG1-OG1 3.46Å; T63-T66 PolarHBondContact N-OG1 3.39Å; T63-T66 PolarHBondContact O-N 3.4Å; T63-T66 PolarHBondContact O-OG1 3.28Å; T63-T66 WeakPolarHBondContact OG1-CG2 3.34Å; T63-T66 PolarHBondContact OG1-N 3.23Å; T63-T66 PolarHBondContact OG1-OG1 3.18Å |
| 64 | P | 42.6 | Very low | 61.6 | Low | 61 Ų | 61 | 46.4 Ų | 46.4 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -15.7 | 168.7 | 4.1 | -3.6 | 0 | 0 | 0 | 112.8 | T67 E112 | P64-T67 PolarHBondContact O-OG1 3.47Å; P64-E112 HydrophobicContact CB-CG 3.62Å; P64-E112 HydrophobicContact CG-CG 3.49Å; P64-E112 VanDerWaalsContact CG-CG 3.49Å |
| 65 | T | 39.4 | Very low | 60.6 | Low | 66 Ų | 66 | 47.9 Ų | 47.9 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -12.9 | 178.6 | 78.9 | 0 | 0 | 0 | 0 | 113.4 | T9 T63 | T9-T65 HydrophobicContact CG2-CG2 3.15Å; T63-T65 WeakPolarHBondContact CB-OG1 3.3Å; T63-T65 PolarHBondContact O-N 3.47Å; T63-T65 PolarHBondContact OG1-N 2.8Å; T63-T65 PolarHBondContact OG1-OG1 3.46Å |
| 66 | T | 40.6 | Very low | 59.6 | Low | 66 Ų | 66 | 54.9 Ų | 54.9 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -110.3 | 6.3 | -177.8 | 43.1 | 0 | 0 | 0 | 0 | 112.5 | G61 E62 T63 A68 | G61-T66 VanDerWaalsContact C-OG1 3.24Å; G61-T66 WeakPolarHBondContact CA-OG1 3.34Å; E62-T66 PolarHBondContact N-OG1 2.69Å; T63-T66 PolarHBondContact N-OG1 3.39Å; T63-T66 PolarHBondContact O-N 3.4Å; T63-T66 PolarHBondContact O-OG1 3.28Å; T63-T66 WeakPolarHBondContact OG1-CG2 3.34Å; T63-T66 PolarHBondContact OG1-N 3.23Å; T63-T66 PolarHBondContact OG1-OG1 3.18Å; T66-A68 PolarHBondContact O-N 3.04Å |
| 67 | T | 44.2 | Very low | 58.9 | Low | 17 Ų | 17 | 48.2 Ų | 48.2 | 10% | 0.104 | 26% | 0.261 | C | S | . | . | trans | -69 | 16.6 | 171.1 | -26 | 0 | 0 | 0 | 0 | 113 | P64 L69 G111 V115 S116 | P64-T67 PolarHBondContact O-OG1 3.47Å; T67-L69 PolarHBondContact O-N 3.36Å; T67-G111 VanDerWaalsContact CB-O 3.3Å; T67-G111 WeakPolarHBondContact CB-O 3.37Å; T67-G111 WeakPolarHBondContact CG2-O 3.4Å; T67-G111 PolarHBondContact OG1-O 2.89Å; T67-V115 HydrophobicContact CG2-CB 4.41Å; T67-S116 WeakPolarHBondContact CG2-OG 3.47Å | ||
| 68 | A | 42.8 | Very low | 58.8 | Low | 49 Ų | 49 | 49.4 Ų | 49.4 | 41% | 0.405 | 27% | 0.271 | S | S | . | . | trans | -60.6 | 105 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | T66 | T66-A68 PolarHBondContact O-N 3.04Š| ||
| 69 | L | 50.4 | Low | 59 | Low | 47 Ų | 47 | 51.3 Ų | 51.3 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | trans | 29.2 | 100.9 | 160.3 | -78.5 | 152.3 | 0 | 0 | 0 | 113.6 | T67 W71 D72 M171 | T67-L69 PolarHBondContact O-N 3.36Å; L69-W71 HydrophobicContact CB-CB 4.48Å; L69-W71 PolarHBondContact O-N 3.44Å; L69-D72 PolarHBondContact O-N 3.12Å; L69-M171 HydrophobicContact CD1-CE 3.67Å | ||
| 70 | I | 54.3 | Low | 59.3 | Low | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -31.3 | -35.1 | 168.6 | -75.8 | 157.6 | 0 | 0 | 0 | 113.1 | D72 H73 L74 S116 A119 L120 | I70-D72 VanDerWaalsContact C-N 3.33Å; I70-D72 PolarHBondContact O-N 3.5Å; I70-H73 CarbonylContact O-C 3.27Å; I70-H73 WeakPolarHBondContact O-CA 3.25Å; I70-H73 WeakPolarHBondContact O-CB 3.31Å; I70-H73 PolarHBondContact O-N 2.04Å; I70-L74 HydrophobicContact CG2-CD1 3.53Å; I70-L74 HydrophobicContact CG2-CD2 3.65Å; I70-L74 HydrophobicContact CG2-CG 3.42Å; I70-L74 VanDerWaalsContact CG2-CG 3.42Å; I70-L74 WeakPolarHBondContact O-CG 3.49Å; I70-L74 PolarHBondContact O-N 3.33Å; I70-S116 WeakPolarHBondContact CD1-O 3.37Å; I70-A119 HydrophobicContact CD1-CB 3.53Å; I70-L120 HydrophobicContact CD1-CD1 4.39Å; I70-L120 HydrophobicContact CD1-CD2 4.11Å; I70-L120 HydrophobicContact CD1-CG 3.72Å; I70-L120 HydrophobicContact CG2-CD2 4.44Å |
| 71 | W | 58.7 | Low | 59.6 | Low | 12 Ų | 12 | 58.6 Ų | 58.6 | 5% | 0.045 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -45.5 | -41 | 172.7 | -52.7 | 120.5 | 0 | 0 | 0 | 116.7 | L69 H73 L74 R75 M148 L159 V222 A225 | L69-W71 HydrophobicContact CB-CB 4.48Å; L69-W71 PolarHBondContact O-N 3.44Å; W71-H73 VanDerWaalsContact C-N 3.27Å; W71-H73 PolarHBondContact O-N 3.19Å; W71-L74 HydrophobicContact CD2-CD1 4.41Å; W71-L74 HydrophobicContact CE3-CD1 3.65Å; W71-L74 HydrophobicContact CZ3-CD1 3.84Å; W71-L74 PolarHBondContact O-N 2.72Å; W71-R75 WeakPolarHBondContact O-CB 3.05Å; W71-R75 WeakPolarHBondContact O-CG 3.02Å; W71-R75 PolarHBondContact O-N 3.46Å; W71-R75 PolarHBondContact O-NE 3.04Å; W71-M148 HydrophobicContact CH2-CE 4.22Å; W71-M148 HydrophobicContact CZ3-CE 4.12Å; W71-L159 HydrophobicContact CE3-CD1 3.92Å; W71-V222 HydrophobicContact CH2-CB 4.29Å; W71-V222 HydrophobicContact CH2-CG1 3.95Å; W71-V222 HydrophobicContact CH2-CG2 4.02Å; W71-V222 HydrophobicContact CZ2-CG1 4.07Å; W71-V222 HydrophobicContact CZ3-CG2 4.35Å; W71-A225 HydrophobicContact CH2-CB 4.24Å; W71-A225 HydrophobicContact CZ2-CB 4.03Å |
| 72 | D | 60.1 | Low | 60.4 | Low | 70 Ų | 70 | 58.1 Ų | 58.1 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 178.6 | -115.1 | 15.8 | 0 | 0 | 0 | 111.5 | L69 I70 R75 | L69-D72 PolarHBondContact O-N 3.12Å; I70-D72 VanDerWaalsContact C-N 3.33Å; I70-D72 PolarHBondContact O-N 3.5Å; D72-R75 IonicContact OD1-CZ 2.63Å; D72-R75 VanDerWaalsContact OD1-CZ 3.23Å; D72-R75 IonicContact OD1-NE 3.96Å; D72-R75 IonicContact OD1-NH2 3.73Å; D72-R75 PolarHBondContact OD1-NH2 3.21Å |
| 73 | H | 62.9 | Low | 61.8 | Low | 49 Ų | 49 | 52.6 Ų | 52.6 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -77.6 | -44 | 176.1 | -164.3 | 57.4 | 0 | 0 | 0 | 111.5 | L57 G58 I70 W71 R75 R76 T77 Y81 | L57-H73 PolarHBondContact O-CE1 2.91Å; L57-H73 PolarHBondContact O-NE2 2.85Å; G58-H73 PolarHBondContact O-CD2 3.4Å; I70-H73 CarbonylContact O-C 3.27Å; I70-H73 WeakPolarHBondContact O-CA 3.25Å; I70-H73 WeakPolarHBondContact O-CB 3.31Å; I70-H73 PolarHBondContact O-N 2.04Å; W71-H73 VanDerWaalsContact C-N 3.27Å; W71-H73 PolarHBondContact O-N 3.19Å; H73-R75 PolarHBondContact O-N 3.33Å; H73-R76 PolarHBondContact O-N 3.01Å; H73-T77 WeakPolarHBondContact O-CG2 3.48Å; H73-Y81 AromaticContact CD2-CE1 3.98Å; H73-Y81 AromaticContact NE2-CE1 3.63Å; H73-Y81 AromaticContact NE2-CZ 3.31Å; H73-Y81 VanDerWaalsContact NE2-CZ 3.31Å; H73-Y81 PolarHBondContact NE2-OH 3.34Å |
| 74 | L | 63.2 | Low | 63.6 | Low | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.2 | -43.6 | 176.4 | -63.9 | -179.8 | 0 | 0 | 0 | 110.8 | I70 W71 R76 T77 F82 M85 W152 I156 | I70-L74 HydrophobicContact CG2-CD1 3.53Å; I70-L74 HydrophobicContact CG2-CD2 3.65Å; I70-L74 HydrophobicContact CG2-CG 3.42Å; I70-L74 VanDerWaalsContact CG2-CG 3.42Å; I70-L74 WeakPolarHBondContact O-CG 3.49Å; I70-L74 PolarHBondContact O-N 3.33Å; W71-L74 HydrophobicContact CD2-CD1 4.41Å; W71-L74 HydrophobicContact CE3-CD1 3.65Å; W71-L74 HydrophobicContact CZ3-CD1 3.84Å; W71-L74 PolarHBondContact O-N 2.72Å; L74-R76 PolarHBondContact O-N 2.99Å; L74-T77 WeakPolarHBondContact CA-OG1 3.48Å; L74-T77 PolarHBondContact O-N 3.5Å; L74-T77 PolarHBondContact O-OG1 3.14Å; L74-F82 HydrophobicContact CD2-CD2 3.9Å; L74-F82 HydrophobicContact CD2-CE2 4.24Å; L74-M85 HydrophobicContact CD2-CE 3.57Å; L74-M85 HydrophobicContact CD2-SD 4.31Å; L74-W152 HydrophobicContact CB-CH2 3.85Å; L74-W152 HydrophobicContact CD1-CH2 4.43Å; L74-W152 HydrophobicContact CD1-CZ3 4.46Å; L74-W152 HydrophobicContact CD2-CH2 3.54Å; L74-W152 HydrophobicContact CD2-CZ3 4.11Å; L74-W152 HydrophobicContact CG-CH2 4.07Å; L74-I156 WeakPolarHBondContact O-CD1 3.38Å |
| 75 | R | 65.8 | Low | 65.6 | Low | 33 Ų | 33 | 52.3 Ų | 52.3 | 13% | 0.125 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -28.2 | 176.9 | -91.9 | -176.7 | -90.4 | -155.4 | 0.5 | 115.2 | W71 D72 H73 L159 E168 | W71-R75 WeakPolarHBondContact O-CB 3.05Å; W71-R75 WeakPolarHBondContact O-CG 3.02Å; W71-R75 PolarHBondContact O-N 3.46Å; W71-R75 PolarHBondContact O-NE 3.04Å; D72-R75 IonicContact OD1-CZ 2.63Å; D72-R75 VanDerWaalsContact OD1-CZ 3.23Å; D72-R75 IonicContact OD1-NE 3.96Å; D72-R75 IonicContact OD1-NH2 3.73Å; D72-R75 PolarHBondContact OD1-NH2 3.21Å; H73-R75 PolarHBondContact O-N 3.33Å; R75-L159 WeakPolarHBondContact CD-O 3.49Å; R75-L159 HydrophobicContact CG-CB 3.45Å; R75-L159 VanDerWaalsContact CG-CB 3.45Å; R75-L159 HydrophobicContact CG-CD1 4.16Å; R75-L159 HydrophobicContact CG-CG 4.42Å; R75-L159 PolarHBondContact NH1-O 2.9Å; R75-E168 IonicContact CZ-OE1 2.63Å; R75-E168 IonicContact CZ-OE2 3.33Å; R75-E168 VanDerWaalsContact CZ-OE2 3.26Å; R75-E168 VanDerWaalsContact NH1-CD 3.29Å; R75-E168 IonicContact NH1-OE1 3.02Å; R75-E168 PolarHBondContact NH1-OE1 2.71Å; R75-E168 IonicContact NH1-OE2 2.61Å; R75-E168 PolarHBondContact NH1-OE2 3.18Å; R75-E168 IonicContact NH2-OE1 2.83Å; R75-E168 PolarHBondContact NH2-OE1 2.95Å; R75-E168 IonicContact NH2-OE2 3.6Å; R75-E168 PolarHBondContact NH2-OE2 2.61Å |
| 76 | R | 65.7 | Low | 67.7 | Low | 201 Ų | 201 | 49.6 Ų | 49.6 | 76% | 0.758 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 4.9 | -173.4 | -58.9 | -178.6 | -168.7 | -175.1 | 4.9 | 112.8 | H73 L74 | H73-R76 PolarHBondContact O-N 3.01Å; L74-R76 PolarHBondContact O-N 2.99Å |
| 77 | T | 70.8 | Confident | 69.9 | Low | 16 Ų | 16 | 49.5 Ų | 49.5 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | trans | -118.3 | 145 | -165.8 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | H73 L74 Y81 W152 | H73-T77 WeakPolarHBondContact O-CG2 3.48Å; L74-T77 WeakPolarHBondContact CA-OG1 3.48Å; L74-T77 PolarHBondContact O-N 3.5Å; L74-T77 PolarHBondContact O-OG1 3.14Å; T77-Y81 HydrophobicContact CG2-CD1 3.16Å; T77-Y81 HydrophobicContact CG2-CD2 4.18Å; T77-Y81 HydrophobicContact CG2-CE1 3.29Å; T77-Y81 HydrophobicContact CG2-CE2 4.28Å; T77-Y81 HydrophobicContact CG2-CG 3.65Å; T77-W152 PolarHBondContact O-NE1 3.44Å; T77-W152 WeakPolarHBondContact OG1-CZ2 3.28Å | ||
| 78 | S | 81 | Confident | 72.1 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | trans | -76.5 | 167.1 | 175.8 | 82.4 | 0 | 0 | 0 | 0 | 111.3 | E80 Y81 F82 | S78-E80 WeakPolarHBondContact CB-OE2 3.24Å; S78-E80 PolarHBondContact O-N 3.12Å; S78-E80 PolarHBondContact OG-N 2.73Å; S78-E80 PolarHBondContact OG-OE2 3.33Å; S78-Y81 WeakPolarHBondContact O-CB 3.45Å; S78-Y81 PolarHBondContact O-N 2.94Å; S78-Y81 VanDerWaalsContact O-N 3.13Å; S78-Y81 PolarHBondContact OG-N 2.97Å; S78-F82 PolarHBondContact O-N 3.28Å | ||
| 79 | K | 80.1 | Confident | 74.3 | Confident | 73 Ų | 73 | 46.4 Ų | 46.4 | 32% | 0.317 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.9 | -39 | 173.5 | -171.8 | 175.4 | -178.2 | 166.9 | 0 | 111.7 | Y81 F82 V83 L149 W152 | K79-Y81 VanDerWaalsContact C-N 3.31Å; K79-Y81 PolarHBondContact O-N 3.41Å; K79-F82 WeakPolarHBondContact O-CB 3.41Å; K79-F82 PolarHBondContact O-N 2.74Å; K79-V83 WeakPolarHBondContact O-CG2 3.44Å; K79-V83 PolarHBondContact O-N 3.29Å; K79-L149 HydrophobicContact CD-CD2 4.39Å; K79-L149 WeakPolarHBondContact CE-O 3.33Å; K79-L149 HydrophobicContact CG-CD2 3.71Å; K79-L149 PolarHBondContact NZ-O 3.12Å; K79-W152 HydrophobicContact CB-CG 4.41Å |
| 80 | E | 82.6 | Confident | 76.1 | Confident | 120 Ų | 120 | 50.1 Ų | 50.1 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.7 | -39.7 | 176.5 | -59.9 | 67.8 | -144.2 | 0 | 0 | 111 | S78 V83 Q84 | S78-E80 WeakPolarHBondContact CB-OE2 3.24Å; S78-E80 PolarHBondContact O-N 3.12Å; S78-E80 PolarHBondContact OG-N 2.73Å; S78-E80 PolarHBondContact OG-OE2 3.33Å; E80-V83 PolarHBondContact O-N 2.95Å; E80-Q84 WeakPolarHBondContact O-CG 3.5Å; E80-Q84 PolarHBondContact O-N 3.29Å |
| 81 | Y | 82.8 | Confident | 77.8 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 174.6 | 179.2 | -77.7 | 0 | 0 | 0 | 111.2 | L57 H73 T77 S78 K79 V83 Q84 M85 | L57-Y81 WeakPolarHBondContact CA-OH 3.12Å; L57-Y81 VanDerWaalsContact CB-OH 3.22Å; L57-Y81 WeakPolarHBondContact CB-OH 3Å; L57-Y81 HydrophobicContact CD2-CE2 3.84Å; L57-Y81 PolarHBondContact O-OH 3.27Å; H73-Y81 AromaticContact CD2-CE1 3.98Å; H73-Y81 AromaticContact NE2-CE1 3.63Å; H73-Y81 AromaticContact NE2-CZ 3.31Å; H73-Y81 VanDerWaalsContact NE2-CZ 3.31Å; H73-Y81 PolarHBondContact NE2-OH 3.34Å; T77-Y81 HydrophobicContact CG2-CD1 3.16Å; T77-Y81 HydrophobicContact CG2-CD2 4.18Å; T77-Y81 HydrophobicContact CG2-CE1 3.29Å; T77-Y81 HydrophobicContact CG2-CE2 4.28Å; T77-Y81 HydrophobicContact CG2-CG 3.65Å; S78-Y81 WeakPolarHBondContact O-CB 3.45Å; S78-Y81 PolarHBondContact O-N 2.94Å; S78-Y81 VanDerWaalsContact O-N 3.13Å; S78-Y81 PolarHBondContact OG-N 2.97Å; K79-Y81 VanDerWaalsContact C-N 3.31Å; K79-Y81 PolarHBondContact O-N 3.41Å; Y81-V83 VanDerWaalsContact C-N 3.3Å; Y81-V83 PolarHBondContact O-N 2.89Å; Y81-Q84 WeakPolarHBondContact O-CB 3.5Å; Y81-Q84 PolarHBondContact O-N 3.48Å; Y81-Q84 VanDerWaalsContact O-N 3.12Å; Y81-M85 HydrophobicContact CE1-CB 4.22Å; Y81-M85 HydrophobicContact CE1-SD 4.4Å; Y81-M85 WeakPolarHBondContact O-CB 3.4Å; Y81-M85 PolarHBondContact O-N 3.3Å |
| 82 | F | 79.8 | Confident | 79.4 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | 176.1 | -179.6 | -102.7 | 0 | 0 | 0 | 112 | L74 S78 K79 Q84 M85 C86 A123 F145 M148 L149 W152 | L74-F82 HydrophobicContact CD2-CD2 3.9Å; L74-F82 HydrophobicContact CD2-CE2 4.24Å; S78-F82 PolarHBondContact O-N 3.28Å; K79-F82 WeakPolarHBondContact O-CB 3.41Å; K79-F82 PolarHBondContact O-N 2.74Å; F82-Q84 PolarHBondContact O-N 3.44Å; F82-M85 HydrophobicContact CD2-CE 3.46Å; F82-M85 VanDerWaalsContact CD2-CE 3.46Å; F82-M85 HydrophobicContact CE2-CE 3.74Å; F82-M85 HydrophobicContact CG-CE 4.49Å; F82-M85 PolarHBondContact O-N 3.23Å; F82-C86 PolarHBondContact O-N 3.26Å; F82-A123 HydrophobicContact CE2-CB 4.2Å; F82-A123 HydrophobicContact CZ-CB 3.96Å; F82-F145 HydrophobicContact CD1-CE2 4.22Å; F82-F145 AromaticContact CE1-CD2 3.94Å; F82-F145 HydrophobicContact CE1-CD2 3.94Å; F82-F145 AromaticContact CE1-CE2 3.68Å; F82-F145 HydrophobicContact CE1-CE2 3.68Å; F82-M148 HydrophobicContact CE1-CB 4.47Å; F82-M148 HydrophobicContact CZ-CB 4.26Å; F82-L149 HydrophobicContact CD1-CD2 3.49Å; F82-L149 VanDerWaalsContact CD1-CD2 3.49Å; F82-L149 HydrophobicContact CD1-CG 4.12Å; F82-L149 HydrophobicContact CE1-CD2 3.97Å; F82-L149 HydrophobicContact CE1-CG 4.08Å; F82-W152 HydrophobicContact CB-CD2 4.41Å; F82-W152 HydrophobicContact CB-CE3 4.23Å; F82-W152 HydrophobicContact CB-CH2 3.62Å; F82-W152 HydrophobicContact CB-CZ2 3.8Å; F82-W152 HydrophobicContact CB-CZ3 3.86Å; F82-W152 HydrophobicContact CD1-CE3 4.24Å; F82-W152 HydrophobicContact CD1-CZ3 4.14Å; F82-W152 HydrophobicContact CD2-CE3 4.06Å; F82-W152 AromaticContact CD2-CH2 3.38Å; F82-W152 HydrophobicContact CD2-CH2 3.38Å; F82-W152 HydrophobicContact CD2-CZ2 4.39Å; F82-W152 AromaticContact CD2-CZ3 3.17Å; F82-W152 HydrophobicContact CD2-CZ3 3.17Å; F82-W152 HydrophobicContact CE2-CE3 4.49Å; F82-W152 HydrophobicContact CE2-CH2 4.24Å; F82-W152 AromaticContact CE2-CZ3 3.65Å; F82-W152 HydrophobicContact CE2-CZ3 3.65Å; F82-W152 AromaticContact CG-CE3 3.91Å; F82-W152 HydrophobicContact CG-CE3 3.91Å; F82-W152 AromaticContact CG-CH2 3.68Å; F82-W152 HydrophobicContact CG-CH2 3.68Å; F82-W152 HydrophobicContact CG-CZ2 4.32Å; F82-W152 AromaticContact CG-CZ3 3.44Å; F82-W152 HydrophobicContact CG-CZ3 3.44Å; F82-W152 VanDerWaalsContact CG-CZ3 3.44Å; F82-W152 HydrophobicContact CZ-CZ3 4.29Å |
| 83 | V | 82.5 | Confident | 80.9 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 173.8 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | K79 E80 Y81 C86 N87 F145 L149 | K79-V83 WeakPolarHBondContact O-CG2 3.44Å; K79-V83 PolarHBondContact O-N 3.29Å; E80-V83 PolarHBondContact O-N 2.95Å; Y81-V83 VanDerWaalsContact C-N 3.3Å; Y81-V83 PolarHBondContact O-N 2.89Å; V83-C86 PolarHBondContact O-N 2.84Å; V83-N87 PolarHBondContact O-N 2.82Å; V83-N87 PolarHBondContact O-ND2 3.42Å; V83-N87 VanDerWaalsContact O-ND2 3.13Å; V83-F145 HydrophobicContact CG2-CZ 4.4Å; V83-L149 HydrophobicContact CG2-CD2 4.06Å |
| 84 | Q | 85.2 | Confident | 82.2 | Confident | 108 Ų | 108 | 56.7 Ų | 56.7 | 51% | 0.505 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 176 | -71.1 | 174.4 | 40.5 | 0 | 0 | 111.7 | E80 Y81 F82 C86 N87 A88 | E80-Q84 WeakPolarHBondContact O-CG 3.5Å; E80-Q84 PolarHBondContact O-N 3.29Å; Y81-Q84 WeakPolarHBondContact O-CB 3.5Å; Y81-Q84 PolarHBondContact O-N 3.48Å; Y81-Q84 VanDerWaalsContact O-N 3.12Å; F82-Q84 PolarHBondContact O-N 3.44Å; Q84-C86 PolarHBondContact O-N 3.31Å; Q84-N87 WeakPolarHBondContact O-CB 3.39Å; Q84-N87 PolarHBondContact O-N 3.3Å; Q84-A88 PolarHBondContact O-N 3.04Å |
| 85 | M | 84.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.8 | -173.6 | -174.3 | 63 | 0 | 0 | 111.9 | L54 A59 L74 Y81 F82 N87 A88 Y89 L120 | L54-M85 HydrophobicContact CD2-CG 4.2Å; A59-M85 HydrophobicContact CB-CG 3.83Å; A59-M85 HydrophobicContact CB-SD 3.65Å; L74-M85 HydrophobicContact CD2-CE 3.57Å; L74-M85 HydrophobicContact CD2-SD 4.31Å; Y81-M85 HydrophobicContact CE1-CB 4.22Å; Y81-M85 HydrophobicContact CE1-SD 4.4Å; Y81-M85 WeakPolarHBondContact O-CB 3.4Å; Y81-M85 PolarHBondContact O-N 3.3Å; F82-M85 HydrophobicContact CD2-CE 3.46Å; F82-M85 VanDerWaalsContact CD2-CE 3.46Å; F82-M85 HydrophobicContact CE2-CE 3.74Å; F82-M85 HydrophobicContact CG-CE 4.49Å; F82-M85 PolarHBondContact O-N 3.23Å; M85-N87 VanDerWaalsContact C-N 3.34Å; M85-N87 PolarHBondContact O-N 2.95Å; M85-A88 PolarHBondContact O-N 3.46Å; M85-Y89 WeakPolarHBondContact O-CB 2.96Å; M85-Y89 PolarHBondContact O-N 3.44Å; M85-L120 HydrophobicContact CE-CD2 3.46Å; M85-L120 VanDerWaalsContact CE-CD2 3.46Å; M85-L120 HydrophobicContact CG-CD2 4.28Å; M85-L120 HydrophobicContact SD-CD2 3.76Å |
| 86 | C | 84.4 | Confident | 84.8 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.4 | -35 | 176.2 | -74 | 0 | 0 | 0 | 0 | 113.2 | F82 V83 Q84 Y89 R90 C124 F145 | F82-C86 PolarHBondContact O-N 3.26Å; V83-C86 PolarHBondContact O-N 2.84Å; Q84-C86 PolarHBondContact O-N 3.31Å; C86-Y89 PolarHBondContact O-N 3.43Å; C86-R90 PolarHBondContact O-N 3.48Å; C86-C124 WeakPolarHBondContact CA-SG 3.43Å; C86-C124 HydrophobicContact CB-CB 3.46Å; C86-C124 VanDerWaalsContact CB-CB 3.46Å; C86-C124 WeakPolarHBondContact CB-SG 3.16Å; C86-C124 VanDerWaalsContact SG-CA 3.54Å; C86-C124 WeakPolarHBondContact SG-CB 3.43Å; C86-C124 CovalentContact SG-SG 2.04Å; C86-C124 PolarHBondContact SG-SG 3.03Å; C86-F145 HydrophobicContact CB-CE2 3.95Å |
| 87 | N | 87.1 | Confident | 85.9 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 34% | 0.337 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 172.6 | -76.7 | -41.1 | 0 | 0 | 0 | 112.3 | V83 Q84 M85 Y89 R90 R91 | V83-N87 PolarHBondContact O-N 2.82Å; V83-N87 PolarHBondContact O-ND2 3.42Å; V83-N87 VanDerWaalsContact O-ND2 3.13Å; Q84-N87 WeakPolarHBondContact O-CB 3.39Å; Q84-N87 PolarHBondContact O-N 3.3Å; M85-N87 VanDerWaalsContact C-N 3.34Å; M85-N87 PolarHBondContact O-N 2.95Å; N87-Y89 VanDerWaalsContact C-N 3.34Å; N87-R90 PolarHBondContact O-N 3.39Å; N87-R91 PolarHBondContact O-N 3.23Å; N87-R91 PolarHBondContact O-NH1 3.25Å |
| 88 | A | 89.2 | Confident | 86.7 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E53 L54 L57 Q84 M85 R90 R91 F92 | E53-A88 HydrophobicContact CG-CB 3.81Å; L54-A88 HydrophobicContact CD2-CB 3.85Å; L54-A88 HydrophobicContact CG-CB 4.25Å; L57-A88 HydrophobicContact CD1-CB 3.61Å; Q84-A88 PolarHBondContact O-N 3.04Å; M85-A88 PolarHBondContact O-N 3.46Å; A88-R90 VanDerWaalsContact C-N 3.33Å; A88-R90 PolarHBondContact O-N 2.99Å; A88-R91 WeakPolarHBondContact O-CB 3.49Å; A88-R91 PolarHBondContact O-N 3.03Å; A88-R91 VanDerWaalsContact O-N 3.16Å; A88-F92 PolarHBondContact O-N 2.81Å |
| 89 | Y | 88.9 | Confident | 87 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 178 | -173.4 | -100.8 | 0 | 0 | 0 | 113.1 | L54 M85 C86 N87 R91 F92 E93 S117 L120 A121 C124 L125 | L54-Y89 HydrophobicContact CD1-CD2 3.9Å; M85-Y89 WeakPolarHBondContact O-CB 2.96Å; M85-Y89 PolarHBondContact O-N 3.44Å; C86-Y89 PolarHBondContact O-N 3.43Å; N87-Y89 VanDerWaalsContact C-N 3.34Å; Y89-R91 VanDerWaalsContact C-N 3.34Å; Y89-R91 PolarHBondContact O-N 3.02Å; Y89-F92 AromaticContact CD2-CD1 3.98Å; Y89-F92 HydrophobicContact CD2-CD1 3.98Å; Y89-F92 AromaticContact CE2-CD1 3.73Å; Y89-F92 HydrophobicContact CE2-CD1 3.73Å; Y89-F92 HydrophobicContact CE2-CE1 4.1Å; Y89-F92 WeakPolarHBondContact O-CB 2.79Å; Y89-F92 PolarHBondContact O-N 2.91Å; Y89-E93 HydrophobicContact CE1-CB 4.49Å; Y89-E93 PolarHBondContact O-N 2.74Å; Y89-E93 PolarHBondContact OH-OE2 2.63Å; Y89-S117 WeakPolarHBondContact CE2-OG 3.44Å; Y89-S117 PolarHBondContact OH-O 3.27Å; Y89-S117 PolarHBondContact OH-OG 2.92Å; Y89-L120 HydrophobicContact CD1-CB 3.98Å; Y89-L120 HydrophobicContact CD2-CB 3.39Å; Y89-L120 HydrophobicContact CD2-CD1 3.47Å; Y89-L120 VanDerWaalsContact CD2-CD1 3.47Å; Y89-L120 HydrophobicContact CD2-CG 4.06Å; Y89-L120 HydrophobicContact CE1-CB 4.09Å; Y89-L120 HydrophobicContact CE2-CB 3.51Å; Y89-L120 HydrophobicContact CE2-CD1 4.01Å; Y89-L120 HydrophobicContact CE2-CG 4.4Å; Y89-L120 HydrophobicContact CG-CB 3.65Å; Y89-L120 HydrophobicContact CG-CD1 4.19Å; Y89-L120 HydrophobicContact CG-CG 4.49Å; Y89-A121 HydrophobicContact CE1-CB 4.11Å; Y89-C124 HydrophobicContact CD1-CB 3.98Å; Y89-L125 HydrophobicContact CD1-CD1 3.86Å; Y89-L125 HydrophobicContact CD1-CD2 4.32Å; Y89-L125 HydrophobicContact CD1-CG 3.69Å; Y89-L125 HydrophobicContact CE1-CD1 3.36Å; Y89-L125 HydrophobicContact CE1-CG 3.57Å |
| 90 | R | 87.6 | Confident | 87.3 | Confident | 125 Ų | 125 | 55.1 Ų | 55.1 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 174.5 | -174.8 | 177.4 | 62.4 | -179.5 | -3 | 112.9 | C86 N87 A88 Q94 L125 | C86-R90 PolarHBondContact O-N 3.48Å; N87-R90 PolarHBondContact O-N 3.39Å; A88-R90 VanDerWaalsContact C-N 3.33Å; A88-R90 PolarHBondContact O-N 2.99Å; R90-Q94 WeakPolarHBondContact O-CG 3.14Å; R90-Q94 PolarHBondContact O-N 3.43Å; R90-L125 HydrophobicContact CB-CD2 3.98Å; R90-L125 HydrophobicContact CG-CD2 4.12Å |
| 91 | R | 91.2 | Very high | 87.3 | Confident | 110 Ų | 110 | 58.7 Ų | 58.7 | 42% | 0.415 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 175.1 | -72.8 | -174.7 | -73.5 | -83.2 | 2.8 | 111.3 | E53 N87 A88 Y89 Q94 C95 | E53-R91 IonicContact OE1-CZ 2.7Å; E53-R91 IonicContact OE1-NE 3.18Å; E53-R91 IonicContact OE1-NH2 3.26Å; E53-R91 PolarHBondContact OE1-NH2 3.39Å; E53-R91 IonicContact OE2-CZ 2.9Å; E53-R91 IonicContact OE2-NE 2.95Å; E53-R91 PolarHBondContact OE2-NE 2.91Å; E53-R91 IonicContact OE2-NH2 2.71Å; E53-R91 PolarHBondContact OE2-NH2 3.13Å; N87-R91 PolarHBondContact O-N 3.23Å; N87-R91 PolarHBondContact O-NH1 3.25Å; A88-R91 WeakPolarHBondContact O-CB 3.49Å; A88-R91 PolarHBondContact O-N 3.03Å; A88-R91 VanDerWaalsContact O-N 3.16Å; Y89-R91 VanDerWaalsContact C-N 3.34Å; Y89-R91 PolarHBondContact O-N 3.02Å; R91-Q94 PolarHBondContact O-N 2.63Å; R91-C95 WeakPolarHBondContact O-CB 2.98Å; R91-C95 PolarHBondContact O-N 2.98Å |
| 92 | F | 92.3 | Very high | 87.3 | Confident | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 175.9 | 168.7 | -102.3 | 0 | 0 | 0 | 112.1 | C50 A51 L54 F60 A88 Y89 Q94 C95 I96 W104 S117 | C50-F92 HydrophobicContact CB-CD2 3.83Å; C50-F92 HydrophobicContact CB-CE2 4.13Å; A51-F92 HydrophobicContact CB-CD2 4.23Å; A51-F92 HydrophobicContact CB-CE2 3.87Å; L54-F92 HydrophobicContact CD1-CB 3.46Å; L54-F92 VanDerWaalsContact CD1-CB 3.46Å; L54-F92 HydrophobicContact CD1-CD1 3.83Å; L54-F92 HydrophobicContact CD1-CD2 4.19Å; L54-F92 HydrophobicContact CD1-CG 3.55Å; L54-F92 HydrophobicContact CG-CB 4.49Å; F60-F92 HydrophobicContact CE2-CD1 4.16Å; F60-F92 HydrophobicContact CE2-CD2 4.08Å; F60-F92 AromaticContact CE2-CE1 3.94Å; F60-F92 HydrophobicContact CE2-CE1 3.94Å; F60-F92 AromaticContact CE2-CE2 3.86Å; F60-F92 HydrophobicContact CE2-CE2 3.86Å; F60-F92 HydrophobicContact CE2-CG 4.21Å; F60-F92 AromaticContact CE2-CZ 3.78Å; F60-F92 HydrophobicContact CE2-CZ 3.78Å; F60-F92 AromaticContact CZ-CD1 3.98Å; F60-F92 HydrophobicContact CZ-CD1 3.98Å; F60-F92 AromaticContact CZ-CE1 3.65Å; F60-F92 HydrophobicContact CZ-CE1 3.65Å; F60-F92 HydrophobicContact CZ-CE2 4.4Å; F60-F92 HydrophobicContact CZ-CG 4.48Å; F60-F92 AromaticContact CZ-CZ 3.87Å; F60-F92 HydrophobicContact CZ-CZ 3.87Å; A88-F92 PolarHBondContact O-N 2.81Å; Y89-F92 AromaticContact CD2-CD1 3.98Å; Y89-F92 HydrophobicContact CD2-CD1 3.98Å; Y89-F92 AromaticContact CE2-CD1 3.73Å; Y89-F92 HydrophobicContact CE2-CD1 3.73Å; Y89-F92 HydrophobicContact CE2-CE1 4.1Å; Y89-F92 WeakPolarHBondContact O-CB 2.79Å; Y89-F92 PolarHBondContact O-N 2.91Å; F92-Q94 VanDerWaalsContact C-N 3.32Å; F92-Q94 PolarHBondContact O-N 3.41Å; F92-C95 WeakPolarHBondContact O-CA 3.35Å; F92-C95 WeakPolarHBondContact O-CB 3.43Å; F92-C95 PolarHBondContact O-N 3.15Å; F92-I96 HydrophobicContact CD1-CD1 4.43Å; F92-I96 HydrophobicContact CD2-CG2 3.96Å; F92-I96 HydrophobicContact CE1-CD1 3.71Å; F92-I96 HydrophobicContact CE1-CG1 4.44Å; F92-I96 HydrophobicContact CE1-CG2 4.43Å; F92-I96 HydrophobicContact CE2-CG2 3.48Å; F92-I96 VanDerWaalsContact CE2-CG2 3.48Å; F92-I96 HydrophobicContact CZ-CD1 3.83Å; F92-I96 HydrophobicContact CZ-CG1 4.49Å; F92-I96 HydrophobicContact CZ-CG2 3.76Å; F92-I96 PolarHBondContact O-N 3.43Å; F92-W104 AromaticContact CE1-CH2 3.94Å; F92-W104 HydrophobicContact CE1-CH2 3.94Å; F92-W104 HydrophobicContact CZ-CH2 4.02Å; F92-W104 HydrophobicContact CZ-CZ3 4.28Å; F92-S117 WeakPolarHBondContact CE1-OG 3.47Å |
| 93 | E | 90.4 | Very high | 87.6 | Confident | 36 Ų | 36 | 60 Ų | 60 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 179.7 | -173 | 76.2 | -166.4 | 0 | 0 | 111.6 | Y89 C95 I96 L97 K100 L125 | Y89-E93 HydrophobicContact CE1-CB 4.49Å; Y89-E93 PolarHBondContact O-N 2.74Å; Y89-E93 PolarHBondContact OH-OE2 2.63Å; E93-C95 VanDerWaalsContact C-N 3.3Å; E93-C95 PolarHBondContact O-N 3.3Å; E93-I96 WeakPolarHBondContact O-CG1 3.28Å; E93-I96 PolarHBondContact O-N 3.36Å; E93-L97 PolarHBondContact O-N 3.28Å; E93-K100 WeakPolarHBondContact OE1-CD 3.46Å; E93-K100 IonicContact OE1-NZ 3.6Å; E93-K100 PolarHBondContact OE1-NZ 2.85Å; E93-K100 IonicContact OE2-NZ 3.69Å; E93-K100 PolarHBondContact OE2-NZ 2.75Å; E93-L125 HydrophobicContact CB-CD1 3.62Å; E93-L125 HydrophobicContact CG-CD1 3.45Å; E93-L125 VanDerWaalsContact CG-CD1 3.45Å |
| 94 | Q | 90.3 | Very high | 87.6 | Confident | 132 Ų | 132 | 57.6 Ų | 57.6 | 62% | 0.617 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.1 | -38.8 | 175 | -72.3 | 174.6 | -13.1 | 0 | 0 | 112.1 | R90 R91 F92 | R90-Q94 WeakPolarHBondContact O-CG 3.14Å; R90-Q94 PolarHBondContact O-N 3.43Å; R91-Q94 PolarHBondContact O-N 2.63Å; F92-Q94 VanDerWaalsContact C-N 3.32Å; F92-Q94 PolarHBondContact O-N 3.41Å |
| 95 | C | 93.5 | Very high | 87.1 | Confident | 40 Ų | 40 | 54.9 Ų | 54.9 | 27% | 0.27 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | -179.7 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | Y46 C50 R91 F92 E93 P98 | Y46-C95 WeakPolarHBondContact CE1-O 3.35Å; C50-C95 HydrophobicContact CB-CB 3.58Å; C50-C95 WeakPolarHBondContact CB-SG 3.41Å; C50-C95 WeakPolarHBondContact SG-CB 3.11Å; C50-C95 CovalentContact SG-SG 2.03Å; C50-C95 PolarHBondContact SG-SG 2.99Å; R91-C95 WeakPolarHBondContact O-CB 2.98Å; R91-C95 PolarHBondContact O-N 2.98Å; F92-C95 WeakPolarHBondContact O-CA 3.35Å; F92-C95 WeakPolarHBondContact O-CB 3.43Å; F92-C95 PolarHBondContact O-N 3.15Å; E93-C95 VanDerWaalsContact C-N 3.3Å; E93-C95 PolarHBondContact O-N 3.3Å; C95-P98 WeakPolarHBondContact O-CD 3.39Å |
| 96 | I | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -84.9 | -10.7 | -175.9 | 65.9 | 165 | 0 | 0 | 0 | 114.5 | I47 C50 F92 E93 P98 Y99 K100 W104 | I47-I96 HydrophobicContact CG1-CG2 4.32Å; I47-I96 HydrophobicContact CG2-CG2 4.07Å; C50-I96 HydrophobicContact CB-CG2 3.84Å; F92-I96 HydrophobicContact CD1-CD1 4.43Å; F92-I96 HydrophobicContact CD2-CG2 3.96Å; F92-I96 HydrophobicContact CE1-CD1 3.71Å; F92-I96 HydrophobicContact CE1-CG1 4.44Å; F92-I96 HydrophobicContact CE1-CG2 4.43Å; F92-I96 HydrophobicContact CE2-CG2 3.48Å; F92-I96 VanDerWaalsContact CE2-CG2 3.48Å; F92-I96 HydrophobicContact CZ-CD1 3.83Å; F92-I96 HydrophobicContact CZ-CG1 4.49Å; F92-I96 HydrophobicContact CZ-CG2 3.76Å; F92-I96 PolarHBondContact O-N 3.43Å; E93-I96 WeakPolarHBondContact O-CG1 3.28Å; E93-I96 PolarHBondContact O-N 3.36Å; I96-P98 VanDerWaalsContact C-N 3.27Å; I96-P98 WeakPolarHBondContact O-CD 3.4Å; I96-Y99 PolarHBondContact O-N 2.86Å; I96-K100 HydrophobicContact CD1-CB 4.16Å; I96-K100 HydrophobicContact CD1-CD 3.78Å; I96-K100 HydrophobicContact CD1-CG 3.98Å; I96-K100 HydrophobicContact CG1-CB 4.32Å; I96-K100 HydrophobicContact CG1-CD 4.4Å; I96-K100 PolarHBondContact O-N 2.71Å; I96-W104 HydrophobicContact CD1-CE3 4.25Å; I96-W104 HydrophobicContact CD1-CH2 3.46Å; I96-W104 VanDerWaalsContact CD1-CH2 3.46Å; I96-W104 HydrophobicContact CD1-CZ2 4.29Å; I96-W104 HydrophobicContact CD1-CZ3 3.44Å; I96-W104 VanDerWaalsContact CD1-CZ3 3.44Å |
| 97 | L | 87.9 | Confident | 86.1 | Confident | 125 Ų | 125 | 59.8 Ų | 59.8 | 65% | 0.654 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.4 | -41.6 | -173.6 | -171.1 | 67.1 | 0 | 0 | 0 | 114.5 | E93 Y99 | E93-L97 PolarHBondContact O-N 3.28Å; L97-Y99 VanDerWaalsContact C-N 3.26Å; L97-Y99 PolarHBondContact O-N 2.89Å |
| 98 | P | 87.8 | Confident | 85.6 | Confident | 83 Ų | 83 | 58.6 Ų | 58.6 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28 | 179.5 | -22.7 | 35.1 | 0 | 0 | 0 | 114.6 | C95 I96 | C95-P98 WeakPolarHBondContact O-CD 3.39Å; I96-P98 VanDerWaalsContact C-N 3.27Å; I96-P98 WeakPolarHBondContact O-CD 3.4Å |
| 99 | Y | 87.7 | Confident | 85.3 | Confident | 73 Ų | 73 | 58.6 Ų | 58.6 | 29% | 0.286 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -8.8 | -170.8 | -54.1 | -59.6 | 0 | 0 | 0 | 113.8 | Q43 Y46 I96 L97 R101 Q102 C103 | Q43-Y99 HydrophobicContact CB-CD1 4.35Å; Q43-Y99 HydrophobicContact CB-CG 4.38Å; Q43-Y99 HydrophobicContact CG-CD1 3.7Å; Q43-Y99 HydrophobicContact CG-CE1 3.75Å; Q43-Y99 HydrophobicContact CG-CG 4.19Å; Y46-Y99 AromaticContact CD1-CD2 3.59Å; Y46-Y99 HydrophobicContact CD1-CD2 3.59Å; Y46-Y99 AromaticContact CD1-CE2 3.51Å; Y46-Y99 HydrophobicContact CD1-CE2 3.51Å; Y46-Y99 AromaticContact CE1-CD2 3.98Å; Y46-Y99 HydrophobicContact CE1-CD2 3.98Å; Y46-Y99 AromaticContact CE1-CE2 3.8Å; Y46-Y99 HydrophobicContact CE1-CE2 3.8Å; Y46-Y99 HydrophobicContact CG-CD2 4.43Å; Y46-Y99 HydrophobicContact CG-CE2 4.05Å; I96-Y99 PolarHBondContact O-N 2.86Å; L97-Y99 VanDerWaalsContact C-N 3.26Å; L97-Y99 PolarHBondContact O-N 2.89Å; Y99-R101 PolarHBondContact O-N 3.33Å; Y99-Q102 PolarHBondContact O-N 3.33Å; Y99-C103 WeakPolarHBondContact O-CB 3.17Å; Y99-C103 PolarHBondContact O-N 3.05Å |
| 100 | K | 85.8 | Confident | 84.7 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 14% | 0.143 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -49.8 | -58.1 | -175.9 | -174.2 | 170.8 | -178.7 | 166.6 | 0 | 111 | E93 I96 Q102 C103 W104 E118 | E93-K100 WeakPolarHBondContact OE1-CD 3.46Å; E93-K100 IonicContact OE1-NZ 3.6Å; E93-K100 PolarHBondContact OE1-NZ 2.85Å; E93-K100 IonicContact OE2-NZ 3.69Å; E93-K100 PolarHBondContact OE2-NZ 2.75Å; I96-K100 HydrophobicContact CD1-CB 4.16Å; I96-K100 HydrophobicContact CD1-CD 3.78Å; I96-K100 HydrophobicContact CD1-CG 3.98Å; I96-K100 HydrophobicContact CG1-CB 4.32Å; I96-K100 HydrophobicContact CG1-CD 4.4Å; I96-K100 PolarHBondContact O-N 2.71Å; K100-Q102 PolarHBondContact O-N 3.47Å; K100-Q102 VanDerWaalsContact O-N 3.13Å; K100-C103 PolarHBondContact O-N 2.73Å; K100-W104 HydrophobicContact CG-CD2 3.98Å; K100-W104 HydrophobicContact CG-CE3 4.07Å; K100-W104 HydrophobicContact CG-CG 4.23Å; K100-W104 VanDerWaalsContact O-CB 3.26Å; K100-W104 WeakPolarHBondContact O-CB 3.42Å; K100-W104 PolarHBondContact O-N 2.88Å; K100-E118 IonicContact NZ-OE1 3.82Å |
| 101 | R | 82 | Confident | 83.8 | Confident | 196 Ų | 196 | 53.9 Ų | 53.9 | 74% | 0.74 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -55.4 | -36.3 | -178.8 | -67.9 | -173.5 | -176.2 | -179.4 | 2.3 | 114 | Y36 Y99 | Y36-R101 WeakPolarHBondContact CB-O 3.26Å; Y36-R101 HydrophobicContact CD1-CB 3.92Å; Y36-R101 VanDerWaalsContact CD1-O 3.24Å; Y36-R101 WeakPolarHBondContact CD1-O 3.43Å; Y36-R101 HydrophobicContact CE1-CB 4.04Å; Y99-R101 PolarHBondContact O-N 3.33Å |
| 102 | Q | 82.8 | Confident | 83.1 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -78.7 | -35.4 | -177 | -66.6 | 169.8 | 6.3 | 0 | 0 | 112.5 | Q43 Y99 K100 V106 | Q43-Q102 VanDerWaalsContact NE2-OE1 3.08Å; Y99-Q102 PolarHBondContact O-N 3.33Å; K100-Q102 PolarHBondContact O-N 3.47Å; K100-Q102 VanDerWaalsContact O-N 3.13Å; Q102-V106 WeakPolarHBondContact O-CG2 3.4Å |
| 103 | C | 85.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -105.5 | -19.3 | -169.6 | -71.3 | 0 | 0 | 0 | 0 | 114.9 | C39 I47 Y99 K100 Y105 V106 I109 | C39-C103 HydrophobicContact CB-CB 3.88Å; C39-C103 WeakPolarHBondContact CB-SG 3.45Å; C39-C103 VanDerWaalsContact SG-CA 3.56Å; C39-C103 WeakPolarHBondContact SG-CB 3.3Å; C39-C103 CovalentContact SG-SG 2.04Å; C39-C103 PolarHBondContact SG-SG 2.76Å; I47-C103 HydrophobicContact CD1-CB 3.32Å; I47-C103 VanDerWaalsContact CD1-SG 3.59Å; Y99-C103 WeakPolarHBondContact O-CB 3.17Å; Y99-C103 PolarHBondContact O-N 3.05Å; K100-C103 PolarHBondContact O-N 2.73Å; C103-Y105 VanDerWaalsContact C-N 3.27Å; C103-Y105 PolarHBondContact O-N 3.49Å; C103-V106 PolarHBondContact O-N 2.91Å; C103-I109 HydrophobicContact CB-CG2 4.31Å; C103-I109 WeakPolarHBondContact O-CG2 3.42Å |
| 104 | W | 83.2 | Confident | 82.1 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -32.4 | -169.1 | -139.7 | -133.7 | 0 | 0 | 0 | 115 | F92 I96 K100 I109 K110 A114 S117 E118 | F92-W104 AromaticContact CE1-CH2 3.94Å; F92-W104 HydrophobicContact CE1-CH2 3.94Å; F92-W104 HydrophobicContact CZ-CH2 4.02Å; F92-W104 HydrophobicContact CZ-CZ3 4.28Å; I96-W104 HydrophobicContact CD1-CE3 4.25Å; I96-W104 HydrophobicContact CD1-CH2 3.46Å; I96-W104 VanDerWaalsContact CD1-CH2 3.46Å; I96-W104 HydrophobicContact CD1-CZ2 4.29Å; I96-W104 HydrophobicContact CD1-CZ3 3.44Å; I96-W104 VanDerWaalsContact CD1-CZ3 3.44Å; K100-W104 HydrophobicContact CG-CD2 3.98Å; K100-W104 HydrophobicContact CG-CE3 4.07Å; K100-W104 HydrophobicContact CG-CG 4.23Å; K100-W104 VanDerWaalsContact O-CB 3.26Å; K100-W104 WeakPolarHBondContact O-CB 3.42Å; K100-W104 PolarHBondContact O-N 2.88Å; W104-I109 HydrophobicContact CE3-CG2 4.38Å; W104-K110 WeakPolarHBondContact O-CA 3.31Å; W104-K110 WeakPolarHBondContact O-CB 3.29Å; W104-A114 HydrophobicContact CD2-CB 3.53Å; W104-A114 HydrophobicContact CE3-CB 4.07Å; W104-A114 HydrophobicContact CG-CB 3.78Å; W104-A114 HydrophobicContact CZ2-CB 4.12Å; W104-A114 VanDerWaalsContact O-CB 3.3Å; W104-A114 WeakPolarHBondContact O-CB 3.16Å; W104-S117 WeakPolarHBondContact CH2-OG 3.39Å; W104-S117 WeakPolarHBondContact CZ2-OG 3.41Å; W104-E118 PolarHBondContact NE1-OE1 2.93Å |
| 105 | Y | 75.4 | Confident | 81.3 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 20% | 0.2 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 9 | -175.3 | -53 | -71.4 | 0 | 0 | 0 | 112.3 | F31 C103 | F31-Y105 HydrophobicContact CB-CD1 4.37Å; F31-Y105 HydrophobicContact CB-CD2 4.16Å; F31-Y105 HydrophobicContact CB-CE1 4.49Å; F31-Y105 HydrophobicContact CB-CE2 4.3Å; F31-Y105 HydrophobicContact CB-CG 4.21Å; F31-Y105 HydrophobicContact CD1-CD2 4.03Å; F31-Y105 HydrophobicContact CD1-CE1 4.47Å; F31-Y105 AromaticContact CD1-CE2 3.43Å; F31-Y105 HydrophobicContact CD1-CE2 3.43Å; F31-Y105 VanDerWaalsContact CD1-CE2 3.43Å; F31-Y105 AromaticContact CD1-CZ 3.69Å; F31-Y105 HydrophobicContact CD2-CD1 4.3Å; F31-Y105 AromaticContact CD2-CE1 3.65Å; F31-Y105 HydrophobicContact CD2-CE1 3.65Å; F31-Y105 HydrophobicContact CD2-CE2 4.12Å; F31-Y105 AromaticContact CD2-CZ 3.56Å; F31-Y105 AromaticContact CE1-CE2 3.7Å; F31-Y105 HydrophobicContact CE1-CE2 3.7Å; F31-Y105 AromaticContact CE1-CZ 3.73Å; F31-Y105 WeakPolarHBondContact CE1-OH 3.43Å; F31-Y105 AromaticContact CE2-CE1 3.96Å; F31-Y105 HydrophobicContact CE2-CE1 3.96Å; F31-Y105 HydrophobicContact CE2-CE2 4.35Å; F31-Y105 AromaticContact CE2-CZ 3.59Å; F31-Y105 VanDerWaalsContact CE2-OH 3.22Å; F31-Y105 WeakPolarHBondContact CE2-OH 3.19Å; F31-Y105 HydrophobicContact CG-CD1 4.29Å; F31-Y105 HydrophobicContact CG-CD2 4.04Å; F31-Y105 AromaticContact CG-CE1 3.94Å; F31-Y105 HydrophobicContact CG-CE1 3.94Å; F31-Y105 AromaticContact CG-CE2 3.66Å; F31-Y105 HydrophobicContact CG-CE2 3.66Å; F31-Y105 HydrophobicContact CG-CG 4.34Å; F31-Y105 AromaticContact CG-CZ 3.62Å; F31-Y105 HydrophobicContact CZ-CE1 4.5Å; F31-Y105 HydrophobicContact CZ-CE2 4.16Å; F31-Y105 AromaticContact CZ-CZ 3.68Å; F31-Y105 WeakPolarHBondContact CZ-OH 3.48Å; C103-Y105 VanDerWaalsContact C-N 3.27Å; C103-Y105 PolarHBondContact O-N 3.49Å |
| 106 | V | 76.3 | Confident | 80.4 | Confident | 37 Ų | 37 | 40.5 Ų | 40.5 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -106.6 | 128.3 | -178 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | V33 C39 Q102 C103 I109 K110 | V33-V106 HydrophobicContact CG1-CG2 4.21Å; C39-V106 HydrophobicContact CB-CB 4.08Å; C39-V106 HydrophobicContact CB-CG1 4.08Å; C39-V106 HydrophobicContact CB-CG2 4.18Å; Q102-V106 WeakPolarHBondContact O-CG2 3.4Å; C103-V106 PolarHBondContact O-N 2.91Å; V106-I109 PolarHBondContact O-N 3.43Å; V106-K110 PolarHBondContact O-N 3.06Å |
| 107 | E | 71.6 | Confident | 80 | Confident | 77 Ų | 77 | 40.5 Ų | 40.5 | 36% | 0.36 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 142.2 | 172.3 | -67.1 | -60.3 | 165.8 | 0 | 0 | 111 | G111 | E107-G111 PolarHBondContact OE2-N 2.89Š|
| 108 | P | 76.9 | Confident | 79.5 | Confident | 38 Ų | 38 | 36.1 Ų | 36.1 | 25% | 0.247 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90.7 | -3.6 | 6.3 | 37.7 | -38.9 | 0 | 0 | 0 | 114.7 | K110 G111 E112 | P108-K110 VanDerWaalsContact C-N 3.27Å; P108-K110 PolarHBondContact O-N 2.02Å; P108-G111 PolarHBondContact O-N 3.38Å; P108-E112 HydrophobicContact CB-CG 4.36Å; P108-E112 WeakPolarHBondContact CB-OE1 3.22Å; P108-E112 WeakPolarHBondContact CG-OE1 3.21Å; P108-E112 WeakPolarHBondContact O-CB 3.45Å; P108-E112 VanDerWaalsContact O-CG 3.28Å; P108-E112 WeakPolarHBondContact O-CG 3.47Å; P108-E112 PolarHBondContact O-N 3.35Å |
| 109 | I | 82.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61 | -37.7 | -175.9 | -64.8 | -61.8 | 0 | 0 | 0 | 111.8 | Q44 I47 R48 C103 W104 V106 E112 L113 A114 | Q44-I109 HydrophobicContact CB-CD1 3.99Å; Q44-I109 HydrophobicContact CB-CG1 4.12Å; Q44-I109 HydrophobicContact CG-CD1 4.22Å; Q44-I109 HydrophobicContact CG-CG1 3.77Å; I47-I109 HydrophobicContact CB-CD1 4.43Å; I47-I109 HydrophobicContact CD1-CG2 4.45Å; I47-I109 HydrophobicContact CG2-CD1 4.21Å; I47-I109 HydrophobicContact CG2-CG2 4.32Å; R48-I109 HydrophobicContact CG-CD1 4.48Å; C103-I109 HydrophobicContact CB-CG2 4.31Å; C103-I109 WeakPolarHBondContact O-CG2 3.42Å; W104-I109 HydrophobicContact CE3-CG2 4.38Å; V106-I109 PolarHBondContact O-N 3.43Å; I109-E112 PolarHBondContact O-N 2.93Å; I109-L113 HydrophobicContact CD1-CD1 4.31Å; I109-L113 PolarHBondContact O-N 3.18Å; I109-A114 PolarHBondContact O-N 3.1Å |
| 110 | K | 75.6 | Confident | 78.4 | Confident | 13 Ų | 13 | 29 Ų | 29 | 6% | 0.057 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -52.7 | -58.7 | 174.1 | -178.3 | -176.6 | 172.1 | -178.6 | 0 | 111.4 | W104 V106 P108 A114 V115 V232 | W104-K110 WeakPolarHBondContact O-CA 3.31Å; W104-K110 WeakPolarHBondContact O-CB 3.29Å; V106-K110 PolarHBondContact O-N 3.06Å; P108-K110 VanDerWaalsContact C-N 3.27Å; P108-K110 PolarHBondContact O-N 2.02Å; K110-A114 WeakPolarHBondContact O-CB 3.35Å; K110-A114 PolarHBondContact O-N 3.29Å; K110-V115 PolarHBondContact O-N 3.09Å; K110-V232 WeakPolarHBondContact CE-O 3.49Å; K110-V232 HydrophobicContact CG-CG1 4.09Å; K110-V232 PolarHBondContact NZ-O 2.8Å |
| 111 | G | 68.8 | Low | 78.1 | Confident | 14 Ų | 14 | 27.8 Ų | 27.8 | 14% | 0.144 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -69.3 | -34.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T67 E107 P108 | T67-G111 VanDerWaalsContact CB-O 3.3Å; T67-G111 WeakPolarHBondContact CB-O 3.37Å; T67-G111 WeakPolarHBondContact CG2-O 3.4Å; T67-G111 PolarHBondContact OG1-O 2.89Å; E107-G111 PolarHBondContact OE2-N 2.89Å; P108-G111 PolarHBondContact O-N 3.38Å |
| 112 | E | 77.4 | Confident | 77.5 | Confident | 18 Ų | 18 | 18.6 Ų | 18.6 | 8% | 0.084 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -72.9 | -41.7 | -177.7 | -75.4 | 179.6 | -151.7 | 0 | 0 | 113.8 | R48 P64 P108 I109 | R48-E112 IonicContact CZ-OE1 3.69Å; R48-E112 IonicContact CZ-OE2 3.51Å; R48-E112 IonicContact NE-OE1 3.7Å; R48-E112 IonicContact NE-OE2 2.83Å; R48-E112 PolarHBondContact NE-OE2 3.02Å; R48-E112 IonicContact NH2-OE1 2.81Å; R48-E112 PolarHBondContact NH2-OE1 2.8Å; R48-E112 IonicContact NH2-OE2 3.34Å; R48-E112 PolarHBondContact NH2-OE2 3.04Å; P64-E112 HydrophobicContact CB-CG 3.62Å; P64-E112 HydrophobicContact CG-CG 3.49Å; P64-E112 VanDerWaalsContact CG-CG 3.49Å; P108-E112 HydrophobicContact CB-CG 4.36Å; P108-E112 WeakPolarHBondContact CB-OE1 3.22Å; P108-E112 WeakPolarHBondContact CG-OE1 3.21Å; P108-E112 WeakPolarHBondContact O-CB 3.45Å; P108-E112 VanDerWaalsContact O-CG 3.28Å; P108-E112 WeakPolarHBondContact O-CG 3.47Å; P108-E112 PolarHBondContact O-N 3.35Å; I109-E112 PolarHBondContact O-N 2.93Å |
| 113 | L | 82.4 | Confident | 77 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -133.3 | -42.9 | -163.6 | -60.2 | 174.4 | 0 | 0 | 0 | 113 | I47 A51 F60 I109 V115 S116 S117 | I47-L113 HydrophobicContact CG2-CD1 3.47Å; I47-L113 VanDerWaalsContact CG2-CD1 3.47Å; A51-L113 HydrophobicContact CB-CD1 4.15Å; A51-L113 HydrophobicContact CB-CD2 3.8Å; F60-L113 HydrophobicContact CB-CD2 4.09Å; F60-L113 HydrophobicContact CD1-CD2 4.4Å; F60-L113 HydrophobicContact CD2-CD2 3.52Å; F60-L113 HydrophobicContact CE2-CD2 3.9Å; F60-L113 HydrophobicContact CG-CD2 3.78Å; I109-L113 HydrophobicContact CD1-CD1 4.31Å; I109-L113 PolarHBondContact O-N 3.18Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 3.1Å; L113-S116 PolarHBondContact O-N 3.31Å; L113-S117 WeakPolarHBondContact O-CB 3.37Å; L113-S117 PolarHBondContact O-N 3.18Å |
| 114 | A | 80.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | I | π-helix | trans | -61.9 | -41.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | W104 I109 K110 S117 E118 V232 | W104-A114 HydrophobicContact CD2-CB 3.53Å; W104-A114 HydrophobicContact CE3-CB 4.07Å; W104-A114 HydrophobicContact CG-CB 3.78Å; W104-A114 HydrophobicContact CZ2-CB 4.12Å; W104-A114 VanDerWaalsContact O-CB 3.3Å; W104-A114 WeakPolarHBondContact O-CB 3.16Å; I109-A114 PolarHBondContact O-N 3.1Å; K110-A114 WeakPolarHBondContact O-CB 3.35Å; K110-A114 PolarHBondContact O-N 3.29Å; A114-S117 PolarHBondContact O-N 3.02Å; A114-E118 PolarHBondContact O-N 3.22Å; A114-V232 HydrophobicContact CB-CG1 3.79Å |
| 115 | V | 72.1 | Confident | 75.9 | Confident | 19 Ų | 19 | 17.4 Ų | 17.4 | 12% | 0.115 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.5 | -52.3 | -179.9 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | T67 K110 L113 S117 Q229 V232 Y233 | T67-V115 HydrophobicContact CG2-CB 4.41Å; K110-V115 PolarHBondContact O-N 3.09Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 3.1Å; V115-S117 VanDerWaalsContact C-N 3.32Å; V115-S117 PolarHBondContact O-N 3.24Å; V115-Q229 HydrophobicContact CG1-CB 4.35Å; V115-V232 HydrophobicContact CG2-CB 4.45Å; V115-V232 HydrophobicContact CG2-CG1 4.01Å; V115-Y233 HydrophobicContact CG2-CD2 3.95Å; V115-Y233 HydrophobicContact CG2-CG 4.3Å |
| 116 | S | 75.3 | Confident | 75 | Confident | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.4 | -75.5 | 0 | 0 | 0 | 0 | 111 | T67 I70 L113 E118 A119 L120 | T67-S116 WeakPolarHBondContact CG2-OG 3.47Å; I70-S116 WeakPolarHBondContact CD1-O 3.37Å; L113-S116 PolarHBondContact O-N 3.31Å; S116-E118 VanDerWaalsContact C-N 3.32Å; S116-E118 PolarHBondContact O-N 3.29Å; S116-A119 PolarHBondContact O-N 3.3Å; S116-A119 VanDerWaalsContact O-N 3.15Å; S116-L120 PolarHBondContact O-N 3.4Å |
| 117 | S | 83.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61 | -37.6 | -177.1 | -174.2 | 0 | 0 | 0 | 0 | 112.8 | Y89 F92 W104 L113 A114 V115 A119 L120 A121 | Y89-S117 WeakPolarHBondContact CE2-OG 3.44Å; Y89-S117 PolarHBondContact OH-O 3.27Å; Y89-S117 PolarHBondContact OH-OG 2.92Å; F92-S117 WeakPolarHBondContact CE1-OG 3.47Å; W104-S117 WeakPolarHBondContact CH2-OG 3.39Å; W104-S117 WeakPolarHBondContact CZ2-OG 3.41Å; L113-S117 WeakPolarHBondContact O-CB 3.37Å; L113-S117 PolarHBondContact O-N 3.18Å; A114-S117 PolarHBondContact O-N 3.02Å; V115-S117 VanDerWaalsContact C-N 3.32Å; V115-S117 PolarHBondContact O-N 3.24Å; S117-A119 VanDerWaalsContact C-N 3.34Å; S117-A119 PolarHBondContact O-N 2.93Å; S117-L120 CarbonylContact O-C 3.28Å; S117-L120 PolarHBondContact O-N 3.43Å; S117-A121 WeakPolarHBondContact O-CB 3.32Å; S117-A121 PolarHBondContact O-N 2.86Å |
| 118 | E | 77.3 | Confident | 71.7 | Confident | 33 Ų | 33 | 16.4 Ų | 16.4 | 15% | 0.154 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.2 | -30.6 | 177.4 | -73.2 | -52.6 | 137.8 | 0 | 0 | 113.8 | K100 W104 A114 S116 F122 R228 V232 | K100-E118 IonicContact NZ-OE1 3.82Å; W104-E118 PolarHBondContact NE1-OE1 2.93Å; A114-E118 PolarHBondContact O-N 3.22Å; S116-E118 VanDerWaalsContact C-N 3.32Å; S116-E118 PolarHBondContact O-N 3.29Å; E118-F122 PolarHBondContact O-N 3.19Å; E118-R228 HydrophobicContact CB-CB 4.26Å; E118-V232 HydrophobicContact CB-CG2 3.97Å; E118-V232 HydrophobicContact CG-CG2 3.2Å |
| 119 | A | 72.4 | Confident | 69.8 | Low | 6 Ų | 6 | 24.1 Ų | 24.1 | 5% | 0.05 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.7 | -42.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I70 S116 S117 A121 F122 A123 Q229 | I70-A119 HydrophobicContact CD1-CB 3.53Å; S116-A119 PolarHBondContact O-N 3.3Å; S116-A119 VanDerWaalsContact O-N 3.15Å; S117-A119 VanDerWaalsContact C-N 3.34Å; S117-A119 PolarHBondContact O-N 2.93Å; A119-A121 VanDerWaalsContact C-N 3.33Å; A119-F122 PolarHBondContact O-N 3.43Å; A119-A123 VanDerWaalsContact O-CB 3.3Å; A119-A123 WeakPolarHBondContact O-CB 3.29Å; A119-A123 PolarHBondContact O-N 3.22Å; A119-Q229 VanDerWaalsContact CB-CD 3.42Å; A119-Q229 HydrophobicContact CB-CG 3.41Å; A119-Q229 VanDerWaalsContact CB-CG 3.41Å |
| 120 | L | 79.7 | Confident | 67.3 | Low | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.7 | -34.6 | 175.6 | -67.1 | 174.3 | 0 | 0 | 0 | 111.9 | L54 A59 F60 I70 M85 Y89 S116 S117 F122 A123 C124 | L54-L120 HydrophobicContact CD2-CD1 4.35Å; A59-L120 HydrophobicContact CB-CD1 4.15Å; F60-L120 HydrophobicContact CE1-CD1 3.88Å; F60-L120 HydrophobicContact CZ-CD1 4.38Å; I70-L120 HydrophobicContact CD1-CD1 4.39Å; I70-L120 HydrophobicContact CD1-CD2 4.11Å; I70-L120 HydrophobicContact CD1-CG 3.72Å; I70-L120 HydrophobicContact CG2-CD2 4.44Å; M85-L120 HydrophobicContact CE-CD2 3.46Å; M85-L120 VanDerWaalsContact CE-CD2 3.46Å; M85-L120 HydrophobicContact CG-CD2 4.28Å; M85-L120 HydrophobicContact SD-CD2 3.76Å; Y89-L120 HydrophobicContact CD1-CB 3.98Å; Y89-L120 HydrophobicContact CD2-CB 3.39Å; Y89-L120 HydrophobicContact CD2-CD1 3.47Å; Y89-L120 VanDerWaalsContact CD2-CD1 3.47Å; Y89-L120 HydrophobicContact CD2-CG 4.06Å; Y89-L120 HydrophobicContact CE1-CB 4.09Å; Y89-L120 HydrophobicContact CE2-CB 3.51Å; Y89-L120 HydrophobicContact CE2-CD1 4.01Å; Y89-L120 HydrophobicContact CE2-CG 4.4Å; Y89-L120 HydrophobicContact CG-CB 3.65Å; Y89-L120 HydrophobicContact CG-CD1 4.19Å; Y89-L120 HydrophobicContact CG-CG 4.49Å; S116-L120 PolarHBondContact O-N 3.4Å; S117-L120 CarbonylContact O-C 3.28Å; S117-L120 PolarHBondContact O-N 3.43Å; L120-F122 VanDerWaalsContact C-N 3.33Å; L120-F122 PolarHBondContact O-N 3.26Å; L120-A123 PolarHBondContact O-N 3.36Å; L120-C124 WeakPolarHBondContact O-CA 3.43Å; L120-C124 WeakPolarHBondContact O-CB 3.3Å; L120-C124 PolarHBondContact O-N 3.31Å; L120-C124 PolarHBondContact O-SG 3.29Å |
| 121 | A | 79.1 | Confident | 65.3 | Low | 7 Ų | 7 | 33.5 Ų | 33.5 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -57.8 | -48.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y89 S117 A119 L125 D126 | Y89-A121 HydrophobicContact CE1-CB 4.11Å; S117-A121 WeakPolarHBondContact O-CB 3.32Å; S117-A121 PolarHBondContact O-N 2.86Å; A119-A121 VanDerWaalsContact C-N 3.33Å; A121-L125 CarbonylContact O-C 3.56Å; A121-L125 WeakPolarHBondContact O-CA 3.33Å; A121-L125 WeakPolarHBondContact O-CB 3.03Å; A121-L125 PolarHBondContact O-N 3.44Å; A121-D126 PolarHBondContact O-N 3.44Å |
| 122 | F | 70.2 | Confident | 63.8 | Low | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -65.1 | -47 | 175.1 | -176.7 | -107.7 | 0 | 0 | 0 | 112.7 | E118 A119 L120 C124 D126 Y144 H221 E224 A225 | E118-F122 PolarHBondContact O-N 3.19Å; A119-F122 PolarHBondContact O-N 3.43Å; L120-F122 VanDerWaalsContact C-N 3.33Å; L120-F122 PolarHBondContact O-N 3.26Å; F122-C124 VanDerWaalsContact C-N 3.32Å; F122-C124 PolarHBondContact O-N 3.38Å; F122-D126 HydrophobicContact CD2-CB 4.49Å; F122-Y144 AromaticContact CE2-CD1 3.76Å; F122-Y144 HydrophobicContact CE2-CD1 3.76Å; F122-Y144 HydrophobicContact CE2-CD2 4.26Å; F122-Y144 HydrophobicContact CE2-CE1 4.21Å; F122-Y144 AromaticContact CE2-CG 3.79Å; F122-Y144 HydrophobicContact CE2-CG 3.79Å; F122-Y144 AromaticContact CZ-CD1 3.5Å; F122-Y144 HydrophobicContact CZ-CD1 3.5Å; F122-Y144 VanDerWaalsContact CZ-CD1 3.5Å; F122-Y144 HydrophobicContact CZ-CE1 4.12Å; F122-Y144 AromaticContact CZ-CG 3.87Å; F122-Y144 HydrophobicContact CZ-CG 3.87Å; F122-H221 HydrophobicContact CE1-CB 4.28Å; F122-H221 WeakPolarHBondContact CE1-O 3.5Å; F122-E224 HydrophobicContact CD1-CB 4.43Å; F122-E224 HydrophobicContact CD1-CG 4.39Å; F122-E224 HydrophobicContact CD2-CB 4.42Å; F122-E224 HydrophobicContact CD2-CG 3.58Å; F122-E224 HydrophobicContact CE1-CB 3.87Å; F122-E224 HydrophobicContact CE1-CG 4.08Å; F122-E224 HydrophobicContact CE2-CB 3.87Å; F122-E224 HydrophobicContact CE2-CG 3.21Å; F122-E224 HydrophobicContact CG-CG 4.15Å; F122-E224 HydrophobicContact CZ-CB 3.54Å; F122-E224 HydrophobicContact CZ-CG 3.48Å; F122-E224 VanDerWaalsContact CZ-CG 3.48Å; F122-A225 HydrophobicContact CD1-CB 3.85Å; F122-A225 HydrophobicContact CE1-CB 4.46Å |
| 123 | A | 72.3 | Confident | 62 | Low | 7 Ų | 7 | 42.4 Ų | 42.4 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -67.1 | -33.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F82 A119 L120 F145 | F82-A123 HydrophobicContact CE2-CB 4.2Å; F82-A123 HydrophobicContact CZ-CB 3.96Å; A119-A123 VanDerWaalsContact O-CB 3.3Å; A119-A123 WeakPolarHBondContact O-CB 3.29Å; A119-A123 PolarHBondContact O-N 3.22Å; L120-A123 PolarHBondContact O-N 3.36Å; A123-F145 VanDerWaalsContact O-CD2 3.29Å; A123-F145 WeakPolarHBondContact O-CD2 3.39Å |
| 124 | C | 76.8 | Confident | 60 | Low | 12 Ų | 12 | 50.1 Ų | 50.1 | 8% | 0.081 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -116.9 | -35.5 | -167.8 | -58.1 | 0 | 0 | 0 | 0 | 115.3 | C86 Y89 L120 F122 | C86-C124 WeakPolarHBondContact CA-SG 3.43Å; C86-C124 HydrophobicContact CB-CB 3.46Å; C86-C124 VanDerWaalsContact CB-CB 3.46Å; C86-C124 WeakPolarHBondContact CB-SG 3.16Å; C86-C124 VanDerWaalsContact SG-CA 3.54Å; C86-C124 WeakPolarHBondContact SG-CB 3.43Å; C86-C124 CovalentContact SG-SG 2.04Å; C86-C124 PolarHBondContact SG-SG 3.03Å; Y89-C124 HydrophobicContact CD1-CB 3.98Å; L120-C124 WeakPolarHBondContact O-CA 3.43Å; L120-C124 WeakPolarHBondContact O-CB 3.3Å; L120-C124 PolarHBondContact O-N 3.31Å; L120-C124 PolarHBondContact O-SG 3.29Å; F122-C124 VanDerWaalsContact C-N 3.32Å; F122-C124 PolarHBondContact O-N 3.38Å |
| 125 | L | 68 | Low | 58.6 | Low | 28 Ų | 28 | 54.8 Ų | 54.8 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -109.9 | -31.5 | -170.4 | -66.1 | -172.6 | 0 | 0 | 0 | 114.4 | Y89 R90 E93 A121 G127 F128 | Y89-L125 HydrophobicContact CD1-CD1 3.86Å; Y89-L125 HydrophobicContact CD1-CD2 4.32Å; Y89-L125 HydrophobicContact CD1-CG 3.69Å; Y89-L125 HydrophobicContact CE1-CD1 3.36Å; Y89-L125 HydrophobicContact CE1-CG 3.57Å; R90-L125 HydrophobicContact CB-CD2 3.98Å; R90-L125 HydrophobicContact CG-CD2 4.12Å; E93-L125 HydrophobicContact CB-CD1 3.62Å; E93-L125 HydrophobicContact CG-CD1 3.45Å; E93-L125 VanDerWaalsContact CG-CD1 3.45Å; A121-L125 CarbonylContact O-C 3.56Å; A121-L125 WeakPolarHBondContact O-CA 3.33Å; A121-L125 WeakPolarHBondContact O-CB 3.03Å; A121-L125 PolarHBondContact O-N 3.44Å; L125-G127 PolarHBondContact O-N 3.15Å; L125-F128 CarbonylContact O-C 3.1Å; L125-F128 VanDerWaalsContact O-C 3.27Å; L125-F128 WeakPolarHBondContact O-CA 3.01Å; L125-F128 PolarHBondContact O-N 3.42Å |
| 126 | D | 56.4 | Low | 57.5 | Low | 52 Ų | 52 | 60 Ų | 60 | 28% | 0.278 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 16.6 | 173.2 | -77.9 | 6 | 0 | 0 | 0 | 111.7 | A121 F122 S141 R228 | A121-D126 PolarHBondContact O-N 3.44Å; F122-D126 HydrophobicContact CD2-CB 4.49Å; D126-S141 CarbonylContact C-O 3.47Å; D126-S141 CarbonylContact O-C 3.53Å; D126-S141 WeakPolarHBondContact O-CA 3.49Å; D126-S141 WeakPolarHBondContact O-CB 3.26Å; D126-S141 PolarHBondContact O-OG 3.18Å; D126-S141 VanDerWaalsContact O-OG 3.12Å; D126-R228 IonicContact OD2-CZ 3.94Å; D126-R228 IonicContact OD2-NH1 3.04Å; D126-R228 PolarHBondContact OD2-NH1 2.92Å; D126-R228 IonicContact OD2-NH2 3.92Å; D126-R228 PolarHBondContact OD2-NH2 3.18Å |
| 127 | G | 44.9 | Very low | 56 | Low | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -32.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | L125 S141 R142 | L125-G127 PolarHBondContact O-N 3.15Å; G127-S141 VanDerWaalsContact C-C 3.46Å; G127-S141 VanDerWaalsContact C-CB 3.48Å; G127-S141 WeakPolarHBondContact CA-O 3.47Å; G127-S141 PolarHBondContact N-O 3.36Å; G127-S141 CarbonylContact O-C 3.04Å; G127-S141 VanDerWaalsContact O-C 3.28Å; G127-R142 WeakPolarHBondContact O-CA 3.47Å; G127-R142 WeakPolarHBondContact O-CG 3.21Å; G127-R142 PolarHBondContact O-N 3.39Å |
| 128 | F | 34.3 | Very low | 54.2 | Low | 90 Ų | 90 | 69.3 Ų | 69.3 | 40% | 0.395 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -168.3 | 112 | -151.6 | -95.2 | -89.1 | 0 | 0 | 0 | 111.6 | L125 R142 | L125-F128 CarbonylContact O-C 3.1Å; L125-F128 VanDerWaalsContact O-C 3.27Å; L125-F128 WeakPolarHBondContact O-CA 3.01Å; L125-F128 PolarHBondContact O-N 3.42Å; F128-R142 HydrophobicContact CD2-CG 3.98Å; F128-R142 VanDerWaalsContact CE1-NH2 3.32Å; F128-R142 HydrophobicContact CE2-CG 3.67Å; F128-R142 HydrophobicContact CZ-CG 4.15Å; F128-R142 VanDerWaalsContact CZ-NH2 3.28Å |
| 129 | Y | 37.1 | Very low | 52.6 | Low | 200 Ų | 200 | 73.3 Ų | 73.3 | 78% | 0.784 | 38% | 0.377 | S | S | * | . | trans | 80.7 | 95.5 | 166.3 | -61.6 | -82.6 | 0 | 0 | 0 | 118.7 | ||||
| 130 | G | 30.8 | Very low | 51.4 | Low | 34 Ų | 34 | 78.2 Ų | 78.2 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | trans | -104.9 | 120.1 | 130.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | N132 I133 | G130-N132 PolarHBondContact O-N 3.07Å; G130-I133 WeakPolarHBondContact O-CB 3.24Å; G130-I133 WeakPolarHBondContact O-CG1 3.38Å; G130-I133 PolarHBondContact O-N 3.2Å | ||
| 131 | E | 33.6 | Very low | 49.7 | Very low | 177 Ų | 177 | 79 Ų | 79 | 83% | 0.827 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 126.1 | 160 | -78.1 | 178.8 | 141 | 0 | 0 | 107.3 | ||
| 132 | N | 36.6 | Very low | 48.4 | Very low | 170 Ų | 170 | 84.7 Ų | 84.7 | 91% | 0.909 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | 22.3 | -174.8 | -45 | -48.5 | 0 | 0 | 0 | 117.6 | G130 | G130-N132 PolarHBondContact O-N 3.07Š|
| 133 | I | 39.3 | Very low | 47.7 | Very low | 48 Ų | 48 | 89.1 Ų | 89.1 | 25% | 0.246 | 45% | 0.448 | C | S | . | . | trans | -95.6 | 120.6 | 174.7 | -69.2 | -173.8 | 0 | 0 | 0 | 110.7 | G130 Q137 I138 | G130-I133 WeakPolarHBondContact O-CB 3.24Å; G130-I133 WeakPolarHBondContact O-CG1 3.38Å; G130-I133 PolarHBondContact O-N 3.2Å; I133-Q137 HydrophobicContact CD1-CG 4.38Å; I133-Q137 HydrophobicContact CG2-CB 3.23Å; I133-Q137 HydrophobicContact CG2-CG 3.35Å; I133-I138 HydrophobicContact CG2-CG1 4.23Å | ||
| 134 | Q | 41.4 | Very low | 47 | Very low | 162 Ų | 162 | 92.7 Ų | 92.7 | 76% | 0.757 | 46% | 0.46 | S | S | * | . | trans | -54.9 | 149.4 | 173.3 | -74.3 | 169.8 | -8.1 | 0 | 0 | 110.8 | D136 Q137 | Q134-D136 PolarHBondContact O-N 2.78Å; Q134-Q137 PolarHBondContact O-N 3.23Å | ||
| 135 | S | 49.9 | Very low | 46.3 | Very low | 98 Ų | 98 | 94.2 Ų | 94.2 | 69% | 0.685 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -49.1 | -28.8 | -171.4 | 51.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 136 | D | 48.8 | Very low | 46 | Very low | 130 Ų | 130 | 96.8 Ų | 96.8 | 70% | 0.695 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -74.3 | -21.5 | 179.4 | -78.5 | -10.1 | 0 | 0 | 0 | 114.6 | Q134 H140 | Q134-D136 PolarHBondContact O-N 2.78Å; D136-H140 PolarHBondContact O-ND1 3.13Å |
| 137 | Q | 44.5 | Very low | 46.6 | Very low | 106 Ų | 106 | 94.7 Ų | 94.7 | 50% | 0.495 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -97.1 | -13.4 | -176.3 | -179.1 | -176.4 | 18.8 | 0 | 0 | 111.3 | I133 Q134 L139 S141 | I133-Q137 HydrophobicContact CD1-CG 4.38Å; I133-Q137 HydrophobicContact CG2-CB 3.23Å; I133-Q137 HydrophobicContact CG2-CG 3.35Å; Q134-Q137 PolarHBondContact O-N 3.23Å; Q137-L139 VanDerWaalsContact C-N 3.33Å; Q137-S141 PolarHBondContact O-N 2.98Å; Q137-S141 VanDerWaalsContact O-N 3.17Å; Q137-S141 PolarHBondContact O-OG 3Å |
| 138 | I | 45.1 | Very low | 47.8 | Very low | 92 Ų | 92 | 94.8 Ų | 94.8 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | 165.1 | -61.3 | 176.3 | 0 | 0 | 0 | 111.4 | I133 R142 | I133-I138 HydrophobicContact CG2-CG1 4.23Å; I138-R142 PolarHBondContact O-N 3.47Å |
| 139 | L | 44.2 | Very low | 49.8 | Very low | 117 Ų | 117 | 91.2 Ų | 91.2 | 61% | 0.613 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.3 | -49.8 | 178.4 | -165.6 | 73 | 0 | 0 | 0 | 110.4 | Q137 S141 R142 L143 | Q137-L139 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 2.04Å; L139-R142 PolarHBondContact O-N 3Å; L139-L143 HydrophobicContact CG-CD1 3.93Å; L139-L143 WeakPolarHBondContact O-CD1 3.42Å; L139-L143 PolarHBondContact O-N 3.49Å |
| 140 | H | 45.7 | Very low | 51.8 | Low | 108 Ų | 108 | 87.2 Ų | 87.2 | 50% | 0.5 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56.1 | -40 | 177.4 | -79 | 92.3 | 0 | 0 | 0 | 112.1 | D136 L143 Y144 | D136-H140 PolarHBondContact O-ND1 3.13Å; H140-L143 WeakPolarHBondContact O-CB 3.37Å; H140-L143 PolarHBondContact O-N 3.23Å; H140-Y144 HydrophobicContact CB-CE2 4.34Å; H140-Y144 WeakPolarHBondContact O-CD2 3.45Å; H140-Y144 WeakPolarHBondContact O-CE2 3.41Å |
| 141 | S | 45.2 | Very low | 54.1 | Low | 17 Ų | 17 | 87.1 Ų | 87.1 | 12% | 0.119 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.2 | -55.3 | -179.8 | -76.9 | 0 | 0 | 0 | 0 | 111.7 | D126 G127 Q137 L139 L143 Y144 | D126-S141 CarbonylContact C-O 3.47Å; D126-S141 CarbonylContact O-C 3.53Å; D126-S141 WeakPolarHBondContact O-CA 3.49Å; D126-S141 WeakPolarHBondContact O-CB 3.26Å; D126-S141 PolarHBondContact O-OG 3.18Å; D126-S141 VanDerWaalsContact O-OG 3.12Å; G127-S141 VanDerWaalsContact C-C 3.46Å; G127-S141 VanDerWaalsContact C-CB 3.48Å; G127-S141 WeakPolarHBondContact CA-O 3.47Å; G127-S141 PolarHBondContact N-O 3.36Å; G127-S141 CarbonylContact O-C 3.04Å; G127-S141 VanDerWaalsContact O-C 3.28Å; Q137-S141 PolarHBondContact O-N 2.98Å; Q137-S141 VanDerWaalsContact O-N 3.17Å; Q137-S141 PolarHBondContact O-OG 3Å; L139-S141 PolarHBondContact O-N 2.04Å; S141-L143 PolarHBondContact O-N 3.01Å; S141-Y144 PolarHBondContact O-N 3.27Å |
| 142 | R | 52.2 | Low | 56.3 | Low | 127 Ų | 127 | 79 Ų | 79 | 48% | 0.479 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -54.8 | -30.7 | -180 | -76.4 | -173.2 | 173 | -161.7 | 2.3 | 113.4 | G127 F128 I138 L139 Y144 L146 | G127-R142 WeakPolarHBondContact O-CA 3.47Å; G127-R142 WeakPolarHBondContact O-CG 3.21Å; G127-R142 PolarHBondContact O-N 3.39Å; F128-R142 HydrophobicContact CD2-CG 3.98Å; F128-R142 VanDerWaalsContact CE1-NH2 3.32Å; F128-R142 HydrophobicContact CE2-CG 3.67Å; F128-R142 HydrophobicContact CZ-CG 4.15Å; F128-R142 VanDerWaalsContact CZ-NH2 3.28Å; I138-R142 PolarHBondContact O-N 3.47Å; L139-R142 PolarHBondContact O-N 3Å; R142-Y144 VanDerWaalsContact C-N 3.29Å; R142-Y144 PolarHBondContact O-N 2.95Å; R142-L146 WeakPolarHBondContact O-CB 3.42Å; R142-L146 WeakPolarHBondContact O-CD1 3.35Å; R142-L146 VanDerWaalsContact O-CG 3.23Å; R142-L146 WeakPolarHBondContact O-CG 3.46Å; R142-L146 PolarHBondContact O-N 3.01Å |
| 143 | L | 53.6 | Low | 58.6 | Low | 96 Ų | 96 | 75.9 Ų | 75.9 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.5 | -32.1 | 176.8 | -94.5 | 98.3 | 0 | 0 | 0 | 113.3 | L139 H140 S141 G147 | L139-L143 HydrophobicContact CG-CD1 3.93Å; L139-L143 WeakPolarHBondContact O-CD1 3.42Å; L139-L143 PolarHBondContact O-N 3.49Å; H140-L143 WeakPolarHBondContact O-CB 3.37Å; H140-L143 PolarHBondContact O-N 3.23Å; S141-L143 PolarHBondContact O-N 3.01Å; L143-G147 WeakPolarHBondContact O-CA 3.42Å; L143-G147 PolarHBondContact O-N 3.33Å |
| 144 | Y | 58.3 | Low | 61 | Low | 82 Ų | 82 | 74.8 Ų | 74.8 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -76.7 | -45.7 | -173.5 | -63.3 | -64.6 | 0 | 0 | 0 | 113.7 | F122 H140 S141 R142 L146 G147 M148 H221 | F122-Y144 AromaticContact CE2-CD1 3.76Å; F122-Y144 HydrophobicContact CE2-CD1 3.76Å; F122-Y144 HydrophobicContact CE2-CD2 4.26Å; F122-Y144 HydrophobicContact CE2-CE1 4.21Å; F122-Y144 AromaticContact CE2-CG 3.79Å; F122-Y144 HydrophobicContact CE2-CG 3.79Å; F122-Y144 AromaticContact CZ-CD1 3.5Å; F122-Y144 HydrophobicContact CZ-CD1 3.5Å; F122-Y144 VanDerWaalsContact CZ-CD1 3.5Å; F122-Y144 HydrophobicContact CZ-CE1 4.12Å; F122-Y144 AromaticContact CZ-CG 3.87Å; F122-Y144 HydrophobicContact CZ-CG 3.87Å; H140-Y144 HydrophobicContact CB-CE2 4.34Å; H140-Y144 WeakPolarHBondContact O-CD2 3.45Å; H140-Y144 WeakPolarHBondContact O-CE2 3.41Å; S141-Y144 PolarHBondContact O-N 3.27Å; R142-Y144 VanDerWaalsContact C-N 3.29Å; R142-Y144 PolarHBondContact O-N 2.95Å; Y144-L146 VanDerWaalsContact C-N 3.32Å; Y144-L146 PolarHBondContact O-N 3.47Å; Y144-G147 PolarHBondContact O-N 2.81Å; Y144-M148 PolarHBondContact O-N 3.23Å; Y144-H221 AromaticContact CD1-CD2 3.72Å; Y144-H221 AromaticContact CD1-NE2 3.61Å; Y144-H221 PolarHBondContact O-CD2 3.1Å |
| 145 | F | 62.9 | Low | 63 | Low | 43 Ų | 43 | 67.2 Ų | 67.2 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 172.2 | 173.4 | -108.4 | 0 | 0 | 0 | 110.7 | F82 V83 C86 A123 G147 M148 L149 | F82-F145 HydrophobicContact CD1-CE2 4.22Å; F82-F145 AromaticContact CE1-CD2 3.94Å; F82-F145 HydrophobicContact CE1-CD2 3.94Å; F82-F145 AromaticContact CE1-CE2 3.68Å; F82-F145 HydrophobicContact CE1-CE2 3.68Å; V83-F145 HydrophobicContact CG2-CZ 4.4Å; C86-F145 HydrophobicContact CB-CE2 3.95Å; A123-F145 VanDerWaalsContact O-CD2 3.29Å; A123-F145 WeakPolarHBondContact O-CD2 3.39Å; F145-G147 VanDerWaalsContact C-N 3.3Å; F145-G147 PolarHBondContact O-N 3.48Å; F145-M148 PolarHBondContact O-N 2.92Å; F145-L149 HydrophobicContact CD1-CD1 3.74Å; F145-L149 HydrophobicContact CD2-CD1 4.41Å; F145-L149 HydrophobicContact CD2-CG 4.48Å; F145-L149 HydrophobicContact CE1-CD1 3.19Å; F145-L149 HydrophobicContact CE1-CG 4.19Å; F145-L149 HydrophobicContact CE2-CD1 3.95Å; F145-L149 HydrophobicContact CE2-CG 4.14Å; F145-L149 HydrophobicContact CG-CD1 4.35Å; F145-L149 HydrophobicContact CZ-CD1 3.32Å; F145-L149 HydrophobicContact CZ-CG 4.01Å; F145-L149 WeakPolarHBondContact O-CB 3.3Å; F145-L149 WeakPolarHBondContact O-CG 3.03Å; F145-L149 PolarHBondContact O-N 2.87Å |
| 146 | L | 61.9 | Low | 64.6 | Low | 83 Ų | 83 | 64 Ų | 64 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | 174.9 | -70.2 | 174 | 0 | 0 | 0 | 111.6 | R142 Y144 L149 N150 | R142-L146 WeakPolarHBondContact O-CB 3.42Å; R142-L146 WeakPolarHBondContact O-CD1 3.35Å; R142-L146 VanDerWaalsContact O-CG 3.23Å; R142-L146 WeakPolarHBondContact O-CG 3.46Å; R142-L146 PolarHBondContact O-N 3.01Å; Y144-L146 VanDerWaalsContact C-N 3.32Å; Y144-L146 PolarHBondContact O-N 3.47Å; L146-L149 PolarHBondContact O-N 3.49Å; L146-N150 WeakPolarHBondContact O-CA 3.42Å; L146-N150 WeakPolarHBondContact O-CB 3.4Å; L146-N150 PolarHBondContact O-N 2.98Å; L146-N150 PolarHBondContact O-ND2 3.13Å; L146-N150 PolarHBondContact O-OD1 3.38Å |
| 147 | G | 67.4 | Low | 66.4 | Low | 8 Ų | 8 | 65.5 Ų | 65.5 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L143 Y144 F145 N151 | L143-G147 WeakPolarHBondContact O-CA 3.42Å; L143-G147 PolarHBondContact O-N 3.33Å; Y144-G147 PolarHBondContact O-N 2.81Å; F145-G147 VanDerWaalsContact C-N 3.3Å; F145-G147 PolarHBondContact O-N 3.48Å; G147-N151 WeakPolarHBondContact O-CB 3.44Å; G147-N151 PolarHBondContact O-N 3.39Å; G147-N151 VanDerWaalsContact O-N 3.14Å; G147-N151 PolarHBondContact O-ND2 3.17Å |
| 148 | M | 71.6 | Confident | 68.4 | Low | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 171.7 | -73.9 | -66.1 | -69.5 | 0 | 0 | 111.6 | W71 F82 Y144 F145 W152 L155 H221 | W71-M148 HydrophobicContact CH2-CE 4.22Å; W71-M148 HydrophobicContact CZ3-CE 4.12Å; F82-M148 HydrophobicContact CE1-CB 4.47Å; F82-M148 HydrophobicContact CZ-CB 4.26Å; Y144-M148 PolarHBondContact O-N 3.23Å; F145-M148 PolarHBondContact O-N 2.92Å; M148-W152 WeakPolarHBondContact O-CA 3.33Å; M148-W152 PolarHBondContact O-N 3.32Å; M148-L155 HydrophobicContact CE-CD1 4.23Å; M148-L155 HydrophobicContact SD-CD1 4.01Å; M148-H221 HydrophobicContact CG-CB 4.24Å; M148-H221 HydrophobicContact SD-CB 3.78Å |
| 149 | L | 75.9 | Confident | 70.1 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -35.3 | 178.6 | -83.6 | -177.3 | 0 | 0 | 0 | 114.4 | K79 F82 V83 F145 L146 W152 | K79-L149 HydrophobicContact CD-CD2 4.39Å; K79-L149 WeakPolarHBondContact CE-O 3.33Å; K79-L149 HydrophobicContact CG-CD2 3.71Å; K79-L149 PolarHBondContact NZ-O 3.12Å; F82-L149 HydrophobicContact CD1-CD2 3.49Å; F82-L149 VanDerWaalsContact CD1-CD2 3.49Å; F82-L149 HydrophobicContact CD1-CG 4.12Å; F82-L149 HydrophobicContact CE1-CD2 3.97Å; F82-L149 HydrophobicContact CE1-CG 4.08Å; V83-L149 HydrophobicContact CG2-CD2 4.06Å; F145-L149 HydrophobicContact CD1-CD1 3.74Å; F145-L149 HydrophobicContact CD2-CD1 4.41Å; F145-L149 HydrophobicContact CD2-CG 4.48Å; F145-L149 HydrophobicContact CE1-CD1 3.19Å; F145-L149 HydrophobicContact CE1-CG 4.19Å; F145-L149 HydrophobicContact CE2-CD1 3.95Å; F145-L149 HydrophobicContact CE2-CG 4.14Å; F145-L149 HydrophobicContact CG-CD1 4.35Å; F145-L149 HydrophobicContact CZ-CD1 3.32Å; F145-L149 HydrophobicContact CZ-CG 4.01Å; F145-L149 WeakPolarHBondContact O-CB 3.3Å; F145-L149 WeakPolarHBondContact O-CG 3.03Å; F145-L149 PolarHBondContact O-N 2.87Å; L146-L149 PolarHBondContact O-N 3.49Å; L149-W152 WeakPolarHBondContact O-CB 3.04Å |
| 150 | N | 78.7 | Confident | 71.9 | Confident | 116 Ų | 116 | 54.9 Ų | 54.9 | 62% | 0.62 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -73.6 | -34.5 | -179 | -73.5 | -16.1 | 0 | 0 | 0 | 110.7 | L146 | L146-N150 WeakPolarHBondContact O-CA 3.42Å; L146-N150 WeakPolarHBondContact O-CB 3.4Å; L146-N150 PolarHBondContact O-N 2.98Å; L146-N150 PolarHBondContact O-ND2 3.13Å; L146-N150 PolarHBondContact O-OD1 3.38Å |
| 151 | N | 79.2 | Confident | 73.8 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -93.3 | 1.7 | 177.8 | -66.7 | -70.6 | 0 | 0 | 0 | 113.1 | G147 D153 C154 L155 C214 A218 | G147-N151 WeakPolarHBondContact O-CB 3.44Å; G147-N151 PolarHBondContact O-N 3.39Å; G147-N151 VanDerWaalsContact O-N 3.14Å; G147-N151 PolarHBondContact O-ND2 3.17Å; N151-D153 PolarHBondContact O-N 3.42Å; N151-C154 WeakPolarHBondContact O-CA 3.1Å; N151-C154 WeakPolarHBondContact O-CB 3.03Å; N151-C154 PolarHBondContact O-N 3.34Å; N151-L155 HydrophobicContact CB-CD1 3.98Å; N151-L155 HydrophobicContact CB-CG 4.06Å; N151-L155 WeakPolarHBondContact O-CG 3.21Å; N151-L155 PolarHBondContact O-N 2.93Å; N151-C214 PolarHBondContact OD1-O 3.37Å; N151-A218 HydrophobicContact CB-CB 3.91Å |
| 152 | W | 80.7 | Confident | 75.8 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -50.7 | -56.9 | -170.4 | -173.4 | -96.2 | 0 | 0 | 0 | 112.7 | L74 T77 K79 F82 M148 L149 C154 L155 I156 | L74-W152 HydrophobicContact CB-CH2 3.85Å; L74-W152 HydrophobicContact CD1-CH2 4.43Å; L74-W152 HydrophobicContact CD1-CZ3 4.46Å; L74-W152 HydrophobicContact CD2-CH2 3.54Å; L74-W152 HydrophobicContact CD2-CZ3 4.11Å; L74-W152 HydrophobicContact CG-CH2 4.07Å; T77-W152 PolarHBondContact O-NE1 3.44Å; T77-W152 WeakPolarHBondContact OG1-CZ2 3.28Å; K79-W152 HydrophobicContact CB-CG 4.41Å; F82-W152 HydrophobicContact CB-CD2 4.41Å; F82-W152 HydrophobicContact CB-CE3 4.23Å; F82-W152 HydrophobicContact CB-CH2 3.62Å; F82-W152 HydrophobicContact CB-CZ2 3.8Å; F82-W152 HydrophobicContact CB-CZ3 3.86Å; F82-W152 HydrophobicContact CD1-CE3 4.24Å; F82-W152 HydrophobicContact CD1-CZ3 4.14Å; F82-W152 HydrophobicContact CD2-CE3 4.06Å; F82-W152 AromaticContact CD2-CH2 3.38Å; F82-W152 HydrophobicContact CD2-CH2 3.38Å; F82-W152 HydrophobicContact CD2-CZ2 4.39Å; F82-W152 AromaticContact CD2-CZ3 3.17Å; F82-W152 HydrophobicContact CD2-CZ3 3.17Å; F82-W152 HydrophobicContact CE2-CE3 4.49Å; F82-W152 HydrophobicContact CE2-CH2 4.24Å; F82-W152 AromaticContact CE2-CZ3 3.65Å; F82-W152 HydrophobicContact CE2-CZ3 3.65Å; F82-W152 AromaticContact CG-CE3 3.91Å; F82-W152 HydrophobicContact CG-CE3 3.91Å; F82-W152 AromaticContact CG-CH2 3.68Å; F82-W152 HydrophobicContact CG-CH2 3.68Å; F82-W152 HydrophobicContact CG-CZ2 4.32Å; F82-W152 AromaticContact CG-CZ3 3.44Å; F82-W152 HydrophobicContact CG-CZ3 3.44Å; F82-W152 VanDerWaalsContact CG-CZ3 3.44Å; F82-W152 HydrophobicContact CZ-CZ3 4.29Å; M148-W152 WeakPolarHBondContact O-CA 3.33Å; M148-W152 PolarHBondContact O-N 3.32Å; L149-W152 WeakPolarHBondContact O-CB 3.04Å; W152-C154 PolarHBondContact O-N 2.9Å; W152-L155 PolarHBondContact O-N 3.4Å; W152-L155 VanDerWaalsContact O-N 3.13Å; W152-I156 HydrophobicContact CD2-CG1 4.39Å; W152-I156 HydrophobicContact CG-CG1 4.48Å; W152-I156 HydrophobicContact CH2-CD1 4.39Å; W152-I156 HydrophobicContact CZ2-CD1 3.85Å; W152-I156 HydrophobicContact CZ2-CG1 4.31Å; W152-I156 WeakPolarHBondContact O-CG1 3.32Å; W152-I156 PolarHBondContact O-N 2.7Å |
| 153 | D | 84.7 | Confident | 77.5 | Confident | 106 Ų | 106 | 52.6 Ų | 52.6 | 57% | 0.567 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.1 | -30.5 | -177.1 | -60 | -36.5 | 0 | 0 | 0 | 112.8 | N151 R157 | N151-D153 PolarHBondContact O-N 3.42Å; D153-R157 WeakPolarHBondContact O-CB 3.48Å; D153-R157 PolarHBondContact O-N 3.44Å |
| 154 | C | 88.4 | Confident | 78.9 | Confident | 24 Ų | 24 | 48 Ų | 48 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.4 | -47.7 | 174.5 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | N151 W152 I156 R157 V158 Q213 C214 | N151-C154 WeakPolarHBondContact O-CA 3.1Å; N151-C154 WeakPolarHBondContact O-CB 3.03Å; N151-C154 PolarHBondContact O-N 3.34Å; W152-C154 PolarHBondContact O-N 2.9Å; C154-I156 PolarHBondContact O-N 2.91Å; C154-R157 WeakPolarHBondContact O-CB 3.49Å; C154-R157 PolarHBondContact O-N 3.24Å; C154-R157 VanDerWaalsContact O-N 3.15Å; C154-V158 WeakPolarHBondContact O-CG2 3.36Å; C154-V158 PolarHBondContact O-N 2.91Å; C154-Q213 PolarHBondContact SG-O 3.07Å; C154-C214 HydrophobicContact CB-CB 3.9Å; C154-C214 WeakPolarHBondContact CB-SG 3.1Å; C154-C214 WeakPolarHBondContact SG-CA 3.43Å; C154-C214 WeakPolarHBondContact SG-CB 3.37Å; C154-C214 PolarHBondContact SG-N 3.34Å; C154-C214 CovalentContact SG-SG 2.04Å; C154-C214 PolarHBondContact SG-SG 2.88Å |
| 155 | L | 84.6 | Confident | 80 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 179.6 | -72.1 | 173 | 0 | 0 | 0 | 111.1 | M148 N151 W152 R157 V158 L159 I210 A218 V222 | M148-L155 HydrophobicContact CE-CD1 4.23Å; M148-L155 HydrophobicContact SD-CD1 4.01Å; N151-L155 HydrophobicContact CB-CD1 3.98Å; N151-L155 HydrophobicContact CB-CG 4.06Å; N151-L155 WeakPolarHBondContact O-CG 3.21Å; N151-L155 PolarHBondContact O-N 2.93Å; W152-L155 PolarHBondContact O-N 3.4Å; W152-L155 VanDerWaalsContact O-N 3.13Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 3.36Å; L155-V158 PolarHBondContact O-N 3.21Å; L155-L159 WeakPolarHBondContact O-CB 3.49Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.28Å; L155-I210 HydrophobicContact CD2-CG2 3.97Å; L155-A218 HydrophobicContact CD2-CB 4.27Å; L155-V222 HydrophobicContact CD1-CG2 4.37Å; L155-V222 HydrophobicContact CD2-CG2 3.68Å |
| 156 | I | 83.7 | Confident | 81.1 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 16% | 0.159 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 175.8 | -62.9 | -56.7 | 0 | 0 | 0 | 110.8 | L74 W152 C154 V158 L159 T160 | L74-I156 WeakPolarHBondContact O-CD1 3.38Å; W152-I156 HydrophobicContact CD2-CG1 4.39Å; W152-I156 HydrophobicContact CG-CG1 4.48Å; W152-I156 HydrophobicContact CH2-CD1 4.39Å; W152-I156 HydrophobicContact CZ2-CD1 3.85Å; W152-I156 HydrophobicContact CZ2-CG1 4.31Å; W152-I156 WeakPolarHBondContact O-CG1 3.32Å; W152-I156 PolarHBondContact O-N 2.7Å; C154-I156 PolarHBondContact O-N 2.91Å; I156-V158 PolarHBondContact O-N 3Å; I156-L159 PolarHBondContact O-N 2.83Å; I156-T160 WeakPolarHBondContact O-CG2 3.47Å; I156-T160 PolarHBondContact O-N 2.98Å; I156-T160 PolarHBondContact O-OG1 3.36Å |
| 157 | R | 86.7 | Confident | 82.2 | Confident | 160 Ų | 160 | 45.7 Ų | 45.7 | 60% | 0.604 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -58.8 | -47.4 | 177.9 | -168.6 | -172.8 | -47 | 173.9 | 7.1 | 111.8 | D153 C154 L155 T160 M161 | D153-R157 WeakPolarHBondContact O-CB 3.48Å; D153-R157 PolarHBondContact O-N 3.44Å; C154-R157 WeakPolarHBondContact O-CB 3.49Å; C154-R157 PolarHBondContact O-N 3.24Å; C154-R157 VanDerWaalsContact O-N 3.15Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 3.36Å; R157-T160 PolarHBondContact O-N 3.38Å; R157-T160 PolarHBondContact O-OG1 3.31Å; R157-M161 PolarHBondContact O-N 3.29Å |
| 158 | V | 86.2 | Confident | 82.7 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 178 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | C154 L155 I156 T160 M161 V164 P209 I210 Q213 | C154-V158 WeakPolarHBondContact O-CG2 3.36Å; C154-V158 PolarHBondContact O-N 2.91Å; L155-V158 PolarHBondContact O-N 3.21Å; I156-V158 PolarHBondContact O-N 3Å; V158-T160 PolarHBondContact O-N 2.82Å; V158-M161 HydrophobicContact CB-SD 4.44Å; V158-M161 HydrophobicContact CG1-SD 4.39Å; V158-M161 HydrophobicContact CG2-SD 4.36Å; V158-M161 WeakPolarHBondContact O-CB 3.37Å; V158-M161 WeakPolarHBondContact O-CG 3.47Å; V158-M161 PolarHBondContact O-N 2.03Å; V158-V164 HydrophobicContact CG1-CG2 4.01Å; V158-V164 VanDerWaalsContact O-CG2 3.29Å; V158-V164 WeakPolarHBondContact O-CG2 3.44Å; V158-P209 HydrophobicContact CG1-CB 3.61Å; V158-I210 HydrophobicContact CG1-CG1 3.67Å; V158-Q213 HydrophobicContact CG2-CB 3.51Å; V158-Q213 HydrophobicContact CG2-CG 3.9Å |
| 159 | L | 81.5 | Confident | 83 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -26.2 | 179.8 | -68.9 | 170.5 | 0 | 0 | 0 | 112.5 | W71 R75 L155 I156 M161 V164 | W71-L159 HydrophobicContact CE3-CD1 3.92Å; R75-L159 WeakPolarHBondContact CD-O 3.49Å; R75-L159 HydrophobicContact CG-CB 3.45Å; R75-L159 VanDerWaalsContact CG-CB 3.45Å; R75-L159 HydrophobicContact CG-CD1 4.16Å; R75-L159 HydrophobicContact CG-CG 4.42Å; R75-L159 PolarHBondContact NH1-O 2.9Å; L155-L159 WeakPolarHBondContact O-CB 3.49Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.28Å; I156-L159 PolarHBondContact O-N 2.83Å; L159-M161 VanDerWaalsContact C-N 3.33Å; L159-V164 HydrophobicContact CD2-CG1 4.2Å |
| 160 | T | 81.3 | Confident | 83.2 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 52% | 0.515 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5 | 173.3 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | I156 R157 V158 | I156-T160 WeakPolarHBondContact O-CG2 3.47Å; I156-T160 PolarHBondContact O-N 2.98Å; I156-T160 PolarHBondContact O-OG1 3.36Å; R157-T160 PolarHBondContact O-N 3.38Å; R157-T160 PolarHBondContact O-OG1 3.31Å; V158-T160 PolarHBondContact O-N 2.82Å |
| 161 | M | 86.1 | Confident | 83.1 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 27% | 0.271 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -67 | 143.3 | 177 | -67.1 | 175.3 | 58.9 | 0 | 0 | 111 | R157 V158 L159 E163 V164 T165 | R157-M161 PolarHBondContact O-N 3.29Å; V158-M161 HydrophobicContact CB-SD 4.44Å; V158-M161 HydrophobicContact CG1-SD 4.39Å; V158-M161 HydrophobicContact CG2-SD 4.36Å; V158-M161 WeakPolarHBondContact O-CB 3.37Å; V158-M161 WeakPolarHBondContact O-CG 3.47Å; V158-M161 PolarHBondContact O-N 2.03Å; L159-M161 VanDerWaalsContact C-N 3.33Å; M161-E163 PolarHBondContact O-N 3.43Å; M161-V164 PolarHBondContact O-N 3.16Å; M161-T165 PolarHBondContact O-N 3.44Å; M161-T165 VanDerWaalsContact O-N 3.1Å; M161-T165 PolarHBondContact O-OG1 3.04Å |
| 162 | G | 87 | Confident | 82.6 | Confident | 58 Ų | 58 | 49.2 Ų | 49.2 | 60% | 0.598 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -57.7 | -35.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T165 E166 | G162-T165 WeakPolarHBondContact O-CB 3.48Å; G162-T165 PolarHBondContact O-N 3.28Å; G162-E166 WeakPolarHBondContact O-CB 3.24Å; G162-E166 PolarHBondContact O-N 3.38Å |
| 163 | E | 86.4 | Confident | 82.2 | Confident | 91 Ų | 91 | 56 Ų | 56 | 43% | 0.425 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 177 | -174.8 | 178.7 | -176.5 | 0 | 0 | 112.4 | M161 E166 C167 P209 | M161-E163 PolarHBondContact O-N 3.43Å; E163-E166 WeakPolarHBondContact O-CB 2.95Å; E163-E166 PolarHBondContact O-N 2.98Å; E163-C167 PolarHBondContact O-N 3.45Å; E163-C167 PolarHBondContact O-SG 3.25Å; E163-P209 HydrophobicContact CG-CG 4.19Å |
| 164 | V | 83.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | V158 L159 M161 E166 C167 E168 I206 P209 | V158-V164 HydrophobicContact CG1-CG2 4.01Å; V158-V164 VanDerWaalsContact O-CG2 3.29Å; V158-V164 WeakPolarHBondContact O-CG2 3.44Å; L159-V164 HydrophobicContact CD2-CG1 4.2Å; M161-V164 PolarHBondContact O-N 3.16Å; V164-E166 PolarHBondContact O-N 2.88Å; V164-C167 VanDerWaalsContact O-CB 3.26Å; V164-C167 WeakPolarHBondContact O-CB 3.29Å; V164-C167 PolarHBondContact O-N 2.96Å; V164-C167 VanDerWaalsContact O-N 3.1Å; V164-E168 WeakPolarHBondContact O-CG 3.38Å; V164-E168 PolarHBondContact O-N 3.26Å; V164-E168 VanDerWaalsContact O-N 3.09Å; V164-I206 HydrophobicContact CB-CG2 4.5Å; V164-I206 HydrophobicContact CG1-CG2 3.86Å; V164-I206 HydrophobicContact CG2-CG2 4.33Å; V164-P209 HydrophobicContact CG2-CB 4.04Å; V164-P209 HydrophobicContact CG2-CG 4.23Å |
| 165 | T | 82.3 | Confident | 80.2 | Confident | 54 Ų | 54 | 52.6 Ų | 52.6 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -35.2 | 174.5 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | M161 G162 E168 N169 | M161-T165 PolarHBondContact O-N 3.44Å; M161-T165 VanDerWaalsContact O-N 3.1Å; M161-T165 PolarHBondContact O-OG1 3.04Å; G162-T165 WeakPolarHBondContact O-CB 3.48Å; G162-T165 PolarHBondContact O-N 3.28Å; T165-E168 PolarHBondContact O-N 3.25Å; T165-N169 VanDerWaalsContact O-CG 3.3Å; T165-N169 PolarHBondContact O-N 3.31Å; T165-N169 PolarHBondContact O-ND2 2.72Å |
| 166 | E | 86 | Confident | 79.1 | Confident | 105 Ų | 105 | 59 Ų | 59 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 174.2 | -162.9 | -172.7 | 160.3 | 0 | 0 | 112.1 | G162 E163 V164 E168 N169 R170 | G162-E166 WeakPolarHBondContact O-CB 3.24Å; G162-E166 PolarHBondContact O-N 3.38Å; E163-E166 WeakPolarHBondContact O-CB 2.95Å; E163-E166 PolarHBondContact O-N 2.98Å; V164-E166 PolarHBondContact O-N 2.88Å; E166-E168 VanDerWaalsContact C-N 3.27Å; E166-E168 PolarHBondContact O-N 3.45Å; E166-N169 PolarHBondContact O-N 3.48Å; E166-R170 PolarHBondContact O-N 3.09Å; E166-R170 IonicContact OE1-CZ 3.05Å; E166-R170 IonicContact OE1-NH1 2.63Å; E166-R170 PolarHBondContact OE1-NH1 3.33Å; E166-R170 IonicContact OE2-NH1 2.66Å |
| 167 | C | 85.2 | Confident | 77.9 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.4 | -43.9 | 172.5 | -58 | 0 | 0 | 0 | 0 | 111.7 | E163 V164 R170 M171 F202 C205 I206 | E163-C167 PolarHBondContact O-N 3.45Å; E163-C167 PolarHBondContact O-SG 3.25Å; V164-C167 VanDerWaalsContact O-CB 3.26Å; V164-C167 WeakPolarHBondContact O-CB 3.29Å; V164-C167 PolarHBondContact O-N 2.96Å; V164-C167 VanDerWaalsContact O-N 3.1Å; C167-R170 PolarHBondContact O-N 2.73Å; C167-M171 PolarHBondContact O-N 3.23Å; C167-F202 HydrophobicContact CB-CD2 3.9Å; C167-F202 HydrophobicContact CB-CE2 4.14Å; C167-C205 VanDerWaalsContact CA-SG 3.56Å; C167-C205 HydrophobicContact CB-CB 3.61Å; C167-C205 WeakPolarHBondContact CB-SG 3.24Å; C167-C205 VanDerWaalsContact SG-C 3.51Å; C167-C205 WeakPolarHBondContact SG-CB 2.94Å; C167-C205 CovalentContact SG-SG 2.02Å; C167-C205 PolarHBondContact SG-SG 2.95Å; C167-I206 HydrophobicContact CB-CG2 3.95Å |
| 168 | E | 76.6 | Confident | 76.2 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68 | -42.4 | 179.7 | -66.8 | 174.8 | 160.9 | 0 | 0 | 112.1 | R75 V164 T165 E166 R170 M171 A172 F202 | R75-E168 IonicContact CZ-OE1 2.63Å; R75-E168 IonicContact CZ-OE2 3.33Å; R75-E168 VanDerWaalsContact CZ-OE2 3.26Å; R75-E168 VanDerWaalsContact NH1-CD 3.29Å; R75-E168 IonicContact NH1-OE1 3.02Å; R75-E168 PolarHBondContact NH1-OE1 2.71Å; R75-E168 IonicContact NH1-OE2 2.61Å; R75-E168 PolarHBondContact NH1-OE2 3.18Å; R75-E168 IonicContact NH2-OE1 2.83Å; R75-E168 PolarHBondContact NH2-OE1 2.95Å; R75-E168 IonicContact NH2-OE2 3.6Å; R75-E168 PolarHBondContact NH2-OE2 2.61Å; V164-E168 WeakPolarHBondContact O-CG 3.38Å; V164-E168 PolarHBondContact O-N 3.26Å; V164-E168 VanDerWaalsContact O-N 3.09Å; T165-E168 PolarHBondContact O-N 3.25Å; E166-E168 VanDerWaalsContact C-N 3.27Å; E166-E168 PolarHBondContact O-N 3.45Å; E168-R170 VanDerWaalsContact C-N 3.3Å; E168-R170 PolarHBondContact O-N 2.91Å; E168-M171 PolarHBondContact O-N 3.42Å; E168-A172 VanDerWaalsContact O-CB 3.24Å; E168-A172 WeakPolarHBondContact O-CB 3.01Å; E168-A172 PolarHBondContact O-N 3.44Å; E168-F202 HydrophobicContact CB-CE2 4.47Å; E168-F202 HydrophobicContact CG-CD2 4.17Å; E168-F202 HydrophobicContact CG-CE2 3.39Å; E168-F202 HydrophobicContact CG-CZ 4.03Å |
| 169 | N | 79.1 | Confident | 74.3 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.4 | -36.4 | 175.9 | -73.6 | -42.5 | 0 | 0 | 0 | 112.1 | T165 E166 K173 | T165-N169 VanDerWaalsContact O-CG 3.3Å; T165-N169 PolarHBondContact O-N 3.31Å; T165-N169 PolarHBondContact O-ND2 2.72Å; E166-N169 PolarHBondContact O-N 3.48Å; N169-K173 WeakPolarHBondContact O-CB 3.27Å; N169-K173 PolarHBondContact O-N 2.94Å |
| 170 | R | 79 | Confident | 72.9 | Confident | 99 Ų | 99 | 60.2 Ų | 60.2 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.7 | -54.4 | 172.5 | -78.9 | -171.1 | -76.5 | -101.8 | -5.1 | 111.1 | E166 C167 E168 A172 K173 D174 C205 | E166-R170 PolarHBondContact O-N 3.09Å; E166-R170 IonicContact OE1-CZ 3.05Å; E166-R170 IonicContact OE1-NH1 2.63Å; E166-R170 PolarHBondContact OE1-NH1 3.33Å; E166-R170 IonicContact OE2-NH1 2.66Å; C167-R170 PolarHBondContact O-N 2.73Å; E168-R170 VanDerWaalsContact C-N 3.3Å; E168-R170 PolarHBondContact O-N 2.91Å; R170-A172 PolarHBondContact O-N 2.66Å; R170-K173 WeakPolarHBondContact O-CB 3.34Å; R170-K173 PolarHBondContact O-N 2.8Å; R170-D174 VanDerWaalsContact O-CG 3.26Å; R170-D174 PolarHBondContact O-N 3.31Å; R170-C205 PolarHBondContact NH2-SG 2.91Å |
| 171 | M | 76.2 | Confident | 71.3 | Confident | 25 Ų | 25 | 62 Ų | 62 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -52.1 | -45.6 | 176.3 | -176 | -175.3 | 66.2 | 0 | 0 | 111.6 | L69 C167 E168 K173 D174 A175 A198 L199 F202 | L69-M171 HydrophobicContact CD1-CE 3.67Å; C167-M171 PolarHBondContact O-N 3.23Å; E168-M171 PolarHBondContact O-N 3.42Å; M171-K173 PolarHBondContact O-N 2.99Å; M171-D174 PolarHBondContact O-N 2.97Å; M171-A175 WeakPolarHBondContact O-CB 3.48Å; M171-A175 PolarHBondContact O-N 2.86Å; M171-A198 HydrophobicContact CG-CB 4.2Å; M171-L199 HydrophobicContact SD-CD1 4.41Å; M171-F202 HydrophobicContact CB-CB 3.97Å; M171-F202 HydrophobicContact CB-CD2 4.46Å; M171-F202 HydrophobicContact CB-CG 4.42Å; M171-F202 HydrophobicContact CE-CG 4.35Å; M171-F202 HydrophobicContact CG-CB 3.95Å; M171-F202 HydrophobicContact CG-CG 4.46Å; M171-F202 HydrophobicContact SD-CB 3.48Å; M171-F202 WeakPolarHBondContact SD-CB 3.21Å; M171-F202 HydrophobicContact SD-CD1 3.77Å; M171-F202 HydrophobicContact SD-CD2 4.18Å; M171-F202 HydrophobicContact SD-CG 3.52Å; M171-F202 VanDerWaalsContact SD-CG 3.52Å |
| 172 | A | 69.1 | Low | 69.4 | Low | 12 Ų | 12 | 60.5 Ų | 60.5 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L7 I8 E168 R170 K176 | L7-A172 HydrophobicContact CD1-CB 3.73Å; L7-A172 HydrophobicContact CD2-CB 3.15Å; L7-A172 HydrophobicContact CG-CB 3.67Å; I8-A172 WeakPolarHBondContact CD1-O 3.37Å; E168-A172 VanDerWaalsContact O-CB 3.24Å; E168-A172 WeakPolarHBondContact O-CB 3.01Å; E168-A172 PolarHBondContact O-N 3.44Å; R170-A172 PolarHBondContact O-N 2.66Å; A172-K176 WeakPolarHBondContact O-CB 3.22Å; A172-K176 PolarHBondContact O-N 2.79Å; A172-K176 VanDerWaalsContact O-N 3.12Å |
| 173 | K | 72.7 | Confident | 67.3 | Low | 146 Ų | 146 | 66 Ų | 66 | 64% | 0.635 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65 | -47.2 | 179.7 | -175.2 | -175.9 | 176.4 | -171 | 0 | 110.8 | N169 R170 M171 K176 V177 | N169-K173 WeakPolarHBondContact O-CB 3.27Å; N169-K173 PolarHBondContact O-N 2.94Å; R170-K173 WeakPolarHBondContact O-CB 3.34Å; R170-K173 PolarHBondContact O-N 2.8Å; M171-K173 PolarHBondContact O-N 2.99Å; K173-K176 PolarHBondContact O-N 3.02Å; K173-V177 VanDerWaalsContact O-CG2 3.3Å; K173-V177 WeakPolarHBondContact O-CG2 3.38Å; K173-V177 PolarHBondContact O-N 2.61Å |
| 174 | D | 67.4 | Low | 65.2 | Low | 50 Ų | 50 | 69 Ų | 69 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.6 | -43.7 | -175.6 | -63 | -27.3 | 0 | 0 | 0 | 110.5 | R170 M171 K176 V177 L178 A198 | R170-D174 VanDerWaalsContact O-CG 3.26Å; R170-D174 PolarHBondContact O-N 3.31Å; M171-D174 PolarHBondContact O-N 2.97Å; D174-K176 VanDerWaalsContact C-N 3.3Å; D174-K176 PolarHBondContact O-N 2.75Å; D174-V177 PolarHBondContact O-N 3.49Å; D174-L178 HydrophobicContact CB-CD1 4.43Å; D174-L178 WeakPolarHBondContact O-CB 3.41Å; D174-L178 WeakPolarHBondContact O-CD1 3.43Å; D174-L178 WeakPolarHBondContact O-CG 3.44Å; D174-L178 PolarHBondContact O-N 3.33Å; D174-A198 HydrophobicContact CB-CB 4.38Å |
| 175 | A | 63.2 | Low | 63.2 | Low | 9 Ų | 9 | 72.8 Ų | 72.8 | 7% | 0.074 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I8 W10 M171 M179 A198 | I8-A175 HydrophobicContact CD1-CB 4.42Å; W10-A175 HydrophobicContact CH2-CB 3.86Å; W10-A175 WeakPolarHBondContact CH2-O 3.29Å; W10-A175 HydrophobicContact CZ2-CB 3.48Å; W10-A175 VanDerWaalsContact CZ2-CB 3.48Å; M171-A175 WeakPolarHBondContact O-CB 3.48Å; M171-A175 PolarHBondContact O-N 2.86Å; A175-M179 WeakPolarHBondContact O-CG 3.07Å; A175-M179 PolarHBondContact O-N 2.8Å; A175-A198 HydrophobicContact CB-CB 4.15Å |
| 176 | K | 62.9 | Low | 61 | Low | 138 Ų | 138 | 73.6 Ų | 73.6 | 60% | 0.6 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.2 | -47 | 173.8 | -170.9 | 177.4 | 178.5 | -179.3 | 0 | 112.7 | I8 A172 K173 D174 L178 T180 | I8-K176 HydrophobicContact CD1-CB 3.68Å; A172-K176 WeakPolarHBondContact O-CB 3.22Å; A172-K176 PolarHBondContact O-N 2.79Å; A172-K176 VanDerWaalsContact O-N 3.12Å; K173-K176 PolarHBondContact O-N 3.02Å; D174-K176 VanDerWaalsContact C-N 3.3Å; D174-K176 PolarHBondContact O-N 2.75Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 2.75Å; K176-T180 PolarHBondContact O-N 3Å; K176-T180 PolarHBondContact O-OG1 3.05Å |
| 177 | V | 57.3 | Low | 58.7 | Low | 59 Ų | 59 | 76.2 Ų | 76.2 | 36% | 0.358 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | -178.5 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | K173 D174 T180 Q181 | K173-V177 VanDerWaalsContact O-CG2 3.3Å; K173-V177 WeakPolarHBondContact O-CG2 3.38Å; K173-V177 PolarHBondContact O-N 2.61Å; D174-V177 PolarHBondContact O-N 3.49Å; V177-T180 PolarHBondContact O-N 2.76Å; V177-T180 PolarHBondContact O-OG1 2.73Å; V177-Q181 PolarHBondContact O-N 3.17Å; V177-Q181 VanDerWaalsContact O-N 3.14Å |
| 178 | L | 51.2 | Low | 56.9 | Low | 42 Ų | 42 | 86.1 Ų | 86.1 | 22% | 0.22 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -69 | -38.9 | -176.3 | -66.4 | 159 | 0 | 0 | 0 | 112.1 | D174 K176 T180 Q181 T182 A194 | D174-L178 HydrophobicContact CB-CD1 4.43Å; D174-L178 WeakPolarHBondContact O-CB 3.41Å; D174-L178 WeakPolarHBondContact O-CD1 3.43Å; D174-L178 WeakPolarHBondContact O-CG 3.44Å; D174-L178 PolarHBondContact O-N 3.33Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 2.75Å; L178-T180 VanDerWaalsContact C-N 3.28Å; L178-T180 PolarHBondContact O-N 2.53Å; L178-Q181 PolarHBondContact O-N 3.5Å; L178-T182 VanDerWaalsContact O-CG2 3.3Å; L178-T182 WeakPolarHBondContact O-CG2 3.48Å; L178-T182 PolarHBondContact O-N 3.47Å; L178-T182 VanDerWaalsContact O-N 3.08Å; L178-T182 PolarHBondContact O-OG1 3.43Å; L178-T182 VanDerWaalsContact O-OG1 3.11Å; L178-A194 HydrophobicContact CB-CB 3.33Å; L178-A194 HydrophobicContact CD1-CB 3.57Å; L178-A194 HydrophobicContact CD2-CB 3.99Å; L178-A194 HydrophobicContact CG-CB 3.8Å |
| 179 | M | 46.5 | Very low | 55.8 | Low | 34 Ų | 34 | 89.6 Ų | 89.6 | 17% | 0.167 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -55.4 | -44.3 | 171.2 | -74.7 | 176.8 | 145.8 | 0 | 0 | 112.6 | I8 T9 W10 A175 Q181 T182 | I8-M179 HydrophobicContact CG2-CE 3.5Å; I8-M179 HydrophobicContact CG2-SD 3.49Å; I8-M179 WeakPolarHBondContact CG2-SD 2.96Å; T9-M179 WeakPolarHBondContact O-CE 3.45Å; W10-M179 HydrophobicContact CB-CE 4.17Å; W10-M179 HydrophobicContact CD2-CE 3.06Å; W10-M179 HydrophobicContact CD2-SD 4.45Å; W10-M179 HydrophobicContact CE3-CE 3.09Å; W10-M179 HydrophobicContact CE3-CG 4.18Å; W10-M179 HydrophobicContact CE3-SD 4.34Å; W10-M179 HydrophobicContact CG-CE 3.59Å; W10-M179 HydrophobicContact CH2-CE 3.45Å; W10-M179 VanDerWaalsContact CH2-CE 3.45Å; W10-M179 HydrophobicContact CH2-CG 3.25Å; W10-M179 HydrophobicContact CH2-SD 3.68Å; W10-M179 HydrophobicContact CZ2-CE 3.5Å; W10-M179 VanDerWaalsContact CZ2-CE 3.5Å; W10-M179 HydrophobicContact CZ2-CG 4.07Å; W10-M179 HydrophobicContact CZ2-SD 3.89Å; W10-M179 HydrophobicContact CZ3-CE 3.24Å; W10-M179 HydrophobicContact CZ3-CG 3.31Å; W10-M179 HydrophobicContact CZ3-SD 3.93Å; A175-M179 WeakPolarHBondContact O-CG 3.07Å; A175-M179 PolarHBondContact O-N 2.8Å; M179-Q181 VanDerWaalsContact C-N 3.31Å; M179-Q181 PolarHBondContact O-N 3.27Å; M179-T182 PolarHBondContact O-N 3.37Å; M179-T182 PolarHBondContact O-OG1 3.43Å; M179-T182 VanDerWaalsContact O-OG1 3.06Å |
| 180 | T | 50.9 | Low | 54.4 | Low | 90 Ų | 90 | 86.4 Ų | 86.4 | 55% | 0.552 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -70.7 | -27.2 | -177 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | K176 V177 L178 | K176-T180 PolarHBondContact O-N 3Å; K176-T180 PolarHBondContact O-OG1 3.05Å; V177-T180 PolarHBondContact O-N 2.76Å; V177-T180 PolarHBondContact O-OG1 2.73Å; L178-T180 VanDerWaalsContact C-N 3.28Å; L178-T180 PolarHBondContact O-N 2.53Å |
| 181 | Q | 48.2 | Very low | 53.4 | Low | 122 Ų | 122 | 82.1 Ų | 82.1 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -82.9 | -30.8 | 178 | -71.9 | -179.8 | -14.5 | 0 | 0 | 112.9 | V177 L178 M179 Q183 D184 | V177-Q181 PolarHBondContact O-N 3.17Å; V177-Q181 VanDerWaalsContact O-N 3.14Å; L178-Q181 PolarHBondContact O-N 3.5Å; M179-Q181 VanDerWaalsContact C-N 3.31Å; M179-Q181 PolarHBondContact O-N 3.27Å; Q181-Q183 VanDerWaalsContact C-N 3.28Å; Q181-Q183 PolarHBondContact O-N 3.26Å; Q181-D184 PolarHBondContact O-N 2.85Å |
| 182 | T | 46.7 | Very low | 52.7 | Low | 23 Ų | 23 | 81.4 Ų | 81.4 | 14% | 0.141 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -75.1 | -11.2 | -176.5 | 52.1 | 0 | 0 | 0 | 0 | 115.1 | L178 M179 D184 A190 | L178-T182 VanDerWaalsContact O-CG2 3.3Å; L178-T182 WeakPolarHBondContact O-CG2 3.48Å; L178-T182 PolarHBondContact O-N 3.47Å; L178-T182 VanDerWaalsContact O-N 3.08Å; L178-T182 PolarHBondContact O-OG1 3.43Å; L178-T182 VanDerWaalsContact O-OG1 3.11Å; M179-T182 PolarHBondContact O-N 3.37Å; M179-T182 PolarHBondContact O-OG1 3.43Å; M179-T182 VanDerWaalsContact O-OG1 3.06Å; T182-D184 VanDerWaalsContact C-N 3.27Å; T182-D184 PolarHBondContact O-N 2.99Å; T182-A190 HydrophobicContact CG2-CB 3.34Å |
| 183 | Q | 42.7 | Very low | 52.5 | Low | 175 Ų | 175 | 87.1 Ų | 87.1 | 82% | 0.818 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -23.4 | 175 | -72.7 | -173.7 | -13.7 | 0 | 0 | 113 | Q181 | Q181-Q183 VanDerWaalsContact C-N 3.28Å; Q181-Q183 PolarHBondContact O-N 3.26Å |
| 184 | D | 42.8 | Very low | 52.2 | Low | 153 Ų | 153 | 80.6 Ų | 80.6 | 82% | 0.818 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -91.3 | -15.3 | -178.2 | -81.2 | -26.1 | 0 | 0 | 0 | 114.1 | Q181 T182 | Q181-D184 PolarHBondContact O-N 2.85Å; T182-D184 VanDerWaalsContact C-N 3.27Å; T182-D184 PolarHBondContact O-N 2.99Å |
| 185 | T | 41.5 | Very low | 52.3 | Low | 79 Ų | 79 | 78.6 Ų | 78.6 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -113.7 | 110.4 | 179.3 | 59.8 | 0 | 0 | 0 | 0 | 108.4 | F187 | T185-F187 PolarHBondContact O-N 3.21Š|
| 186 | G | 36.3 | Very low | 52.8 | Low | 71 Ų | 71 | 78.7 Ų | 78.7 | 73% | 0.732 | 41% | 0.414 | S | S | * | . | trans | -62.1 | 29.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y188 | G186-Y188 WeakPolarHBondContact O-CD2 3.14Å; G186-Y188 PolarHBondContact O-N 3.04Å | ||
| 187 | F | 38.1 | Very low | 53.4 | Low | 160 Ų | 160 | 79.3 Ų | 79.3 | 70% | 0.702 | 41% | 0.412 | S | S | * | . | trans | -83.2 | 100.3 | 168.2 | -113.8 | -93.9 | 0 | 0 | 0 | 109.2 | T185 N189 A190 | T185-F187 PolarHBondContact O-N 3.21Å; F187-N189 PolarHBondContact O-N 2.95Å; F187-A190 HydrophobicContact CB-CB 4.16Å; F187-A190 WeakPolarHBondContact O-CB 3.06Å; F187-A190 PolarHBondContact O-N 3.16Å; F187-A190 VanDerWaalsContact O-N 3.1Å | ||
| 188 | Y | 46.4 | Very low | 54.3 | Low | 210 Ų | 210 | 76.6 Ų | 76.6 | 82% | 0.824 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -11.5 | -176.8 | -69.9 | -87.8 | 0 | 0 | 0 | 115.3 | G186 | G186-Y188 WeakPolarHBondContact O-CD2 3.14Å; G186-Y188 PolarHBondContact O-N 3.04Å |
| 189 | N | 53.7 | Low | 55.5 | Low | 95 Ų | 95 | 75.9 Ų | 75.9 | 51% | 0.508 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -3.7 | 179.7 | -61.2 | -12.8 | 0 | 0 | 0 | 114.2 | F187 P191 D192 L193 | F187-N189 PolarHBondContact O-N 2.95Å; N189-P191 VanDerWaalsContact C-CD 3.41Å; N189-D192 PolarHBondContact O-N 3.42Å; N189-L193 PolarHBondContact O-N 2.83Å |
| 190 | A | 50.2 | Low | 57.1 | Low | 22 Ų | 22 | 77.3 Ų | 77.3 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.8 | -36.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T182 F187 D192 L193 A194 | T182-A190 HydrophobicContact CG2-CB 3.34Å; F187-A190 HydrophobicContact CB-CB 4.16Å; F187-A190 WeakPolarHBondContact O-CB 3.06Å; F187-A190 PolarHBondContact O-N 3.16Å; F187-A190 VanDerWaalsContact O-N 3.1Å; A190-D192 PolarHBondContact O-N 2.99Å; A190-L193 PolarHBondContact O-N 3.47Å; A190-A194 VanDerWaalsContact O-CB 3.23Å; A190-A194 WeakPolarHBondContact O-CB 3.5Å; A190-A194 PolarHBondContact O-N 3.02Å |
| 191 | P | 57.6 | Low | 58.6 | Low | 9 Ų | 9 | 76.9 Ų | 76.9 | 6% | 0.058 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 176.6 | -20.4 | 31.9 | 0 | 0 | 0 | 113.5 | F12 N189 S195 | F12-P191 HydrophobicContact CD1-CB 4.05Å; F12-P191 HydrophobicContact CD1-CG 3.97Å; F12-P191 HydrophobicContact CD2-CB 4.11Å; F12-P191 HydrophobicContact CE1-CB 3.48Å; F12-P191 VanDerWaalsContact CE1-CB 3.48Å; F12-P191 HydrophobicContact CE1-CG 3.27Å; F12-P191 HydrophobicContact CE2-CB 3.53Å; F12-P191 HydrophobicContact CE2-CG 4.28Å; F12-P191 HydrophobicContact CG-CB 4.37Å; F12-P191 HydrophobicContact CZ-CB 3.18Å; F12-P191 HydrophobicContact CZ-CG 3.45Å; F12-P191 VanDerWaalsContact CZ-CG 3.45Å; N189-P191 VanDerWaalsContact C-CD 3.41Å; P191-S195 VanDerWaalsContact O-CB 3.29Å; P191-S195 WeakPolarHBondContact O-CB 3.18Å; P191-S195 PolarHBondContact O-N 3.01Å; P191-S195 PolarHBondContact O-OG 3.39Å |
| 192 | D | 61.9 | Low | 60.2 | Low | 11 Ų | 11 | 71.3 Ų | 71.3 | 6% | 0.059 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.1 | -41.8 | 178.5 | -68.4 | -43.8 | 0 | 0 | 0 | 111.4 | Y14 N189 A190 S195 C196 L234 | Y14-D192 WeakPolarHBondContact CE1-OD2 3.47Å; Y14-D192 PolarHBondContact OH-OD1 2.63Å; N189-D192 PolarHBondContact O-N 3.42Å; A190-D192 PolarHBondContact O-N 2.99Å; D192-S195 PolarHBondContact O-N 3.27Å; D192-C196 VanDerWaalsContact O-CB 3.27Å; D192-C196 WeakPolarHBondContact O-CB 3.43Å; D192-C196 PolarHBondContact O-N 3.44Å; D192-L234 HydrophobicContact CB-CD2 4.13Å |
| 193 | L | 65.3 | Low | 61.9 | Low | 131 Ų | 131 | 70.4 Ų | 70.4 | 69% | 0.686 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.7 | -43.1 | 177.7 | -176.1 | 65.7 | 0 | 0 | 0 | 111.2 | N189 A190 C196 R197 | N189-L193 PolarHBondContact O-N 2.83Å; A190-L193 PolarHBondContact O-N 3.47Å; L193-C196 PolarHBondContact O-N 3.21Å; L193-R197 WeakPolarHBondContact O-CB 3.34Å; L193-R197 PolarHBondContact O-N 2.9Å |
| 194 | A | 66.4 | Low | 64.1 | Low | 9 Ų | 9 | 65.1 Ų | 65.1 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.4 | -49.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L178 A190 C196 R197 A198 | L178-A194 HydrophobicContact CB-CB 3.33Å; L178-A194 HydrophobicContact CD1-CB 3.57Å; L178-A194 HydrophobicContact CD2-CB 3.99Å; L178-A194 HydrophobicContact CG-CB 3.8Å; A190-A194 VanDerWaalsContact O-CB 3.23Å; A190-A194 WeakPolarHBondContact O-CB 3.5Å; A190-A194 PolarHBondContact O-N 3.02Å; A194-C196 VanDerWaalsContact C-N 3.29Å; A194-C196 PolarHBondContact O-N 3.48Å; A194-R197 PolarHBondContact O-N 2.93Å; A194-A198 PolarHBondContact O-N 2.84Å |
| 195 | S | 68.9 | Low | 66.2 | Low | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | W10 P191 D192 A198 L199 | W10-S195 VanDerWaalsContact CH2-OG 3.23Å; W10-S195 WeakPolarHBondContact CH2-OG 3.38Å; W10-S195 WeakPolarHBondContact CZ3-OG 3.22Å; P191-S195 VanDerWaalsContact O-CB 3.29Å; P191-S195 WeakPolarHBondContact O-CB 3.18Å; P191-S195 PolarHBondContact O-N 3.01Å; P191-S195 PolarHBondContact O-OG 3.39Å; D192-S195 PolarHBondContact O-N 3.27Å; S195-A198 PolarHBondContact O-N 3.45Å; S195-L199 WeakPolarHBondContact O-CB 3.15Å; S195-L199 PolarHBondContact O-N 2.96Å |
| 196 | C | 73.2 | Confident | 68.4 | Low | 10 Ų | 10 | 55.6 Ų | 55.6 | 7% | 0.068 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 176.3 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | D192 L193 A194 L199 Q200 L234 C237 | D192-C196 VanDerWaalsContact O-CB 3.27Å; D192-C196 WeakPolarHBondContact O-CB 3.43Å; D192-C196 PolarHBondContact O-N 3.44Å; L193-C196 PolarHBondContact O-N 3.21Å; A194-C196 VanDerWaalsContact C-N 3.29Å; A194-C196 PolarHBondContact O-N 3.48Å; C196-L199 PolarHBondContact O-N 3.36Å; C196-Q200 WeakPolarHBondContact O-CB 3.49Å; C196-Q200 VanDerWaalsContact O-CG 3.3Å; C196-Q200 WeakPolarHBondContact O-CG 3.33Å; C196-Q200 PolarHBondContact O-N 3.01Å; C196-L234 HydrophobicContact CB-CD1 4.3Å; C196-C237 WeakPolarHBondContact CA-SG 3.33Å; C196-C237 HydrophobicContact CB-CB 3.53Å; C196-C237 WeakPolarHBondContact CB-SG 3.05Å; C196-C237 WeakPolarHBondContact SG-CA 3.44Å; C196-C237 WeakPolarHBondContact SG-CB 3.49Å; C196-C237 CovalentContact SG-SG 2.03Å; C196-C237 PolarHBondContact SG-SG 2.83Å |
| 197 | R | 76 | Confident | 70.9 | Confident | 151 Ų | 151 | 57.2 Ų | 57.2 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.8 | -47.1 | 176.5 | -176.8 | 179.6 | 176.2 | 171.3 | 3.8 | 111.5 | L193 A194 L199 Q200 E201 | L193-R197 WeakPolarHBondContact O-CB 3.34Å; L193-R197 PolarHBondContact O-N 2.9Å; A194-R197 PolarHBondContact O-N 2.93Å; R197-L199 VanDerWaalsContact C-N 3.27Å; R197-L199 PolarHBondContact O-N 3.26Å; R197-Q200 PolarHBondContact O-N 3.35Å; R197-E201 HydrophobicContact CG-CG 4.49Å; R197-E201 WeakPolarHBondContact CG-OE1 3.23Å; R197-E201 IonicContact CZ-OE1 3.54Å; R197-E201 IonicContact NE-OE1 3.05Å; R197-E201 PolarHBondContact NE-OE1 3.36Å; R197-E201 IonicContact NH2-OE1 3.66Å; R197-E201 WeakPolarHBondContact O-CB 3.41Å; R197-E201 WeakPolarHBondContact O-CG 3.32Å; R197-E201 PolarHBondContact O-N 3.22Å |
| 198 | A | 75.9 | Confident | 73.5 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | M171 D174 A175 A194 S195 E201 F202 | M171-A198 HydrophobicContact CG-CB 4.2Å; D174-A198 HydrophobicContact CB-CB 4.38Å; A175-A198 HydrophobicContact CB-CB 4.15Å; A194-A198 PolarHBondContact O-N 2.84Å; S195-A198 PolarHBondContact O-N 3.45Å; A198-E201 PolarHBondContact O-N 2.71Å; A198-F202 WeakPolarHBondContact O-CB 3.5Å; A198-F202 PolarHBondContact O-N 3.2Å |
| 199 | L | 76.6 | Confident | 75.6 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 176 | -175.1 | 63 | 0 | 0 | 0 | 112.5 | M171 S195 C196 R197 E201 F202 V203 A230 L234 L239 | M171-L199 HydrophobicContact SD-CD1 4.41Å; S195-L199 WeakPolarHBondContact O-CB 3.15Å; S195-L199 PolarHBondContact O-N 2.96Å; C196-L199 PolarHBondContact O-N 3.36Å; R197-L199 VanDerWaalsContact C-N 3.27Å; R197-L199 PolarHBondContact O-N 3.26Å; L199-E201 VanDerWaalsContact C-N 3.34Å; L199-F202 HydrophobicContact CD1-CD1 4.28Å; L199-F202 WeakPolarHBondContact O-CB 3.43Å; L199-F202 PolarHBondContact O-N 2.6Å; L199-V203 HydrophobicContact CD1-CG2 4.3Å; L199-V203 HydrophobicContact CG-CG2 4.45Å; L199-V203 WeakPolarHBondContact O-CB 3.11Å; L199-V203 VanDerWaalsContact O-CG2 3.24Å; L199-V203 WeakPolarHBondContact O-CG2 3.46Å; L199-V203 PolarHBondContact O-N 3.02Å; L199-A230 HydrophobicContact CD2-CB 3.67Å; L199-L234 HydrophobicContact CD2-CD1 4.23Å; L199-L239 HydrophobicContact CB-CD2 4.42Å; L199-L239 HydrophobicContact CD2-CD1 4.32Å; L199-L239 HydrophobicContact CD2-CD2 4.03Å; L199-L239 HydrophobicContact CG-CD2 3.9Å |
| 200 | Q | 80.3 | Confident | 77.2 | Confident | 64 Ų | 64 | 43.7 Ų | 43.7 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.8 | -77.5 | 176.8 | -12.3 | 0 | 0 | 111.6 | C196 R197 S204 I238 L239 | C196-Q200 WeakPolarHBondContact O-CB 3.49Å; C196-Q200 VanDerWaalsContact O-CG 3.3Å; C196-Q200 WeakPolarHBondContact O-CG 3.33Å; C196-Q200 PolarHBondContact O-N 3.01Å; R197-Q200 PolarHBondContact O-N 3.35Å; Q200-S204 VanDerWaalsContact O-CB 3.28Å; Q200-S204 WeakPolarHBondContact O-CB 3.32Å; Q200-S204 PolarHBondContact O-N 3.5Å; Q200-S204 PolarHBondContact O-OG 3.14Å; Q200-I238 PolarHBondContact NE2-O 2.99Å; Q200-L239 HydrophobicContact CB-CD2 4.39Å; Q200-L239 HydrophobicContact CG-CD2 3.62Å |
| 201 | E | 81.9 | Confident | 79.1 | Confident | 80 Ų | 80 | 44.3 Ų | 44.3 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.6 | -42.3 | 177.2 | -73 | 177.1 | -170.6 | 0 | 0 | 110.7 | R197 A198 L199 S204 C205 | R197-E201 HydrophobicContact CG-CG 4.49Å; R197-E201 WeakPolarHBondContact CG-OE1 3.23Å; R197-E201 IonicContact CZ-OE1 3.54Å; R197-E201 IonicContact NE-OE1 3.05Å; R197-E201 PolarHBondContact NE-OE1 3.36Å; R197-E201 IonicContact NH2-OE1 3.66Å; R197-E201 WeakPolarHBondContact O-CB 3.41Å; R197-E201 WeakPolarHBondContact O-CG 3.32Å; R197-E201 PolarHBondContact O-N 3.22Å; A198-E201 PolarHBondContact O-N 2.71Å; L199-E201 VanDerWaalsContact C-N 3.34Å; E201-S204 PolarHBondContact O-N 2.7Å; E201-C205 WeakPolarHBondContact O-CB 3.23Å; E201-C205 PolarHBondContact O-N 2.84Å |
| 202 | F | 82.2 | Confident | 80.7 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.5 | -53.5 | 173.1 | 173.9 | -115.7 | 0 | 0 | 0 | 112.7 | C167 E168 M171 A198 L199 S204 C205 I206 | C167-F202 HydrophobicContact CB-CD2 3.9Å; C167-F202 HydrophobicContact CB-CE2 4.14Å; E168-F202 HydrophobicContact CB-CE2 4.47Å; E168-F202 HydrophobicContact CG-CD2 4.17Å; E168-F202 HydrophobicContact CG-CE2 3.39Å; E168-F202 HydrophobicContact CG-CZ 4.03Å; M171-F202 HydrophobicContact CB-CB 3.97Å; M171-F202 HydrophobicContact CB-CD2 4.46Å; M171-F202 HydrophobicContact CB-CG 4.42Å; M171-F202 HydrophobicContact CE-CG 4.35Å; M171-F202 HydrophobicContact CG-CB 3.95Å; M171-F202 HydrophobicContact CG-CG 4.46Å; M171-F202 HydrophobicContact SD-CB 3.48Å; M171-F202 WeakPolarHBondContact SD-CB 3.21Å; M171-F202 HydrophobicContact SD-CD1 3.77Å; M171-F202 HydrophobicContact SD-CD2 4.18Å; M171-F202 HydrophobicContact SD-CG 3.52Å; M171-F202 VanDerWaalsContact SD-CG 3.52Å; A198-F202 WeakPolarHBondContact O-CB 3.5Å; A198-F202 PolarHBondContact O-N 3.2Å; L199-F202 HydrophobicContact CD1-CD1 4.28Å; L199-F202 WeakPolarHBondContact O-CB 3.43Å; L199-F202 PolarHBondContact O-N 2.6Å; F202-S204 VanDerWaalsContact C-N 3.29Å; F202-S204 PolarHBondContact O-N 3.09Å; F202-C205 WeakPolarHBondContact O-CB 3.29Å; F202-C205 PolarHBondContact O-N 3.24Å; F202-I206 HydrophobicContact CD2-CG2 4.05Å; F202-I206 HydrophobicContact CE1-CD1 4.01Å; F202-I206 HydrophobicContact CE2-CG2 3.49Å; F202-I206 VanDerWaalsContact CE2-CG2 3.49Å; F202-I206 HydrophobicContact CZ-CD1 3.98Å; F202-I206 HydrophobicContact CZ-CG2 3.9Å; F202-I206 PolarHBondContact O-N 3.46Å |
| 203 | V | 83.1 | Confident | 82.1 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | -179.4 | 169 | 0 | 0 | 0 | 0 | 110.2 | L199 C205 I206 R207 W219 A226 L239 | L199-V203 HydrophobicContact CD1-CG2 4.3Å; L199-V203 HydrophobicContact CG-CG2 4.45Å; L199-V203 WeakPolarHBondContact O-CB 3.11Å; L199-V203 VanDerWaalsContact O-CG2 3.24Å; L199-V203 WeakPolarHBondContact O-CG2 3.46Å; L199-V203 PolarHBondContact O-N 3.02Å; V203-C205 VanDerWaalsContact C-N 3.31Å; V203-C205 PolarHBondContact O-N 3.13Å; V203-I206 WeakPolarHBondContact O-CG1 3.36Å; V203-R207 PolarHBondContact O-N 2.9Å; V203-W219 HydrophobicContact CG1-CH2 3.56Å; V203-W219 HydrophobicContact CG1-CZ2 4.25Å; V203-W219 HydrophobicContact CG1-CZ3 4.48Å; V203-W219 WeakPolarHBondContact O-CH2 3.46Å; V203-A226 HydrophobicContact CG2-CB 4.15Å; V203-L239 HydrophobicContact CG2-CD1 4.15Å |
| 204 | S | 87.4 | Confident | 83.2 | Confident | 63 Ų | 63 | 46.8 Ų | 46.8 | 44% | 0.441 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.5 | -36.7 | 175.4 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | Q200 E201 F202 R207 | Q200-S204 VanDerWaalsContact O-CB 3.28Å; Q200-S204 WeakPolarHBondContact O-CB 3.32Å; Q200-S204 PolarHBondContact O-N 3.5Å; Q200-S204 PolarHBondContact O-OG 3.14Å; E201-S204 PolarHBondContact O-N 2.7Å; F202-S204 VanDerWaalsContact C-N 3.29Å; F202-S204 PolarHBondContact O-N 3.09Å; S204-R207 WeakPolarHBondContact O-CB 3.1Å |
| 205 | C | 87.4 | Confident | 84.3 | Confident | 28 Ų | 28 | 47.8 Ų | 47.8 | 19% | 0.189 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.7 | -42.3 | -178.7 | -172 | 0 | 0 | 0 | 0 | 112.5 | C167 R170 E201 F202 V203 R207 P209 | C167-C205 VanDerWaalsContact CA-SG 3.56Å; C167-C205 HydrophobicContact CB-CB 3.61Å; C167-C205 WeakPolarHBondContact CB-SG 3.24Å; C167-C205 VanDerWaalsContact SG-C 3.51Å; C167-C205 WeakPolarHBondContact SG-CB 2.94Å; C167-C205 CovalentContact SG-SG 2.02Å; C167-C205 PolarHBondContact SG-SG 2.95Å; R170-C205 PolarHBondContact NH2-SG 2.91Å; E201-C205 WeakPolarHBondContact O-CB 3.23Å; E201-C205 PolarHBondContact O-N 2.84Å; F202-C205 WeakPolarHBondContact O-CB 3.29Å; F202-C205 PolarHBondContact O-N 3.24Å; V203-C205 VanDerWaalsContact C-N 3.31Å; V203-C205 PolarHBondContact O-N 3.13Å; C205-R207 VanDerWaalsContact C-N 3.29Å; C205-R207 PolarHBondContact O-N 3.4Å; C205-P209 WeakPolarHBondContact O-CD 3.17Å |
| 206 | I | 86.9 | Confident | 85 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.5 | -11.2 | 180 | 66.1 | 170.6 | 0 | 0 | 0 | 113.6 | V164 C167 F202 V203 P209 I210 W219 V222 | V164-I206 HydrophobicContact CB-CG2 4.5Å; V164-I206 HydrophobicContact CG1-CG2 3.86Å; V164-I206 HydrophobicContact CG2-CG2 4.33Å; C167-I206 HydrophobicContact CB-CG2 3.95Å; F202-I206 HydrophobicContact CD2-CG2 4.05Å; F202-I206 HydrophobicContact CE1-CD1 4.01Å; F202-I206 HydrophobicContact CE2-CG2 3.49Å; F202-I206 VanDerWaalsContact CE2-CG2 3.49Å; F202-I206 HydrophobicContact CZ-CD1 3.98Å; F202-I206 HydrophobicContact CZ-CG2 3.9Å; F202-I206 PolarHBondContact O-N 3.46Å; V203-I206 WeakPolarHBondContact O-CG1 3.36Å; I206-P209 WeakPolarHBondContact O-CD 3.48Å; I206-I210 HydrophobicContact CB-CD1 4.16Å; I206-I210 HydrophobicContact CD1-CD1 3.98Å; I206-I210 HydrophobicContact CG1-CD1 4.11Å; I206-I210 WeakPolarHBondContact O-CD1 3.35Å; I206-I210 VanDerWaalsContact O-CG1 3.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.25Å; I206-I210 PolarHBondContact O-N 3.2Å; I206-W219 HydrophobicContact CD1-CZ3 4.47Å; I206-W219 HydrophobicContact CG1-CZ3 4.08Å; I206-V222 HydrophobicContact CD1-CG1 4.02Å |
| 207 | R | 90.2 | Very high | 85.2 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.3 | -55 | -177.5 | 177.6 | 176.6 | 179.5 | 173.6 | 3.4 | 112.4 | V203 S204 C205 I210 Q211 W219 | V203-R207 PolarHBondContact O-N 2.9Å; S204-R207 WeakPolarHBondContact O-CB 3.1Å; C205-R207 VanDerWaalsContact C-N 3.29Å; C205-R207 PolarHBondContact O-N 3.4Å; R207-I210 PolarHBondContact O-N 3.32Å; R207-Q211 HydrophobicContact CG-CG 4.11Å; R207-Q211 VanDerWaalsContact NE-CD 3.33Å; R207-Q211 WeakPolarHBondContact O-CB 3.26Å; R207-Q211 WeakPolarHBondContact O-CG 3.3Å; R207-Q211 PolarHBondContact O-N 3.48Å; R207-W219 HydrophobicContact CB-CD2 4.36Å; R207-W219 HydrophobicContact CB-CE3 4.24Å; R207-W219 HydrophobicContact CB-CH2 3.65Å; R207-W219 HydrophobicContact CB-CZ2 3.8Å; R207-W219 HydrophobicContact CB-CZ3 3.91Å; R207-W219 HydrophobicContact CG-CD2 3.97Å; R207-W219 HydrophobicContact CG-CE3 4.33Å; R207-W219 HydrophobicContact CG-CH2 4.09Å; R207-W219 HydrophobicContact CG-CZ2 3.71Å; R207-W219 HydrophobicContact CG-CZ3 4.4Å |
| 208 | Y | 91.6 | Very high | 85.5 | Confident | 174 Ų | 174 | 49.3 Ų | 49.3 | 68% | 0.682 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | -174.2 | -69 | -71.4 | 0 | 0 | 0 | 112.8 | I210 G212 | Y208-I210 VanDerWaalsContact C-N 3.31Å; Y208-I210 PolarHBondContact O-N 3.29Å; Y208-G212 PolarHBondContact O-N 2.93Å |
| 209 | P | 90.2 | Very high | 86 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 5% | 0.045 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.4 | -42.2 | 173.5 | -29.2 | 35.7 | 0 | 0 | 0 | 113.6 | V158 E163 V164 C205 I206 Q213 | V158-P209 HydrophobicContact CG1-CB 3.61Å; E163-P209 HydrophobicContact CG-CG 4.19Å; V164-P209 HydrophobicContact CG2-CB 4.04Å; V164-P209 HydrophobicContact CG2-CG 4.23Å; C205-P209 WeakPolarHBondContact O-CD 3.17Å; I206-P209 WeakPolarHBondContact O-CD 3.48Å; P209-Q213 VanDerWaalsContact O-CB 3.31Å; P209-Q213 WeakPolarHBondContact O-CB 2.97Å; P209-Q213 VanDerWaalsContact O-CG 3.25Å; P209-Q213 WeakPolarHBondContact O-CG 3.3Å; P209-Q213 PolarHBondContact O-N 2.96Å |
| 210 | I | 87.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73 | -50.2 | -178.7 | -64.3 | 167.3 | 0 | 0 | 0 | 110.8 | L155 V158 I206 R207 Y208 G212 Q213 C214 G215 A218 W219 V222 | L155-I210 HydrophobicContact CD2-CG2 3.97Å; V158-I210 HydrophobicContact CG1-CG1 3.67Å; I206-I210 HydrophobicContact CB-CD1 4.16Å; I206-I210 HydrophobicContact CD1-CD1 3.98Å; I206-I210 HydrophobicContact CG1-CD1 4.11Å; I206-I210 WeakPolarHBondContact O-CD1 3.35Å; I206-I210 VanDerWaalsContact O-CG1 3.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.25Å; I206-I210 PolarHBondContact O-N 3.2Å; R207-I210 PolarHBondContact O-N 3.32Å; Y208-I210 VanDerWaalsContact C-N 3.31Å; Y208-I210 PolarHBondContact O-N 3.29Å; I210-G212 VanDerWaalsContact C-N 3.32Å; I210-G212 PolarHBondContact O-N 3.18Å; I210-Q213 PolarHBondContact O-N 3.13Å; I210-C214 HydrophobicContact CG2-CB 4.45Å; I210-C214 WeakPolarHBondContact O-CA 3.24Å; I210-C214 WeakPolarHBondContact O-CB 3.4Å; I210-C214 PolarHBondContact O-N 2.86Å; I210-G215 PolarHBondContact O-N 2.95Å; I210-A218 HydrophobicContact CG2-CB 4.17Å; I210-W219 HydrophobicContact CB-CE3 4.44Å; I210-W219 HydrophobicContact CD1-CE3 4.24Å; I210-W219 HydrophobicContact CD1-CZ3 4.46Å; I210-W219 HydrophobicContact CG2-CB 4.03Å; I210-V222 HydrophobicContact CD1-CB 4.23Å; I210-V222 HydrophobicContact CD1-CG1 3.86Å; I210-V222 HydrophobicContact CD1-CG2 4.17Å |
| 211 | Q | 90.4 | Very high | 85.9 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 16% | 0.164 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 179.7 | -73.4 | -175.6 | -29.9 | 0 | 0 | 111.6 | R207 G215 E216 W219 | R207-Q211 HydrophobicContact CG-CG 4.11Å; R207-Q211 VanDerWaalsContact NE-CD 3.33Å; R207-Q211 WeakPolarHBondContact O-CB 3.26Å; R207-Q211 WeakPolarHBondContact O-CG 3.3Å; R207-Q211 PolarHBondContact O-N 3.48Å; Q211-G215 VanDerWaalsContact O-CA 3.26Å; Q211-G215 WeakPolarHBondContact O-CA 3.17Å; Q211-G215 PolarHBondContact O-N 2.98Å; Q211-G215 VanDerWaalsContact O-N 3.11Å; Q211-E216 VanDerWaalsContact CD-OE2 3.24Å; Q211-E216 PolarHBondContact NE2-OE1 3.22Å; Q211-E216 PolarHBondContact NE2-OE2 3.27Å; Q211-W219 HydrophobicContact CG-CB 3.48Å; Q211-W219 VanDerWaalsContact CG-CB 3.48Å; Q211-W219 HydrophobicContact CG-CD2 4.31Å; Q211-W219 HydrophobicContact CG-CG 3.58Å |
| 212 | G | 91.2 | Very high | 85.6 | Confident | 67 Ų | 67 | 45.6 Ų | 45.6 | 69% | 0.691 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.2 | -31.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | Y208 I210 | Y208-G212 PolarHBondContact O-N 2.93Å; I210-G212 VanDerWaalsContact C-N 3.32Å; I210-G212 PolarHBondContact O-N 3.18Å |
| 213 | Q | 92 | Very high | 85.4 | Confident | 119 Ų | 119 | 46.8 Ų | 46.8 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -102.9 | -36.7 | -175.1 | -63 | -76.9 | 26.4 | 0 | 0 | 113.4 | C154 V158 P209 I210 | C154-Q213 PolarHBondContact SG-O 3.07Å; V158-Q213 HydrophobicContact CG2-CB 3.51Å; V158-Q213 HydrophobicContact CG2-CG 3.9Å; P209-Q213 VanDerWaalsContact O-CB 3.31Å; P209-Q213 WeakPolarHBondContact O-CB 2.97Å; P209-Q213 VanDerWaalsContact O-CG 3.25Å; P209-Q213 WeakPolarHBondContact O-CG 3.3Å; P209-Q213 PolarHBondContact O-N 2.96Å; I210-Q213 PolarHBondContact O-N 3.13Å |
| 214 | C | 89.5 | Confident | 85 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -112.7 | -7.5 | -172.9 | -49.8 | 0 | 0 | 0 | 0 | 113.3 | N151 C154 I210 A218 | N151-C214 PolarHBondContact OD1-O 3.37Å; C154-C214 HydrophobicContact CB-CB 3.9Å; C154-C214 WeakPolarHBondContact CB-SG 3.1Å; C154-C214 WeakPolarHBondContact SG-CA 3.43Å; C154-C214 WeakPolarHBondContact SG-CB 3.37Å; C154-C214 PolarHBondContact SG-N 3.34Å; C154-C214 CovalentContact SG-SG 2.04Å; C154-C214 PolarHBondContact SG-SG 2.88Å; I210-C214 HydrophobicContact CG2-CB 4.45Å; I210-C214 WeakPolarHBondContact O-CA 3.24Å; I210-C214 WeakPolarHBondContact O-CB 3.4Å; I210-C214 PolarHBondContact O-N 2.86Å; C214-A218 HydrophobicContact CB-CB 3.41Å; C214-A218 VanDerWaalsContact CB-CB 3.41Å |
| 215 | G | 88.5 | Confident | 84.2 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | 87 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I210 Q211 D217 A218 W219 | I210-G215 PolarHBondContact O-N 2.95Å; Q211-G215 VanDerWaalsContact O-CA 3.26Å; Q211-G215 WeakPolarHBondContact O-CA 3.17Å; Q211-G215 PolarHBondContact O-N 2.98Å; Q211-G215 VanDerWaalsContact O-N 3.11Å; G215-D217 PolarHBondContact O-N 3.4Å; G215-A218 PolarHBondContact O-N 3.48Å; G215-W219 PolarHBondContact O-N 3.16Å |
| 216 | E | 83.8 | Confident | 83.6 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 38% | 0.383 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.4 | -40.8 | -175.8 | -173.2 | 59.2 | -147.2 | 0 | 0 | 111.9 | Q211 A218 W219 Q220 | Q211-E216 VanDerWaalsContact CD-OE2 3.24Å; Q211-E216 PolarHBondContact NE2-OE1 3.22Å; Q211-E216 PolarHBondContact NE2-OE2 3.27Å; E216-A218 PolarHBondContact O-N 2.9Å; E216-W219 WeakPolarHBondContact O-CB 3.34Å; E216-W219 PolarHBondContact O-N 3.26Å; E216-W219 VanDerWaalsContact O-N 3.12Å; E216-Q220 HydrophobicContact CG-CG 4.41Å; E216-Q220 VanDerWaalsContact O-CG 3.3Å; E216-Q220 WeakPolarHBondContact O-CG 3.34Å; E216-Q220 PolarHBondContact O-N 3.32Å; E216-Q220 PolarHBondContact OE1-NE2 3.12Å |
| 217 | D | 78.2 | Confident | 82.8 | Confident | 119 Ų | 119 | 44.9 Ų | 44.9 | 64% | 0.636 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -59.4 | -47.5 | -179.1 | -66.8 | -20.9 | 0 | 0 | 0 | 111.2 | G215 W219 Q220 H221 | G215-D217 PolarHBondContact O-N 3.4Å; D217-W219 PolarHBondContact O-N 3.45Å; D217-Q220 WeakPolarHBondContact O-CB 3.36Å; D217-Q220 PolarHBondContact O-N 2.91Å; D217-Q220 VanDerWaalsContact O-N 3.09Å; D217-H221 PolarHBondContact O-N 2.03Å; D217-H221 PolarHBondContact O-ND1 3.11Å |
| 218 | A | 81.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.9 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N151 L155 I210 C214 G215 E216 H221 V222 | N151-A218 HydrophobicContact CB-CB 3.91Å; L155-A218 HydrophobicContact CD2-CB 4.27Å; I210-A218 HydrophobicContact CG2-CB 4.17Å; C214-A218 HydrophobicContact CB-CB 3.41Å; C214-A218 VanDerWaalsContact CB-CB 3.41Å; G215-A218 PolarHBondContact O-N 3.48Å; E216-A218 PolarHBondContact O-N 2.9Å; A218-H221 PolarHBondContact O-N 2.96Å; A218-V222 WeakPolarHBondContact O-CG2 3.49Å; A218-V222 PolarHBondContact O-N 3.46Å; A218-V222 VanDerWaalsContact O-N 3.12Å |
| 219 | W | 85.1 | Confident | 80.6 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.7 | 165.9 | -109.9 | 0 | 0 | 0 | 112.9 | V203 I206 R207 I210 Q211 G215 E216 D217 H221 V222 R223 | V203-W219 HydrophobicContact CG1-CH2 3.56Å; V203-W219 HydrophobicContact CG1-CZ2 4.25Å; V203-W219 HydrophobicContact CG1-CZ3 4.48Å; V203-W219 WeakPolarHBondContact O-CH2 3.46Å; I206-W219 HydrophobicContact CD1-CZ3 4.47Å; I206-W219 HydrophobicContact CG1-CZ3 4.08Å; R207-W219 HydrophobicContact CB-CD2 4.36Å; R207-W219 HydrophobicContact CB-CE3 4.24Å; R207-W219 HydrophobicContact CB-CH2 3.65Å; R207-W219 HydrophobicContact CB-CZ2 3.8Å; R207-W219 HydrophobicContact CB-CZ3 3.91Å; R207-W219 HydrophobicContact CG-CD2 3.97Å; R207-W219 HydrophobicContact CG-CE3 4.33Å; R207-W219 HydrophobicContact CG-CH2 4.09Å; R207-W219 HydrophobicContact CG-CZ2 3.71Å; R207-W219 HydrophobicContact CG-CZ3 4.4Å; I210-W219 HydrophobicContact CB-CE3 4.44Å; I210-W219 HydrophobicContact CD1-CE3 4.24Å; I210-W219 HydrophobicContact CD1-CZ3 4.46Å; I210-W219 HydrophobicContact CG2-CB 4.03Å; Q211-W219 HydrophobicContact CG-CB 3.48Å; Q211-W219 VanDerWaalsContact CG-CB 3.48Å; Q211-W219 HydrophobicContact CG-CD2 4.31Å; Q211-W219 HydrophobicContact CG-CG 3.58Å; G215-W219 PolarHBondContact O-N 3.16Å; E216-W219 WeakPolarHBondContact O-CB 3.34Å; E216-W219 PolarHBondContact O-N 3.26Å; E216-W219 VanDerWaalsContact O-N 3.12Å; D217-W219 PolarHBondContact O-N 3.45Å; W219-H221 VanDerWaalsContact C-N 3.26Å; W219-H221 PolarHBondContact O-N 3.31Å; W219-V222 PolarHBondContact O-N 2.92Å; W219-R223 HydrophobicContact CH2-CB 4.45Å; W219-R223 HydrophobicContact CZ2-CB 4.21Å; W219-R223 HydrophobicContact CZ2-CG 4.23Å; W219-R223 WeakPolarHBondContact O-CB 3.47Å; W219-R223 PolarHBondContact O-N 2.93Å |
| 220 | Q | 79.9 | Confident | 79.6 | Confident | 66 Ų | 66 | 34 Ų | 34 | 31% | 0.308 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.4 | -39.4 | 178.5 | -61.7 | -73.7 | -40.6 | 0 | 0 | 111.2 | E216 D217 E224 | E216-Q220 HydrophobicContact CG-CG 4.41Å; E216-Q220 VanDerWaalsContact O-CG 3.3Å; E216-Q220 WeakPolarHBondContact O-CG 3.34Å; E216-Q220 PolarHBondContact O-N 3.32Å; E216-Q220 PolarHBondContact OE1-NE2 3.12Å; D217-Q220 WeakPolarHBondContact O-CB 3.36Å; D217-Q220 PolarHBondContact O-N 2.91Å; D217-Q220 VanDerWaalsContact O-N 3.09Å; Q220-E224 WeakPolarHBondContact O-CB 3.03Å; Q220-E224 PolarHBondContact O-N 3.27Å |
| 221 | H | 74.8 | Confident | 78.7 | Confident | 19 Ų | 19 | 37.8 Ų | 37.8 | 9% | 0.088 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.9 | -47.9 | 176.4 | -66.3 | 84.8 | 0 | 0 | 0 | 112.2 | F122 Y144 M148 D217 A218 W219 R223 E224 A225 | F122-H221 HydrophobicContact CE1-CB 4.28Å; F122-H221 WeakPolarHBondContact CE1-O 3.5Å; Y144-H221 AromaticContact CD1-CD2 3.72Å; Y144-H221 AromaticContact CD1-NE2 3.61Å; Y144-H221 PolarHBondContact O-CD2 3.1Å; M148-H221 HydrophobicContact CG-CB 4.24Å; M148-H221 HydrophobicContact SD-CB 3.78Å; D217-H221 PolarHBondContact O-N 2.03Å; D217-H221 PolarHBondContact O-ND1 3.11Å; A218-H221 PolarHBondContact O-N 2.96Å; W219-H221 VanDerWaalsContact C-N 3.26Å; W219-H221 PolarHBondContact O-N 3.31Å; H221-R223 VanDerWaalsContact C-N 3.31Å; H221-R223 PolarHBondContact O-N 3.33Å; H221-E224 PolarHBondContact O-N 2.72Å; H221-A225 WeakPolarHBondContact O-CB 3.4Å; H221-A225 PolarHBondContact O-N 3.34Å |
| 222 | V | 77.4 | Confident | 77.4 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -40.8 | 178.5 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | W71 L155 I206 I210 A218 W219 A225 A226 | W71-V222 HydrophobicContact CH2-CB 4.29Å; W71-V222 HydrophobicContact CH2-CG1 3.95Å; W71-V222 HydrophobicContact CH2-CG2 4.02Å; W71-V222 HydrophobicContact CZ2-CG1 4.07Å; W71-V222 HydrophobicContact CZ3-CG2 4.35Å; L155-V222 HydrophobicContact CD1-CG2 4.37Å; L155-V222 HydrophobicContact CD2-CG2 3.68Å; I206-V222 HydrophobicContact CD1-CG1 4.02Å; I210-V222 HydrophobicContact CD1-CB 4.23Å; I210-V222 HydrophobicContact CD1-CG1 3.86Å; I210-V222 HydrophobicContact CD1-CG2 4.17Å; A218-V222 WeakPolarHBondContact O-CG2 3.49Å; A218-V222 PolarHBondContact O-N 3.46Å; A218-V222 VanDerWaalsContact O-N 3.12Å; W219-V222 PolarHBondContact O-N 2.92Å; V222-A225 PolarHBondContact O-N 3.12Å; V222-A226 WeakPolarHBondContact O-CB 3.3Å; V222-A226 PolarHBondContact O-N 3.06Å |
| 223 | R | 77.9 | Confident | 76.1 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -46.9 | 178.1 | -170.6 | -170.9 | 71.5 | -136 | -6 | 111.8 | W219 H221 A226 Q227 | W219-R223 HydrophobicContact CH2-CB 4.45Å; W219-R223 HydrophobicContact CZ2-CB 4.21Å; W219-R223 HydrophobicContact CZ2-CG 4.23Å; W219-R223 WeakPolarHBondContact O-CB 3.47Å; W219-R223 PolarHBondContact O-N 2.93Å; H221-R223 VanDerWaalsContact C-N 3.31Å; H221-R223 PolarHBondContact O-N 3.33Å; R223-A226 PolarHBondContact O-N 3.19Å; R223-Q227 HydrophobicContact CG-CG 4.46Å; R223-Q227 WeakPolarHBondContact O-CB 3.07Å; R223-Q227 VanDerWaalsContact O-CG 3.31Å; R223-Q227 WeakPolarHBondContact O-CG 3.41Å; R223-Q227 PolarHBondContact O-N 3.47Å |
| 224 | E | 73.3 | Confident | 74.9 | Confident | 39 Ų | 39 | 30 Ų | 30 | 18% | 0.182 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.7 | -38.7 | -179.5 | -176.8 | 62 | -150.5 | 0 | 0 | 111.5 | F122 Q220 H221 A226 Q227 R228 R231 | F122-E224 HydrophobicContact CD1-CB 4.43Å; F122-E224 HydrophobicContact CD1-CG 4.39Å; F122-E224 HydrophobicContact CD2-CB 4.42Å; F122-E224 HydrophobicContact CD2-CG 3.58Å; F122-E224 HydrophobicContact CE1-CB 3.87Å; F122-E224 HydrophobicContact CE1-CG 4.08Å; F122-E224 HydrophobicContact CE2-CB 3.87Å; F122-E224 HydrophobicContact CE2-CG 3.21Å; F122-E224 HydrophobicContact CG-CG 4.15Å; F122-E224 HydrophobicContact CZ-CB 3.54Å; F122-E224 HydrophobicContact CZ-CG 3.48Å; F122-E224 VanDerWaalsContact CZ-CG 3.48Å; Q220-E224 WeakPolarHBondContact O-CB 3.03Å; Q220-E224 PolarHBondContact O-N 3.27Å; H221-E224 PolarHBondContact O-N 2.72Å; E224-A226 PolarHBondContact O-N 3.22Å; E224-Q227 PolarHBondContact O-N 3.28Å; E224-Q227 PolarHBondContact OE2-OE1 3.18Å; E224-R228 WeakPolarHBondContact O-CG 3.3Å; E224-R228 PolarHBondContact O-N 2.95Å; E224-R228 IonicContact OE1-CZ 3.2Å; E224-R228 IonicContact OE1-NE 3.23Å; E224-R228 PolarHBondContact OE1-NE 3.39Å; E224-R228 IonicContact OE1-NH2 2.61Å; E224-R231 IonicContact OE1-NH2 3.87Å |
| 225 | A | 71.9 | Confident | 73.6 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58 | -48.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | W71 F122 H221 V222 R228 Q229 | W71-A225 HydrophobicContact CH2-CB 4.24Å; W71-A225 HydrophobicContact CZ2-CB 4.03Å; F122-A225 HydrophobicContact CD1-CB 3.85Å; F122-A225 HydrophobicContact CE1-CB 4.46Å; H221-A225 WeakPolarHBondContact O-CB 3.4Å; H221-A225 PolarHBondContact O-N 3.34Å; V222-A225 PolarHBondContact O-N 3.12Å; A225-R228 PolarHBondContact O-N 3.22Å; A225-Q229 WeakPolarHBondContact O-CG 3.48Å; A225-Q229 PolarHBondContact O-N 2.99Å |
| 226 | A | 73.4 | Confident | 72.4 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 5% | 0.05 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V203 V222 R223 E224 R228 Q229 A230 L239 | V203-A226 HydrophobicContact CG2-CB 4.15Å; V222-A226 WeakPolarHBondContact O-CB 3.3Å; V222-A226 PolarHBondContact O-N 3.06Å; R223-A226 PolarHBondContact O-N 3.19Å; E224-A226 PolarHBondContact O-N 3.22Å; A226-R228 VanDerWaalsContact C-N 3.32Å; A226-R228 PolarHBondContact O-N 3.29Å; A226-Q229 PolarHBondContact O-N 3.48Å; A226-A230 WeakPolarHBondContact O-CB 3.33Å; A226-A230 PolarHBondContact O-N 3.22Å; A226-L239 HydrophobicContact CB-CD1 4.41Å |
| 227 | Q | 70.5 | Confident | 71.5 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 176.7 | -80.2 | 177.7 | -19.1 | 0 | 0 | 112.2 | R223 E224 A230 R231 L239 | R223-Q227 HydrophobicContact CG-CG 4.46Å; R223-Q227 WeakPolarHBondContact O-CB 3.07Å; R223-Q227 VanDerWaalsContact O-CG 3.31Å; R223-Q227 WeakPolarHBondContact O-CG 3.41Å; R223-Q227 PolarHBondContact O-N 3.47Å; E224-Q227 PolarHBondContact O-N 3.28Å; E224-Q227 PolarHBondContact OE2-OE1 3.18Å; Q227-A230 WeakPolarHBondContact O-CB 3.4Å; Q227-A230 PolarHBondContact O-N 2.94Å; Q227-R231 WeakPolarHBondContact O-CG 3.33Å; Q227-R231 PolarHBondContact O-N 3.44Å; Q227-L239 HydrophobicContact CB-CD1 4.47Å; Q227-L239 HydrophobicContact CG-CB 4.02Å; Q227-L239 HydrophobicContact CG-CD1 3.75Å; Q227-L239 HydrophobicContact CG-CG 4.31Å |
| 228 | R | 67.8 | Low | 70.8 | Confident | 41 Ų | 41 | 29.4 Ų | 29.4 | 16% | 0.155 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -71.2 | -39.1 | 178.6 | -74.3 | 169.3 | 173.4 | -133.4 | 6.8 | 113.2 | E118 D126 E224 A225 A226 A230 R231 V232 | E118-R228 HydrophobicContact CB-CB 4.26Å; D126-R228 IonicContact OD2-CZ 3.94Å; D126-R228 IonicContact OD2-NH1 3.04Å; D126-R228 PolarHBondContact OD2-NH1 2.92Å; D126-R228 IonicContact OD2-NH2 3.92Å; D126-R228 PolarHBondContact OD2-NH2 3.18Å; E224-R228 WeakPolarHBondContact O-CG 3.3Å; E224-R228 PolarHBondContact O-N 2.95Å; E224-R228 IonicContact OE1-CZ 3.2Å; E224-R228 IonicContact OE1-NE 3.23Å; E224-R228 PolarHBondContact OE1-NE 3.39Å; E224-R228 IonicContact OE1-NH2 2.61Å; A225-R228 PolarHBondContact O-N 3.22Å; A226-R228 VanDerWaalsContact C-N 3.32Å; A226-R228 PolarHBondContact O-N 3.29Å; R228-A230 VanDerWaalsContact C-N 3.28Å; R228-A230 PolarHBondContact O-N 3.05Å; R228-R231 PolarHBondContact O-N 2.91Å; R228-V232 PolarHBondContact O-N 2.89Å |
| 229 | Q | 68.9 | Low | 69.8 | Low | 13 Ų | 13 | 29.6 Ų | 29.6 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.4 | -45 | 169.3 | -65.7 | -179.1 | -50.3 | 0 | 0 | 110.7 | V115 A119 A225 A226 R231 V232 Y233 | V115-Q229 HydrophobicContact CG1-CB 4.35Å; A119-Q229 VanDerWaalsContact CB-CD 3.42Å; A119-Q229 HydrophobicContact CB-CG 3.41Å; A119-Q229 VanDerWaalsContact CB-CG 3.41Å; A225-Q229 WeakPolarHBondContact O-CG 3.48Å; A225-Q229 PolarHBondContact O-N 2.99Å; A226-Q229 PolarHBondContact O-N 3.48Å; Q229-R231 PolarHBondContact O-N 3.4Å; Q229-V232 PolarHBondContact O-N 2.93Å; Q229-Y233 WeakPolarHBondContact O-CB 3.14Å; Q229-Y233 PolarHBondContact O-N 3.32Å; Q229-Y233 VanDerWaalsContact O-N 3.09Å |
| 230 | A | 68.6 | Low | 68.4 | Low | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L199 A226 Q227 R228 V232 Y233 L234 L239 | L199-A230 HydrophobicContact CD2-CB 3.67Å; A226-A230 WeakPolarHBondContact O-CB 3.33Å; A226-A230 PolarHBondContact O-N 3.22Å; Q227-A230 WeakPolarHBondContact O-CB 3.4Å; Q227-A230 PolarHBondContact O-N 2.94Å; R228-A230 VanDerWaalsContact C-N 3.28Å; R228-A230 PolarHBondContact O-N 3.05Å; A230-V232 VanDerWaalsContact C-N 3.26Å; A230-V232 PolarHBondContact O-N 3.43Å; A230-Y233 PolarHBondContact O-N 2.88Å; A230-L234 CarbonylContact O-C 3.57Å; A230-L234 VanDerWaalsContact O-CA 3.29Å; A230-L234 WeakPolarHBondContact O-CA 3.42Å; A230-L234 PolarHBondContact O-N 2.66Å; A230-L239 HydrophobicContact CB-CD1 4.14Å; A230-L239 HydrophobicContact CB-CG 4.45Å |
| 231 | R | 67.7 | Low | 66.7 | Low | 81 Ų | 81 | 31.1 Ų | 31.1 | 31% | 0.306 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.8 | -31.7 | 179.7 | -74.1 | 174.6 | -166.4 | 159.3 | 12.2 | 113.7 | T28 E224 Q227 R228 Q229 | T28-R231 WeakPolarHBondContact OG1-CD 3.47Å; T28-R231 PolarHBondContact OG1-NE 3.43Å; E224-R231 IonicContact OE1-NH2 3.87Å; Q227-R231 WeakPolarHBondContact O-CG 3.33Å; Q227-R231 PolarHBondContact O-N 3.44Å; R228-R231 PolarHBondContact O-N 2.91Å; Q229-R231 PolarHBondContact O-N 3.4Å |
| 232 | V | 64.4 | Low | 64.8 | Low | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -77.2 | -50.9 | 174.3 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | K110 A114 V115 E118 R228 Q229 A230 | K110-V232 WeakPolarHBondContact CE-O 3.49Å; K110-V232 HydrophobicContact CG-CG1 4.09Å; K110-V232 PolarHBondContact NZ-O 2.8Å; A114-V232 HydrophobicContact CB-CG1 3.79Å; V115-V232 HydrophobicContact CG2-CB 4.45Å; V115-V232 HydrophobicContact CG2-CG1 4.01Å; E118-V232 HydrophobicContact CB-CG2 3.97Å; E118-V232 HydrophobicContact CG-CG2 3.2Å; R228-V232 PolarHBondContact O-N 2.89Å; Q229-V232 PolarHBondContact O-N 2.93Å; A230-V232 VanDerWaalsContact C-N 3.26Å; A230-V232 PolarHBondContact O-N 3.43Å |
| 233 | Y | 62.6 | Low | 62.8 | Low | 47 Ų | 47 | 39.4 Ų | 39.4 | 18% | 0.184 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -79.6 | -42.1 | -166.2 | -170.9 | -111.7 | 0 | 0 | 0 | 111.9 | W10 Y14 V115 Q229 A230 | W10-Y233 HydrophobicContact CB-CE2 4.18Å; W10-Y233 WeakPolarHBondContact CB-OH 2.78Å; W10-Y233 HydrophobicContact CG-CE1 4.45Å; W10-Y233 AromaticContact CG-CZ 3.74Å; Y14-Y233 PolarHBondContact OH-O 3.18Å; V115-Y233 HydrophobicContact CG2-CD2 3.95Å; V115-Y233 HydrophobicContact CG2-CG 4.3Å; Q229-Y233 WeakPolarHBondContact O-CB 3.14Å; Q229-Y233 PolarHBondContact O-N 3.32Å; Q229-Y233 VanDerWaalsContact O-N 3.09Å; A230-Y233 PolarHBondContact O-N 2.88Å |
| 234 | L | 67 | Low | 60.9 | Low | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | -131.3 | 74.3 | -177.3 | -58 | 167.3 | 0 | 0 | 0 | 109 | D192 C196 L199 A230 Y236 C237 | D192-L234 HydrophobicContact CB-CD2 4.13Å; C196-L234 HydrophobicContact CB-CD1 4.3Å; L199-L234 HydrophobicContact CD2-CD1 4.23Å; A230-L234 CarbonylContact O-C 3.57Å; A230-L234 VanDerWaalsContact O-CA 3.29Å; A230-L234 WeakPolarHBondContact O-CA 3.42Å; A230-L234 PolarHBondContact O-N 2.66Å; L234-Y236 PolarHBondContact O-N 2.04Å; L234-C237 HydrophobicContact CB-CB 3.54Å; L234-C237 HydrophobicContact CD1-CB 4.32Å; L234-C237 VanDerWaalsContact O-CB 3.24Å; L234-C237 WeakPolarHBondContact O-CB 3.28Å; L234-C237 PolarHBondContact O-N 3.34Å | ||
| 235 | P | 62.8 | Low | 59.3 | Low | 24 Ų | 24 | 47 Ų | 47 | 16% | 0.156 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.4 | -174.2 | 21.7 | -33 | 0 | 0 | 0 | 113.2 | A29 C237 | A29-P235 WeakPolarHBondContact CB-O 3.29Å; P235-C237 VanDerWaalsContact C-N 3.34Å |
| 236 | Y | 61.7 | Low | 58 | Low | 121 Ų | 121 | 49.8 Ų | 49.8 | 48% | 0.475 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.9 | 177.6 | -50.9 | -66.5 | 0 | 0 | 0 | 114.2 | Y14 L234 | Y14-Y236 HydrophobicContact CD1-CE2 4.25Å; Y14-Y236 HydrophobicContact CE1-CE2 4.26Å; L234-Y236 PolarHBondContact O-N 2.04Å |
| 237 | C | 65.8 | Low | 57 | Low | 13 Ų | 13 | 52.1 Ų | 52.1 | 9% | 0.088 | 29% | 0.289 | C | S | . | . | trans | -85.6 | 114.9 | -178.7 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | C196 L234 P235 | C196-C237 WeakPolarHBondContact CA-SG 3.33Å; C196-C237 HydrophobicContact CB-CB 3.53Å; C196-C237 WeakPolarHBondContact CB-SG 3.05Å; C196-C237 WeakPolarHBondContact SG-CA 3.44Å; C196-C237 WeakPolarHBondContact SG-CB 3.49Å; C196-C237 CovalentContact SG-SG 2.03Å; C196-C237 PolarHBondContact SG-SG 2.83Å; L234-C237 HydrophobicContact CB-CB 3.54Å; L234-C237 HydrophobicContact CD1-CB 4.32Å; L234-C237 VanDerWaalsContact O-CB 3.24Å; L234-C237 WeakPolarHBondContact O-CB 3.28Å; L234-C237 PolarHBondContact O-N 3.34Å; P235-C237 VanDerWaalsContact C-N 3.34Å | ||
| 238 | I | 64.4 | Low | 56.6 | Low | 77 Ų | 77 | 57.9 Ų | 57.9 | 40% | 0.395 | 32% | 0.32 | S | S | . | . | trans | -99.9 | 105.1 | 172.5 | -56.2 | 175.5 | 0 | 0 | 0 | 107.7 | Y22 Q200 | Y22-I238 HydrophobicContact CD1-CD1 4.04Å; Y22-I238 HydrophobicContact CE1-CD1 3.79Å; Q200-I238 PolarHBondContact NE2-O 2.99Å | ||
| 239 | L | 60.3 | Low | 56.5 | Low | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | trans | -70.2 | 132.8 | 175.4 | -62.6 | 179.4 | 0 | 0 | 0 | 110.4 | L199 Q200 V203 A226 Q227 A230 G241 | L199-L239 HydrophobicContact CB-CD2 4.42Å; L199-L239 HydrophobicContact CD2-CD1 4.32Å; L199-L239 HydrophobicContact CD2-CD2 4.03Å; L199-L239 HydrophobicContact CG-CD2 3.9Å; Q200-L239 HydrophobicContact CB-CD2 4.39Å; Q200-L239 HydrophobicContact CG-CD2 3.62Å; V203-L239 HydrophobicContact CG2-CD1 4.15Å; A226-L239 HydrophobicContact CB-CD1 4.41Å; Q227-L239 HydrophobicContact CB-CD1 4.47Å; Q227-L239 HydrophobicContact CG-CB 4.02Å; Q227-L239 HydrophobicContact CG-CD1 3.75Å; Q227-L239 HydrophobicContact CG-CG 4.31Å; A230-L239 HydrophobicContact CB-CD1 4.14Å; A230-L239 HydrophobicContact CB-CG 4.45Å; L239-G241 PolarHBondContact O-N 3.02Å | ||
| 240 | A | 54.9 | Low | 56.6 | Low | 70 Ų | 70 | 62.6 Ų | 62.6 | 58% | 0.579 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 137.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 241 | G | 44.3 | Very low | 56.8 | Low | 35 Ų | 35 | 67.6 Ų | 67.6 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.1 | 8.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L239 H243 | L239-G241 PolarHBondContact O-N 3.02Å; G241-H243 VanDerWaalsContact C-N 3.29Å; G241-H243 PolarHBondContact O-N 3.44Å |
| 242 | C | 36.2 | Very low | 57.4 | Low | 50 Ų | 50 | 69 Ų | 69 | 34% | 0.338 | 39% | 0.393 | S | S | . | . | trans | -59.1 | 101.3 | 151.4 | -79.1 | 0 | 0 | 0 | 0 | 107.1 | P244 | C242-P244 WeakPolarHBondContact O-CD 3.37Š| ||
| 243 | H | 35.4 | Very low | 58.3 | Low | 147 Ų | 147 | 73.7 Ų | 73.7 | 68% | 0.681 | 42% | 0.417 | S | S | * | . | trans | -62 | 117.1 | 160.1 | -101.7 | -79.2 | 0 | 0 | 0 | 105.7 | G241 N245 | G241-H243 VanDerWaalsContact C-N 3.29Å; G241-H243 PolarHBondContact O-N 3.44Å; H243-N245 PolarHBondContact O-N 2.96Å | ||
| 244 | P | 36.6 | Very low | 59.2 | Low | 81 Ų | 81 | 74.7 Ų | 74.7 | 53% | 0.526 | 43% | 0.43 | S | S | . | . | trans | -62.1 | 97.1 | 149.2 | 29.3 | -29.2 | 0 | 0 | 0 | 104.1 | C242 S246 | C242-P244 WeakPolarHBondContact O-CD 3.37Å; P244-S246 PolarHBondContact O-N 3.44Å | ||
| 245 | N | 40.4 | Very low | 60 | Low | 148 Ų | 148 | 77.1 Ų | 77.1 | 79% | 0.791 | 45% | 0.451 | S | S | * | . | trans | -69.4 | 46.8 | 148.2 | -78 | -5.2 | 0 | 0 | 0 | 107.9 | H243 S247 | H243-N245 PolarHBondContact O-N 2.96Å; N245-S247 PolarHBondContact O-N 3.04Å | ||
| 246 | S | 43.7 | Very low | 61.2 | Low | 61 Ų | 61 | 78.3 Ų | 78.3 | 43% | 0.427 | 46% | 0.463 | S | S | . | . | trans | -69.3 | 88.9 | 154.8 | -60.3 | 0 | 0 | 0 | 0 | 103.2 | P244 L248 | P244-S246 PolarHBondContact O-N 3.44Å; S246-L248 PolarHBondContact O-N 3.36Å | ||
| 247 | S | 52.4 | Low | 62.5 | Low | 55 Ų | 55 | 76.4 Ų | 76.4 | 39% | 0.385 | 46% | 0.46 | S | S | . | . | trans | -52.7 | 132 | 165.5 | 77 | 0 | 0 | 0 | 0 | 105.7 | N245 S249 L250 L251 | N245-S247 PolarHBondContact O-N 3.04Å; S247-S249 PolarHBondContact O-N 2.99Å; S247-S249 WeakPolarHBondContact OG-CB 3.06Å; S247-L250 PolarHBondContact O-N 3.02Å; S247-L250 PolarHBondContact OG-N 3.44Å; S247-L250 VanDerWaalsContact OG-N 3.09Å; S247-L251 PolarHBondContact O-N 3.08Å | ||
| 248 | L | 63.9 | Low | 63.6 | Low | 134 Ų | 134 | 81.3 Ų | 81.3 | 70% | 0.702 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -46.6 | -31.7 | 171 | -109.5 | 139.7 | 0 | 0 | 0 | 110.2 | S246 L250 L251 L252 | S246-L248 PolarHBondContact O-N 3.36Å; L248-L250 PolarHBondContact O-N 3.23Å; L248-L251 PolarHBondContact O-N 3.26Å; L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 WeakPolarHBondContact O-CD1 3.42Å; L248-L252 WeakPolarHBondContact O-CG 3.36Å; L248-L252 PolarHBondContact O-N 3.42Å |
| 249 | S | 65.2 | Low | 64.8 | Low | 78 Ų | 78 | 84.4 Ų | 84.4 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.7 | -43.9 | 172 | -33.3 | 0 | 0 | 0 | 0 | 113.9 | S247 L252 L253 | S247-S249 PolarHBondContact O-N 2.99Å; S247-S249 WeakPolarHBondContact OG-CB 3.06Å; S249-L252 PolarHBondContact O-N 2.99Å; S249-L253 WeakPolarHBondContact O-CB 2.99Å; S249-L253 PolarHBondContact O-N 3.33Å |
| 250 | L | 69.6 | Low | 66 | Low | 74 Ų | 74 | 89.9 Ų | 89.9 | 39% | 0.387 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.6 | -39.6 | 179.7 | -144.9 | 97.3 | 0 | 0 | 0 | 111.8 | W24 S247 L248 L253 C254 | W24-L250 HydrophobicContact CZ2-CD2 4.49Å; S247-L250 PolarHBondContact O-N 3.02Å; S247-L250 PolarHBondContact OG-N 3.44Å; S247-L250 VanDerWaalsContact OG-N 3.09Å; L248-L250 PolarHBondContact O-N 3.23Å; L250-L253 PolarHBondContact O-N 2.68Å; L250-C254 PolarHBondContact O-N 3.44Å; L250-C254 PolarHBondContact O-SG 3.44Å |
| 251 | L | 73 | Confident | 67.5 | Low | 110 Ų | 110 | 94.7 Ų | 94.7 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 173.4 | -86.4 | 159.8 | 0 | 0 | 0 | 111.2 | S247 L248 C254 A255 | S247-L251 PolarHBondContact O-N 3.08Å; L248-L251 PolarHBondContact O-N 3.26Å; L251-C254 PolarHBondContact O-N 3.46Å; L251-A255 WeakPolarHBondContact O-CB 3.35Å; L251-A255 PolarHBondContact O-N 3.5Å |
| 252 | L | 80.9 | Confident | 69.5 | Low | 111 Ų | 111 | 103.1 Ų | 103.1 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.1 | -38.2 | 175.3 | -72.2 | 167.5 | 0 | 0 | 0 | 112 | L248 S249 A255 A256 | L248-L252 WeakPolarHBondContact O-CB 3.42Å; L248-L252 WeakPolarHBondContact O-CD1 3.42Å; L248-L252 WeakPolarHBondContact O-CG 3.36Å; L248-L252 PolarHBondContact O-N 3.42Å; S249-L252 PolarHBondContact O-N 2.99Å; L252-A255 PolarHBondContact O-N 3.25Å; L252-A256 VanDerWaalsContact O-CB 3.26Å; L252-A256 WeakPolarHBondContact O-CB 3.37Å; L252-A256 PolarHBondContact O-N 3.34Å |
| 253 | L | 82.7 | Confident | 71.2 | Confident | 103 Ų | 103 | 109.1 Ų | 109.1 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66 | -44.8 | 176.6 | -122.8 | 148.7 | 0 | 0 | 0 | 111.6 | S249 L250 A256 L257 | S249-L253 WeakPolarHBondContact O-CB 2.99Å; S249-L253 PolarHBondContact O-N 3.33Å; L250-L253 PolarHBondContact O-N 2.68Å; L253-A256 PolarHBondContact O-N 3.14Å; L253-L257 HydrophobicContact CD2-CD1 4.06Å; L253-L257 HydrophobicContact CD2-CG 4.34Å; L253-L257 WeakPolarHBondContact O-CB 3.5Å; L253-L257 VanDerWaalsContact O-CG 3.31Å; L253-L257 WeakPolarHBondContact O-CG 3.25Å; L253-L257 PolarHBondContact O-N 3.45Å |
| 254 | C | 82.3 | Confident | 73 | Confident | 68 Ų | 68 | 107.3 Ų | 107.3 | 46% | 0.459 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.1 | -42.4 | 174.6 | -74.2 | 0 | 0 | 0 | 0 | 111.7 | L250 L251 L257 L258 | L250-C254 PolarHBondContact O-N 3.44Å; L250-C254 PolarHBondContact O-SG 3.44Å; L251-C254 PolarHBondContact O-N 3.46Å; C254-L257 PolarHBondContact O-N 3.24Å; C254-L258 WeakPolarHBondContact O-CB 3.33Å; C254-L258 VanDerWaalsContact O-CG 3.29Å; C254-L258 WeakPolarHBondContact O-CG 3.4Å; C254-L258 PolarHBondContact O-N 2.61Å |
| 255 | A | 84.6 | Confident | 74.9 | Confident | 56 Ų | 56 | 108.6 Ų | 108.6 | 46% | 0.463 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L251 L252 L258 Y259 | L251-A255 WeakPolarHBondContact O-CB 3.35Å; L251-A255 PolarHBondContact O-N 3.5Å; L252-A255 PolarHBondContact O-N 3.25Å; A255-L258 PolarHBondContact O-N 3.08Å; A255-Y259 VanDerWaalsContact O-CB 3.29Å; A255-Y259 WeakPolarHBondContact O-CB 3.45Å; A255-Y259 PolarHBondContact O-N 3.3Å |
| 256 | A | 86.6 | Confident | 76.8 | Confident | 48 Ų | 48 | 106.4 Ų | 106.4 | 40% | 0.397 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.6 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L252 L253 Y259 L260 | L252-A256 VanDerWaalsContact O-CB 3.26Å; L252-A256 WeakPolarHBondContact O-CB 3.37Å; L252-A256 PolarHBondContact O-N 3.34Å; L253-A256 PolarHBondContact O-N 3.14Å; A256-Y259 PolarHBondContact O-N 3.07Å; A256-L260 WeakPolarHBondContact O-CB 3.41Å; A256-L260 VanDerWaalsContact O-CG 3.27Å; A256-L260 WeakPolarHBondContact O-CG 3.34Å; A256-L260 PolarHBondContact O-N 3.33Å |
| 257 | L | 89.7 | Confident | 78.8 | Confident | 81 Ų | 81 | 109.1 Ų | 109.1 | 42% | 0.424 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.4 | -45.6 | 175.1 | -72.5 | 171.2 | 0 | 0 | 0 | 111.1 | L253 C254 Y259 L260 F261 | L253-L257 HydrophobicContact CD2-CD1 4.06Å; L253-L257 HydrophobicContact CD2-CG 4.34Å; L253-L257 WeakPolarHBondContact O-CB 3.5Å; L253-L257 VanDerWaalsContact O-CG 3.31Å; L253-L257 WeakPolarHBondContact O-CG 3.25Å; L253-L257 PolarHBondContact O-N 3.45Å; C254-L257 PolarHBondContact O-N 3.24Å; L257-Y259 VanDerWaalsContact C-N 3.29Å; L257-Y259 PolarHBondContact O-N 3.03Å; L257-L260 PolarHBondContact O-N 3.35Å; L257-F261 WeakPolarHBondContact O-CD2 3.48Å; L257-F261 PolarHBondContact O-N 2.93Å |
| 258 | L | 88.8 | Confident | 80.4 | Confident | 116 Ų | 116 | 112.5 Ų | 112.5 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.9 | -41.1 | 175.3 | -76.2 | 169.3 | 0 | 0 | 0 | 111.7 | C254 A255 F261 Y262 | C254-L258 WeakPolarHBondContact O-CB 3.33Å; C254-L258 VanDerWaalsContact O-CG 3.29Å; C254-L258 WeakPolarHBondContact O-CG 3.4Å; C254-L258 PolarHBondContact O-N 2.61Å; A255-L258 PolarHBondContact O-N 3.08Å; L258-F261 PolarHBondContact O-N 2.81Å; L258-Y262 WeakPolarHBondContact O-CB 3.43Å; L258-Y262 PolarHBondContact O-N 3.42Å; L258-Y262 VanDerWaalsContact O-N 3.09Å |
| 259 | Y | 88.8 | Confident | 81.5 | Confident | 143 Ų | 143 | 111.1 Ų | 111.1 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.8 | -42.5 | 174.9 | -176.6 | -97.3 | 0 | 0 | 0 | 112.1 | A255 A256 L257 F261 Y262 M263 | A255-Y259 VanDerWaalsContact O-CB 3.29Å; A255-Y259 WeakPolarHBondContact O-CB 3.45Å; A255-Y259 PolarHBondContact O-N 3.3Å; A256-Y259 PolarHBondContact O-N 3.07Å; L257-Y259 VanDerWaalsContact C-N 3.29Å; L257-Y259 PolarHBondContact O-N 3.03Å; Y259-F261 VanDerWaalsContact C-N 3.32Å; Y259-F261 PolarHBondContact O-N 3.15Å; Y259-Y262 PolarHBondContact O-N 2.98Å; Y259-M263 HydrophobicContact CD1-CG 4.36Å; Y259-M263 HydrophobicContact CD2-CG 4.49Å; Y259-M263 HydrophobicContact CE1-CG 3.95Å; Y259-M263 HydrophobicContact CE2-CE 3.8Å; Y259-M263 HydrophobicContact CE2-CG 4.09Å; Y259-M263 WeakPolarHBondContact O-CB 3.45Å; Y259-M263 PolarHBondContact O-N 3.19Å; Y259-M263 WeakPolarHBondContact OH-CE 3.41Å |
| 260 | L | 87 | Confident | 82.7 | Confident | 118 Ų | 118 | 113.4 Ų | 113.4 | 62% | 0.618 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.8 | -25 | 176.8 | -74.4 | 169 | 0 | 0 | 0 | 113.8 | A256 L257 | A256-L260 WeakPolarHBondContact O-CB 3.41Å; A256-L260 VanDerWaalsContact O-CG 3.27Å; A256-L260 WeakPolarHBondContact O-CG 3.34Å; A256-L260 PolarHBondContact O-N 3.33Å; L257-L260 PolarHBondContact O-N 3.35Å |
| 261 | F | 86.7 | Confident | 83.7 | Confident | 171 Ų | 171 | 116.5 Ų | 116.5 | 75% | 0.75 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -86.5 | -17.4 | 173.9 | -79 | -68 | 0 | 0 | 0 | 113.2 | L257 L258 Y259 | L257-F261 WeakPolarHBondContact O-CD2 3.48Å; L257-F261 PolarHBondContact O-N 2.93Å; L258-F261 PolarHBondContact O-N 2.81Å; Y259-F261 VanDerWaalsContact C-N 3.32Å; Y259-F261 PolarHBondContact O-N 3.15Å |
| 262 | Y | 85.1 | Confident | 84.6 | Confident | 213 Ų | 213 | 117 Ų | 117 | 84% | 0.835 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -99.6 | -14.8 | 178.5 | -113.6 | -88.8 | 0 | 0 | 0 | 114.3 | L258 Y259 | L258-Y262 WeakPolarHBondContact O-CB 3.43Å; L258-Y262 PolarHBondContact O-N 3.42Å; L258-Y262 VanDerWaalsContact O-N 3.09Å; Y259-Y262 PolarHBondContact O-N 2.98Å |
| 263 | M | 71.8 | Confident | 84.9 | Confident | 176 Ų | 176 | 117.5 Ų | 117.5 | 87% | 0.867 | 59% | 0.593 | S | S | * | * | trans | -96.6 | 0 | 169.8 | -77.5 | -69.9 | -163.8 | 0 | 0 | 110.6 | Y259 | Y259-M263 HydrophobicContact CD1-CG 4.36Å; Y259-M263 HydrophobicContact CD2-CG 4.49Å; Y259-M263 HydrophobicContact CE1-CG 3.95Å; Y259-M263 HydrophobicContact CE2-CE 3.8Å; Y259-M263 HydrophobicContact CE2-CG 4.09Å; Y259-M263 WeakPolarHBondContact O-CB 3.45Å; Y259-M263 PolarHBondContact O-N 3.19Å; Y259-M263 WeakPolarHBondContact OH-CE 3.41Å |
Retrieved 263 of 263 residues in 940.9 ms
(Link to these results)