| 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 | 48.7 | Very low | 79.9 | Confident | 244 Ų | 244 | 69.2 Ų | 69.2 | 100% | 1.202 | 36% | 0.364 | S | S | * | . | 0 | 145.4 | 0 | -72.7 | 176.3 | 171 | 0 | 0 | 107.6 | S3 | M1-S3 PolarHBondContact O-N 2.97Š| |||
| 2 | D | 61.9 | Low | 79.6 | Confident | 77 Ų | 77 | 69.1 Ų | 69.1 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | trans | -57.3 | 129.5 | 169.4 | -76.9 | 4.5 | 0 | 0 | 0 | 109.2 | F4 R57 | D2-F4 PolarHBondContact O-N 2.59Å; D2-R57 IonicContact OD2-CZ 3Å; D2-R57 VanDerWaalsContact OD2-CZ 3.23Å; D2-R57 IonicContact OD2-NH1 3.95Å; D2-R57 PolarHBondContact OD2-NH1 3Å; D2-R57 IonicContact OD2-NH2 2.64Å; D2-R57 PolarHBondContact OD2-NH2 3.38Å | ||
| 3 | S | 66.9 | Low | 79.1 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 65% | 0.65 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -66.6 | -26.2 | 173.3 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | M1 | M1-S3 PolarHBondContact O-N 2.97Š|
| 4 | F | 76.4 | Confident | 77.8 | Confident | 60 Ų | 60 | 63.6 Ų | 63.6 | 26% | 0.263 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -135.6 | 81.5 | -180 | -63.2 | -80.4 | 0 | 0 | 0 | 109.6 | D2 R57 Y135 V140 | D2-F4 PolarHBondContact O-N 2.59Å; F4-R57 PolarHBondContact O-NH1 3.11Å; F4-R57 VanDerWaalsContact O-NH1 3.16Å; F4-Y135 HydrophobicContact CB-CD2 3.61Å; F4-Y135 HydrophobicContact CB-CG 4.06Å; F4-Y135 HydrophobicContact CD2-CD2 4.43Å; F4-Y135 HydrophobicContact CG-CD2 4.24Å; F4-Y135 HydrophobicContact CG-CG 4.34Å; F4-V140 HydrophobicContact CD1-CG2 4.4Å |
| 5 | P | 87.3 | Confident | 76.2 | Confident | 33 Ų | 33 | 72.5 Ų | 72.5 | 21% | 0.214 | 39% | 0.385 | C | S | . | . | trans | -65 | 146 | 172.5 | 28.8 | -35.6 | 0 | 0 | 0 | 110.8 | L8 V140 | P5-L8 HydrophobicContact CB-CD1 3.89Å; P5-L8 HydrophobicContact CG-CB 4.23Å; P5-L8 HydrophobicContact CG-CD1 3.44Å; P5-L8 VanDerWaalsContact CG-CD1 3.44Å; P5-L8 HydrophobicContact CG-CG 4.45Å; P5-V140 WeakPolarHBondContact O-CG1 3.46Å | ||
| 6 | C | 93.1 | Very high | 74.5 | Confident | 15 Ų | 15 | 69 Ų | 69 | 10% | 0.101 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 156.6 | 176.7 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | L8 P141 C143 | C6-L8 PolarHBondContact O-N 2.76Å; C6-P141 CarbonylContact C-O 3.52Å; C6-P141 VanDerWaalsContact CA-O 3.28Å; C6-P141 WeakPolarHBondContact CA-O 3.27Å; C6-P141 HydrophobicContact CB-CG 4.38Å; C6-P141 WeakPolarHBondContact CB-O 3.47Å; C6-C143 HydrophobicContact CB-CB 4.02Å; C6-C143 WeakPolarHBondContact CB-SG 3.33Å; C6-C143 PolarHBondContact O-SG 2.91Å; C6-C143 WeakPolarHBondContact SG-CA 3.39Å; C6-C143 WeakPolarHBondContact SG-CB 3.45Å; C6-C143 CovalentContact SG-SG 2.05Å; C6-C143 PolarHBondContact SG-SG 2.77Å |
| 7 | G | 93 | Very high | 72.4 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 19.4 | 171 | 0 | 0 | 0 | 0 | 0 | 114.4 | P141 R253 F254 | G7-P141 PolarHBondContact N-O 3.47Å; G7-R253 CarbonylContact O-C 3.57Å; G7-R253 WeakPolarHBondContact O-CA 3.35Å; G7-F254 VanDerWaalsContact CA-O 3.3Å; G7-F254 WeakPolarHBondContact CA-O 3.5Å; G7-F254 WeakPolarHBondContact O-CD2 3.44Å; G7-F254 PolarHBondContact O-N 3.06Å |
| 8 | L | 92 | Very high | 70.2 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 37% | 0.366 | 40% | 0.403 | S | S | . | . | trans | -124.3 | 93.8 | -177.7 | -86 | 163.5 | 0 | 0 | 0 | 109.5 | P5 C6 G252 R253 | P5-L8 HydrophobicContact CB-CD1 3.89Å; P5-L8 HydrophobicContact CG-CB 4.23Å; P5-L8 HydrophobicContact CG-CD1 3.44Å; P5-L8 VanDerWaalsContact CG-CD1 3.44Å; P5-L8 HydrophobicContact CG-CG 4.45Å; C6-L8 PolarHBondContact O-N 2.76Å; L8-G252 WeakPolarHBondContact CD2-O 3.4Å; L8-R253 HydrophobicContact CD1-CG 4.03Å; L8-R253 HydrophobicContact CG-CG 4.06Å | ||
| 9 | P | 90.5 | Very high | 68 | Low | 26 Ų | 26 | 79.9 Ų | 79.9 | 17% | 0.169 | 42% | 0.42 | C | S | . | . | trans | -75.3 | 143 | 176.1 | 33.9 | -34.5 | 0 | 0 | 0 | 110.2 | F11 S30 P32 W33 F254 | P9-F11 WeakPolarHBondContact CB-O 3.49Å; P9-S30 WeakPolarHBondContact CB-O 3.48Å; P9-P32 HydrophobicContact CB-CG 3.86Å; P9-W33 HydrophobicContact CB-CH2 4.33Å; P9-W33 HydrophobicContact CB-CZ3 4.25Å; P9-W33 HydrophobicContact CG-CH2 4.07Å; P9-W33 HydrophobicContact CG-CZ3 4.32Å; P9-F254 HydrophobicContact CG-CD2 4.36Å; P9-F254 HydrophobicContact CG-CE2 4.21Å | ||
| 10 | K | 86.2 | Confident | 66.1 | Low | 121 Ų | 121 | 78.3 Ų | 78.3 | 53% | 0.526 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -69.6 | -38.6 | 172 | -179.5 | 173 | -179.1 | 174.4 | 0 | 111.6 | D137 | K10-D137 HydrophobicContact CD-CB 3.72Å; K10-D137 WeakPolarHBondContact CD-OD1 3.14Å; K10-D137 IonicContact NZ-OD1 3.09Å; K10-D137 PolarHBondContact NZ-OD1 2.81Å; K10-D137 IonicContact NZ-OD2 3.66Å; K10-D137 PolarHBondContact NZ-OD2 2.87Å |
| 11 | F | 83.5 | Confident | 64.7 | Low | 22 Ų | 22 | 76.3 Ų | 76.3 | 10% | 0.096 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -88.9 | 127.6 | 178.1 | -57.4 | -88 | 0 | 0 | 0 | 109.1 | P9 H29 S30 D137 Y138 I642 | P9-F11 WeakPolarHBondContact CB-O 3.49Å; F11-H29 HydrophobicContact CB-CB 4.48Å; F11-H29 HydrophobicContact CD2-CB 3.42Å; F11-H29 VanDerWaalsContact CD2-CB 3.42Å; F11-H29 HydrophobicContact CE2-CB 3.81Å; F11-H29 HydrophobicContact CG-CB 4Å; F11-S30 WeakPolarHBondContact O-CA 3.36Å; F11-D137 HydrophobicContact CE2-CB 4.09Å; F11-Y138 AromaticContact CE2-CD1 3.64Å; F11-Y138 HydrophobicContact CE2-CD1 3.64Å; F11-Y138 AromaticContact CE2-CE1 3.55Å; F11-Y138 HydrophobicContact CE2-CE1 3.55Å; F11-Y138 HydrophobicContact CZ-CD1 4.19Å; F11-Y138 AromaticContact CZ-CE1 3.61Å; F11-Y138 HydrophobicContact CZ-CE1 3.61Å; F11-I642 HydrophobicContact CE1-CD1 4.08Å |
| 12 | P | 75.8 | Confident | 64.8 | Low | 68 Ų | 68 | 68.6 Ų | 68.6 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 150.9 | 178.7 | 31.8 | -36.1 | 0 | 0 | 0 | 110.2 | A14 S30 L639 | P12-A14 PolarHBondContact O-N 3.34Å; P12-S30 VanDerWaalsContact O-CB 3.23Å; P12-S30 WeakPolarHBondContact O-CB 3.39Å; P12-L639 VanDerWaalsContact CD-CD2 3.42Å; P12-L639 HydrophobicContact CG-CD1 3.6Å; P12-L639 HydrophobicContact CG-CD2 3.77Å; P12-L639 HydrophobicContact CG-CG 4.29Å |
| 13 | L | 73.6 | Confident | 64.5 | Low | 32 Ų | 32 | 66.1 Ų | 66.1 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 137.7 | 171.7 | -62.3 | -176.6 | 0 | 0 | 0 | 110.9 | Q15 S30 L31 Y158 M195 F254 | L13-Q15 PolarHBondContact O-N 2.66Å; L13-S30 WeakPolarHBondContact CD2-O 3.37Å; L13-L31 HydrophobicContact CD2-CD2 3.71Å; L13-L31 HydrophobicContact CD2-CG 4.21Å; L13-Y158 HydrophobicContact CD1-CD2 4.21Å; L13-Y158 HydrophobicContact CD1-CE2 3.98Å; L13-M195 HydrophobicContact CD1-CE 3.53Å; L13-M195 HydrophobicContact CD1-SD 4.42Å; L13-M195 HydrophobicContact CD2-CE 3.66Å; L13-M195 HydrophobicContact CD2-SD 3.9Å; L13-M195 HydrophobicContact CG-CE 4.17Å; L13-F254 HydrophobicContact CD1-CE1 3.63Å; L13-F254 HydrophobicContact CD1-CE2 4.34Å; L13-F254 HydrophobicContact CD1-CZ 3.36Å; L13-F254 HydrophobicContact CG-CZ 3.96Å |
| 14 | A | 60.4 | Low | 64.4 | Low | 29 Ų | 29 | 63.6 Ų | 63.6 | 24% | 0.24 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 124.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P12 G16 W24 A27 | P12-A14 PolarHBondContact O-N 3.34Å; A14-G16 PolarHBondContact O-N 3.39Å; A14-W24 PolarHBondContact O-NE1 3.15Å; A14-A27 HydrophobicContact CB-CB 3.76Å |
| 15 | Q | 53.2 | Low | 64.4 | Low | 197 Ų | 197 | 64.7 Ų | 64.7 | 92% | 0.921 | 36% | 0.355 | S | S | * | . | trans | -85.8 | 87.6 | 170.1 | -64.4 | -172.2 | 19.3 | 0 | 0 | 108.7 | L13 | L13-Q15 PolarHBondContact O-N 2.66Š| ||
| 16 | G | 48.9 | Very low | 63.8 | Low | 17 Ų | 17 | 63.2 Ų | 63.2 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | trans | -67.8 | 152.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A14 N18 | A14-G16 PolarHBondContact O-N 3.39Å; G16-N18 PolarHBondContact O-N 2.61Å | ||
| 17 | P | 39.4 | Very low | 63.1 | Low | 120 Ų | 120 | 63.5 Ų | 63.5 | 78% | 0.779 | 35% | 0.349 | S | S | * | . | trans | -67.1 | 99.1 | 173.2 | 27.4 | -33.2 | 0 | 0 | 0 | 110.1 | R19 | P17-R19 PolarHBondContact O-N 3.39Š| ||
| 18 | N | 32.1 | Very low | 62.6 | Low | 98 Ų | 98 | 67.7 Ų | 67.7 | 52% | 0.524 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 62.6 | -172.6 | -133.9 | 58.2 | 0 | 0 | 0 | 112.7 | G16 W24 D197 | G16-N18 PolarHBondContact O-N 2.61Å; N18-W24 WeakPolarHBondContact OD1-CZ3 3.21Å; N18-D197 PolarHBondContact ND2-OD2 3.21Å; N18-D197 VanDerWaalsContact OD1-CG 3.26Å; N18-D197 PolarHBondContact OD1-OD1 3.36Å; N18-D197 VanDerWaalsContact OD1-OD1 3.14Å |
| 19 | R | 28.5 | Very low | 62.1 | Low | 196 Ų | 196 | 65.2 Ų | 65.2 | 74% | 0.74 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -22.4 | -177.5 | -115.1 | -177.1 | -171.8 | -169.1 | 3.9 | 115.1 | P17 | P17-R19 PolarHBondContact O-N 3.39Š|
| 20 | I | 30.9 | Very low | 62 | Low | 47 Ų | 47 | 64 Ų | 64 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -156.2 | 152 | 174.9 | 1.9 | 109.1 | 0 | 0 | 0 | 116.8 | S22 F521 L524 | I20-S22 PolarHBondContact O-N 3.29Å; I20-F521 HydrophobicContact CB-CE1 3.78Å; I20-F521 HydrophobicContact CB-CZ 3.82Å; I20-F521 HydrophobicContact CD1-CD1 3.68Å; I20-F521 HydrophobicContact CD1-CD2 3.81Å; I20-F521 HydrophobicContact CD1-CE1 3.76Å; I20-F521 HydrophobicContact CD1-CE2 3.86Å; I20-F521 HydrophobicContact CD1-CG 3.76Å; I20-F521 HydrophobicContact CD1-CZ 3.88Å; I20-F521 HydrophobicContact CG1-CD1 4.11Å; I20-F521 HydrophobicContact CG1-CD2 4.1Å; I20-F521 HydrophobicContact CG1-CE1 3.64Å; I20-F521 HydrophobicContact CG1-CE2 3.6Å; I20-F521 HydrophobicContact CG1-CG 4.37Å; I20-F521 HydrophobicContact CG1-CZ 3.4Å; I20-F521 HydrophobicContact CG2-CE1 3.42Å; I20-F521 VanDerWaalsContact CG2-CE1 3.42Å; I20-F521 HydrophobicContact CG2-CE2 4.29Å; I20-F521 HydrophobicContact CG2-CZ 3.28Å; I20-L524 HydrophobicContact CD1-CD1 4.24Å |
| 21 | G | 36.4 | Very low | 62.2 | Low | 38 Ų | 38 | 58.6 Ų | 58.6 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -70 | 58.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 22 | S | 50.4 | Low | 62.7 | Low | 81 Ų | 81 | 57.6 Ų | 57.6 | 57% | 0.566 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -136.9 | 114.8 | 158.9 | -62.8 | 0 | 0 | 0 | 0 | 104.7 | I20 | I20-S22 PolarHBondContact O-N 3.29Š|
| 23 | G | 57 | Low | 63.7 | Low | 26 Ų | 26 | 54.4 Ų | 54.4 | 27% | 0.268 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 164 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | M194 M195 | G23-M194 WeakPolarHBondContact O-CE 3.34Å; G23-M195 CarbonylContact C-O 3.6Å; G23-M195 WeakPolarHBondContact CA-O 3.4Å |
| 24 | W | 64.7 | Low | 64.6 | Low | 39 Ų | 39 | 53 Ų | 53 | 15% | 0.148 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 160.1 | 175.2 | 59.2 | 99.1 | 0 | 0 | 0 | 111.1 | A14 N18 A26 Y158 M194 M195 D197 | A14-W24 PolarHBondContact O-NE1 3.15Å; N18-W24 WeakPolarHBondContact OD1-CZ3 3.21Å; W24-A26 PolarHBondContact O-N 2.76Å; W24-Y158 HydrophobicContact CH2-CD1 4.2Å; W24-Y158 HydrophobicContact CH2-CE1 4.17Å; W24-Y158 HydrophobicContact CZ2-CD1 4.25Å; W24-Y158 HydrophobicContact CZ2-CE1 4.19Å; W24-M194 VanDerWaalsContact C-CE 3.41Å; W24-M194 CarbonylContact O-C 3.58Å; W24-M194 WeakPolarHBondContact O-CA 3.42Å; W24-M195 HydrophobicContact CZ2-CG 4.34Å; W24-M195 PolarHBondContact N-O 3.2Å; W24-M195 PolarHBondContact O-N 3.18Å; W24-D197 HydrophobicContact CH2-CB 3.93Å; W24-D197 VanDerWaalsContact CH2-N 3.29Å; W24-D197 HydrophobicContact CZ3-CB 4.3Å |
| 25 | E | 74.8 | Confident | 66.3 | Low | 83 Ų | 83 | 51.7 Ų | 51.7 | 39% | 0.388 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 127.6 | 168.9 | -173.8 | -177.2 | 151.2 | 0 | 0 | 108.5 | H95 K192 M194 | E25-H95 IonicContact OE1-CD2 2.6Å; E25-H95 IonicContact OE1-CE1 3.88Å; E25-H95 IonicContact OE1-NE2 3.28Å; E25-H95 PolarHBondContact OE1-NE2 3.16Å; E25-K192 HydrophobicContact CG-CB 4.3Å; E25-K192 HydrophobicContact CG-CD 4.07Å; E25-K192 WeakPolarHBondContact OE1-CD 3.31Å; E25-K192 IonicContact OE1-NZ 3.69Å; E25-K192 PolarHBondContact OE1-NZ 3.06Å; E25-K192 VanDerWaalsContact OE2-CD 3.27Å; E25-K192 WeakPolarHBondContact OE2-CD 3.48Å; E25-K192 IonicContact OE2-NZ 3.56Å; E25-K192 PolarHBondContact OE2-NZ 3.22Å; E25-M194 HydrophobicContact CB-SD 4.34Å |
| 26 | A | 76.5 | Confident | 68 | Low | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 150.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | W24 K28 L31 H95 L193 M195 | W24-A26 PolarHBondContact O-N 2.76Å; A26-K28 PolarHBondContact O-N 2.85Å; A26-L31 HydrophobicContact CB-CD1 3.87Å; A26-H95 PolarHBondContact O-CE1 2.94Å; A26-L193 HydrophobicContact CB-CB 4.35Å; A26-L193 HydrophobicContact CB-CD2 4.26Å; A26-L193 HydrophobicContact CB-CG 3.98Å; A26-L193 WeakPolarHBondContact CB-O 3.27Å; A26-L193 PolarHBondContact N-O 3.06Å; A26-M195 HydrophobicContact CB-CB 4.17Å |
| 27 | A | 78.4 | Confident | 70 | Confident | 20 Ų | 20 | 42 Ų | 42 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 134.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | A14 H29 S30 | A14-A27 HydrophobicContact CB-CB 3.76Å; A27-H29 PolarHBondContact O-N 2.96Å; A27-S30 PolarHBondContact N-OG 2.99Å; A27-S30 VanDerWaalsContact O-CB 3.25Å; A27-S30 WeakPolarHBondContact O-CB 3.38Å; A27-S30 PolarHBondContact O-N 3.11Å; A27-S30 PolarHBondContact O-OG 3.24Å |
| 28 | K | 80.9 | Confident | 72.2 | Confident | 88 Ų | 88 | 37.6 Ų | 37.6 | 38% | 0.383 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | 127.5 | 176.8 | -162.1 | -173.9 | 177.8 | -175.3 | 0 | 109.7 | A26 S30 H95 E307 | A26-K28 PolarHBondContact O-N 2.85Å; K28-S30 PolarHBondContact O-N 3.1Å; K28-S30 VanDerWaalsContact O-N 3.08Å; K28-H95 HydrophobicContact CG-CB 4.07Å; K28-E307 WeakPolarHBondContact CE-OE1 3.03Å; K28-E307 WeakPolarHBondContact CE-OE2 3.27Å; K28-E307 IonicContact NZ-OE1 2.72Å; K28-E307 IonicContact NZ-OE2 2.82Å; K28-E307 PolarHBondContact NZ-OE2 2.94Å |
| 29 | H | 83.2 | Confident | 74.5 | Confident | 18 Ų | 18 | 33.1 Ų | 33.1 | 8% | 0.083 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 4.1 | -175.6 | -46.4 | -54.9 | 0 | 0 | 0 | 118.2 | F11 A27 L31 P32 Y138 E307 | F11-H29 HydrophobicContact CB-CB 4.48Å; F11-H29 HydrophobicContact CD2-CB 3.42Å; F11-H29 VanDerWaalsContact CD2-CB 3.42Å; F11-H29 HydrophobicContact CE2-CB 3.81Å; F11-H29 HydrophobicContact CG-CB 4Å; A27-H29 PolarHBondContact O-N 2.96Å; H29-L31 PolarHBondContact O-N 3.27Å; H29-L31 VanDerWaalsContact O-N 3.16Å; H29-P32 WeakPolarHBondContact O-CD 3.16Å; H29-Y138 HydrophobicContact CB-CD1 3.84Å; H29-Y138 AromaticContact CD2-CD1 3.45Å; H29-Y138 VanDerWaalsContact CD2-CD1 3.45Å; H29-Y138 WeakPolarHBondContact CD2-CD1 3.29Å; H29-Y138 AromaticContact CD2-CE1 3.6Å; H29-Y138 AromaticContact CE1-CD1 3.92Å; H29-Y138 AromaticContact CG-CD1 3.33Å; H29-Y138 AromaticContact CG-CE1 3.99Å; H29-Y138 AromaticContact ND1-CD1 3.64Å; H29-Y138 AromaticContact NE2-CD1 3.84Å; H29-Y138 AromaticContact NE2-CE1 3.94Å; H29-E307 WeakPolarHBondContact CE1-CB 3.19Å; H29-E307 VanDerWaalsContact CE1-CG 3.46Å; H29-E307 WeakPolarHBondContact CE1-CG 3.35Å; H29-E307 IonicContact CE1-OE1 2.77Å; H29-E307 PolarHBondContact CE1-OE1 2.73Å; H29-E307 VanDerWaalsContact NE2-CG 3.32Å; H29-E307 WeakPolarHBondContact NE2-CG 3.49Å; H29-E307 IonicContact NE2-OE1 3.77Å; H29-E307 PolarHBondContact NE2-OE1 3.28Å |
| 30 | S | 87.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -69.6 | -10.5 | 178.4 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | P9 F11 P12 L13 A27 K28 P32 | P9-S30 WeakPolarHBondContact CB-O 3.48Å; F11-S30 WeakPolarHBondContact O-CA 3.36Å; P12-S30 VanDerWaalsContact O-CB 3.23Å; P12-S30 WeakPolarHBondContact O-CB 3.39Å; L13-S30 WeakPolarHBondContact CD2-O 3.37Å; A27-S30 PolarHBondContact N-OG 2.99Å; A27-S30 VanDerWaalsContact O-CB 3.25Å; A27-S30 WeakPolarHBondContact O-CB 3.38Å; A27-S30 PolarHBondContact O-N 3.11Å; A27-S30 PolarHBondContact O-OG 3.24Å; K28-S30 PolarHBondContact O-N 3.1Å; K28-S30 VanDerWaalsContact O-N 3.08Å; S30-P32 VanDerWaalsContact C-CD 3.44Å; S30-P32 WeakPolarHBondContact O-CD 3.49Å |
| 31 | L | 91.4 | Very high | 78.3 | Confident | 8 Ų | 8 | 26.7 Ų | 26.7 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | trans | -123.2 | 64.4 | 177.6 | -63.8 | 171.5 | 0 | 0 | 0 | 110.7 | L13 A26 H29 W33 H34 L193 M195 | L13-L31 HydrophobicContact CD2-CD2 3.71Å; L13-L31 HydrophobicContact CD2-CG 4.21Å; A26-L31 HydrophobicContact CB-CD1 3.87Å; H29-L31 PolarHBondContact O-N 3.27Å; H29-L31 VanDerWaalsContact O-N 3.16Å; L31-W33 HydrophobicContact CD2-CZ2 3.71Å; L31-W33 PolarHBondContact O-N 3.35Å; L31-H34 HydrophobicContact CB-CB 4.1Å; L31-H34 VanDerWaalsContact O-CB 3.31Å; L31-H34 WeakPolarHBondContact O-CB 3.28Å; L31-H34 PolarHBondContact O-N 3.42Å; L31-L193 HydrophobicContact CB-CD2 4.1Å; L31-L193 HydrophobicContact CD1-CD2 3.85Å; L31-L193 HydrophobicContact CD1-CG 4.27Å; L31-M195 HydrophobicContact CD1-CB 4.41Å; L31-M195 HydrophobicContact CD1-CE 4.46Å; L31-M195 HydrophobicContact CD1-CG 4.33Å; L31-M195 HydrophobicContact CD1-SD 3.88Å; L31-M195 HydrophobicContact CD2-CE 3.77Å; L31-M195 HydrophobicContact CD2-SD 4.13Å; L31-M195 HydrophobicContact CG-SD 4.27Å | ||
| 32 | P | 93.2 | Very high | 79.2 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -4 | -169.2 | 34.4 | -40.6 | 0 | 0 | 0 | 114 | P9 H29 S30 Y138 T139 V140 | P9-P32 HydrophobicContact CB-CG 3.86Å; H29-P32 WeakPolarHBondContact O-CD 3.16Å; S30-P32 VanDerWaalsContact C-CD 3.44Å; S30-P32 WeakPolarHBondContact O-CD 3.49Å; P32-Y138 WeakPolarHBondContact CA-O 3.4Å; P32-Y138 VanDerWaalsContact CB-C 3.48Å; P32-Y138 VanDerWaalsContact CB-O 3.25Å; P32-Y138 WeakPolarHBondContact CB-O 3.48Å; P32-T139 WeakPolarHBondContact O-CA 3.07Å; P32-V140 CarbonylContact C-O 3.51Å; P32-V140 VanDerWaalsContact C-O 3.31Å; P32-V140 HydrophobicContact CB-CB 4.22Å; P32-V140 HydrophobicContact CB-CG2 4.47Å; P32-V140 HydrophobicContact CG-CB 3.92Å; P32-V140 HydrophobicContact CG-CG2 4.39Å; P32-V140 PolarHBondContact O-N 3.02Å; P32-V140 VanDerWaalsContact O-N 3.12Å |
| 33 | W | 95.8 | Very high | 79.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -17.7 | 169.6 | 46.3 | 79.3 | 0 | 0 | 0 | 113 | P9 L31 S54 L55 V140 V142 V247 F254 | P9-W33 HydrophobicContact CB-CH2 4.33Å; P9-W33 HydrophobicContact CB-CZ3 4.25Å; P9-W33 HydrophobicContact CG-CH2 4.07Å; P9-W33 HydrophobicContact CG-CZ3 4.32Å; L31-W33 HydrophobicContact CD2-CZ2 3.71Å; L31-W33 PolarHBondContact O-N 3.35Å; W33-S54 CarbonylContact O-C 3.45Å; W33-S54 VanDerWaalsContact O-CA 3.27Å; W33-S54 WeakPolarHBondContact O-CA 3.34Å; W33-L55 PolarHBondContact O-N 2.86Å; W33-V140 VanDerWaalsContact CA-O 3.29Å; W33-V140 WeakPolarHBondContact CA-O 3.48Å; W33-V140 WeakPolarHBondContact CB-O 3.02Å; W33-V140 PolarHBondContact N-O 2.02Å; W33-V140 VanDerWaalsContact N-O 3.16Å; W33-V142 HydrophobicContact CB-CB 3.92Å; W33-V142 HydrophobicContact CB-CG1 4.47Å; W33-V142 HydrophobicContact CD2-CB 3.93Å; W33-V142 HydrophobicContact CD2-CG2 4.32Å; W33-V142 HydrophobicContact CE3-CB 4.35Å; W33-V142 HydrophobicContact CG-CB 3.72Å; W33-V142 HydrophobicContact CG-CG2 4.46Å; W33-V247 HydrophobicContact CZ2-CG2 4.43Å; W33-F254 HydrophobicContact CH2-CB 3.6Å; W33-F254 AromaticContact CH2-CD2 3.54Å; W33-F254 HydrophobicContact CH2-CD2 3.54Å; W33-F254 HydrophobicContact CH2-CE2 4.4Å; W33-F254 AromaticContact CH2-CG 3.62Å; W33-F254 HydrophobicContact CH2-CG 3.62Å; W33-F254 HydrophobicContact CZ2-CB 3.83Å; W33-F254 HydrophobicContact CZ2-CD1 4.46Å; W33-F254 HydrophobicContact CZ2-CD2 4.23Å; W33-F254 AromaticContact CZ2-CG 3.91Å; W33-F254 HydrophobicContact CZ2-CG 3.91Å; W33-F254 HydrophobicContact CZ3-CB 4.25Å; W33-F254 HydrophobicContact CZ3-CD2 4.42Å |
| 34 | H | 94.3 | Very high | 79.1 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 135.2 | -175.5 | -173.1 | 85.8 | 0 | 0 | 0 | 110.5 | L31 S160 H162 L193 | L31-H34 HydrophobicContact CB-CB 4.1Å; L31-H34 VanDerWaalsContact O-CB 3.31Å; L31-H34 WeakPolarHBondContact O-CB 3.28Å; L31-H34 PolarHBondContact O-N 3.42Å; H34-S160 PolarHBondContact ND1-OG 2.82Å; H34-H162 AromaticContact NE2-CE1 3.77Å; H34-H162 AromaticContact NE2-ND1 3.41Å; H34-H162 PolarHBondContact NE2-ND1 3.47Å; H34-L193 HydrophobicContact CB-CD2 4.08Å; H34-L193 VanDerWaalsContact NE2-CD1 3.34Å; H34-L193 WeakPolarHBondContact NE2-CD1 3.1Å |
| 35 | V | 94.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.1 | 173 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | I37 G52 G53 L55 V67 V90 T91 V92 | V35-I37 HydrophobicContact CG2-CG1 4.19Å; V35-G52 WeakPolarHBondContact O-CA 3.47Å; V35-G53 PolarHBondContact N-O 3.38Å; V35-G53 VanDerWaalsContact N-O 3.1Å; V35-G53 PolarHBondContact O-N 3.4Å; V35-L55 HydrophobicContact CG1-CD1 4.37Å; V35-L55 HydrophobicContact CG1-CD2 4.13Å; V35-L55 HydrophobicContact CG1-CG 3.75Å; V35-V67 HydrophobicContact CG1-CG2 4.49Å; V35-V67 HydrophobicContact CG2-CG1 3.59Å; V35-V67 HydrophobicContact CG2-CG2 4.05Å; V35-V90 HydrophobicContact CB-CG1 3.63Å; V35-V90 HydrophobicContact CG1-CG1 4Å; V35-V90 HydrophobicContact CG2-CG1 3.81Å; V35-T91 WeakPolarHBondContact CA-O 3.48Å; V35-T91 WeakPolarHBondContact CB-O 3.39Å; V35-V92 HydrophobicContact CG1-CB 4.46Å; V35-V92 HydrophobicContact CG1-CG1 3.86Å |
| 36 | H | 90.6 | Very high | 77.4 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.2 | 172.9 | 177.2 | -116.6 | 0 | 0 | 0 | 109.5 | M38 Q50 V90 T91 V94 V97 | H36-M38 WeakPolarHBondContact CE1-CG 3.5Å; H36-M38 PolarHBondContact CE1-SD 3.46Å; H36-Q50 WeakPolarHBondContact NE2-CB 3.14Å; H36-Q50 WeakPolarHBondContact NE2-CG 3.24Å; H36-Q50 PolarHBondContact NE2-NE2 3.08Å; H36-Q50 PolarHBondContact NE2-OE1 2.76Å; H36-V90 CarbonylContact O-C 3.47Å; H36-T91 PolarHBondContact N-O 3Å; H36-T91 PolarHBondContact O-N 3.34Å; H36-V94 HydrophobicContact CB-CG1 3.8Å; H36-V97 HydrophobicContact CB-CG1 4.23Å |
| 37 | I | 90.3 | Very high | 76.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.4 | -175.8 | -51.4 | 176.6 | 0 | 0 | 0 | 108.3 | V35 I39 Q50 C51 G52 V67 T69 I88 V90 L127 | V35-I37 HydrophobicContact CG2-CG1 4.19Å; I37-I39 HydrophobicContact CG2-CD1 3.97Å; I37-I39 HydrophobicContact CG2-CG1 4.18Å; I37-Q50 WeakPolarHBondContact O-CA 3.28Å; I37-C51 HydrophobicContact CB-CB 4.22Å; I37-C51 WeakPolarHBondContact CB-O 3.47Å; I37-C51 PolarHBondContact N-O 2.84Å; I37-C51 PolarHBondContact O-N 3.41Å; I37-G52 VanDerWaalsContact CD1-O 3.27Å; I37-G52 WeakPolarHBondContact CD1-O 3.42Å; I37-V67 HydrophobicContact CD1-CG1 4.05Å; I37-T69 HydrophobicContact CD1-CG2 3.96Å; I37-T69 WeakPolarHBondContact CD1-OG1 3.41Å; I37-I88 HydrophobicContact CG2-CG2 3.69Å; I37-V90 HydrophobicContact CG1-CG2 4.47Å; I37-L127 HydrophobicContact CD1-CD1 3.85Å; I37-L127 HydrophobicContact CG2-CD1 4.2Å |
| 38 | M | 84.8 | Confident | 75.6 | Confident | 27 Ų | 27 | 44 Ų | 44 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.2 | 170.7 | -73.9 | -67.6 | -58.9 | 0 | 0 | 109.4 | H36 F40 Q50 I88 I89 | H36-M38 WeakPolarHBondContact CE1-CG 3.5Å; H36-M38 PolarHBondContact CE1-SD 3.46Å; M38-F40 HydrophobicContact CB-CD2 4.41Å; M38-F40 HydrophobicContact CB-CE1 4.44Å; M38-F40 HydrophobicContact CB-CE2 3.62Å; M38-F40 HydrophobicContact CB-CZ 3.65Å; M38-F40 HydrophobicContact CE-CD1 4.31Å; M38-F40 HydrophobicContact CE-CE1 3.56Å; M38-F40 HydrophobicContact CE-CZ 3.79Å; M38-F40 HydrophobicContact CG-CZ 4.16Å; M38-Q50 HydrophobicContact SD-CG 3.68Å; M38-I88 WeakPolarHBondContact O-CA 3.36Å; M38-I89 PolarHBondContact N-O 3.19Å; M38-I89 PolarHBondContact O-N 2.86Å |
| 39 | I | 81.5 | Confident | 75.1 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 108 | 174.4 | -56.5 | 107.7 | 0 | 0 | 0 | 108.9 | I37 G48 T49 C51 C73 I83 K87 I88 | I37-I39 HydrophobicContact CG2-CD1 3.97Å; I37-I39 HydrophobicContact CG2-CG1 4.18Å; I39-G48 CarbonylContact O-C 3.21Å; I39-G48 WeakPolarHBondContact O-CA 3.39Å; I39-T49 PolarHBondContact N-O 2.75Å; I39-T49 PolarHBondContact O-N 2.9Å; I39-C51 HydrophobicContact CD1-CB 4.43Å; I39-C73 WeakPolarHBondContact CD1-O 3.49Å; I39-I83 HydrophobicContact CG2-CB 4.49Å; I39-I83 HydrophobicContact CG2-CD1 3.72Å; I39-I83 HydrophobicContact CG2-CG2 3.73Å; I39-K87 WeakPolarHBondContact CA-O 3.26Å; I39-I88 HydrophobicContact CG1-CG1 4.24Å; I39-I88 HydrophobicContact CG1-CG2 4.3Å; I39-I88 HydrophobicContact CG2-CG1 4.33Å |
| 40 | F | 73.8 | Confident | 75 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 138.2 | -170.7 | -65.7 | -78 | 0 | 0 | 0 | 114 | M38 E45 V47 K87 I89 R104 | M38-F40 HydrophobicContact CB-CD2 4.41Å; M38-F40 HydrophobicContact CB-CE1 4.44Å; M38-F40 HydrophobicContact CB-CE2 3.62Å; M38-F40 HydrophobicContact CB-CZ 3.65Å; M38-F40 HydrophobicContact CE-CD1 4.31Å; M38-F40 HydrophobicContact CE-CE1 3.56Å; M38-F40 HydrophobicContact CE-CZ 3.79Å; M38-F40 HydrophobicContact CG-CZ 4.16Å; F40-E45 VanDerWaalsContact CD1-CA 3.44Å; F40-E45 HydrophobicContact CD1-CB 3.86Å; F40-E45 HydrophobicContact CD1-CG 4.25Å; F40-E45 WeakPolarHBondContact CD1-O 3.4Å; F40-E45 HydrophobicContact CD2-CG 4.06Å; F40-E45 HydrophobicContact CE1-CB 3.81Å; F40-E45 HydrophobicContact CE1-CG 4.34Å; F40-E45 WeakPolarHBondContact CE1-O 3.49Å; F40-E45 HydrophobicContact CE2-CB 4.5Å; F40-E45 HydrophobicContact CE2-CG 4.18Å; F40-E45 HydrophobicContact CG-CB 4.21Å; F40-E45 HydrophobicContact CG-CG 4.09Å; F40-E45 HydrophobicContact CZ-CB 4.14Å; F40-E45 HydrophobicContact CZ-CG 4.31Å; F40-V47 WeakPolarHBondContact CA-O 3.37Å; F40-K87 PolarHBondContact N-O 2.85Å; F40-K87 WeakPolarHBondContact O-CD 3.31Å; F40-I89 HydrophobicContact CD2-CD1 4.37Å; F40-I89 HydrophobicContact CE2-CB 4.12Å; F40-I89 HydrophobicContact CE2-CD1 3.9Å; F40-I89 HydrophobicContact CE2-CG1 4.18Å; F40-R104 VanDerWaalsContact CZ-NH2 3.27Å |
| 41 | N | 64.1 | Low | 75 | Confident | 92 Ų | 92 | 44.4 Ų | 44.4 | 49% | 0.492 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -64.5 | -44.1 | 177.9 | -56.3 | 15.8 | 0 | 0 | 0 | 110.5 | V47 G48 K87 | N41-V47 PolarHBondContact N-O 2.76Å; N41-V47 WeakPolarHBondContact ND2-CG1 3.29Å; N41-V47 PolarHBondContact OD1-O 3.3Å; N41-G48 WeakPolarHBondContact OD1-CA 3.13Å; N41-K87 PolarHBondContact O-NZ 2.88Å |
| 42 | S | 57.1 | Low | 75 | Confident | 41 Ų | 41 | 44 Ų | 44 | 29% | 0.287 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -128.2 | 161.7 | -172.8 | 61 | 0 | 0 | 0 | 0 | 111.5 | E44 E45 | S42-E44 PolarHBondContact O-N 2.85Å; S42-E45 PolarHBondContact O-N 2.77Å |
| 43 | V | 52.7 | Low | 75.1 | Confident | 141 Ų | 141 | 44 Ų | 44 | 86% | 0.855 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.6 | 175.7 | -173.5 | 0 | 0 | 0 | 0 | 112 | E45 | V43-E45 PolarHBondContact O-N 3.38Š|
| 44 | E | 52.5 | Low | 75.1 | Confident | 126 Ų | 126 | 44 Ų | 44 | 59% | 0.589 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -2.5 | 179.8 | -59.2 | 171 | -153.4 | 0 | 0 | 114.2 | S42 K46 | S42-E44 PolarHBondContact O-N 2.85Å; E44-K46 HydrophobicContact CB-CD 4.17Å; E44-K46 HydrophobicContact CB-CG 4.13Å; E44-K46 PolarHBondContact O-N 3.16Å; E44-K46 WeakPolarHBondContact OE2-CD 3.49Å; E44-K46 VanDerWaalsContact OE2-CE 3.23Å; E44-K46 WeakPolarHBondContact OE2-CE 3.44Å; E44-K46 IonicContact OE2-NZ 2.71Å; E44-K46 PolarHBondContact OE2-NZ 2.76Å |
| 45 | E | 60.1 | Low | 75.3 | Confident | 79 Ų | 79 | 43.8 Ų | 43.8 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | trans | 54.8 | 15.1 | -179.4 | -63 | -168 | -171.1 | 0 | 0 | 116.5 | F40 S42 V43 I89 R104 | F40-E45 VanDerWaalsContact CD1-CA 3.44Å; F40-E45 HydrophobicContact CD1-CB 3.86Å; F40-E45 HydrophobicContact CD1-CG 4.25Å; F40-E45 WeakPolarHBondContact CD1-O 3.4Å; F40-E45 HydrophobicContact CD2-CG 4.06Å; F40-E45 HydrophobicContact CE1-CB 3.81Å; F40-E45 HydrophobicContact CE1-CG 4.34Å; F40-E45 WeakPolarHBondContact CE1-O 3.49Å; F40-E45 HydrophobicContact CE2-CB 4.5Å; F40-E45 HydrophobicContact CE2-CG 4.18Å; F40-E45 HydrophobicContact CG-CB 4.21Å; F40-E45 HydrophobicContact CG-CG 4.09Å; F40-E45 HydrophobicContact CZ-CB 4.14Å; F40-E45 HydrophobicContact CZ-CG 4.31Å; S42-E45 PolarHBondContact O-N 2.77Å; V43-E45 PolarHBondContact O-N 3.38Å; E45-I89 WeakPolarHBondContact OE1-CD1 3.24Å; E45-R104 IonicContact OE1-NH2 3.24Å; E45-R104 IonicContact OE2-CZ 3.23Å; E45-R104 VanDerWaalsContact OE2-CZ 3.24Å; E45-R104 IonicContact OE2-NH1 2.75Å; E45-R104 PolarHBondContact OE2-NH1 2.93Å; E45-R104 IonicContact OE2-NH2 2.72Å; E45-R104 PolarHBondContact OE2-NH2 2.98Å | ||
| 46 | K | 43.4 | Very low | 75.4 | Confident | 158 Ų | 158 | 43.8 Ų | 43.8 | 69% | 0.687 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -73.7 | -32.4 | -174.3 | -69.4 | 174.6 | -176.5 | 163.1 | 0 | 114.9 | E44 | E44-K46 HydrophobicContact CB-CD 4.17Å; E44-K46 HydrophobicContact CB-CG 4.13Å; E44-K46 PolarHBondContact O-N 3.16Å; E44-K46 WeakPolarHBondContact OE2-CD 3.49Å; E44-K46 VanDerWaalsContact OE2-CE 3.23Å; E44-K46 WeakPolarHBondContact OE2-CE 3.44Å; E44-K46 IonicContact OE2-NZ 2.71Å; E44-K46 PolarHBondContact OE2-NZ 2.76Å |
| 47 | V | 53.2 | Low | 75.4 | Confident | 85 Ų | 85 | 45.5 Ų | 45.5 | 52% | 0.515 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -140.2 | 140.3 | -176.6 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | F40 N41 | F40-V47 WeakPolarHBondContact CA-O 3.37Å; N41-V47 PolarHBondContact N-O 2.76Å; N41-V47 WeakPolarHBondContact ND2-CG1 3.29Å; N41-V47 PolarHBondContact OD1-O 3.3Å |
| 48 | G | 62.7 | Low | 75.3 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 24% | 0.237 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 163.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I39 N41 | I39-G48 CarbonylContact O-C 3.21Å; I39-G48 WeakPolarHBondContact O-CA 3.39Å; N41-G48 WeakPolarHBondContact OD1-CA 3.13Å |
| 49 | T | 71.7 | Confident | 75.2 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 41% | 0.405 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 155.9 | 165.1 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | I39 | I39-T49 PolarHBondContact N-O 2.75Å; I39-T49 PolarHBondContact O-N 2.9Å |
| 50 | Q | 80.5 | Confident | 75 | Confident | 43 Ų | 43 | 54 Ų | 54 | 20% | 0.201 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.9 | -177.9 | -53.7 | -160.8 | 1.9 | 0 | 0 | 110.8 | H36 I37 M38 L189 | H36-Q50 WeakPolarHBondContact NE2-CB 3.14Å; H36-Q50 WeakPolarHBondContact NE2-CG 3.24Å; H36-Q50 PolarHBondContact NE2-NE2 3.08Å; H36-Q50 PolarHBondContact NE2-OE1 2.76Å; I37-Q50 WeakPolarHBondContact O-CA 3.28Å; M38-Q50 HydrophobicContact SD-CG 3.68Å; Q50-L189 VanDerWaalsContact CD-CD1 3.47Å; Q50-L189 HydrophobicContact CG-CD1 4.11Å |
| 51 | C | 88.1 | Confident | 75.5 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 160.2 | 170.5 | -81.9 | 0 | 0 | 0 | 0 | 110.9 | I37 I39 C73 S242 | I37-C51 HydrophobicContact CB-CB 4.22Å; I37-C51 WeakPolarHBondContact CB-O 3.47Å; I37-C51 PolarHBondContact N-O 2.84Å; I37-C51 PolarHBondContact O-N 3.41Å; I39-C51 HydrophobicContact CD1-CB 4.43Å; C51-C73 HydrophobicContact CB-CB 3.79Å; C51-C73 WeakPolarHBondContact CB-SG 3.47Å; C51-C73 WeakPolarHBondContact SG-CB 3.25Å; C51-C73 CovalentContact SG-SG 2.03Å; C51-C73 PolarHBondContact SG-SG 2.94Å; C51-S242 CarbonylContact C-O 3.59Å; C51-S242 VanDerWaalsContact CA-O 3.31Å; C51-S242 WeakPolarHBondContact CA-O 3.28Å; C51-S242 WeakPolarHBondContact CB-O 3.33Å; C51-S242 VanDerWaalsContact SG-CB 3.56Å |
| 52 | G | 90.7 | Very high | 76.7 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 170.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V35 I37 T69 S242 G243 | V35-G52 WeakPolarHBondContact O-CA 3.47Å; I37-G52 VanDerWaalsContact CD1-O 3.27Å; I37-G52 WeakPolarHBondContact CD1-O 3.42Å; G52-T69 PolarHBondContact O-OG1 3.05Å; G52-S242 PolarHBondContact N-O 3.38Å; G52-G243 CarbonylContact O-C 3.57Å; G52-G243 WeakPolarHBondContact O-CA 3.47Å |
| 53 | G | 94.3 | Very high | 78.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | -175.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V35 L68 G243 | V35-G53 PolarHBondContact N-O 3.38Å; V35-G53 VanDerWaalsContact N-O 3.1Å; V35-G53 PolarHBondContact O-N 3.4Å; G53-L68 CarbonylContact C-O 3.54Å; G53-L68 WeakPolarHBondContact CA-O 3.46Å; G53-G243 WeakPolarHBondContact CA-O 3.48Å |
| 54 | S | 97.2 | Very high | 80.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 139.1 | 174.5 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | W33 I56 V67 L68 Q256 | W33-S54 CarbonylContact O-C 3.45Å; W33-S54 VanDerWaalsContact O-CA 3.27Å; W33-S54 WeakPolarHBondContact O-CA 3.34Å; S54-I56 PolarHBondContact O-N 2.93Å; S54-V67 CarbonylContact O-C 3.57Å; S54-V67 VanDerWaalsContact O-CA 3.3Å; S54-V67 WeakPolarHBondContact O-CA 3.41Å; S54-L68 PolarHBondContact N-O 2.91Å; S54-L68 PolarHBondContact O-N 3.37Å; S54-Q256 PolarHBondContact OG-OE1 3.42Å |
| 55 | L | 96.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 126.9 | 162.7 | -68.1 | 172.4 | 0 | 0 | 0 | 109.3 | W33 V35 V67 V92 L129 V133 P141 V142 | W33-L55 PolarHBondContact O-N 2.86Å; V35-L55 HydrophobicContact CG1-CD1 4.37Å; V35-L55 HydrophobicContact CG1-CD2 4.13Å; V35-L55 HydrophobicContact CG1-CG 3.75Å; L55-V67 HydrophobicContact CD2-CG2 4.04Å; L55-V92 HydrophobicContact CD2-CG1 4.36Å; L55-L129 HydrophobicContact CD2-CD1 4.18Å; L55-V133 HydrophobicContact CD1-CG1 4.14Å; L55-V133 HydrophobicContact CD2-CG2 4.17Å; L55-P141 HydrophobicContact CB-CB 4.4Å; L55-P141 WeakPolarHBondContact O-CA 3.06Å; L55-P141 VanDerWaalsContact O-CB 3.31Å; L55-P141 WeakPolarHBondContact O-CB 3.35Å; L55-V142 PolarHBondContact O-N 2.91Å |
| 56 | I | 96.3 | Very high | 84 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 152.1 | 178.6 | 58.7 | 159.8 | 0 | 0 | 0 | 111.3 | S54 S64 M66 L68 L126 V142 L144 I286 | S54-I56 PolarHBondContact O-N 2.93Å; I56-S64 PolarHBondContact O-OG 3.3Å; I56-M66 HydrophobicContact CD1-CE 3.75Å; I56-M66 HydrophobicContact CD1-CG 4.15Å; I56-M66 HydrophobicContact CD1-SD 4.39Å; I56-M66 HydrophobicContact CG1-CB 4.31Å; I56-M66 HydrophobicContact CG1-CE 4.17Å; I56-M66 HydrophobicContact CG1-CG 4.11Å; I56-M66 PolarHBondContact N-O 3.19Å; I56-L68 HydrophobicContact CD1-CB 3.98Å; I56-L68 HydrophobicContact CG1-CB 4.24Å; I56-L68 HydrophobicContact CG2-CB 4.01Å; I56-L68 HydrophobicContact CG2-CD2 4.33Å; I56-L126 HydrophobicContact CD1-CD2 3.92Å; I56-V142 HydrophobicContact CG2-CG1 3.97Å; I56-L144 HydrophobicContact CB-CD2 4.36Å; I56-L144 HydrophobicContact CB-CG 4.49Å; I56-L144 HydrophobicContact CD1-CD1 4.42Å; I56-L144 HydrophobicContact CD1-CD2 4.4Å; I56-L144 HydrophobicContact CG2-CD2 3.95Å; I56-L144 HydrophobicContact CG2-CG 4.48Å; I56-I286 HydrophobicContact CD1-CG2 3.97Å |
| 57 | R | 91.3 | Very high | 86.6 | Confident | 47 Ų | 47 | 34.6 Ų | 34.6 | 18% | 0.177 | 23% | 0.226 | C | C | . | . | trans | -124.9 | 140.3 | 173.5 | 73.1 | 176.2 | -165.3 | 165.8 | 16.3 | 111.3 | D2 F4 Y135 P141 | D2-R57 IonicContact OD2-CZ 3Å; D2-R57 VanDerWaalsContact OD2-CZ 3.23Å; D2-R57 IonicContact OD2-NH1 3.95Å; D2-R57 PolarHBondContact OD2-NH1 3Å; D2-R57 IonicContact OD2-NH2 2.64Å; D2-R57 PolarHBondContact OD2-NH2 3.38Å; F4-R57 PolarHBondContact O-NH1 3.11Å; F4-R57 VanDerWaalsContact O-NH1 3.16Å; R57-Y135 WeakPolarHBondContact CB-OH 3.45Å; R57-P141 HydrophobicContact CB-CB 4.35Å; R57-P141 HydrophobicContact CB-CG 4.07Å; R57-P141 HydrophobicContact CG-CB 4.35Å; R57-P141 HydrophobicContact CG-CG 3.85Å | ||
| 58 | L | 88.7 | Confident | 88.7 | Confident | 65 Ų | 65 | 30.6 Ų | 30.6 | 34% | 0.34 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -105.2 | -25.5 | 171.3 | -67.1 | -178.6 | 0 | 0 | 0 | 113.5 | M66 L144 I286 E287 D290 | L58-M66 HydrophobicContact CD1-CE 3.7Å; L58-M66 HydrophobicContact CG-CE 3.77Å; L58-L144 HydrophobicContact CD2-CD1 3.54Å; L58-I286 HydrophobicContact CD1-CG2 4.22Å; L58-I286 HydrophobicContact CD2-CG2 4.04Å; L58-I286 HydrophobicContact CG-CG2 4.46Å; L58-E287 HydrophobicContact CD1-CG 4.32Å; L58-E287 HydrophobicContact CD2-CG 4.01Å; L58-D290 HydrophobicContact CD1-CB 3.45Å; L58-D290 VanDerWaalsContact CD1-CB 3.45Å |
| 59 | G | 81.5 | Confident | 90.3 | Very high | 50 Ų | 50 | 29.5 Ų | 29.5 | 52% | 0.515 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -114 | 173 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 60 | A | 78.8 | Confident | 91.3 | Very high | 95 Ų | 95 | 26.3 Ų | 26.3 | 79% | 0.785 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -69.8 | 149.2 | 163 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 61 | G | 83.6 | Confident | 91.9 | Very high | 42 Ų | 42 | 24.3 Ų | 24.3 | 43% | 0.433 | 16% | 0.161 | S | C | . | . | S | Bend | trans | 149 | 177 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y135 | G61-Y135 VanDerWaalsContact O-CE2 3.25Å; G61-Y135 WeakPolarHBondContact O-CE2 3.38Å |
| 62 | N | 89.4 | Confident | 91.8 | Very high | 94 Ų | 94 | 25.7 Ų | 25.7 | 50% | 0.503 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -111.7 | 21.4 | 179 | 63.2 | -27.3 | 0 | 0 | 0 | 112.9 | Y135 | N62-Y135 HydrophobicContact CB-CD2 4.38Å; N62-Y135 PolarHBondContact O-N 3.08Å |
| 63 | I | 90.8 | Very high | 91.7 | Very high | 56 Ų | 56 | 25.9 Ų | 25.9 | 29% | 0.287 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 136.5 | -174.3 | -55.5 | -176.1 | 0 | 0 | 0 | 110 | V133 Y135 N299 | I63-V133 CarbonylContact C-O 3.54Å; I63-V133 VanDerWaalsContact CA-O 3.28Å; I63-V133 WeakPolarHBondContact CA-O 3.4Å; I63-Y135 VanDerWaalsContact C-CE1 3.41Å; I63-Y135 PolarHBondContact O-OH 3.37Å; I63-N299 HydrophobicContact CD1-CB 3.92Å; I63-N299 VanDerWaalsContact CD1-CG 3.41Å; I63-N299 WeakPolarHBondContact CD1-OD1 3.06Å |
| 64 | S | 94.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.5 | 165.9 | -81.2 | 0 | 0 | 0 | 0 | 109.5 | I56 V133 Y135 | I56-S64 PolarHBondContact O-OG 3.3Å; S64-V133 PolarHBondContact N-O 3.09Å; S64-V133 WeakPolarHBondContact O-CB 3.42Å; S64-V133 PolarHBondContact O-N 2.81Å; S64-Y135 PolarHBondContact N-OH 2.87Å; S64-Y135 VanDerWaalsContact OG-CE1 3.23Å; S64-Y135 WeakPolarHBondContact OG-CE1 3.35Å; S64-Y135 PolarHBondContact OG-OH 2.95Å |
| 65 | N | 95 | Very high | 91 | Very high | 49 Ų | 49 | 27 Ų | 27 | 26% | 0.262 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 11.6 | 180 | 70.1 | -6.8 | 0 | 0 | 0 | 113 | R128 L129 S296 | N65-R128 PolarHBondContact ND2-NH1 2.88Å; N65-R128 WeakPolarHBondContact O-CD 3.44Å; N65-R128 PolarHBondContact OD1-NH1 3.44Å; N65-L129 PolarHBondContact O-N 3.39Å; N65-S296 WeakPolarHBondContact CB-OG 3.41Å; N65-S296 PolarHBondContact ND2-OG 2.86Å |
| 66 | M | 96.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 132.5 | -172.9 | -174.5 | 161 | 55.9 | 0 | 0 | 110.2 | I56 L58 L126 L127 I286 D290 | I56-M66 HydrophobicContact CD1-CE 3.75Å; I56-M66 HydrophobicContact CD1-CG 4.15Å; I56-M66 HydrophobicContact CD1-SD 4.39Å; I56-M66 HydrophobicContact CG1-CB 4.31Å; I56-M66 HydrophobicContact CG1-CE 4.17Å; I56-M66 HydrophobicContact CG1-CG 4.11Å; I56-M66 PolarHBondContact N-O 3.19Å; L58-M66 HydrophobicContact CD1-CE 3.7Å; L58-M66 HydrophobicContact CG-CE 3.77Å; M66-L126 HydrophobicContact CG-CD2 4.04Å; M66-L126 HydrophobicContact SD-CB 4.4Å; M66-L126 HydrophobicContact SD-CD1 3.99Å; M66-L126 HydrophobicContact SD-CD2 3.9Å; M66-L126 HydrophobicContact SD-CG 4.32Å; M66-L127 WeakPolarHBondContact CA-O 3.47Å; M66-I286 HydrophobicContact CE-CG2 4Å; M66-D290 HydrophobicContact CE-CB 4.21Å; M66-D290 HydrophobicContact SD-CB 4.33Å |
| 67 | V | 97.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.3 | 174.4 | 169.3 | 0 | 0 | 0 | 0 | 109.2 | V35 I37 S54 L55 V90 L126 L127 L129 | V35-V67 HydrophobicContact CG1-CG2 4.49Å; V35-V67 HydrophobicContact CG2-CG1 3.59Å; V35-V67 HydrophobicContact CG2-CG2 4.05Å; I37-V67 HydrophobicContact CD1-CG1 4.05Å; S54-V67 CarbonylContact O-C 3.57Å; S54-V67 VanDerWaalsContact O-CA 3.3Å; S54-V67 WeakPolarHBondContact O-CA 3.41Å; L55-V67 HydrophobicContact CD2-CG2 4.04Å; V67-V90 HydrophobicContact CG2-CG1 3.99Å; V67-V90 HydrophobicContact CG2-CG2 4.42Å; V67-L126 WeakPolarHBondContact O-CA 3.21Å; V67-L127 HydrophobicContact CB-CB 4.23Å; V67-L127 HydrophobicContact CB-CD1 4.48Å; V67-L127 HydrophobicContact CG1-CD1 4.23Å; V67-L127 PolarHBondContact N-O 2.86Å; V67-L127 PolarHBondContact O-N 3.06Å; V67-L129 HydrophobicContact CG2-CD1 4.18Å; V67-L129 HydrophobicContact CG2-CD2 3.98Å; V67-L129 HydrophobicContact CG2-CG 4.25Å |
| 68 | L | 97.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 134.2 | 170.6 | -178.5 | 66.3 | 0 | 0 | 0 | 109.7 | G53 S54 I56 I124 L126 L144 I259 L279 I286 | G53-L68 CarbonylContact C-O 3.54Å; G53-L68 WeakPolarHBondContact CA-O 3.46Å; S54-L68 PolarHBondContact N-O 2.91Å; S54-L68 PolarHBondContact O-N 3.37Å; I56-L68 HydrophobicContact CD1-CB 3.98Å; I56-L68 HydrophobicContact CG1-CB 4.24Å; I56-L68 HydrophobicContact CG2-CB 4.01Å; I56-L68 HydrophobicContact CG2-CD2 4.33Å; L68-I124 HydrophobicContact CD1-CD1 3.81Å; L68-I124 HydrophobicContact CD1-CG1 3.77Å; L68-L126 HydrophobicContact CB-CD2 4.4Å; L68-L126 HydrophobicContact CD1-CD2 3.72Å; L68-L144 HydrophobicContact CD2-CD2 4.39Å; L68-I259 HydrophobicContact CD1-CD1 3.8Å; L68-I259 HydrophobicContact CD2-CD1 4.1Å; L68-I259 HydrophobicContact CD2-CG1 4.29Å; L68-I259 HydrophobicContact CG-CD1 3.83Å; L68-I259 HydrophobicContact CG-CG1 4.32Å; L68-L279 HydrophobicContact CD1-CD1 4.41Å; L68-L279 HydrophobicContact CD2-CD1 3.65Å; L68-L279 HydrophobicContact CD2-CD2 3.55Å; L68-L279 HydrophobicContact CD2-CG 4.28Å; L68-I286 HydrophobicContact CD1-CD1 4.01Å; L68-I286 HydrophobicContact CD2-CD1 4.49Å |
| 69 | T | 95.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | -174.5 | 178.5 | -169.8 | 0 | 0 | 0 | 0 | 110.4 | I37 G52 A125 L127 G243 | I37-T69 HydrophobicContact CD1-CG2 3.96Å; I37-T69 WeakPolarHBondContact CD1-OG1 3.41Å; G52-T69 PolarHBondContact O-OG1 3.05Å; T69-A125 HydrophobicContact CG2-CB 4.01Å; T69-A125 PolarHBondContact N-O 3.12Å; T69-A125 PolarHBondContact O-N 2.95Å; T69-L127 HydrophobicContact CG2-CD1 4.15Å; T69-L127 HydrophobicContact CG2-CD2 4.27Å; T69-L127 HydrophobicContact CG2-CG 4.1Å; T69-G243 WeakPolarHBondContact OG1-CA 3.4Å |
| 70 | A | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -83.9 | 150.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H72 C73 D123 I259 | A70-H72 VanDerWaalsContact C-N 3.34Å; A70-H72 WeakPolarHBondContact CB-ND1 3.25Å; A70-C73 WeakPolarHBondContact O-CB 3.43Å; A70-C73 PolarHBondContact O-N 2.95Å; A70-D123 WeakPolarHBondContact CB-OD1 3.41Å; A70-I259 HydrophobicContact CB-CG2 4.04Å | ||
| 71 | A | 93.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -64 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C73 I74 F75 M112 Y115 D123 | A71-C73 PolarHBondContact O-N 3.44Å; A71-C73 VanDerWaalsContact O-N 3.08Å; A71-I74 PolarHBondContact O-N 2.74Å; A71-F75 WeakPolarHBondContact O-CB 3.34Å; A71-F75 PolarHBondContact O-N 3.11Å; A71-F75 VanDerWaalsContact O-N 3.09Å; A71-M112 HydrophobicContact CB-CG 3.48Å; A71-M112 VanDerWaalsContact CB-CG 3.48Å; A71-M112 HydrophobicContact CB-SD 3.8Å; A71-Y115 HydrophobicContact CB-CD1 3.89Å; A71-Y115 HydrophobicContact CB-CD2 3.72Å; A71-Y115 HydrophobicContact CB-CE1 4.5Å; A71-Y115 HydrophobicContact CB-CE2 4.34Å; A71-Y115 HydrophobicContact CB-CG 3.47Å; A71-Y115 VanDerWaalsContact CB-CG 3.47Å; A71-D123 WeakPolarHBondContact CA-OD1 3.43Å; A71-D123 WeakPolarHBondContact CB-OD1 3.41Å; A71-D123 PolarHBondContact N-OD1 3.14Å |
| 72 | H | 86 | Confident | 88.6 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -63 | -17 | -179.1 | 77.6 | -102.4 | 0 | 0 | 0 | 113.8 | A70 I74 Y115 D123 S242 F262 | A70-H72 VanDerWaalsContact C-N 3.34Å; A70-H72 WeakPolarHBondContact CB-ND1 3.25Å; H72-I74 VanDerWaalsContact C-N 3.35Å; H72-Y115 HydrophobicContact CB-CE1 4.39Å; H72-Y115 HydrophobicContact CB-CE2 4.49Å; H72-Y115 WeakPolarHBondContact CB-OH 3.22Å; H72-D123 IonicContact CE1-OD2 3.09Å; H72-D123 IonicContact CG-OD1 2.67Å; H72-D123 IonicContact CG-OD2 3.06Å; H72-D123 PolarHBondContact N-OD1 2.04Å; H72-D123 IonicContact ND1-OD1 3.62Å; H72-D123 PolarHBondContact ND1-OD1 2.83Å; H72-D123 IonicContact ND1-OD2 3.97Å; H72-D123 PolarHBondContact ND1-OD2 2.9Å; H72-S242 WeakPolarHBondContact NE2-CB 3.44Å; H72-S242 PolarHBondContact NE2-OG 2.75Å; H72-F262 HydrophobicContact CB-CE2 4.17Å; H72-F262 HydrophobicContact CB-CZ 3.7Å; H72-F262 AromaticContact CG-CZ 3.82Å; H72-F262 AromaticContact ND1-CE2 3.89Å; H72-F262 AromaticContact ND1-CZ 3.97Å |
| 73 | C | 88.4 | Confident | 88.5 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -72.3 | -25.9 | 172.4 | -69.6 | 0 | 0 | 0 | 0 | 113.5 | I39 C51 A70 A71 | I39-C73 WeakPolarHBondContact CD1-O 3.49Å; C51-C73 HydrophobicContact CB-CB 3.79Å; C51-C73 WeakPolarHBondContact CB-SG 3.47Å; C51-C73 WeakPolarHBondContact SG-CB 3.25Å; C51-C73 CovalentContact SG-SG 2.03Å; C51-C73 PolarHBondContact SG-SG 2.94Å; A70-C73 WeakPolarHBondContact O-CB 3.43Å; A70-C73 PolarHBondContact O-N 2.95Å; A71-C73 PolarHBondContact O-N 3.44Å; A71-C73 VanDerWaalsContact O-N 3.08Å |
| 74 | I | 89.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | 7.6 | -175.7 | 66.8 | 161.1 | 0 | 0 | 0 | 113.8 | A71 H72 I82 I83 I88 V110 M112 A125 L127 | A71-I74 PolarHBondContact O-N 2.74Å; H72-I74 VanDerWaalsContact C-N 3.35Å; I74-I82 HydrophobicContact CD1-CG2 4.26Å; I74-I82 WeakPolarHBondContact O-CA 3.15Å; I74-I83 WeakPolarHBondContact O-CG1 3.35Å; I74-I83 PolarHBondContact O-N 3Å; I74-I88 HydrophobicContact CB-CD1 4.33Å; I74-I88 HydrophobicContact CG2-CD1 3.77Å; I74-V110 HydrophobicContact CD1-CB 4.02Å; I74-V110 HydrophobicContact CD1-CG1 4.42Å; I74-M112 HydrophobicContact CD1-CB 4.48Å; I74-A125 HydrophobicContact CD1-CB 3.48Å; I74-A125 VanDerWaalsContact CD1-CB 3.48Å; I74-A125 HydrophobicContact CG1-CB 3.79Å; I74-L127 HydrophobicContact CD1-CD2 4.27Å; I74-L127 HydrophobicContact CG2-CD2 3.85Å |
| 75 | F | 87 | Confident | 88.2 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.5 | 180 | -171.5 | -105.1 | 0 | 0 | 0 | 110.9 | A71 S77 R80 I82 M112 Y115 | A71-F75 WeakPolarHBondContact O-CB 3.34Å; A71-F75 PolarHBondContact O-N 3.11Å; A71-F75 VanDerWaalsContact O-N 3.09Å; F75-S77 PolarHBondContact O-N 3.4Å; F75-R80 HydrophobicContact CZ-CB 4.15Å; F75-I82 HydrophobicContact CD2-CG1 4.39Å; F75-M112 HydrophobicContact CB-SD 3.81Å; F75-M112 HydrophobicContact CD2-CE 3.68Å; F75-M112 HydrophobicContact CD2-SD 3.85Å; F75-M112 HydrophobicContact CE2-CE 4.06Å; F75-M112 HydrophobicContact CG-CE 4.35Å; F75-M112 HydrophobicContact CG-SD 4.09Å; F75-Y115 HydrophobicContact CB-CD1 4.2Å; F75-Y115 HydrophobicContact CB-CE1 4.22Å; F75-Y115 AromaticContact CD1-CD1 3.86Å; F75-Y115 HydrophobicContact CD1-CD1 3.86Å; F75-Y115 AromaticContact CD1-CE1 3.7Å; F75-Y115 HydrophobicContact CD1-CE1 3.7Å; F75-Y115 HydrophobicContact CE1-CD1 4.38Å; F75-Y115 HydrophobicContact CE1-CE1 4.38Å; F75-Y115 HydrophobicContact CG-CD1 4.04Å; F75-Y115 HydrophobicContact CG-CE1 4.19Å |
| 76 | D | 79.7 | Confident | 87.8 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 100.7 | 168.1 | -179.1 | -22.6 | 0 | 0 | 0 | 108.4 | Q78 N79 R80 R81 | D76-Q78 VanDerWaalsContact C-N 3.26Å; D76-Q78 PolarHBondContact O-N 3.28Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.32Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.21Å; D76-Q78 PolarHBondContact OD1-N 2.64Å; D76-N79 HydrophobicContact CB-CB 4.47Å; D76-N79 PolarHBondContact OD1-N 3.29Å; D76-N79 PolarHBondContact OD2-ND2 3.24Å; D76-R80 WeakPolarHBondContact O-CA 3.35Å; D76-R80 PolarHBondContact O-N 3.27Å; D76-R81 PolarHBondContact N-O 2.82Å; D76-R81 PolarHBondContact O-N 3.18Å |
| 77 | S | 74.2 | Confident | 87.2 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -22 | -178.9 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | F75 D118 | F75-S77 PolarHBondContact O-N 3.4Å; S77-D118 PolarHBondContact OG-OD2 2.61Å |
| 78 | Q | 72.6 | Confident | 86.8 | Confident | 176 Ų | 176 | 56.6 Ų | 56.6 | 82% | 0.822 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -48.1 | 176.8 | -57.5 | -175.9 | 1.9 | 0 | 0 | 110.9 | D76 | D76-Q78 VanDerWaalsContact C-N 3.26Å; D76-Q78 PolarHBondContact O-N 3.28Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.32Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.21Å; D76-Q78 PolarHBondContact OD1-N 2.64Å |
| 79 | N | 79.9 | Confident | 86.4 | Confident | 104 Ų | 104 | 57.1 Ų | 57.1 | 56% | 0.556 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.5 | -179.8 | -67.5 | -68.5 | 0 | 0 | 0 | 113.7 | D76 R81 | D76-N79 HydrophobicContact CB-CB 4.47Å; D76-N79 PolarHBondContact OD1-N 3.29Å; D76-N79 PolarHBondContact OD2-ND2 3.24Å; N79-R81 VanDerWaalsContact C-N 3.33Å; N79-R81 WeakPolarHBondContact O-CG 3.34Å; N79-R81 PolarHBondContact O-N 3.24Å |
| 80 | R | 83.8 | Confident | 86.2 | Confident | 199 Ų | 199 | 57.1 Ų | 57.1 | 75% | 0.751 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 46.5 | -174.4 | -63.7 | -177.4 | 173 | -179.6 | -1.9 | 113 | F75 D76 | F75-R80 HydrophobicContact CZ-CB 4.15Å; D76-R80 WeakPolarHBondContact O-CA 3.35Å; D76-R80 PolarHBondContact O-N 3.27Å |
| 81 | R | 88 | Confident | 86.1 | Confident | 185 Ų | 185 | 57.1 Ų | 57.1 | 70% | 0.698 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.7 | -175.4 | -75.1 | 174.5 | -174.8 | -165 | 0 | 111.4 | D76 N79 | D76-R81 PolarHBondContact N-O 2.82Å; D76-R81 PolarHBondContact O-N 3.18Å; N79-R81 VanDerWaalsContact C-N 3.33Å; N79-R81 WeakPolarHBondContact O-CG 3.34Å; N79-R81 PolarHBondContact O-N 3.24Å |
| 82 | I | 89.3 | Confident | 86 | Confident | 77 Ų | 77 | 57.2 Ų | 57.2 | 40% | 0.395 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 135.7 | 168.5 | -57.4 | 173.9 | 0 | 0 | 0 | 108.1 | I74 F75 V110 M112 | I74-I82 HydrophobicContact CD1-CG2 4.26Å; I74-I82 WeakPolarHBondContact O-CA 3.15Å; F75-I82 HydrophobicContact CD2-CG1 4.39Å; I82-V110 HydrophobicContact CG2-CG2 3.58Å; I82-M112 HydrophobicContact CD1-CB 4.42Å; I82-M112 HydrophobicContact CD1-CE 4.47Å; I82-M112 HydrophobicContact CG1-CE 4.31Å; I82-M112 HydrophobicContact CG1-SD 4.46Å |
| 83 | I | 86.7 | Confident | 86 | Confident | 34 Ų | 34 | 56 Ų | 56 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 130.3 | 179.1 | -61.5 | 175.5 | 0 | 0 | 0 | 108.9 | I39 I74 K87 I88 | I39-I83 HydrophobicContact CG2-CB 4.49Å; I39-I83 HydrophobicContact CG2-CD1 3.72Å; I39-I83 HydrophobicContact CG2-CG2 3.73Å; I74-I83 WeakPolarHBondContact O-CG1 3.35Å; I74-I83 PolarHBondContact O-N 3Å; I83-K87 HydrophobicContact CG2-CB 4.02Å; I83-K87 HydrophobicContact CG2-CD 4.14Å; I83-I88 HydrophobicContact CG2-CG1 4.36Å |
| 84 | P | 88.8 | Confident | 85.9 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 43% | 0.429 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 136.9 | -178.6 | -29.1 | 35.2 | 0 | 0 | 0 | 113.4 | S86 K87 | P84-S86 PolarHBondContact O-N 2.59Å; P84-K87 PolarHBondContact O-N 2.75Å |
| 85 | P | 91 | Very high | 85.6 | Confident | 33 Ų | 33 | 57 Ų | 57 | 21% | 0.214 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -49.7 | -36.2 | 178.5 | -29.6 | 33.9 | 0 | 0 | 0 | 114.3 | K87 I88 V107 V110 | P85-K87 PolarHBondContact O-N 3.37Å; P85-K87 VanDerWaalsContact O-N 3.13Å; P85-I88 PolarHBondContact O-N 3.28Å; P85-V107 CarbonylContact C-O 3.53Å; P85-V107 HydrophobicContact CB-CB 4.35Å; P85-V107 HydrophobicContact CB-CG1 4.09Å; P85-V107 VanDerWaalsContact CB-O 3.32Å; P85-V107 WeakPolarHBondContact CB-O 3.34Å; P85-V110 HydrophobicContact CG-CG1 4.23Å; P85-V110 HydrophobicContact CG-CG2 4.1Å |
| 86 | S | 84.7 | Confident | 85.4 | Confident | 78 Ų | 78 | 58 Ų | 58 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -60.7 | -21.7 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | P84 Q106 | P84-S86 PolarHBondContact O-N 2.59Å; S86-Q106 PolarHBondContact O-NE2 2.96Å |
| 87 | K | 84.5 | Confident | 85.2 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -87.8 | -6.8 | 175.8 | -68.5 | -174.8 | 166.6 | -155.5 | 0 | 113.7 | I39 F40 N41 I83 P84 P85 | I39-K87 WeakPolarHBondContact CA-O 3.26Å; F40-K87 PolarHBondContact N-O 2.85Å; F40-K87 WeakPolarHBondContact O-CD 3.31Å; N41-K87 PolarHBondContact O-NZ 2.88Å; I83-K87 HydrophobicContact CG2-CB 4.02Å; I83-K87 HydrophobicContact CG2-CD 4.14Å; P84-K87 PolarHBondContact O-N 2.75Å; P85-K87 PolarHBondContact O-N 3.37Å; P85-K87 VanDerWaalsContact O-N 3.13Å |
| 88 | I | 89 | Confident | 85.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.4 | -171.4 | -51.9 | 170 | 0 | 0 | 0 | 109 | I37 M38 I39 I74 I83 P85 V107 V110 L127 | I37-I88 HydrophobicContact CG2-CG2 3.69Å; M38-I88 WeakPolarHBondContact O-CA 3.36Å; I39-I88 HydrophobicContact CG1-CG1 4.24Å; I39-I88 HydrophobicContact CG1-CG2 4.3Å; I39-I88 HydrophobicContact CG2-CG1 4.33Å; I74-I88 HydrophobicContact CB-CD1 4.33Å; I74-I88 HydrophobicContact CG2-CD1 3.77Å; I83-I88 HydrophobicContact CG2-CG1 4.36Å; P85-I88 PolarHBondContact O-N 3.28Å; I88-V107 HydrophobicContact CB-CB 4.14Å; I88-V107 HydrophobicContact CB-CG2 3.87Å; I88-V107 HydrophobicContact CG2-CB 4.42Å; I88-V107 HydrophobicContact CG2-CG2 3.62Å; I88-V107 PolarHBondContact O-N 3.37Å; I88-V107 VanDerWaalsContact O-N 3.11Å; I88-V110 HydrophobicContact CD1-CG1 4.01Å; I88-L127 HydrophobicContact CG2-CD1 4.05Å |
| 89 | I | 88.4 | Confident | 85.1 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.6 | 178.5 | -64.7 | -179.6 | 0 | 0 | 0 | 109.2 | M38 F40 E45 R104 | M38-I89 PolarHBondContact N-O 3.19Å; M38-I89 PolarHBondContact O-N 2.86Å; F40-I89 HydrophobicContact CD2-CD1 4.37Å; F40-I89 HydrophobicContact CE2-CB 4.12Å; F40-I89 HydrophobicContact CE2-CD1 3.9Å; F40-I89 HydrophobicContact CE2-CG1 4.18Å; E45-I89 WeakPolarHBondContact OE1-CD1 3.24Å; I89-R104 VanDerWaalsContact CD1-NH2 3.34Å; I89-R104 HydrophobicContact CG2-CB 3.77Å; I89-R104 HydrophobicContact CG2-CG 4.28Å |
| 90 | V | 91.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.8 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 109 | V35 H36 I37 V67 V92 R104 I105 V107 L127 L129 | V35-V90 HydrophobicContact CB-CG1 3.63Å; V35-V90 HydrophobicContact CG1-CG1 4Å; V35-V90 HydrophobicContact CG2-CG1 3.81Å; H36-V90 CarbonylContact O-C 3.47Å; I37-V90 HydrophobicContact CG1-CG2 4.47Å; V67-V90 HydrophobicContact CG2-CG1 3.99Å; V67-V90 HydrophobicContact CG2-CG2 4.42Å; V90-V92 HydrophobicContact CG1-CG1 4.04Å; V90-R104 CarbonylContact O-C 3.58Å; V90-R104 WeakPolarHBondContact O-CA 3.28Å; V90-I105 PolarHBondContact N-O 3.21Å; V90-I105 PolarHBondContact O-N 2.77Å; V90-V107 HydrophobicContact CG2-CG2 3.93Å; V90-L127 HydrophobicContact CG2-CD1 4.07Å; V90-L129 HydrophobicContact CB-CD2 3.82Å; V90-L129 HydrophobicContact CG1-CD2 4.2Å; V90-L129 HydrophobicContact CG2-CD2 3.68Å |
| 91 | T | 90.6 | Very high | 83.6 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.9 | 169.9 | -45.2 | 0 | 0 | 0 | 0 | 109.3 | V35 H36 V94 K102 T103 | V35-T91 WeakPolarHBondContact CA-O 3.48Å; V35-T91 WeakPolarHBondContact CB-O 3.39Å; H36-T91 PolarHBondContact N-O 3Å; H36-T91 PolarHBondContact O-N 3.34Å; T91-V94 HydrophobicContact CG2-CB 3.86Å; T91-V94 HydrophobicContact CG2-CG1 4.18Å; T91-V94 HydrophobicContact CG2-CG2 4.2Å; T91-V94 WeakPolarHBondContact O-CG1 3.36Å; T91-K102 HydrophobicContact CG2-CB 3.8Å; T91-K102 HydrophobicContact CG2-CD 3.76Å; T91-K102 HydrophobicContact CG2-CG 4.05Å; T91-T103 WeakPolarHBondContact CA-O 3.49Å |
| 92 | V | 91.6 | Very high | 83.1 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 154.1 | -176.4 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | V35 L55 V90 V94 T103 I105 V133 T139 I305 | V35-V92 HydrophobicContact CG1-CB 4.46Å; V35-V92 HydrophobicContact CG1-CG1 3.86Å; L55-V92 HydrophobicContact CD2-CG1 4.36Å; V90-V92 HydrophobicContact CG1-CG1 4.04Å; V92-V94 PolarHBondContact O-N 2.74Å; V92-V94 VanDerWaalsContact O-N 3.16Å; V92-T103 HydrophobicContact CG2-CG2 3.77Å; V92-T103 PolarHBondContact N-O 3.34Å; V92-T103 VanDerWaalsContact N-O 3.14Å; V92-I105 HydrophobicContact CG1-CD1 3.93Å; V92-I105 HydrophobicContact CG2-CD1 3.98Å; V92-V133 HydrophobicContact CG1-CG2 4.01Å; V92-V133 HydrophobicContact CG2-CG1 4.32Å; V92-V133 HydrophobicContact CG2-CG2 4.42Å; V92-T139 HydrophobicContact CB-CG2 4.4Å; V92-T139 HydrophobicContact CG2-CG2 4.41Å; V92-I305 HydrophobicContact CG2-CD1 4.14Å |
| 93 | G | 86.4 | Confident | 82.9 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 8% | 0.082 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 67.2 | 8.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | H95 | G93-H95 PolarHBondContact O-N 3.13Š|
| 94 | V | 85.8 | Confident | 82.9 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | trans | -79.8 | 116.1 | -167.2 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | H36 T91 V92 D96 V97 | H36-V94 HydrophobicContact CB-CG1 3.8Å; T91-V94 HydrophobicContact CG2-CB 3.86Å; T91-V94 HydrophobicContact CG2-CG1 4.18Å; T91-V94 HydrophobicContact CG2-CG2 4.2Å; T91-V94 WeakPolarHBondContact O-CG1 3.36Å; V92-V94 PolarHBondContact O-N 2.74Å; V92-V94 VanDerWaalsContact O-N 3.16Å; V94-D96 WeakPolarHBondContact CG2-O 3.32Å; V94-V97 HydrophobicContact CG2-CG1 4.08Å | ||
| 95 | H | 84.7 | Confident | 82.9 | Confident | 16 Ų | 16 | 39 Ų | 39 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -88.2 | -51.9 | 162.5 | -169.6 | 57.9 | 0 | 0 | 0 | 110.9 | E25 A26 K28 G93 H162 K192 L193 | E25-H95 IonicContact OE1-CD2 2.6Å; E25-H95 IonicContact OE1-CE1 3.88Å; E25-H95 IonicContact OE1-NE2 3.28Å; E25-H95 PolarHBondContact OE1-NE2 3.16Å; A26-H95 PolarHBondContact O-CE1 2.94Å; K28-H95 HydrophobicContact CG-CB 4.07Å; G93-H95 PolarHBondContact O-N 3.13Å; H95-H162 PolarHBondContact O-NE2 2.76Å; H95-K192 CarbonylContact O-C 3.57Å; H95-K192 WeakPolarHBondContact O-CA 3.19Å; H95-L193 PolarHBondContact O-N 3.1Å |
| 96 | D | 81.6 | Confident | 82.8 | Confident | 45 Ų | 45 | 41 Ų | 41 | 24% | 0.241 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -110.6 | 118.5 | -178.1 | -170.9 | -33.8 | 0 | 0 | 0 | 110.9 | V94 T98 A99 E191 | V94-D96 WeakPolarHBondContact CG2-O 3.32Å; D96-T98 PolarHBondContact O-N 3.2Å; D96-T98 WeakPolarHBondContact OD1-CA 3.45Å; D96-T98 VanDerWaalsContact OD1-CB 3.27Å; D96-T98 WeakPolarHBondContact OD1-CB 3.28Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.43Å; D96-T98 PolarHBondContact OD1-N 3.23Å; D96-T98 PolarHBondContact OD1-OG1 3.49Å; D96-A99 VanDerWaalsContact O-CB 3.29Å; D96-A99 WeakPolarHBondContact O-CB 3.49Å; D96-A99 PolarHBondContact O-N 2.89Å; D96-E191 CarbonylContact C-O 3.49Å; D96-E191 WeakPolarHBondContact CA-O 3.31Å |
| 97 | V | 76.8 | Confident | 83.3 | Confident | 23 Ų | 23 | 37.3 Ų | 37.3 | 14% | 0.139 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -16.2 | -179.4 | -63 | 0 | 0 | 0 | 0 | 113.1 | H36 V94 K102 H162 E191 | H36-V97 HydrophobicContact CB-CG1 4.23Å; V94-V97 HydrophobicContact CG2-CG1 4.08Å; V97-K102 WeakPolarHBondContact O-CE 3.49Å; V97-K102 PolarHBondContact O-NZ 3.4Å; V97-H162 HydrophobicContact CG1-CB 4.46Å; V97-E191 WeakPolarHBondContact CG2-O 3.46Å; V97-E191 PolarHBondContact N-O 2.75Å |
| 98 | T | 75.1 | Confident | 83.8 | Confident | 44 Ų | 44 | 35.6 Ų | 35.6 | 27% | 0.27 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -15.7 | 176.3 | 76.4 | 0 | 0 | 0 | 0 | 112.8 | D96 K100 E191 T349 | D96-T98 PolarHBondContact O-N 3.2Å; D96-T98 WeakPolarHBondContact OD1-CA 3.45Å; D96-T98 VanDerWaalsContact OD1-CB 3.27Å; D96-T98 WeakPolarHBondContact OD1-CB 3.28Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.43Å; D96-T98 PolarHBondContact OD1-N 3.23Å; D96-T98 PolarHBondContact OD1-OG1 3.49Å; T98-K100 PolarHBondContact O-N 2.87Å; T98-E191 HydrophobicContact CG2-CB 3.79Å; T98-E191 HydrophobicContact CG2-CG 3.57Å; T98-T349 HydrophobicContact CG2-CG2 3.69Å |
| 99 | A | 68.6 | Low | 84.1 | Confident | 29 Ų | 29 | 37.4 Ų | 37.4 | 24% | 0.24 | 19% | 0.187 | C | C | . | . | trans | -50 | 130.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D96 K102 | D96-A99 VanDerWaalsContact O-CB 3.29Å; D96-A99 WeakPolarHBondContact O-CB 3.49Å; D96-A99 PolarHBondContact O-N 2.89Å; A99-K102 HydrophobicContact CB-CB 4.47Å; A99-K102 VanDerWaalsContact O-CG 3.3Å; A99-K102 WeakPolarHBondContact O-CG 3.22Å; A99-K102 PolarHBondContact O-NZ 3.16Å | ||
| 100 | K | 66.5 | Low | 84.5 | Confident | 167 Ų | 167 | 38 Ų | 38 | 73% | 0.726 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -42 | -173 | -68.3 | -174.4 | 178.1 | -178.6 | 0 | 113 | T98 K102 | T98-K100 PolarHBondContact O-N 2.87Å; K100-K102 VanDerWaalsContact C-N 3.3Å; K100-K102 PolarHBondContact O-N 2.83Å |
| 101 | D | 66.5 | Low | 84.7 | Confident | 96 Ų | 96 | 38.5 Ų | 38.5 | 51% | 0.513 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 6.9 | -171.9 | -71.4 | 8.8 | 0 | 0 | 0 | 112.9 | H306 K314 | D101-H306 VanDerWaalsContact C-CD2 3.49Å; D101-H306 WeakPolarHBondContact CB-CE1 3.48Å; D101-H306 WeakPolarHBondContact CB-ND1 3.44Å; D101-H306 WeakPolarHBondContact O-CB 3.3Å; D101-H306 IonicContact OD2-CE1 2.66Å; D101-K314 IonicContact OD2-NZ 2.85Å; D101-K314 PolarHBondContact OD2-NZ 3.08Å |
| 102 | K | 76.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 40 Ų | 40 | 25% | 0.248 | 20% | 0.203 | C | C | . | . | trans | -53.9 | 139.1 | -172.1 | 61.1 | 175.1 | 162 | -86.9 | 0 | 114.5 | T91 V97 A99 K100 R104 | T91-K102 HydrophobicContact CG2-CB 3.8Å; T91-K102 HydrophobicContact CG2-CD 3.76Å; T91-K102 HydrophobicContact CG2-CG 4.05Å; V97-K102 WeakPolarHBondContact O-CE 3.49Å; V97-K102 PolarHBondContact O-NZ 3.4Å; A99-K102 HydrophobicContact CB-CB 4.47Å; A99-K102 VanDerWaalsContact O-CG 3.3Å; A99-K102 WeakPolarHBondContact O-CG 3.22Å; A99-K102 PolarHBondContact O-NZ 3.16Å; K100-K102 VanDerWaalsContact C-N 3.3Å; K100-K102 PolarHBondContact O-N 2.83Å; K102-R104 HydrophobicContact CD-CG 4.44Å; K102-R104 HydrophobicContact CG-CG 4.16Å; K102-R104 PolarHBondContact O-N 3.05Å | ||
| 103 | T | 84.2 | Confident | 84.8 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | trans | -74.6 | 98.9 | 179.5 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | T91 V92 I105 L300 S304 I305 H306 | T91-T103 WeakPolarHBondContact CA-O 3.49Å; V92-T103 HydrophobicContact CG2-CG2 3.77Å; V92-T103 PolarHBondContact N-O 3.34Å; V92-T103 VanDerWaalsContact N-O 3.14Å; T103-I105 HydrophobicContact CG2-CD1 4.45Å; T103-I105 HydrophobicContact CG2-CG1 4.27Å; T103-L300 HydrophobicContact CG2-CD1 3.7Å; T103-S304 WeakPolarHBondContact CG2-O 3.31Å; T103-S304 PolarHBondContact OG1-O 3.26Å; T103-I305 HydrophobicContact CG2-CD1 4.13Å; T103-I305 WeakPolarHBondContact OG1-CA 3.27Å; T103-H306 WeakPolarHBondContact OG1-CB 3.47Å; T103-H306 PolarHBondContact OG1-N 3.27Å | ||
| 104 | R | 86.6 | Confident | 85 | Confident | 106 Ų | 106 | 46.2 Ų | 46.2 | 40% | 0.4 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.5 | 174.7 | -62.8 | 178.5 | 75.5 | -156.4 | -2.5 | 110.5 | F40 E45 I89 V90 K102 | F40-R104 VanDerWaalsContact CZ-NH2 3.27Å; E45-R104 IonicContact OE1-NH2 3.24Å; E45-R104 IonicContact OE2-CZ 3.23Å; E45-R104 VanDerWaalsContact OE2-CZ 3.24Å; E45-R104 IonicContact OE2-NH1 2.75Å; E45-R104 PolarHBondContact OE2-NH1 2.93Å; E45-R104 IonicContact OE2-NH2 2.72Å; E45-R104 PolarHBondContact OE2-NH2 2.98Å; I89-R104 VanDerWaalsContact CD1-NH2 3.34Å; I89-R104 HydrophobicContact CG2-CB 3.77Å; I89-R104 HydrophobicContact CG2-CG 4.28Å; V90-R104 CarbonylContact O-C 3.58Å; V90-R104 WeakPolarHBondContact O-CA 3.28Å; K102-R104 HydrophobicContact CD-CG 4.44Å; K102-R104 HydrophobicContact CG-CG 4.16Å; K102-R104 PolarHBondContact O-N 3.05Å |
| 105 | I | 90.7 | Very high | 85 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 126.1 | -178.1 | -44.5 | 177.5 | 0 | 0 | 0 | 108.4 | V90 V92 T103 L129 V133 L300 | V90-I105 PolarHBondContact N-O 3.21Å; V90-I105 PolarHBondContact O-N 2.77Å; V92-I105 HydrophobicContact CG1-CD1 3.93Å; V92-I105 HydrophobicContact CG2-CD1 3.98Å; T103-I105 HydrophobicContact CG2-CD1 4.45Å; T103-I105 HydrophobicContact CG2-CG1 4.27Å; I105-L129 HydrophobicContact CD1-CD1 4.28Å; I105-L129 HydrophobicContact CG2-CB 4.06Å; I105-L129 HydrophobicContact CG2-CD2 4.45Å; I105-V133 HydrophobicContact CD1-CG2 3.45Å; I105-V133 VanDerWaalsContact CD1-CG2 3.45Å; I105-L300 HydrophobicContact CD1-CD1 3.5Å; I105-L300 VanDerWaalsContact CD1-CD1 3.5Å; I105-L300 HydrophobicContact CG1-CD1 3.93Å |
| 106 | Q | 88.4 | Confident | 84.9 | Confident | 75 Ų | 75 | 53.4 Ų | 53.4 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 147.5 | 176.5 | -165.9 | 175 | 40.2 | 0 | 0 | 110.9 | S86 M130 | S86-Q106 PolarHBondContact O-NE2 2.96Å; Q106-M130 HydrophobicContact CB-CE 4.19Å; Q106-M130 HydrophobicContact CG-CE 4.3Å; Q106-M130 VanDerWaalsContact O-CB 3.28Å; Q106-M130 WeakPolarHBondContact O-CB 3.44Å; Q106-M130 PolarHBondContact O-N 3.19Å; Q106-M130 VanDerWaalsContact OE1-CE 3.25Å |
| 107 | V | 94 | Very high | 84.7 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 134.1 | 172.9 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | P85 I88 V90 D109 V110 L127 R128 | P85-V107 CarbonylContact C-O 3.53Å; P85-V107 HydrophobicContact CB-CB 4.35Å; P85-V107 HydrophobicContact CB-CG1 4.09Å; P85-V107 VanDerWaalsContact CB-O 3.32Å; P85-V107 WeakPolarHBondContact CB-O 3.34Å; I88-V107 HydrophobicContact CB-CB 4.14Å; I88-V107 HydrophobicContact CB-CG2 3.87Å; I88-V107 HydrophobicContact CG2-CB 4.42Å; I88-V107 HydrophobicContact CG2-CG2 3.62Å; I88-V107 PolarHBondContact O-N 3.37Å; I88-V107 VanDerWaalsContact O-N 3.11Å; V90-V107 HydrophobicContact CG2-CG2 3.93Å; V107-D109 WeakPolarHBondContact CG1-O 3.25Å; V107-V110 HydrophobicContact CG1-CG1 3.66Å; V107-L127 HydrophobicContact CG1-CB 3.89Å; V107-L127 HydrophobicContact CG2-CB 3.95Å; V107-L127 HydrophobicContact CG2-CD1 4.14Å; V107-R128 CarbonylContact C-O 3.53Å; V107-R128 WeakPolarHBondContact CA-O 3.44Å; V107-R128 WeakPolarHBondContact CG1-O 3.44Å |
| 108 | I | 95.1 | Very high | 84.2 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 18% | 0.179 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -31.3 | 176.5 | -169.8 | 169.6 | 0 | 0 | 0 | 112.5 | R128 M130 L294 K297 | I108-R128 HydrophobicContact CG2-CB 3.86Å; I108-R128 HydrophobicContact CG2-CG 3.48Å; I108-R128 VanDerWaalsContact CG2-CG 3.48Å; I108-R128 PolarHBondContact N-O 3.07Å; I108-M130 HydrophobicContact CB-CB 4.26Å; I108-L294 HydrophobicContact CG1-CD1 4.43Å; I108-K297 HydrophobicContact CD1-CD 4.28Å; I108-K297 HydrophobicContact CD1-CG 3.88Å |
| 109 | D | 96.8 | Very high | 84 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 154.7 | -176.7 | -166.3 | 15 | 0 | 0 | 0 | 111.4 | V107 R128 M293 L294 | V107-D109 WeakPolarHBondContact CG1-O 3.25Å; D109-R128 HydrophobicContact CB-CB 4.13Å; D109-R128 PolarHBondContact O-N 2.74Å; D109-M293 HydrophobicContact CB-CE 4.33Å; D109-M293 WeakPolarHBondContact O-CE 3.45Å; D109-M293 WeakPolarHBondContact OD2-CA 3.25Å; D109-M293 WeakPolarHBondContact OD2-CB 3.46Å; D109-L294 HydrophobicContact CB-CB 4.02Å; D109-L294 HydrophobicContact CB-CD1 4.26Å; D109-L294 HydrophobicContact CB-CG 4.24Å; D109-L294 PolarHBondContact OD2-N 3.35Å |
| 110 | V | 96.4 | Very high | 84.5 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 139 | -176.8 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | I74 I82 P85 I88 V107 L126 L127 | I74-V110 HydrophobicContact CD1-CB 4.02Å; I74-V110 HydrophobicContact CD1-CG1 4.42Å; I82-V110 HydrophobicContact CG2-CG2 3.58Å; P85-V110 HydrophobicContact CG-CG1 4.23Å; P85-V110 HydrophobicContact CG-CG2 4.1Å; I88-V110 HydrophobicContact CD1-CG1 4.01Å; V107-V110 HydrophobicContact CG1-CG1 3.66Å; V110-L126 WeakPolarHBondContact CA-O 3.42Å; V110-L127 HydrophobicContact CB-CD2 4.44Å; V110-L127 HydrophobicContact CG1-CD2 3.65Å |
| 111 | A | 96 | Very high | 85.5 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | A125 L126 W285 M289 M293 | A111-A125 CarbonylContact O-C 3.6Å; A111-A125 VanDerWaalsContact O-CA 3.26Å; A111-A125 WeakPolarHBondContact O-CA 3.31Å; A111-L126 HydrophobicContact CB-CB 4.44Å; A111-L126 PolarHBondContact N-O 2.89Å; A111-L126 PolarHBondContact O-N 2.98Å; A111-W285 HydrophobicContact CB-CZ2 4.35Å; A111-M289 HydrophobicContact CB-CB 4.04Å; A111-M289 HydrophobicContact CB-CG 3.95Å; A111-M289 HydrophobicContact CB-SD 4.17Å; A111-M293 HydrophobicContact CB-CE 4.14Å; A111-M293 HydrophobicContact CB-CG 4.01Å; A111-M293 HydrophobicContact CB-SD 3.66Å |
| 112 | M | 93.7 | Very high | 86.7 | Confident | 32 Ų | 32 | 49 Ų | 49 | 16% | 0.158 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 149.5 | -177.4 | -166.9 | 179.5 | 71.2 | 0 | 0 | 109.5 | A71 I74 F75 I82 Y115 W285 | A71-M112 HydrophobicContact CB-CG 3.48Å; A71-M112 VanDerWaalsContact CB-CG 3.48Å; A71-M112 HydrophobicContact CB-SD 3.8Å; I74-M112 HydrophobicContact CD1-CB 4.48Å; F75-M112 HydrophobicContact CB-SD 3.81Å; F75-M112 HydrophobicContact CD2-CE 3.68Å; F75-M112 HydrophobicContact CD2-SD 3.85Å; F75-M112 HydrophobicContact CE2-CE 4.06Å; F75-M112 HydrophobicContact CG-CE 4.35Å; F75-M112 HydrophobicContact CG-SD 4.09Å; I82-M112 HydrophobicContact CD1-CB 4.42Å; I82-M112 HydrophobicContact CD1-CE 4.47Å; I82-M112 HydrophobicContact CG1-CE 4.31Å; I82-M112 HydrophobicContact CG1-SD 4.46Å; M112-Y115 VanDerWaalsContact CE-O 3.31Å; M112-Y115 WeakPolarHBondContact CE-O 3.48Å; M112-Y115 HydrophobicContact SD-CD1 4.28Å; M112-W285 VanDerWaalsContact O-CZ2 3.32Å; M112-W285 WeakPolarHBondContact O-CZ2 3.45Å |
| 113 | G | 90.9 | Very high | 87.4 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 8% | 0.082 | 22% | 0.216 | C | C | . | . | trans | -58.8 | 178.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y115 I124 | G113-Y115 PolarHBondContact O-N 3.37Å; G113-I124 PolarHBondContact N-O 3.48Å | ||
| 114 | E | 90.3 | Very high | 87.9 | Confident | 133 Ų | 133 | 45.7 Ų | 45.7 | 62% | 0.621 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -73.6 | 41.4 | 174.9 | -64.1 | -169.9 | -160.8 | 0 | 0 | 113.1 | R116 | E114-R116 WeakPolarHBondContact O-CG 3.09Å; E114-R116 IonicContact OE2-NH2 3.9Å; E114-R116 PolarHBondContact OE2-NH2 2.85Å |
| 115 | Y | 85.2 | Confident | 88.4 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | trans | -72 | 125.3 | -179.8 | -175.7 | -91.1 | 0 | 0 | 0 | 110.8 | A71 H72 F75 M112 G113 K117 D118 D120 D123 F262 | A71-Y115 HydrophobicContact CB-CD1 3.89Å; A71-Y115 HydrophobicContact CB-CD2 3.72Å; A71-Y115 HydrophobicContact CB-CE1 4.5Å; A71-Y115 HydrophobicContact CB-CE2 4.34Å; A71-Y115 HydrophobicContact CB-CG 3.47Å; A71-Y115 VanDerWaalsContact CB-CG 3.47Å; H72-Y115 HydrophobicContact CB-CE1 4.39Å; H72-Y115 HydrophobicContact CB-CE2 4.49Å; H72-Y115 WeakPolarHBondContact CB-OH 3.22Å; F75-Y115 HydrophobicContact CB-CD1 4.2Å; F75-Y115 HydrophobicContact CB-CE1 4.22Å; F75-Y115 AromaticContact CD1-CD1 3.86Å; F75-Y115 HydrophobicContact CD1-CD1 3.86Å; F75-Y115 AromaticContact CD1-CE1 3.7Å; F75-Y115 HydrophobicContact CD1-CE1 3.7Å; F75-Y115 HydrophobicContact CE1-CD1 4.38Å; F75-Y115 HydrophobicContact CE1-CE1 4.38Å; F75-Y115 HydrophobicContact CG-CD1 4.04Å; F75-Y115 HydrophobicContact CG-CE1 4.19Å; M112-Y115 VanDerWaalsContact CE-O 3.31Å; M112-Y115 WeakPolarHBondContact CE-O 3.48Å; M112-Y115 HydrophobicContact SD-CD1 4.28Å; G113-Y115 PolarHBondContact O-N 3.37Å; Y115-K117 WeakPolarHBondContact CE2-O 3.19Å; Y115-K117 PolarHBondContact OH-O 2.97Å; Y115-D118 WeakPolarHBondContact OH-CA 3.08Å; Y115-D118 PolarHBondContact OH-OD1 3.45Å; Y115-D120 HydrophobicContact CD2-CB 3.66Å; Y115-D120 HydrophobicContact CE2-CB 3.85Å; Y115-D120 HydrophobicContact CG-CB 4.34Å; Y115-D123 HydrophobicContact CD2-CB 3.91Å; Y115-D123 HydrophobicContact CE2-CB 3.84Å; Y115-F262 HydrophobicContact CE2-CE2 4.29Å; Y115-F262 VanDerWaalsContact OH-CZ 3.26Å; Y115-F262 WeakPolarHBondContact OH-CZ 3.46Å | ||
| 116 | R | 82 | Confident | 88.7 | Confident | 171 Ų | 171 | 40.3 Ų | 40.3 | 65% | 0.645 | 19% | 0.192 | S | C | * | . | trans | -120.8 | -23.2 | -172.5 | -58 | 177.7 | -168.8 | -166.5 | 0.9 | 114.4 | E114 D120 | E114-R116 WeakPolarHBondContact O-CG 3.09Å; E114-R116 IonicContact OE2-NH2 3.9Å; E114-R116 PolarHBondContact OE2-NH2 2.85Å; R116-D120 PolarHBondContact N-OD2 3.46Å | ||
| 117 | K | 77.3 | Confident | 89.2 | Confident | 100 Ų | 100 | 36.7 Ų | 36.7 | 44% | 0.435 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -158.1 | 165.7 | -172.2 | 60.9 | 171.9 | -174.9 | 175.1 | 0 | 110.3 | Y115 D120 E215 | Y115-K117 WeakPolarHBondContact CE2-O 3.19Å; Y115-K117 PolarHBondContact OH-O 2.97Å; K117-D120 HydrophobicContact CG-CB 4.22Å; K117-D120 WeakPolarHBondContact O-CB 3.45Å; K117-D120 PolarHBondContact O-N 3.22Å; K117-E215 WeakPolarHBondContact CE-OE2 3.46Å; K117-E215 IonicContact NZ-OE1 2.61Å; K117-E215 IonicContact NZ-OE2 3.21Å; K117-E215 PolarHBondContact NZ-OE2 3.13Å |
| 118 | D | 67.6 | Low | 89.3 | Confident | 70 Ų | 70 | 37 Ų | 37 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 143.4 | 173 | -57.2 | -33.6 | 0 | 0 | 0 | 111.4 | S77 Y115 D120 F262 | S77-D118 PolarHBondContact OG-OD2 2.61Å; Y115-D118 WeakPolarHBondContact OH-CA 3.08Å; Y115-D118 PolarHBondContact OH-OD1 3.45Å; D118-D120 PolarHBondContact O-N 2.93Å; D118-F262 HydrophobicContact CB-CE1 4.32Å; D118-F262 HydrophobicContact CB-CZ 4.17Å |
| 119 | F | 70 | Confident | 89.4 | Confident | 84 Ų | 84 | 35.3 Ų | 35.3 | 37% | 0.368 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 3.9 | -173.4 | -43.2 | -78.8 | 0 | 0 | 0 | 117.2 | F262 | F119-F262 HydrophobicContact CD1-CB 3.56Å; F119-F262 AromaticContact CD1-CD1 3.8Å; F119-F262 HydrophobicContact CD1-CD1 3.8Å; F119-F262 AromaticContact CD1-CD2 3.99Å; F119-F262 HydrophobicContact CD1-CD2 3.99Å; F119-F262 AromaticContact CD1-CG 3.48Å; F119-F262 HydrophobicContact CD1-CG 3.48Å; F119-F262 VanDerWaalsContact CD1-CG 3.48Å; F119-F262 HydrophobicContact CE1-CB 3.72Å; F119-F262 AromaticContact CE1-CD1 3.61Å; F119-F262 HydrophobicContact CE1-CD1 3.61Å; F119-F262 HydrophobicContact CE1-CE1 4.43Å; F119-F262 AromaticContact CE1-CG 3.73Å; F119-F262 HydrophobicContact CE1-CG 3.73Å; F119-F262 HydrophobicContact CG-CG 4.37Å; F119-F262 HydrophobicContact CZ-CD1 4.29Å; F119-F262 VanDerWaalsContact N-CE2 3.31Å |
| 120 | D | 79.5 | Confident | 89.2 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 8% | 0.08 | 17% | 0.167 | C | C | . | . | trans | -58 | 135.5 | 175.3 | -175.8 | -38.2 | 0 | 0 | 0 | 111.8 | Y115 R116 K117 D118 N122 D123 | Y115-D120 HydrophobicContact CD2-CB 3.66Å; Y115-D120 HydrophobicContact CE2-CB 3.85Å; Y115-D120 HydrophobicContact CG-CB 4.34Å; R116-D120 PolarHBondContact N-OD2 3.46Å; K117-D120 HydrophobicContact CG-CB 4.22Å; K117-D120 WeakPolarHBondContact O-CB 3.45Å; K117-D120 PolarHBondContact O-N 3.22Å; D118-D120 PolarHBondContact O-N 2.93Å; D120-N122 PolarHBondContact O-N 3.23Å; D120-N122 VanDerWaalsContact O-N 3.16Å; D120-N122 WeakPolarHBondContact OD1-CB 3.39Å; D120-N122 PolarHBondContact OD1-N 3.01Å; D120-N122 PolarHBondContact OD1-ND2 2.94Å; D120-D123 WeakPolarHBondContact O-CB 3.25Å; D120-D123 PolarHBondContact O-N 2.77Å | ||
| 121 | A | 86.8 | Confident | 89.1 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 10% | 0.099 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -13.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D123 D217 K220 Q221 | A121-D123 PolarHBondContact O-N 3.2Å; A121-D217 HydrophobicContact CB-CB 3.54Å; A121-K220 HydrophobicContact CB-CB 4.12Å; A121-K220 HydrophobicContact CB-CD 4.05Å; A121-Q221 HydrophobicContact CB-CG 4.12Å |
| 122 | N | 91.8 | Very high | 89 | Confident | 30 Ų | 30 | 34.7 Ų | 34.7 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 30.9 | 176.9 | -49.6 | -78.8 | 0 | 0 | 0 | 112.2 | D120 I124 K220 | D120-N122 PolarHBondContact O-N 3.23Å; D120-N122 VanDerWaalsContact O-N 3.16Å; D120-N122 WeakPolarHBondContact OD1-CB 3.39Å; D120-N122 PolarHBondContact OD1-N 3.01Å; D120-N122 PolarHBondContact OD1-ND2 2.94Å; N122-I124 VanDerWaalsContact C-N 3.28Å; N122-I124 PolarHBondContact O-N 3.33Å; N122-K220 PolarHBondContact OD1-NZ 3.11Å |
| 123 | D | 92 | Very high | 89 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -72.7 | 75.1 | -177.2 | -170.8 | 22.4 | 0 | 0 | 0 | 112.8 | A70 A71 H72 Y115 D120 A121 S261 T277 | A70-D123 WeakPolarHBondContact CB-OD1 3.41Å; A71-D123 WeakPolarHBondContact CA-OD1 3.43Å; A71-D123 WeakPolarHBondContact CB-OD1 3.41Å; A71-D123 PolarHBondContact N-OD1 3.14Å; H72-D123 IonicContact CE1-OD2 3.09Å; H72-D123 IonicContact CG-OD1 2.67Å; H72-D123 IonicContact CG-OD2 3.06Å; H72-D123 PolarHBondContact N-OD1 2.04Å; H72-D123 IonicContact ND1-OD1 3.62Å; H72-D123 PolarHBondContact ND1-OD1 2.83Å; H72-D123 IonicContact ND1-OD2 3.97Å; H72-D123 PolarHBondContact ND1-OD2 2.9Å; Y115-D123 HydrophobicContact CD2-CB 3.91Å; Y115-D123 HydrophobicContact CE2-CB 3.84Å; D120-D123 WeakPolarHBondContact O-CB 3.25Å; D120-D123 PolarHBondContact O-N 2.77Å; A121-D123 PolarHBondContact O-N 3.2Å; D123-S261 WeakPolarHBondContact OD2-CA 3.49Å; D123-S261 VanDerWaalsContact OD2-CB 3.24Å; D123-S261 WeakPolarHBondContact OD2-CB 3.48Å; D123-S261 PolarHBondContact OD2-OG 2.92Å; D123-T277 WeakPolarHBondContact O-CB 3.45Å; D123-T277 PolarHBondContact O-OG1 3.06Å | ||
| 124 | I | 95.4 | Very high | 89 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -145.3 | 139.7 | 179 | -173.9 | 172.1 | 0 | 0 | 0 | 110.9 | L68 G113 N122 I259 T277 L279 F282 W285 I286 | L68-I124 HydrophobicContact CD1-CD1 3.81Å; L68-I124 HydrophobicContact CD1-CG1 3.77Å; G113-I124 PolarHBondContact N-O 3.48Å; N122-I124 VanDerWaalsContact C-N 3.28Å; N122-I124 PolarHBondContact O-N 3.33Å; I124-I259 HydrophobicContact CB-CD1 4.2Å; I124-I259 HydrophobicContact CD1-CD1 4.01Å; I124-I259 HydrophobicContact CG1-CD1 3.67Å; I124-T277 HydrophobicContact CB-CG2 4.44Å; I124-L279 HydrophobicContact CD1-CD1 4.08Å; I124-F282 HydrophobicContact CD1-CB 3.46Å; I124-F282 VanDerWaalsContact CD1-CB 3.46Å; I124-F282 HydrophobicContact CD1-CD1 4.31Å; I124-F282 HydrophobicContact CD1-CD2 4.47Å; I124-F282 HydrophobicContact CD1-CG 3.85Å; I124-F282 HydrophobicContact CG2-CD1 3.7Å; I124-F282 HydrophobicContact CG2-CE1 3.89Å; I124-F282 HydrophobicContact CG2-CG 4.22Å; I124-W285 HydrophobicContact CB-CZ3 4.5Å; I124-W285 HydrophobicContact CD1-CE3 3.91Å; I124-W285 HydrophobicContact CD1-CZ3 3.67Å; I124-W285 HydrophobicContact CG1-CE3 4.42Å; I124-W285 HydrophobicContact CG1-CH2 4.42Å; I124-W285 HydrophobicContact CG1-CZ3 3.75Å; I124-W285 HydrophobicContact CG2-CE3 4.27Å; I124-W285 HydrophobicContact CG2-CH2 4.3Å; I124-W285 HydrophobicContact CG2-CZ3 4.01Å; I124-I286 HydrophobicContact CD1-CD1 4.21Å; I124-I286 HydrophobicContact CD1-CG1 4.27Å | ||
| 125 | A | 96.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T69 I74 A111 | T69-A125 HydrophobicContact CG2-CB 4.01Å; T69-A125 PolarHBondContact N-O 3.12Å; T69-A125 PolarHBondContact O-N 2.95Å; I74-A125 HydrophobicContact CD1-CB 3.48Å; I74-A125 VanDerWaalsContact CD1-CB 3.48Å; I74-A125 HydrophobicContact CG1-CB 3.79Å; A111-A125 CarbonylContact O-C 3.6Å; A111-A125 VanDerWaalsContact O-CA 3.26Å; A111-A125 WeakPolarHBondContact O-CA 3.31Å |
| 126 | L | 97.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 136 | 172.3 | -64.6 | 170.1 | 0 | 0 | 0 | 109.4 | I56 M66 V67 L68 V110 A111 W285 I286 M289 M293 | I56-L126 HydrophobicContact CD1-CD2 3.92Å; M66-L126 HydrophobicContact CG-CD2 4.04Å; M66-L126 HydrophobicContact SD-CB 4.4Å; M66-L126 HydrophobicContact SD-CD1 3.99Å; M66-L126 HydrophobicContact SD-CD2 3.9Å; M66-L126 HydrophobicContact SD-CG 4.32Å; V67-L126 WeakPolarHBondContact O-CA 3.21Å; L68-L126 HydrophobicContact CB-CD2 4.4Å; L68-L126 HydrophobicContact CD1-CD2 3.72Å; V110-L126 WeakPolarHBondContact CA-O 3.42Å; A111-L126 HydrophobicContact CB-CB 4.44Å; A111-L126 PolarHBondContact N-O 2.89Å; A111-L126 PolarHBondContact O-N 2.98Å; L126-W285 HydrophobicContact CD1-CE3 4.42Å; L126-W285 HydrophobicContact CD1-CH2 3.87Å; L126-W285 HydrophobicContact CD1-CZ3 3.69Å; L126-W285 HydrophobicContact CG-CH2 3.86Å; L126-W285 HydrophobicContact CG-CZ3 3.75Å; L126-I286 HydrophobicContact CD1-CB 4.24Å; L126-I286 HydrophobicContact CD1-CG1 4.25Å; L126-I286 HydrophobicContact CD1-CG2 3.95Å; L126-I286 HydrophobicContact CD2-CG1 4.28Å; L126-I286 HydrophobicContact CD2-CG2 4.06Å; L126-M289 HydrophobicContact CD1-CB 3.79Å; L126-M289 HydrophobicContact CD1-CG 4.45Å; L126-M293 HydrophobicContact CB-CE 4.29Å; L126-M293 HydrophobicContact CB-SD 3.99Å; L126-M293 HydrophobicContact CD1-SD 4.47Å |
| 127 | L | 97.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.5 | 173.6 | -41.3 | 178.2 | 0 | 0 | 0 | 108.1 | I37 M66 V67 T69 I74 I88 V90 V107 V110 | I37-L127 HydrophobicContact CD1-CD1 3.85Å; I37-L127 HydrophobicContact CG2-CD1 4.2Å; M66-L127 WeakPolarHBondContact CA-O 3.47Å; V67-L127 HydrophobicContact CB-CB 4.23Å; V67-L127 HydrophobicContact CB-CD1 4.48Å; V67-L127 HydrophobicContact CG1-CD1 4.23Å; V67-L127 PolarHBondContact N-O 2.86Å; V67-L127 PolarHBondContact O-N 3.06Å; T69-L127 HydrophobicContact CG2-CD1 4.15Å; T69-L127 HydrophobicContact CG2-CD2 4.27Å; T69-L127 HydrophobicContact CG2-CG 4.1Å; I74-L127 HydrophobicContact CD1-CD2 4.27Å; I74-L127 HydrophobicContact CG2-CD2 3.85Å; I88-L127 HydrophobicContact CG2-CD1 4.05Å; V90-L127 HydrophobicContact CG2-CD1 4.07Å; V107-L127 HydrophobicContact CG1-CB 3.89Å; V107-L127 HydrophobicContact CG2-CB 3.95Å; V107-L127 HydrophobicContact CG2-CD1 4.14Å; V110-L127 HydrophobicContact CB-CD2 4.44Å; V110-L127 HydrophobicContact CG1-CD2 3.65Å |
| 128 | R | 97.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 20.1 Ų | 20.1 | 3% | 0.03 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 123.8 | 167.1 | -177.8 | 75.9 | 76 | -155.8 | -2.4 | 108.3 | N65 V107 I108 D109 D290 M293 L294 | N65-R128 PolarHBondContact ND2-NH1 2.88Å; N65-R128 WeakPolarHBondContact O-CD 3.44Å; N65-R128 PolarHBondContact OD1-NH1 3.44Å; V107-R128 CarbonylContact C-O 3.53Å; V107-R128 WeakPolarHBondContact CA-O 3.44Å; V107-R128 WeakPolarHBondContact CG1-O 3.44Å; I108-R128 HydrophobicContact CG2-CB 3.86Å; I108-R128 HydrophobicContact CG2-CG 3.48Å; I108-R128 VanDerWaalsContact CG2-CG 3.48Å; I108-R128 PolarHBondContact N-O 3.07Å; D109-R128 HydrophobicContact CB-CB 4.13Å; D109-R128 PolarHBondContact O-N 2.74Å; R128-D290 IonicContact CZ-OD1 3.57Å; R128-D290 VanDerWaalsContact CZ-OD1 3.24Å; R128-D290 IonicContact NH1-OD1 2.82Å; R128-D290 PolarHBondContact NH1-OD1 3.01Å; R128-D290 PolarHBondContact NH2-O 2.79Å; R128-D290 IonicContact NH2-OD1 2.75Å; R128-D290 PolarHBondContact NH2-OD1 3.4Å; R128-M293 HydrophobicContact CB-CE 3.86Å; R128-L294 WeakPolarHBondContact CG-O 3.36Å; R128-L294 PolarHBondContact NE-O 2.72Å |
| 129 | L | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 140.1 | 173.7 | -57.9 | -178.9 | 0 | 0 | 0 | 110.2 | L55 N65 V67 V90 I105 S131 V133 S296 | L55-L129 HydrophobicContact CD2-CD1 4.18Å; N65-L129 PolarHBondContact O-N 3.39Å; V67-L129 HydrophobicContact CG2-CD1 4.18Å; V67-L129 HydrophobicContact CG2-CD2 3.98Å; V67-L129 HydrophobicContact CG2-CG 4.25Å; V90-L129 HydrophobicContact CB-CD2 3.82Å; V90-L129 HydrophobicContact CG1-CD2 4.2Å; V90-L129 HydrophobicContact CG2-CD2 3.68Å; I105-L129 HydrophobicContact CD1-CD1 4.28Å; I105-L129 HydrophobicContact CG2-CB 4.06Å; I105-L129 HydrophobicContact CG2-CD2 4.45Å; L129-S131 WeakPolarHBondContact CB-O 3.16Å; L129-S131 PolarHBondContact O-N 3.2Å; L129-V133 HydrophobicContact CD1-CG2 3.56Å; L129-S296 WeakPolarHBondContact O-CB 3.49Å; L129-S296 PolarHBondContact O-OG 3.06Å |
| 130 | M | 93.4 | Very high | 92 | Very high | 41 Ų | 41 | 13 Ų | 13 | 20% | 0.202 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | -37.3 | 176.7 | -171.8 | 172.7 | -55.6 | 0 | 0 | 111.7 | Q106 I108 S296 K297 | Q106-M130 HydrophobicContact CB-CE 4.19Å; Q106-M130 HydrophobicContact CG-CE 4.3Å; Q106-M130 VanDerWaalsContact O-CB 3.28Å; Q106-M130 WeakPolarHBondContact O-CB 3.44Å; Q106-M130 PolarHBondContact O-N 3.19Å; Q106-M130 VanDerWaalsContact OE1-CE 3.25Å; I108-M130 HydrophobicContact CB-CB 4.26Å; M130-S296 WeakPolarHBondContact O-CB 3.07Å; M130-K297 HydrophobicContact CG-CD 3.87Å; M130-K297 HydrophobicContact CG-CG 4.25Å; M130-K297 PolarHBondContact O-N 2.87Å; M130-K297 HydrophobicContact SD-CD 4.08Å |
| 131 | S | 93.4 | Very high | 92.7 | Very high | 18 Ų | 18 | 12.3 Ų | 12.3 | 13% | 0.126 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136.1 | 176.3 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | L129 D298 | L129-S131 WeakPolarHBondContact CB-O 3.16Å; L129-S131 PolarHBondContact O-N 3.2Å; S131-D298 CarbonylContact C-O 3.57Å; S131-D298 WeakPolarHBondContact CA-O 3.45Å; S131-D298 WeakPolarHBondContact CA-OD1 3.23Å; S131-D298 WeakPolarHBondContact CB-OD1 3.12Å; S131-D298 PolarHBondContact OG-OD1 2.79Å |
| 132 | G | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 139 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P134 D298 L300 | G132-P134 WeakPolarHBondContact O-CD 3.44Å; G132-D298 PolarHBondContact N-O 3.33Å; G132-L300 PolarHBondContact O-N 3.25Å |
| 133 | V | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 112.9 | 177.7 | -179 | 0 | 0 | 0 | 0 | 109.1 | L55 I63 S64 V92 I105 L129 T139 I305 | L55-V133 HydrophobicContact CD1-CG1 4.14Å; L55-V133 HydrophobicContact CD2-CG2 4.17Å; I63-V133 CarbonylContact C-O 3.54Å; I63-V133 VanDerWaalsContact CA-O 3.28Å; I63-V133 WeakPolarHBondContact CA-O 3.4Å; S64-V133 PolarHBondContact N-O 3.09Å; S64-V133 WeakPolarHBondContact O-CB 3.42Å; S64-V133 PolarHBondContact O-N 2.81Å; V92-V133 HydrophobicContact CG1-CG2 4.01Å; V92-V133 HydrophobicContact CG2-CG1 4.32Å; V92-V133 HydrophobicContact CG2-CG2 4.42Å; I105-V133 HydrophobicContact CD1-CG2 3.45Å; I105-V133 VanDerWaalsContact CD1-CG2 3.45Å; L129-V133 HydrophobicContact CD1-CG2 3.56Å; V133-T139 HydrophobicContact CG1-CG2 3.89Å; V133-I305 HydrophobicContact CG1-CD1 4.08Å |
| 134 | P | 91.7 | Very high | 93.6 | Very high | 14 Ų | 14 | 12.5 Ų | 12.5 | 9% | 0.091 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 148.8 | 174.4 | 29.9 | -37.5 | 0 | 0 | 0 | 111 | G132 T139 L300 A302 I305 | G132-P134 WeakPolarHBondContact O-CD 3.44Å; P134-T139 PolarHBondContact O-OG1 2.82Å; P134-L300 WeakPolarHBondContact CD-O 3.38Å; P134-L300 WeakPolarHBondContact CG-O 3.26Å; P134-A302 HydrophobicContact CG-CB 4.3Å; P134-I305 HydrophobicContact CG-CD1 4.33Å; P134-I305 HydrophobicContact CG-CG1 3.99Å |
| 135 | Y | 91.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 12.9 Ų | 12.9 | 5% | 0.047 | 7% | 0.068 | C | C | . | . | trans | -77 | 130.6 | 174.1 | -58.3 | -22.6 | 0 | 0 | 0 | 111.3 | F4 R57 G61 N62 I63 S64 T139 P141 | F4-Y135 HydrophobicContact CB-CD2 3.61Å; F4-Y135 HydrophobicContact CB-CG 4.06Å; F4-Y135 HydrophobicContact CD2-CD2 4.43Å; F4-Y135 HydrophobicContact CG-CD2 4.24Å; F4-Y135 HydrophobicContact CG-CG 4.34Å; R57-Y135 WeakPolarHBondContact CB-OH 3.45Å; G61-Y135 VanDerWaalsContact O-CE2 3.25Å; G61-Y135 WeakPolarHBondContact O-CE2 3.38Å; N62-Y135 HydrophobicContact CB-CD2 4.38Å; N62-Y135 PolarHBondContact O-N 3.08Å; I63-Y135 VanDerWaalsContact C-CE1 3.41Å; I63-Y135 PolarHBondContact O-OH 3.37Å; S64-Y135 PolarHBondContact N-OH 2.87Å; S64-Y135 VanDerWaalsContact OG-CE1 3.23Å; S64-Y135 WeakPolarHBondContact OG-CE1 3.35Å; S64-Y135 PolarHBondContact OG-OH 2.95Å; Y135-T139 WeakPolarHBondContact CA-O 3.4Å; Y135-P141 HydrophobicContact CE1-CG 3.88Å; Y135-P141 HydrophobicContact CE2-CG 4.28Å | ||
| 136 | T | 87.4 | Confident | 93.4 | Very high | 16 Ų | 16 | 18 Ų | 18 | 10% | 0.098 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -139.2 | 177.7 | 179.9 | 72 | 0 | 0 | 0 | 0 | 108.6 | Y138 T139 V140 A302 I305 | T136-Y138 PolarHBondContact O-N 2.93Å; T136-Y138 PolarHBondContact OG1-N 3.31Å; T136-Y138 VanDerWaalsContact OG1-N 3.09Å; T136-T139 PolarHBondContact N-O 2.83Å; T136-T139 PolarHBondContact N-OG1 2.97Å; T136-T139 PolarHBondContact O-N 2.85Å; T136-T139 PolarHBondContact OG1-N 3.41Å; T136-T139 VanDerWaalsContact OG1-N 3.16Å; T136-T139 PolarHBondContact OG1-OG1 2.79Å; T136-V140 VanDerWaalsContact O-CG2 3.26Å; T136-V140 WeakPolarHBondContact O-CG2 3.35Å; T136-A302 HydrophobicContact CG2-CB 4.23Å; T136-I305 HydrophobicContact CG2-CB 4.38Å; T136-I305 HydrophobicContact CG2-CG1 4.16Å |
| 137 | D | 84.5 | Confident | 93.3 | Very high | 58 Ų | 58 | 24.1 Ų | 24.1 | 31% | 0.31 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -23.6 | 169.4 | -67.5 | -23.5 | 0 | 0 | 0 | 113.9 | K10 F11 | K10-D137 HydrophobicContact CD-CB 3.72Å; K10-D137 WeakPolarHBondContact CD-OD1 3.14Å; K10-D137 IonicContact NZ-OD1 3.09Å; K10-D137 PolarHBondContact NZ-OD1 2.81Å; K10-D137 IonicContact NZ-OD2 3.66Å; K10-D137 PolarHBondContact NZ-OD2 2.87Å; F11-D137 HydrophobicContact CE2-CB 4.09Å |
| 138 | Y | 86.2 | Confident | 93.1 | Very high | 44 Ų | 44 | 34.9 Ų | 34.9 | 17% | 0.173 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -12.4 | -172.8 | -43.2 | -55.5 | 0 | 0 | 0 | 113.7 | F11 H29 P32 T136 | F11-Y138 AromaticContact CE2-CD1 3.64Å; F11-Y138 HydrophobicContact CE2-CD1 3.64Å; F11-Y138 AromaticContact CE2-CE1 3.55Å; F11-Y138 HydrophobicContact CE2-CE1 3.55Å; F11-Y138 HydrophobicContact CZ-CD1 4.19Å; F11-Y138 AromaticContact CZ-CE1 3.61Å; F11-Y138 HydrophobicContact CZ-CE1 3.61Å; H29-Y138 HydrophobicContact CB-CD1 3.84Å; H29-Y138 AromaticContact CD2-CD1 3.45Å; H29-Y138 VanDerWaalsContact CD2-CD1 3.45Å; H29-Y138 WeakPolarHBondContact CD2-CD1 3.29Å; H29-Y138 AromaticContact CD2-CE1 3.6Å; H29-Y138 AromaticContact CE1-CD1 3.92Å; H29-Y138 AromaticContact CG-CD1 3.33Å; H29-Y138 AromaticContact CG-CE1 3.99Å; H29-Y138 AromaticContact ND1-CD1 3.64Å; H29-Y138 AromaticContact NE2-CD1 3.84Å; H29-Y138 AromaticContact NE2-CE1 3.94Å; P32-Y138 WeakPolarHBondContact CA-O 3.4Å; P32-Y138 VanDerWaalsContact CB-C 3.48Å; P32-Y138 VanDerWaalsContact CB-O 3.25Å; P32-Y138 WeakPolarHBondContact CB-O 3.48Å; T136-Y138 PolarHBondContact O-N 2.93Å; T136-Y138 PolarHBondContact OG1-N 3.31Å; T136-Y138 VanDerWaalsContact OG1-N 3.09Å |
| 139 | T | 90.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -135.4 | 101.8 | -176.2 | 46.5 | 0 | 0 | 0 | 0 | 110.2 | P32 V92 V133 P134 Y135 T136 I305 | P32-T139 WeakPolarHBondContact O-CA 3.07Å; V92-T139 HydrophobicContact CB-CG2 4.4Å; V92-T139 HydrophobicContact CG2-CG2 4.41Å; V133-T139 HydrophobicContact CG1-CG2 3.89Å; P134-T139 PolarHBondContact O-OG1 2.82Å; Y135-T139 WeakPolarHBondContact CA-O 3.4Å; T136-T139 PolarHBondContact N-O 2.83Å; T136-T139 PolarHBondContact N-OG1 2.97Å; T136-T139 PolarHBondContact O-N 2.85Å; T136-T139 PolarHBondContact OG1-N 3.41Å; T136-T139 VanDerWaalsContact OG1-N 3.16Å; T136-T139 PolarHBondContact OG1-OG1 2.79Å; T139-I305 HydrophobicContact CG2-CG2 3.66Å |
| 140 | V | 93.1 | Very high | 92.7 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | trans | -143.7 | 130.6 | -179.6 | -179 | 0 | 0 | 0 | 0 | 107.3 | F4 P5 P32 W33 T136 | F4-V140 HydrophobicContact CD1-CG2 4.4Å; P5-V140 WeakPolarHBondContact O-CG1 3.46Å; P32-V140 CarbonylContact C-O 3.51Å; P32-V140 VanDerWaalsContact C-O 3.31Å; P32-V140 HydrophobicContact CB-CB 4.22Å; P32-V140 HydrophobicContact CB-CG2 4.47Å; P32-V140 HydrophobicContact CG-CB 3.92Å; P32-V140 HydrophobicContact CG-CG2 4.39Å; P32-V140 PolarHBondContact O-N 3.02Å; P32-V140 VanDerWaalsContact O-N 3.12Å; W33-V140 VanDerWaalsContact CA-O 3.29Å; W33-V140 WeakPolarHBondContact CA-O 3.48Å; W33-V140 WeakPolarHBondContact CB-O 3.02Å; W33-V140 PolarHBondContact N-O 2.02Å; W33-V140 VanDerWaalsContact N-O 3.16Å; T136-V140 VanDerWaalsContact O-CG2 3.26Å; T136-V140 WeakPolarHBondContact O-CG2 3.35Å | ||
| 141 | P | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 152.7 | -175.8 | 29.6 | -35.9 | 0 | 0 | 0 | 111.6 | C6 G7 L55 R57 Y135 | C6-P141 CarbonylContact C-O 3.52Å; C6-P141 VanDerWaalsContact CA-O 3.28Å; C6-P141 WeakPolarHBondContact CA-O 3.27Å; C6-P141 HydrophobicContact CB-CG 4.38Å; C6-P141 WeakPolarHBondContact CB-O 3.47Å; G7-P141 PolarHBondContact N-O 3.47Å; L55-P141 HydrophobicContact CB-CB 4.4Å; L55-P141 WeakPolarHBondContact O-CA 3.06Å; L55-P141 VanDerWaalsContact O-CB 3.31Å; L55-P141 WeakPolarHBondContact O-CB 3.35Å; R57-P141 HydrophobicContact CB-CB 4.35Å; R57-P141 HydrophobicContact CB-CG 4.07Å; R57-P141 HydrophobicContact CG-CB 4.35Å; R57-P141 HydrophobicContact CG-CG 3.85Å; Y135-P141 HydrophobicContact CE1-CG 3.88Å; Y135-P141 HydrophobicContact CE2-CG 4.28Å |
| 142 | V | 96.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -73.5 | 151.2 | 169.3 | 68.8 | 0 | 0 | 0 | 0 | 109.7 | W33 L55 I56 V247 F254 Q256 | W33-V142 HydrophobicContact CB-CB 3.92Å; W33-V142 HydrophobicContact CB-CG1 4.47Å; W33-V142 HydrophobicContact CD2-CB 3.93Å; W33-V142 HydrophobicContact CD2-CG2 4.32Å; W33-V142 HydrophobicContact CE3-CB 4.35Å; W33-V142 HydrophobicContact CG-CB 3.72Å; W33-V142 HydrophobicContact CG-CG2 4.46Å; L55-V142 PolarHBondContact O-N 2.91Å; I56-V142 HydrophobicContact CG2-CG1 3.97Å; V142-V247 HydrophobicContact CG2-CG1 3.76Å; V142-F254 HydrophobicContact CG2-CB 4.5Å; V142-F254 WeakPolarHBondContact CG2-O 3.33Å; V142-Q256 HydrophobicContact CG1-CB 3.89Å; V142-Q256 HydrophobicContact CG2-CB 3.93Å |
| 143 | C | 96 | Very high | 92.4 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 135.5 | 171.7 | -64.6 | 0 | 0 | 0 | 0 | 110.5 | C6 F254 I255 Q256 | C6-C143 HydrophobicContact CB-CB 4.02Å; C6-C143 WeakPolarHBondContact CB-SG 3.33Å; C6-C143 PolarHBondContact O-SG 2.91Å; C6-C143 WeakPolarHBondContact SG-CA 3.39Å; C6-C143 WeakPolarHBondContact SG-CB 3.45Å; C6-C143 CovalentContact SG-SG 2.05Å; C6-C143 PolarHBondContact SG-SG 2.77Å; C143-F254 PolarHBondContact N-O 3.46Å; C143-I255 HydrophobicContact CB-CG1 4.21Å; C143-I255 WeakPolarHBondContact O-CA 3.31Å; C143-Q256 PolarHBondContact O-N 3.16Å |
| 144 | L | 95.8 | Very high | 92.1 | Very high | 35 Ų | 35 | 52.3 Ų | 52.3 | 18% | 0.183 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 150.8 | 164.2 | -68.3 | 175.3 | 0 | 0 | 0 | 110.1 | I56 L58 L68 L279 I286 | I56-L144 HydrophobicContact CB-CD2 4.36Å; I56-L144 HydrophobicContact CB-CG 4.49Å; I56-L144 HydrophobicContact CD1-CD1 4.42Å; I56-L144 HydrophobicContact CD1-CD2 4.4Å; I56-L144 HydrophobicContact CG2-CD2 3.95Å; I56-L144 HydrophobicContact CG2-CG 4.48Å; L58-L144 HydrophobicContact CD2-CD1 3.54Å; L68-L144 HydrophobicContact CD2-CD2 4.39Å; L144-L279 HydrophobicContact CD2-CD2 3.84Å; L144-I286 HydrophobicContact CD2-CD1 4.43Å |
| 145 | P | 95.4 | Very high | 92 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -80 | 162.5 | 178.7 | 34.1 | -32.3 | 0 | 0 | 0 | 110.9 | A149 I255 Q256 Y257 L279 P280 V283 | P145-A149 HydrophobicContact CB-CB 4.16Å; P145-I255 HydrophobicContact CB-CG2 3.79Å; P145-Q256 WeakPolarHBondContact CD-O 3.48Å; P145-Q256 WeakPolarHBondContact CG-O 3.47Å; P145-Y257 HydrophobicContact CB-CD1 4.39Å; P145-Y257 HydrophobicContact CB-CE1 4.29Å; P145-L279 HydrophobicContact CG-CB 4.27Å; P145-L279 HydrophobicContact CG-CD2 4.44Å; P145-L279 HydrophobicContact CG-CG 4.17Å; P145-P280 HydrophobicContact CB-CG 3.95Å; P145-P280 HydrophobicContact CG-CB 4.36Å; P145-P280 HydrophobicContact CG-CG 3.71Å; P145-V283 HydrophobicContact CG-CG2 4.09Å |
| 146 | D | 93.5 | Very high | 91.7 | Very high | 106 Ų | 106 | 62.5 Ų | 62.5 | 57% | 0.567 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 146.1 | 167.7 | -177.4 | -93.7 | 0 | 0 | 0 | 110.6 | R148 A149 | D146-R148 PolarHBondContact O-N 2.93Å; D146-R148 VanDerWaalsContact O-N 3.08Å; D146-R148 WeakPolarHBondContact OD1-CA 3.38Å; D146-R148 VanDerWaalsContact OD1-CB 3.29Å; D146-R148 WeakPolarHBondContact OD1-CB 3.41Å; D146-R148 PolarHBondContact OD1-N 2.61Å; D146-A149 HydrophobicContact CB-CB 4.29Å; D146-A149 WeakPolarHBondContact O-CB 3.15Å; D146-A149 PolarHBondContact O-N 3.18Å |
| 147 | R | 94.1 | Very high | 91.8 | Very high | 129 Ų | 129 | 61.9 Ų | 61.9 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.2 | 179.5 | -68.2 | 174.5 | 174.5 | -158.6 | 8.9 | 113.8 | V283 E287 | R147-V283 HydrophobicContact CG-CB 3.92Å; R147-V283 HydrophobicContact CG-CG1 3.85Å; R147-E287 IonicContact CZ-OE1 3.82Å; R147-E287 VanDerWaalsContact CZ-OE1 3.28Å; R147-E287 IonicContact CZ-OE2 3.28Å; R147-E287 IonicContact NE-OE1 2.65Å; R147-E287 PolarHBondContact NE-OE1 2.85Å; R147-E287 IonicContact NH2-OE1 3.86Å; R147-E287 PolarHBondContact NH2-OE1 2.84Å; R147-E287 IonicContact NH2-OE2 3.24Å; R147-E287 PolarHBondContact NH2-OE2 3.38Å |
| 148 | R | 94.1 | Very high | 91.9 | Very high | 227 Ų | 227 | 61.2 Ų | 61.2 | 86% | 0.857 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 7.3 | 178.4 | -52.6 | 178.5 | 179.4 | -179.5 | 0.3 | 112.4 | D146 R150 | D146-R148 PolarHBondContact O-N 2.93Å; D146-R148 VanDerWaalsContact O-N 3.08Å; D146-R148 WeakPolarHBondContact OD1-CA 3.38Å; D146-R148 VanDerWaalsContact OD1-CB 3.29Å; D146-R148 WeakPolarHBondContact OD1-CB 3.41Å; D146-R148 PolarHBondContact OD1-N 2.61Å; R148-R150 PolarHBondContact O-N 2.9Å |
| 149 | A | 93.1 | Very high | 91.8 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 136.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P145 D146 Y257 F278 P280 | P145-A149 HydrophobicContact CB-CB 4.16Å; D146-A149 HydrophobicContact CB-CB 4.29Å; D146-A149 WeakPolarHBondContact O-CB 3.15Å; D146-A149 PolarHBondContact O-N 3.18Å; A149-Y257 HydrophobicContact CB-CE1 3.83Å; A149-F278 WeakPolarHBondContact O-CZ 3.43Å; A149-P280 HydrophobicContact CB-CB 4.42Å; A149-P280 HydrophobicContact CB-CG 4.1Å |
| 150 | R | 93 | Very high | 91.5 | Very high | 224 Ų | 224 | 59.8 Ų | 59.8 | 85% | 0.845 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 165 | 179 | -65.6 | -177.7 | 179.2 | 178.4 | -1 | 110.2 | R148 Y257 | R148-R150 PolarHBondContact O-N 2.9Å; R150-Y257 WeakPolarHBondContact O-CE1 3.21Å |
| 151 | L | 91.8 | Very high | 90.9 | Very high | 41 Ų | 41 | 59.6 Ų | 59.6 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 125.1 | 175.7 | -168.9 | 68.6 | 0 | 0 | 0 | 110.4 | V153 V200 I201 I203 F222 F278 | L151-V153 HydrophobicContact CB-CG2 4.31Å; L151-V153 HydrophobicContact CD2-CG2 3.75Å; L151-V153 HydrophobicContact CG-CG2 3.89Å; L151-V153 PolarHBondContact O-N 3.05Å; L151-V200 HydrophobicContact CD1-CG1 3.58Å; L151-V200 HydrophobicContact CD2-CG1 4.05Å; L151-V200 HydrophobicContact CG-CG1 3.55Å; L151-I201 WeakPolarHBondContact CD2-O 3.48Å; L151-I203 HydrophobicContact CD2-CG1 4.4Å; L151-F222 HydrophobicContact CD1-CB 3.46Å; L151-F222 VanDerWaalsContact CD1-CB 3.46Å; L151-F222 HydrophobicContact CD1-CD1 4.15Å; L151-F222 HydrophobicContact CD1-CD2 3.66Å; L151-F222 HydrophobicContact CD1-CE2 4.38Å; L151-F222 HydrophobicContact CD1-CG 3.5Å; L151-F222 VanDerWaalsContact CD1-CG 3.5Å; L151-F222 HydrophobicContact CD2-CB 4.47Å; L151-F278 HydrophobicContact CD1-CD2 4.13Å; L151-F278 HydrophobicContact CD1-CE2 3.94Å |
| 152 | P | 91.3 | Very high | 89.9 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | trans | -81.3 | 50.4 | -171.2 | 35.3 | -39.8 | 0 | 0 | 0 | 112.5 | G154 K155 V200 C248 Y257 | P152-G154 PolarHBondContact O-N 2.92Å; P152-K155 HydrophobicContact CB-CB 4.05Å; P152-K155 HydrophobicContact CB-CG 3.65Å; P152-K155 WeakPolarHBondContact O-CB 3.35Å; P152-K155 WeakPolarHBondContact O-CG 3.3Å; P152-K155 PolarHBondContact O-N 2.77Å; P152-K155 VanDerWaalsContact O-N 3.11Å; P152-V200 HydrophobicContact CG-CB 4.48Å; P152-V200 HydrophobicContact CG-CG1 4.4Å; P152-V200 HydrophobicContact CG-CG2 4.12Å; P152-C248 HydrophobicContact CB-CB 4.42Å; P152-C248 VanDerWaalsContact CG-SG 3.51Å; P152-Y257 HydrophobicContact CB-CD1 4.41Å; P152-Y257 HydrophobicContact CB-CD2 4.15Å; P152-Y257 HydrophobicContact CB-CE1 4.27Å; P152-Y257 HydrophobicContact CB-CE2 3.99Å; P152-Y257 HydrophobicContact CB-CG 4.32Å; P152-Y257 HydrophobicContact CG-CD1 3.83Å; P152-Y257 HydrophobicContact CG-CD2 3.83Å; P152-Y257 HydrophobicContact CG-CE1 4.18Å; P152-Y257 HydrophobicContact CG-CE2 4.16Å; P152-Y257 HydrophobicContact CG-CG 3.61Å | ||
| 153 | V | 90.9 | Very high | 88.1 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 44% | 0.436 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 132 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | L151 K155 V200 | L151-V153 HydrophobicContact CB-CG2 4.31Å; L151-V153 HydrophobicContact CD2-CG2 3.75Å; L151-V153 HydrophobicContact CG-CG2 3.89Å; L151-V153 PolarHBondContact O-N 3.05Å; V153-K155 PolarHBondContact O-N 3.14Å; V153-V200 HydrophobicContact CG2-CG1 4.37Å |
| 154 | G | 86.6 | Confident | 85.8 | Confident | 72 Ų | 72 | 59.6 Ų | 59.6 | 74% | 0.742 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P152 | P152-G154 PolarHBondContact O-N 2.92Š|
| 155 | K | 89.7 | Confident | 83.3 | Confident | 87 Ų | 87 | 61.6 Ų | 61.6 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -77.5 | 154.8 | 169.8 | -56.2 | -67.9 | 176.5 | 150.1 | 0 | 110.1 | P152 V153 C157 C248 E250 | P152-K155 HydrophobicContact CB-CB 4.05Å; P152-K155 HydrophobicContact CB-CG 3.65Å; P152-K155 WeakPolarHBondContact O-CB 3.35Å; P152-K155 WeakPolarHBondContact O-CG 3.3Å; P152-K155 PolarHBondContact O-N 2.77Å; P152-K155 VanDerWaalsContact O-N 3.11Å; V153-K155 PolarHBondContact O-N 3.14Å; K155-C157 PolarHBondContact O-N 2.81Å; K155-C157 VanDerWaalsContact O-N 3.14Å; K155-C248 HydrophobicContact CB-CB 4.4Å; K155-E250 HydrophobicContact CD-CG 4.15Å; K155-E250 WeakPolarHBondContact CE-OE2 3.1Å; K155-E250 HydrophobicContact CG-CG 4.44Å; K155-E250 IonicContact NZ-OE2 2.74Å; K155-E250 PolarHBondContact NZ-OE2 2.87Å |
| 156 | K | 86.8 | Confident | 80.4 | Confident | 153 Ų | 153 | 63.4 Ų | 63.4 | 67% | 0.665 | 31% | 0.308 | S | S | * | . | trans | -74.1 | 103.3 | 170.1 | -68.4 | -172.7 | 179.6 | -176.2 | 0 | 108.5 | Y158 C248 H249 | K156-Y158 HydrophobicContact CB-CE2 4.33Å; K156-C248 WeakPolarHBondContact O-CA 3.36Å; K156-H249 PolarHBondContact O-N 3.28Å | ||
| 157 | C | 88.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 157.6 | 177.5 | -52.1 | 0 | 0 | 0 | 0 | 111 | K155 I198 V200 L246 V247 C248 | K155-C157 PolarHBondContact O-N 2.81Å; K155-C157 VanDerWaalsContact O-N 3.14Å; C157-I198 HydrophobicContact CB-CG2 3.96Å; C157-I198 WeakPolarHBondContact CB-O 3.06Å; C157-I198 PolarHBondContact O-N 2.8Å; C157-V200 HydrophobicContact CB-CG2 4.3Å; C157-L246 HydrophobicContact CB-CD2 3.89Å; C157-V247 CarbonylContact C-O 3.5Å; C157-V247 WeakPolarHBondContact CA-O 3.12Å; C157-C248 HydrophobicContact CB-CB 4.06Å; C157-C248 WeakPolarHBondContact CB-SG 3.45Å; C157-C248 WeakPolarHBondContact SG-CB 3.19Å; C157-C248 CovalentContact SG-SG 2.04Å; C157-C248 PolarHBondContact SG-SG 2.9Å |
| 158 | Y | 86.3 | Confident | 74.4 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 152.2 | -176.6 | -52.9 | -90 | 0 | 0 | 0 | 110.5 | L13 W24 K156 M195 V196 D197 L246 V247 F254 | L13-Y158 HydrophobicContact CD1-CD2 4.21Å; L13-Y158 HydrophobicContact CD1-CE2 3.98Å; W24-Y158 HydrophobicContact CH2-CD1 4.2Å; W24-Y158 HydrophobicContact CH2-CE1 4.17Å; W24-Y158 HydrophobicContact CZ2-CD1 4.25Å; W24-Y158 HydrophobicContact CZ2-CE1 4.19Å; K156-Y158 HydrophobicContact CB-CE2 4.33Å; Y158-M195 HydrophobicContact CD1-CE 3.71Å; Y158-M195 HydrophobicContact CD2-CE 3.99Å; Y158-M195 HydrophobicContact CG-CE 3.4Å; Y158-V196 WeakPolarHBondContact CA-O 3.25Å; Y158-D197 HydrophobicContact CD1-CB 4.2Å; Y158-D197 HydrophobicContact CE1-CB 4.2Å; Y158-L246 WeakPolarHBondContact O-CA 3.4Å; Y158-V247 PolarHBondContact N-O 3.18Å; Y158-V247 PolarHBondContact O-N 3.04Å; Y158-F254 HydrophobicContact CD2-CE1 4.11Å; Y158-F254 HydrophobicContact CE2-CE1 4.1Å |
| 159 | V | 85.3 | Confident | 71.4 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 142.9 | 169.9 | 171.4 | 0 | 0 | 0 | 0 | 108.1 | M195 V196 I198 L246 V260 Y276 | V159-M195 WeakPolarHBondContact O-CA 3.41Å; V159-V196 HydrophobicContact CB-CG1 4.2Å; V159-V196 PolarHBondContact N-O 3.13Å; V159-V196 PolarHBondContact O-N 2.05Å; V159-I198 HydrophobicContact CG2-CD1 4.17Å; V159-I198 HydrophobicContact CG2-CG2 4.08Å; V159-L246 HydrophobicContact CG2-CB 3.88Å; V159-L246 HydrophobicContact CG2-CD1 4.04Å; V159-L246 HydrophobicContact CG2-CG 3.9Å; V159-V260 HydrophobicContact CG1-CG2 3.64Å; V159-Y276 HydrophobicContact CG2-CE1 3.85Å |
| 160 | S | 84.7 | Confident | 68.5 | Low | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148 | 175.3 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | H34 M194 | H34-S160 PolarHBondContact ND1-OG 2.82Å; S160-M194 WeakPolarHBondContact CA-O 3.47Å; S160-M194 WeakPolarHBondContact CB-O 3.28Å |
| 161 | G | 79.5 | Confident | 65.6 | Low | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | 162.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M194 D241 | G161-M194 PolarHBondContact N-O 2.72Å; G161-M194 PolarHBondContact O-N 2.8Å; G161-D241 WeakPolarHBondContact CA-OD1 3.19Å |
| 162 | H | 75.2 | Confident | 62.6 | Low | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -102.1 | 21.9 | 167.8 | -67.8 | 95.8 | 0 | 0 | 0 | 110.3 | H34 H95 V97 P190 K192 L193 | H34-H162 AromaticContact NE2-CE1 3.77Å; H34-H162 AromaticContact NE2-ND1 3.41Å; H34-H162 PolarHBondContact NE2-ND1 3.47Å; H95-H162 PolarHBondContact O-NE2 2.76Å; V97-H162 HydrophobicContact CG1-CB 4.46Å; H162-P190 WeakPolarHBondContact O-CD 3.35Å; H162-K192 VanDerWaalsContact CD2-C 3.4Å; H162-L193 PolarHBondContact CD2-N 3.2Å; H162-L193 WeakPolarHBondContact NE2-CA 3.43Å; H162-L193 PolarHBondContact NE2-N 3.05Å |
| 163 | G | 59 | Low | 59.9 | Low | 3 Ų | 3 | 64.8 Ų | 64.8 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | trans | -80.7 | 154 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I165 P190 Q239 G240 D241 | G163-I165 PolarHBondContact O-N 2.03Å; G163-P190 VanDerWaalsContact C-CD 3.45Å; G163-P190 WeakPolarHBondContact O-CD 3.49Å; G163-P190 WeakPolarHBondContact O-CG 3.19Å; G163-Q239 WeakPolarHBondContact CA-O 3.47Å; G163-G240 VanDerWaalsContact CA-C 3.49Å; G163-D241 WeakPolarHBondContact CA-OD1 3.33Å; G163-D241 PolarHBondContact N-OD1 2.93Å | ||
| 164 | S | 47 | Very low | 57.1 | Low | 7 Ų | 7 | 66.2 Ų | 66.2 | 5% | 0.049 | 36% | 0.357 | C | S | . | . | trans | -60.7 | 122.5 | -167.9 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | S166 L188 I238 Q239 | S164-S166 PolarHBondContact O-N 3.25Å; S164-L188 WeakPolarHBondContact CB-O 3.41Å; S164-L188 PolarHBondContact OG-O 3.18Å; S164-I238 WeakPolarHBondContact O-CD1 3.15Å; S164-I238 VanDerWaalsContact O-CG2 3.31Å; S164-I238 WeakPolarHBondContact O-CG2 3.36Å; S164-Q239 PolarHBondContact N-O 3.26Å | ||
| 165 | I | 44.8 | Very low | 54.7 | Low | 77 Ų | 77 | 72 Ų | 72 | 40% | 0.395 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -65.1 | 4.2 | 176.3 | 57.6 | 173.2 | 0 | 0 | 0 | 114.6 | G163 P190 M194 | G163-I165 PolarHBondContact O-N 2.03Å; I165-P190 HydrophobicContact CG2-CB 4.3Å; I165-P190 HydrophobicContact CG2-CG 4.14Å; I165-M194 HydrophobicContact CG2-CE 4.23Å; I165-M194 HydrophobicContact CG2-CG 4Å |
| 166 | S | 33.8 | Very low | 52.1 | Low | 46 Ų | 46 | 75 Ų | 75 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | trans | -110.6 | 80.5 | -175.5 | -151.4 | 0 | 0 | 0 | 0 | 114.5 | S164 M168 K169 | S164-S166 PolarHBondContact O-N 3.25Å; S166-M168 PolarHBondContact O-N 2.86Å; S166-M168 VanDerWaalsContact O-N 3.13Å; S166-K169 WeakPolarHBondContact OG-CB 3.22Å; S166-K169 PolarHBondContact OG-N 3.13Å | ||
| 167 | G | 33.6 | Very low | 49.6 | Very low | 37 Ų | 37 | 73.6 Ų | 73.6 | 38% | 0.381 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -61 | -11.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 168 | M | 28.7 | Very low | 46.9 | Very low | 140 Ų | 140 | 79.3 Ų | 79.3 | 69% | 0.69 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -112.9 | -17.4 | -170.6 | -77.7 | -179.1 | -77.8 | 0 | 0 | 116.6 | S166 L170 L171 | S166-M168 PolarHBondContact O-N 2.86Å; S166-M168 VanDerWaalsContact O-N 3.13Å; M168-L170 PolarHBondContact O-N 3.24Å; M168-L171 HydrophobicContact CG-CD1 4.3Å; M168-L171 WeakPolarHBondContact O-CB 3Å; M168-L171 PolarHBondContact O-N 2.92Å |
| 169 | K | 30.5 | Very low | 44.3 | Very low | 154 Ų | 154 | 88.5 Ų | 88.5 | 67% | 0.67 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -69.4 | -15.4 | -175.1 | -129.7 | 176.3 | -177.8 | -179.8 | 0 | 115 | S166 L171 | S166-K169 WeakPolarHBondContact OG-CB 3.22Å; S166-K169 PolarHBondContact OG-N 3.13Å; K169-L171 VanDerWaalsContact C-N 3.32Å |
| 170 | L | 32.7 | Very low | 41.8 | Very low | 83 Ų | 83 | 97.6 Ų | 97.6 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -79.7 | -11.3 | 177.7 | -149.8 | 73.7 | 0 | 0 | 0 | 113.5 | M168 L172 I267 | M168-L170 PolarHBondContact O-N 3.24Å; L170-L172 VanDerWaalsContact C-N 3.27Å; L170-L172 PolarHBondContact O-N 3.2Å; L170-I267 HydrophobicContact CD2-CD1 4.42Å; L170-I267 HydrophobicContact CG-CD1 4.46Å |
| 171 | L | 31.5 | Very low | 39.2 | Very low | 89 Ų | 89 | 105 Ų | 105 | 47% | 0.466 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -77.5 | 1.1 | -173.6 | -82.4 | 160.4 | 0 | 0 | 0 | 115.5 | M168 K169 I267 | M168-L171 HydrophobicContact CG-CD1 4.3Å; M168-L171 WeakPolarHBondContact O-CB 3Å; M168-L171 PolarHBondContact O-N 2.92Å; K169-L171 VanDerWaalsContact C-N 3.32Å; L171-I267 HydrophobicContact CD2-CD1 4.43Å; L171-I267 HydrophobicContact CD2-CG2 3.67Å |
| 172 | L | 29.1 | Very low | 36.8 | Very low | 164 Ų | 164 | 109.9 Ų | 109.9 | 86% | 0.859 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -125.6 | -0.2 | -172.3 | -93.4 | 161 | 0 | 0 | 0 | 115.7 | L170 | L170-L172 VanDerWaalsContact C-N 3.27Å; L170-L172 PolarHBondContact O-N 3.2Å |
| 173 | I | 33.5 | Very low | 34.6 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | -21.1 | -172 | -57.9 | -179.8 | 0 | 0 | 0 | 112.9 | Q175 | I173-Q175 PolarHBondContact O-N 2.76Š|
| 174 | N | 33 | Very low | 33.1 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | 23.5 | -174.6 | -75.3 | 5.3 | 0 | 0 | 0 | 115.8 | ||
| 175 | Q | 35.6 | Very low | 32.3 | Very low | 193 Ų | 193 | 127 Ų | 127 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 5.9 | 171 | -82.6 | -166.3 | -18.9 | 0 | 0 | 114.3 | I173 | I173-Q175 PolarHBondContact O-N 2.76Š|
| 176 | I | 34.7 | Very low | 31.6 | Very low | 152 Ų | 152 | 128 Ų | 128 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -111.7 | 126.2 | 174.7 | -58.1 | -178.7 | 0 | 0 | 0 | 110 | T178 | I176-T178 PolarHBondContact O-N 2.81Š|
| 177 | T | 34.5 | Very low | 31.8 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | -59.4 | 125.5 | -171.5 | 45.4 | 0 | 0 | 0 | 0 | 114.2 | R179 | T177-R179 PolarHBondContact O-N 3.28Š| ||
| 178 | T | 32.4 | Very low | 32.4 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 15 | 96.3 | 143.8 | 55 | 0 | 0 | 0 | 0 | 117.7 | I176 | I176-T178 PolarHBondContact O-N 2.81Š|
| 179 | R | 32 | Very low | 33.5 | Very low | 236 Ų | 236 | 127.7 Ų | 127.7 | 89% | 0.891 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 178 | -7.4 | 134.9 | -100.3 | 172.2 | -173.3 | -145.9 | 0.8 | 116.8 | T177 | T177-R179 PolarHBondContact O-N 3.28Š|
| 180 | F | 31.2 | Very low | 34.6 | Very low | 204 Ų | 204 | 121.1 Ų | 121.1 | 90% | 0.895 | 66% | 0.659 | S | S | * | * | trans | -108.5 | 29.4 | -176.4 | -77.5 | -84.9 | 0 | 0 | 0 | 115.3 | S182 | F180-S182 PolarHBondContact O-N 2.91Š| ||
| 181 | F | 31 | Very low | 36.6 | Very low | 157 Ų | 157 | 120.3 Ų | 120.3 | 69% | 0.689 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 11.1 | -159.3 | -139.9 | -95.6 | 0 | 0 | 0 | 117 | ||
| 182 | S | 28.5 | Very low | 38.8 | Very low | 104 Ų | 104 | 120 Ų | 120 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 4.6 | -165.6 | 64.4 | 0 | 0 | 0 | 0 | 118.1 | F180 | F180-S182 PolarHBondContact O-N 2.91Š|
| 183 | L | 29.7 | Very low | 41.3 | Very low | 168 Ų | 168 | 112.4 Ų | 112.4 | 88% | 0.88 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -132.8 | -0.7 | -176.1 | -98.5 | 97.2 | 0 | 0 | 0 | 117.5 | ||
| 184 | A | 28.2 | Very low | 43.5 | Very low | 97 Ų | 97 | 108.7 Ų | 108.7 | 80% | 0.802 | 59% | 0.589 | S | S | * | * | trans | -113.9 | 8.2 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 185 | T | 28.6 | Very low | 45.5 | Very low | 105 Ų | 105 | 104 Ų | 104 | 64% | 0.644 | 56% | 0.564 | S | S | * | * | trans | -104.8 | 25.4 | -167.9 | 53.6 | 0 | 0 | 0 | 0 | 115.7 | A187 | T185-A187 PolarHBondContact O-N 2.94Š| ||
| 186 | A | 31.6 | Very low | 47.3 | Very low | 100 Ų | 100 | 95.5 Ų | 95.5 | 83% | 0.826 | 53% | 0.525 | S | S | * | . | trans | -76.4 | 73.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L188 | A186-L188 PolarHBondContact O-N 2.87Å; A186-L188 VanDerWaalsContact O-N 3.15Å | ||
| 187 | A | 37.7 | Very low | 49.1 | Very low | 60 Ų | 60 | 89.6 Ų | 89.6 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | trans | -63.8 | 114.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | T185 L189 | T185-A187 PolarHBondContact O-N 2.94Å; A187-L189 PolarHBondContact O-N 2.97Å | ||
| 188 | L | 46.2 | Very low | 51.2 | Low | 100 Ų | 100 | 83.9 Ų | 83.9 | 52% | 0.524 | 46% | 0.46 | S | S | . | . | trans | -43.7 | 107.9 | -175.7 | -72.5 | 144.5 | 0 | 0 | 0 | 111.9 | S164 A186 T350 | S164-L188 WeakPolarHBondContact CB-O 3.41Å; S164-L188 PolarHBondContact OG-O 3.18Å; A186-L188 PolarHBondContact O-N 2.87Å; A186-L188 VanDerWaalsContact O-N 3.15Å; L188-T350 WeakPolarHBondContact CD2-O 3Å | ||
| 189 | L | 51.1 | Low | 53.4 | Low | 55 Ų | 55 | 80.1 Ų | 80.1 | 29% | 0.288 | 44% | 0.435 | S | S | . | . | trans | -78.6 | 137.2 | 169 | -60.9 | 174.1 | 0 | 0 | 0 | 107.6 | Q50 A187 E191 Q239 | Q50-L189 VanDerWaalsContact CD-CD1 3.47Å; Q50-L189 HydrophobicContact CG-CD1 4.11Å; A187-L189 PolarHBondContact O-N 2.97Å; L189-E191 PolarHBondContact O-N 3.5Å; L189-Q239 WeakPolarHBondContact CD2-O 3.34Å | ||
| 190 | P | 54.6 | Low | 56 | Low | 17 Ų | 17 | 69.1 Ų | 69.1 | 11% | 0.11 | 39% | 0.394 | C | S | . | . | trans | -62 | 127 | 173.1 | 29.2 | -36.8 | 0 | 0 | 0 | 109.5 | H162 G163 I165 K192 M194 | H162-P190 WeakPolarHBondContact O-CD 3.35Å; G163-P190 VanDerWaalsContact C-CD 3.45Å; G163-P190 WeakPolarHBondContact O-CD 3.49Å; G163-P190 WeakPolarHBondContact O-CG 3.19Å; I165-P190 HydrophobicContact CG2-CB 4.3Å; I165-P190 HydrophobicContact CG2-CG 4.14Å; P190-K192 PolarHBondContact O-N 2.93Å; P190-M194 HydrophobicContact CB-CG 3.77Å; P190-M194 HydrophobicContact CB-SD 4.31Å; P190-M194 HydrophobicContact CG-CG 3.7Å | ||
| 191 | E | 73.1 | Confident | 58.6 | Low | 65 Ų | 65 | 60 Ų | 60 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -61.6 | -29.4 | 175.9 | -67.7 | 169.8 | -166.4 | 0 | 0 | 111.4 | D96 V97 T98 L189 T349 | D96-E191 CarbonylContact C-O 3.49Å; D96-E191 WeakPolarHBondContact CA-O 3.31Å; V97-E191 WeakPolarHBondContact CG2-O 3.46Å; V97-E191 PolarHBondContact N-O 2.75Å; T98-E191 HydrophobicContact CG2-CB 3.79Å; T98-E191 HydrophobicContact CG2-CG 3.57Å; L189-E191 PolarHBondContact O-N 3.5Å; E191-T349 WeakPolarHBondContact OE1-CB 2.92Å; E191-T349 WeakPolarHBondContact OE1-CG2 3.08Å; E191-T349 PolarHBondContact OE1-OG1 2.9Å; E191-T349 PolarHBondContact OE2-OG1 3Å |
| 192 | K | 78.4 | Confident | 61.3 | Low | 82 Ų | 82 | 54.2 Ų | 54.2 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -104.6 | 155.5 | -178.9 | -55.8 | -170 | -174.5 | 179.3 | 0 | 112.9 | E25 H95 H162 P190 M194 | E25-K192 HydrophobicContact CG-CB 4.3Å; E25-K192 HydrophobicContact CG-CD 4.07Å; E25-K192 WeakPolarHBondContact OE1-CD 3.31Å; E25-K192 IonicContact OE1-NZ 3.69Å; E25-K192 PolarHBondContact OE1-NZ 3.06Å; E25-K192 VanDerWaalsContact OE2-CD 3.27Å; E25-K192 WeakPolarHBondContact OE2-CD 3.48Å; E25-K192 IonicContact OE2-NZ 3.56Å; E25-K192 PolarHBondContact OE2-NZ 3.22Å; H95-K192 CarbonylContact O-C 3.57Å; H95-K192 WeakPolarHBondContact O-CA 3.19Å; H162-K192 VanDerWaalsContact CD2-C 3.4Å; P190-K192 PolarHBondContact O-N 2.93Å; K192-M194 PolarHBondContact O-N 3.49Å |
| 193 | L | 81.7 | Confident | 64.2 | Low | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | trans | -66.5 | 119.8 | 179.3 | -178.1 | 54 | 0 | 0 | 0 | 110.6 | A26 L31 H34 H95 H162 | A26-L193 HydrophobicContact CB-CB 4.35Å; A26-L193 HydrophobicContact CB-CD2 4.26Å; A26-L193 HydrophobicContact CB-CG 3.98Å; A26-L193 WeakPolarHBondContact CB-O 3.27Å; A26-L193 PolarHBondContact N-O 3.06Å; L31-L193 HydrophobicContact CB-CD2 4.1Å; L31-L193 HydrophobicContact CD1-CD2 3.85Å; L31-L193 HydrophobicContact CD1-CG 4.27Å; H34-L193 HydrophobicContact CB-CD2 4.08Å; H34-L193 VanDerWaalsContact NE2-CD1 3.34Å; H34-L193 WeakPolarHBondContact NE2-CD1 3.1Å; H95-L193 PolarHBondContact O-N 3.1Å; H162-L193 PolarHBondContact CD2-N 3.2Å; H162-L193 WeakPolarHBondContact NE2-CA 3.43Å; H162-L193 PolarHBondContact NE2-N 3.05Å | ||
| 194 | M | 79.5 | Confident | 67 | Low | 35 Ų | 35 | 49.3 Ų | 49.3 | 17% | 0.172 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 153.8 | 174.9 | -57.2 | -57.8 | -67 | 0 | 0 | 110.4 | G23 W24 E25 S160 G161 I165 P190 K192 | G23-M194 WeakPolarHBondContact O-CE 3.34Å; W24-M194 VanDerWaalsContact C-CE 3.41Å; W24-M194 CarbonylContact O-C 3.58Å; W24-M194 WeakPolarHBondContact O-CA 3.42Å; E25-M194 HydrophobicContact CB-SD 4.34Å; S160-M194 WeakPolarHBondContact CA-O 3.47Å; S160-M194 WeakPolarHBondContact CB-O 3.28Å; G161-M194 PolarHBondContact N-O 2.72Å; G161-M194 PolarHBondContact O-N 2.8Å; I165-M194 HydrophobicContact CG2-CE 4.23Å; I165-M194 HydrophobicContact CG2-CG 4Å; P190-M194 HydrophobicContact CB-CG 3.77Å; P190-M194 HydrophobicContact CB-SD 4.31Å; P190-M194 HydrophobicContact CG-CG 3.7Å; K192-M194 PolarHBondContact O-N 3.49Å |
| 195 | M | 76 | Confident | 69.7 | Low | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 143.6 | 178.6 | -172.2 | 174.9 | -166.3 | 0 | 0 | 110.3 | L13 G23 W24 A26 L31 Y158 V159 | L13-M195 HydrophobicContact CD1-CE 3.53Å; L13-M195 HydrophobicContact CD1-SD 4.42Å; L13-M195 HydrophobicContact CD2-CE 3.66Å; L13-M195 HydrophobicContact CD2-SD 3.9Å; L13-M195 HydrophobicContact CG-CE 4.17Å; G23-M195 CarbonylContact C-O 3.6Å; G23-M195 WeakPolarHBondContact CA-O 3.4Å; W24-M195 HydrophobicContact CZ2-CG 4.34Å; W24-M195 PolarHBondContact N-O 3.2Å; W24-M195 PolarHBondContact O-N 3.18Å; A26-M195 HydrophobicContact CB-CB 4.17Å; L31-M195 HydrophobicContact CD1-CB 4.41Å; L31-M195 HydrophobicContact CD1-CE 4.46Å; L31-M195 HydrophobicContact CD1-CG 4.33Å; L31-M195 HydrophobicContact CD1-SD 3.88Å; L31-M195 HydrophobicContact CD2-CE 3.77Å; L31-M195 HydrophobicContact CD2-SD 4.13Å; L31-M195 HydrophobicContact CG-SD 4.27Å; Y158-M195 HydrophobicContact CD1-CE 3.71Å; Y158-M195 HydrophobicContact CD2-CE 3.99Å; Y158-M195 HydrophobicContact CG-CE 3.4Å; V159-M195 WeakPolarHBondContact O-CA 3.41Å |
| 196 | V | 72.3 | Confident | 72.4 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 143.9 | 177.2 | 71.1 | 0 | 0 | 0 | 0 | 110.4 | Y158 V159 T226 T235 | Y158-V196 WeakPolarHBondContact CA-O 3.25Å; V159-V196 HydrophobicContact CB-CG1 4.2Å; V159-V196 PolarHBondContact N-O 3.13Å; V159-V196 PolarHBondContact O-N 2.05Å; V196-T226 HydrophobicContact CG2-CG2 4.1Å; V196-T235 HydrophobicContact CG1-CG2 4.22Å |
| 197 | D | 73.8 | Confident | 74.9 | Confident | 28 Ų | 28 | 44.8 Ų | 44.8 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 140.9 | 166.9 | 70.1 | -51.3 | 0 | 0 | 0 | 109.9 | N18 W24 Y158 | N18-D197 PolarHBondContact ND2-OD2 3.21Å; N18-D197 VanDerWaalsContact OD1-CG 3.26Å; N18-D197 PolarHBondContact OD1-OD1 3.36Å; N18-D197 VanDerWaalsContact OD1-OD1 3.14Å; W24-D197 HydrophobicContact CH2-CB 3.93Å; W24-D197 VanDerWaalsContact CH2-N 3.29Å; W24-D197 HydrophobicContact CZ3-CB 4.3Å; Y158-D197 HydrophobicContact CD1-CB 4.2Å; Y158-D197 HydrophobicContact CE1-CB 4.2Å |
| 198 | I | 77.5 | Confident | 77 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 140.3 | 178.9 | -151.9 | 172.8 | 0 | 0 | 0 | 110.8 | C157 V159 A224 G225 T235 L246 Y276 | C157-I198 HydrophobicContact CB-CG2 3.96Å; C157-I198 WeakPolarHBondContact CB-O 3.06Å; C157-I198 PolarHBondContact O-N 2.8Å; V159-I198 HydrophobicContact CG2-CD1 4.17Å; V159-I198 HydrophobicContact CG2-CG2 4.08Å; I198-A224 HydrophobicContact CD1-CB 3.55Å; I198-A224 HydrophobicContact CG1-CB 3.76Å; I198-A224 HydrophobicContact CG2-CB 4.4Å; I198-G225 WeakPolarHBondContact CG1-O 3.5Å; I198-T235 VanDerWaalsContact CD1-OG1 3.31Å; I198-T235 WeakPolarHBondContact CD1-OG1 3.44Å; I198-L246 HydrophobicContact CD1-CD1 4.49Å; I198-L246 HydrophobicContact CG2-CD1 3.71Å; I198-L246 HydrophobicContact CG2-CG 3.98Å; I198-Y276 HydrophobicContact CD1-CE2 4.05Å; I198-Y276 WeakPolarHBondContact CD1-OH 3.14Å |
| 199 | N | 79.6 | Confident | 78.3 | Confident | 44 Ų | 44 | 46.8 Ų | 46.8 | 24% | 0.235 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.5 | 179.8 | -61.5 | -95.6 | 0 | 0 | 0 | 106.7 | I201 A224 G225 N227 | N199-I201 PolarHBondContact O-N 3.07Å; N199-A224 CarbonylContact O-C 3.55Å; N199-A224 VanDerWaalsContact O-CA 3.25Å; N199-A224 WeakPolarHBondContact O-CA 3.19Å; N199-A224 WeakPolarHBondContact O-CB 3.49Å; N199-G225 PolarHBondContact N-O 2.71Å; N199-G225 PolarHBondContact O-N 2.97Å; N199-N227 VanDerWaalsContact CG-CG 3.47Å; N199-N227 PolarHBondContact ND2-ND2 3.02Å; N199-N227 VanDerWaalsContact ND2-ND2 3.2Å; N199-N227 PolarHBondContact ND2-OD1 3.18Å; N199-N227 PolarHBondContact OD1-ND2 2.94Å |
| 200 | V | 86.3 | Confident | 79.3 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123.5 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | L151 P152 V153 C157 F222 A224 L246 | L151-V200 HydrophobicContact CD1-CG1 3.58Å; L151-V200 HydrophobicContact CD2-CG1 4.05Å; L151-V200 HydrophobicContact CG-CG1 3.55Å; P152-V200 HydrophobicContact CG-CB 4.48Å; P152-V200 HydrophobicContact CG-CG1 4.4Å; P152-V200 HydrophobicContact CG-CG2 4.12Å; V153-V200 HydrophobicContact CG2-CG1 4.37Å; C157-V200 HydrophobicContact CB-CG2 4.3Å; V200-F222 HydrophobicContact CG1-CD2 3.79Å; V200-F222 HydrophobicContact CG1-CE2 3.96Å; V200-F222 HydrophobicContact CG2-CE2 3.94Å; V200-A224 HydrophobicContact CG2-CB 4.29Å; V200-L246 HydrophobicContact CG2-CD1 4.46Å; V200-L246 HydrophobicContact CG2-CD2 4.17Å |
| 201 | I | 84.5 | Confident | 79.9 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -89.2 | 143.5 | -171.3 | -60.5 | 162.3 | 0 | 0 | 0 | 108.4 | L151 N199 E205 C206 L209 C223 L232 A273 | L151-I201 WeakPolarHBondContact CD2-O 3.48Å; N199-I201 PolarHBondContact O-N 3.07Å; I201-E205 HydrophobicContact CG2-CB 3.58Å; I201-E205 HydrophobicContact CG2-CG 3.65Å; I201-C206 HydrophobicContact CG2-CB 4.29Å; I201-L209 HydrophobicContact CD1-CD1 4.12Å; I201-L209 HydrophobicContact CG2-CD1 4.37Å; I201-C223 HydrophobicContact CB-CB 3.98Å; I201-C223 HydrophobicContact CD1-CB 3.97Å; I201-C223 HydrophobicContact CG2-CB 4.48Å; I201-C223 PolarHBondContact N-O 3.28Å; I201-L232 HydrophobicContact CD1-CD2 3.48Å; I201-L232 VanDerWaalsContact CD1-CD2 3.48Å; I201-L232 HydrophobicContact CG1-CD2 4.03Å; I201-A273 HydrophobicContact CD1-CB 4.27Å |
| 202 | S | 89.4 | Confident | 79.5 | Confident | 36 Ų | 36 | 49 Ų | 49 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -66.4 | 162.1 | 177.2 | 89.9 | 0 | 0 | 0 | 0 | 111.7 | E204 E205 C206 | S202-E204 VanDerWaalsContact C-N 3.26Å; S202-E204 WeakPolarHBondContact CB-OE2 3.27Å; S202-E204 PolarHBondContact O-N 3.05Å; S202-E204 PolarHBondContact OG-N 2.77Å; S202-E204 PolarHBondContact OG-OE2 3.43Å; S202-E205 PolarHBondContact O-N 2.91Å; S202-E205 PolarHBondContact OG-N 3.22Å; S202-C206 WeakPolarHBondContact O-CB 3.3Å; S202-C206 PolarHBondContact O-N 3.46Å |
| 203 | I | 88.5 | Confident | 78.7 | Confident | 60 Ų | 60 | 52.5 Ų | 52.5 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 179.7 | -70.2 | 174.9 | 0 | 0 | 0 | 110.8 | L151 R207 F218 | L151-I203 HydrophobicContact CD2-CG1 4.4Å; I203-R207 VanDerWaalsContact CG2-CZ 3.42Å; I203-R207 WeakPolarHBondContact O-CB 3.36Å; I203-R207 VanDerWaalsContact O-CG 3.27Å; I203-R207 WeakPolarHBondContact O-CG 3.21Å; I203-R207 PolarHBondContact O-N 2.84Å; I203-F218 HydrophobicContact CB-CD1 4.29Å; I203-F218 HydrophobicContact CG1-CD1 4.16Å; I203-F218 HydrophobicContact CG2-CD1 3.7Å; I203-F218 HydrophobicContact CG2-CE1 4.01Å; I203-F218 HydrophobicContact CG2-CG 4.25Å |
| 204 | E | 87.8 | Confident | 78 | Confident | 109 Ų | 109 | 53.9 Ų | 53.9 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | -178 | -55.6 | 67.5 | -142.7 | 0 | 0 | 111.8 | S202 | S202-E204 VanDerWaalsContact C-N 3.26Å; S202-E204 WeakPolarHBondContact CB-OE2 3.27Å; S202-E204 PolarHBondContact O-N 3.05Å; S202-E204 PolarHBondContact OG-N 2.77Å; S202-E204 PolarHBondContact OG-OE2 3.43Å |
| 205 | E | 84.8 | Confident | 77.7 | Confident | 57 Ų | 57 | 58 Ų | 58 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -79.2 | -38 | 178.9 | -173.8 | 66.7 | -175.7 | 0 | 0 | 111.2 | I201 S202 R207 R208 L209 | I201-E205 HydrophobicContact CG2-CB 3.58Å; I201-E205 HydrophobicContact CG2-CG 3.65Å; S202-E205 PolarHBondContact O-N 2.91Å; S202-E205 PolarHBondContact OG-N 3.22Å; E205-R207 VanDerWaalsContact C-N 3.29Å; E205-R207 PolarHBondContact O-N 2.84Å; E205-R208 WeakPolarHBondContact O-CB 3.45Å; E205-R208 PolarHBondContact O-N 2.82Å; E205-R208 WeakPolarHBondContact OE2-CD 3.33Å; E205-R208 IonicContact OE2-CZ 3.76Å; E205-R208 IonicContact OE2-NE 4Å; E205-R208 IonicContact OE2-NH1 2.76Å; E205-R208 PolarHBondContact OE2-NH1 2.76Å; E205-L209 HydrophobicContact CG-CD1 4.19Å; E205-L209 WeakPolarHBondContact O-CG 3.21Å; E205-L209 PolarHBondContact O-N 2.93Å |
| 206 | C | 85.2 | Confident | 78 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.9 | -42.9 | 171.5 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | I201 S202 R208 L209 I210 F218 C223 | I201-C206 HydrophobicContact CG2-CB 4.29Å; S202-C206 WeakPolarHBondContact O-CB 3.3Å; S202-C206 PolarHBondContact O-N 3.46Å; C206-R208 VanDerWaalsContact C-N 3.26Å; C206-R208 PolarHBondContact O-N 3.16Å; C206-L209 PolarHBondContact O-N 3.42Å; C206-L209 VanDerWaalsContact O-N 3.1Å; C206-I210 PolarHBondContact O-N 3.37Å; C206-F218 HydrophobicContact CB-CE1 3.91Å; C206-F218 WeakPolarHBondContact SG-CE1 3.32Å; C206-C223 VanDerWaalsContact CA-SG 3.57Å; C206-C223 HydrophobicContact CB-CB 3.51Å; C206-C223 WeakPolarHBondContact CB-SG 3.38Å; C206-C223 WeakPolarHBondContact SG-CB 3.14Å; C206-C223 CovalentContact SG-SG 2.02Å; C206-C223 PolarHBondContact SG-SG 2.7Å |
| 207 | R | 85.6 | Confident | 78.8 | Confident | 147 Ų | 147 | 60.8 Ų | 60.8 | 56% | 0.555 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60 | -26.7 | 174 | -78.3 | 175.3 | -175.8 | 155.3 | 1.7 | 114.9 | I203 E205 F218 | I203-R207 VanDerWaalsContact CG2-CZ 3.42Å; I203-R207 WeakPolarHBondContact O-CB 3.36Å; I203-R207 VanDerWaalsContact O-CG 3.27Å; I203-R207 WeakPolarHBondContact O-CG 3.21Å; I203-R207 PolarHBondContact O-N 2.84Å; E205-R207 VanDerWaalsContact C-N 3.29Å; E205-R207 PolarHBondContact O-N 2.84Å; R207-F218 HydrophobicContact CB-CZ 4.26Å; R207-F218 HydrophobicContact CG-CE1 3.88Å; R207-F218 HydrophobicContact CG-CE2 3.66Å; R207-F218 HydrophobicContact CG-CZ 3.24Å |
| 208 | R | 81.5 | Confident | 79.5 | Confident | 180 Ų | 180 | 61.6 Ų | 61.6 | 68% | 0.679 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -84.4 | -20.8 | 176.8 | -66 | 170.6 | -178.9 | 155.8 | -3.5 | 112.9 | E205 C206 | E205-R208 WeakPolarHBondContact O-CB 3.45Å; E205-R208 PolarHBondContact O-N 2.82Å; E205-R208 WeakPolarHBondContact OE2-CD 3.33Å; E205-R208 IonicContact OE2-CZ 3.76Å; E205-R208 IonicContact OE2-NE 4Å; E205-R208 IonicContact OE2-NH1 2.76Å; E205-R208 PolarHBondContact OE2-NH1 2.76Å; C206-R208 VanDerWaalsContact C-N 3.26Å; C206-R208 PolarHBondContact O-N 3.16Å |
| 209 | L | 73.8 | Confident | 80.2 | Confident | 22 Ų | 22 | 67 Ų | 67 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -96.6 | -34.3 | -175 | -66 | 172.8 | 0 | 0 | 0 | 112 | I201 E205 C206 L232 Q271 T272 A273 | I201-L209 HydrophobicContact CD1-CD1 4.12Å; I201-L209 HydrophobicContact CG2-CD1 4.37Å; E205-L209 HydrophobicContact CG-CD1 4.19Å; E205-L209 WeakPolarHBondContact O-CG 3.21Å; E205-L209 PolarHBondContact O-N 2.93Å; C206-L209 PolarHBondContact O-N 3.42Å; C206-L209 VanDerWaalsContact O-N 3.1Å; L209-L232 HydrophobicContact CD1-CD2 4.13Å; L209-Q271 WeakPolarHBondContact CB-O 3.29Å; L209-Q271 WeakPolarHBondContact CD2-O 3.43Å; L209-T272 VanDerWaalsContact O-CA 3.24Å; L209-T272 WeakPolarHBondContact O-CA 3.48Å; L209-A273 HydrophobicContact CB-CB 4Å; L209-A273 HydrophobicContact CD1-CB 4.27Å |
| 210 | I | 70.8 | Confident | 80.8 | Confident | 30 Ų | 30 | 67.9 Ų | 67.9 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -66.8 | 145.1 | 173.9 | 63.2 | 176.2 | 0 | 0 | 0 | 111.4 | C206 F216 F218 | C206-I210 PolarHBondContact O-N 3.37Å; I210-F216 HydrophobicContact CD1-CB 3.85Å; I210-F216 HydrophobicContact CD1-CD1 4.44Å; I210-F216 HydrophobicContact CD1-CG 4.04Å; I210-F216 HydrophobicContact CG2-CD2 3.94Å; I210-F216 HydrophobicContact CG2-CE2 4.16Å; I210-F216 HydrophobicContact CG2-CG 4.45Å; I210-F218 HydrophobicContact CD1-CE2 3.92Å; I210-F218 HydrophobicContact CD1-CZ 3.72Å |
| 211 | D | 67.2 | Low | 81 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | trans | -66.2 | 143.8 | 171.3 | -161.3 | -5.8 | 0 | 0 | 0 | 109.8 | D213 S214 Y269 T272 | D211-D213 VanDerWaalsContact C-N 3.25Å; D211-D213 PolarHBondContact O-N 3.27Å; D211-S214 VanDerWaalsContact O-CB 3.27Å; D211-S214 WeakPolarHBondContact O-CB 3.23Å; D211-S214 PolarHBondContact O-N 2.98Å; D211-Y269 HydrophobicContact CB-CE1 4.31Å; D211-Y269 WeakPolarHBondContact OD2-CE1 3.31Å; D211-Y269 PolarHBondContact OD2-OH 3.38Å; D211-T272 HydrophobicContact CB-CG2 4.29Å | ||
| 212 | A | 64.7 | Low | 81.4 | Confident | 97 Ų | 97 | 67.5 Ų | 67.5 | 80% | 0.802 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -31.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S214 | A212-S214 VanDerWaalsContact C-N 3.3Š|
| 213 | D | 63.4 | Low | 81.3 | Confident | 156 Ų | 156 | 65.8 Ų | 65.8 | 83% | 0.834 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.7 | 178.1 | -64.1 | -31.3 | 0 | 0 | 0 | 113.2 | D211 E215 | D211-D213 VanDerWaalsContact C-N 3.25Å; D211-D213 PolarHBondContact O-N 3.27Å; D213-E215 PolarHBondContact O-N 2.78Å |
| 214 | S | 66.7 | Low | 80.9 | Confident | 36 Ų | 36 | 62.9 Ų | 62.9 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -79.2 | 115 | 178.8 | 164.5 | 0 | 0 | 0 | 0 | 111.4 | D211 A212 F216 K275 | D211-S214 VanDerWaalsContact O-CB 3.27Å; D211-S214 WeakPolarHBondContact O-CB 3.23Å; D211-S214 PolarHBondContact O-N 2.98Å; A212-S214 VanDerWaalsContact C-N 3.3Å; S214-F216 PolarHBondContact O-N 2.89Å; S214-F216 VanDerWaalsContact O-N 3.15Å; S214-K275 PolarHBondContact OG-NZ 3.16Å |
| 215 | E | 72.8 | Confident | 80.1 | Confident | 121 Ų | 121 | 57.7 Ų | 57.7 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | trans | -52.7 | 122 | 163 | -163.4 | 171.9 | 175.2 | 0 | 0 | 110.2 | K117 D213 K275 | K117-E215 WeakPolarHBondContact CE-OE2 3.46Å; K117-E215 IonicContact NZ-OE1 2.61Å; K117-E215 IonicContact NZ-OE2 3.21Å; K117-E215 PolarHBondContact NZ-OE2 3.13Å; D213-E215 PolarHBondContact O-N 2.78Å; E215-K275 PolarHBondContact O-NZ 2.87Å | ||
| 216 | F | 81.1 | Confident | 78.9 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | trans | -152.5 | 114.3 | -177.6 | -164.3 | -77.4 | 0 | 0 | 0 | 110.3 | I210 S214 F218 Q221 K275 | I210-F216 HydrophobicContact CD1-CB 3.85Å; I210-F216 HydrophobicContact CD1-CD1 4.44Å; I210-F216 HydrophobicContact CD1-CG 4.04Å; I210-F216 HydrophobicContact CG2-CD2 3.94Å; I210-F216 HydrophobicContact CG2-CE2 4.16Å; I210-F216 HydrophobicContact CG2-CG 4.45Å; S214-F216 PolarHBondContact O-N 2.89Å; S214-F216 VanDerWaalsContact O-N 3.15Å; F216-F218 HydrophobicContact CD1-CD1 4.03Å; F216-F218 AromaticContact CD1-CD2 3.8Å; F216-F218 HydrophobicContact CD1-CD2 3.8Å; F216-F218 AromaticContact CD1-CE1 3.91Å; F216-F218 HydrophobicContact CD1-CE1 3.91Å; F216-F218 AromaticContact CD1-CE2 3.64Å; F216-F218 HydrophobicContact CD1-CE2 3.64Å; F216-F218 AromaticContact CD1-CG 3.98Å; F216-F218 HydrophobicContact CD1-CG 3.98Å; F216-F218 AromaticContact CD1-CZ 3.68Å; F216-F218 HydrophobicContact CD1-CZ 3.68Å; F216-F218 AromaticContact CE1-CD1 3.71Å; F216-F218 HydrophobicContact CE1-CD1 3.71Å; F216-F218 HydrophobicContact CE1-CD2 4.33Å; F216-F218 AromaticContact CE1-CE1 3.66Å; F216-F218 HydrophobicContact CE1-CE1 3.66Å; F216-F218 HydrophobicContact CE1-CE2 4.25Å; F216-F218 HydrophobicContact CE1-CG 4.06Å; F216-F218 AromaticContact CE1-CZ 3.91Å; F216-F218 HydrophobicContact CE1-CZ 3.91Å; F216-F218 HydrophobicContact CG-CE2 4.45Å; F216-Q221 HydrophobicContact CD1-CB 4.3Å; F216-Q221 HydrophobicContact CE1-CB 3.78Å; F216-Q221 WeakPolarHBondContact CE1-O 3.38Å; F216-Q221 HydrophobicContact CE2-CB 4.13Å; F216-Q221 HydrophobicContact CZ-CB 3.69Å; F216-K275 HydrophobicContact CD2-CD 3.9Å; F216-K275 HydrophobicContact CD2-CG 4.29Å; F216-K275 HydrophobicContact CE2-CB 4.26Å; F216-K275 HydrophobicContact CE2-CD 3.98Å; F216-K275 HydrophobicContact CE2-CG 3.89Å | ||
| 217 | D | 89.4 | Confident | 77.3 | Confident | 52 Ų | 52 | 60 Ų | 60 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | trans | -97 | 100.3 | -179.9 | -179.6 | -5.1 | 0 | 0 | 0 | 110.1 | A121 E219 K220 Q221 | A121-D217 HydrophobicContact CB-CB 3.54Å; D217-E219 PolarHBondContact O-N 2.97Å; D217-E219 VanDerWaalsContact O-N 3.11Å; D217-E219 WeakPolarHBondContact OD1-CB 3.39Å; D217-E219 PolarHBondContact OD1-N 3.06Å; D217-K220 HydrophobicContact CB-CB 4.36Å; D217-K220 CarbonylContact O-C 3.53Å; D217-K220 PolarHBondContact O-N 2.94Å; D217-K220 WeakPolarHBondContact OD2-CD 2.95Å; D217-K220 VanDerWaalsContact OD2-CE 3.29Å; D217-K220 WeakPolarHBondContact OD2-CE 3.49Å; D217-K220 WeakPolarHBondContact OD2-CG 3.32Å; D217-K220 IonicContact OD2-NZ 3.39Å; D217-Q221 WeakPolarHBondContact O-CA 3.42Å; D217-Q221 WeakPolarHBondContact O-CB 3.25Å; D217-Q221 PolarHBondContact O-N 2.96Å | ||
| 218 | F | 89.5 | Confident | 75.3 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 20% | 0.197 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -13.4 | 179.9 | -74.7 | -84 | 0 | 0 | 0 | 115.2 | I203 C206 R207 I210 F216 | I203-F218 HydrophobicContact CB-CD1 4.29Å; I203-F218 HydrophobicContact CG1-CD1 4.16Å; I203-F218 HydrophobicContact CG2-CD1 3.7Å; I203-F218 HydrophobicContact CG2-CE1 4.01Å; I203-F218 HydrophobicContact CG2-CG 4.25Å; C206-F218 HydrophobicContact CB-CE1 3.91Å; C206-F218 WeakPolarHBondContact SG-CE1 3.32Å; R207-F218 HydrophobicContact CB-CZ 4.26Å; R207-F218 HydrophobicContact CG-CE1 3.88Å; R207-F218 HydrophobicContact CG-CE2 3.66Å; R207-F218 HydrophobicContact CG-CZ 3.24Å; I210-F218 HydrophobicContact CD1-CE2 3.92Å; I210-F218 HydrophobicContact CD1-CZ 3.72Å; F216-F218 HydrophobicContact CD1-CD1 4.03Å; F216-F218 AromaticContact CD1-CD2 3.8Å; F216-F218 HydrophobicContact CD1-CD2 3.8Å; F216-F218 AromaticContact CD1-CE1 3.91Å; F216-F218 HydrophobicContact CD1-CE1 3.91Å; F216-F218 AromaticContact CD1-CE2 3.64Å; F216-F218 HydrophobicContact CD1-CE2 3.64Å; F216-F218 AromaticContact CD1-CG 3.98Å; F216-F218 HydrophobicContact CD1-CG 3.98Å; F216-F218 AromaticContact CD1-CZ 3.68Å; F216-F218 HydrophobicContact CD1-CZ 3.68Å; F216-F218 AromaticContact CE1-CD1 3.71Å; F216-F218 HydrophobicContact CE1-CD1 3.71Å; F216-F218 HydrophobicContact CE1-CD2 4.33Å; F216-F218 AromaticContact CE1-CE1 3.66Å; F216-F218 HydrophobicContact CE1-CE1 3.66Å; F216-F218 HydrophobicContact CE1-CE2 4.25Å; F216-F218 HydrophobicContact CE1-CG 4.06Å; F216-F218 AromaticContact CE1-CZ 3.91Å; F216-F218 HydrophobicContact CE1-CZ 3.91Å; F216-F218 HydrophobicContact CG-CE2 4.45Å |
| 219 | E | 91.2 | Very high | 73.2 | Confident | 115 Ų | 115 | 55.4 Ų | 55.4 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -36.1 | 169.6 | -75.2 | -74.5 | 115.1 | 0 | 0 | 110.9 | D217 K281 | D217-E219 PolarHBondContact O-N 2.97Å; D217-E219 VanDerWaalsContact O-N 3.11Å; D217-E219 WeakPolarHBondContact OD1-CB 3.39Å; D217-E219 PolarHBondContact OD1-N 3.06Å; E219-K281 VanDerWaalsContact O-CE 3.28Å; E219-K281 WeakPolarHBondContact O-CE 3.49Å; E219-K281 WeakPolarHBondContact O-CG 3.37Å; E219-K281 IonicContact OE1-NZ 3.73Å; E219-K281 WeakPolarHBondContact OE2-CE 3.17Å; E219-K281 IonicContact OE2-NZ 2.59Å; E219-K281 PolarHBondContact OE2-NZ 3.2Å |
| 220 | K | 92.7 | Very high | 71.1 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -10.9 | -171.5 | -62.8 | -179.3 | -164.1 | 172.3 | 0 | 115 | A121 N122 D217 F278 F282 | A121-K220 HydrophobicContact CB-CB 4.12Å; A121-K220 HydrophobicContact CB-CD 4.05Å; N122-K220 PolarHBondContact OD1-NZ 3.11Å; D217-K220 HydrophobicContact CB-CB 4.36Å; D217-K220 CarbonylContact O-C 3.53Å; D217-K220 PolarHBondContact O-N 2.94Å; D217-K220 WeakPolarHBondContact OD2-CD 2.95Å; D217-K220 VanDerWaalsContact OD2-CE 3.29Å; D217-K220 WeakPolarHBondContact OD2-CE 3.49Å; D217-K220 WeakPolarHBondContact OD2-CG 3.32Å; D217-K220 IonicContact OD2-NZ 3.39Å; K220-F278 WeakPolarHBondContact O-CB 3.41Å; K220-F278 PolarHBondContact O-N 2.9Å; K220-F282 HydrophobicContact CB-CE2 4.1Å; K220-F282 HydrophobicContact CB-CZ 4.03Å; K220-F282 HydrophobicContact CD-CZ 3.98Å; K220-F282 HydrophobicContact CG-CE2 4.38Å; K220-F282 HydrophobicContact CG-CZ 4.06Å |
| 221 | Q | 91.6 | Very high | 69.2 | Low | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.6 | -175.9 | -65.4 | 173.9 | -48.3 | 0 | 0 | 110.5 | A121 F216 D217 Y276 | A121-Q221 HydrophobicContact CB-CG 4.12Å; F216-Q221 HydrophobicContact CD1-CB 4.3Å; F216-Q221 HydrophobicContact CE1-CB 3.78Å; F216-Q221 WeakPolarHBondContact CE1-O 3.38Å; F216-Q221 HydrophobicContact CE2-CB 4.13Å; F216-Q221 HydrophobicContact CZ-CB 3.69Å; D217-Q221 WeakPolarHBondContact O-CA 3.42Å; D217-Q221 WeakPolarHBondContact O-CB 3.25Å; D217-Q221 PolarHBondContact O-N 2.96Å; Q221-Y276 CarbonylContact C-O 3.54Å; Q221-Y276 VanDerWaalsContact CA-O 3.25Å; Q221-Y276 WeakPolarHBondContact CA-O 3.38Å |
| 222 | F | 91.7 | Very high | 67.5 | Low | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 163.4 | 174.3 | 71.5 | -84.8 | 0 | 0 | 0 | 112.4 | L151 V200 A224 L246 Y257 Y276 F278 | L151-F222 HydrophobicContact CD1-CB 3.46Å; L151-F222 VanDerWaalsContact CD1-CB 3.46Å; L151-F222 HydrophobicContact CD1-CD1 4.15Å; L151-F222 HydrophobicContact CD1-CD2 3.66Å; L151-F222 HydrophobicContact CD1-CE2 4.38Å; L151-F222 HydrophobicContact CD1-CG 3.5Å; L151-F222 VanDerWaalsContact CD1-CG 3.5Å; L151-F222 HydrophobicContact CD2-CB 4.47Å; V200-F222 HydrophobicContact CG1-CD2 3.79Å; V200-F222 HydrophobicContact CG1-CE2 3.96Å; V200-F222 HydrophobicContact CG2-CE2 3.94Å; F222-A224 HydrophobicContact CE2-CB 4.39Å; F222-L246 HydrophobicContact CE2-CD1 3.88Å; F222-L246 HydrophobicContact CE2-CD2 4.48Å; F222-L246 HydrophobicContact CZ-CD1 3.99Å; F222-L246 HydrophobicContact CZ-CD2 4.24Å; F222-Y257 WeakPolarHBondContact CE1-O 3.5Å; F222-Y276 WeakPolarHBondContact CD1-O 3.47Å; F222-Y276 VanDerWaalsContact CE1-CB 3.46Å; F222-Y276 HydrophobicContact CE2-CD2 4.32Å; F222-Y276 HydrophobicContact CE2-CG 4.16Å; F222-Y276 VanDerWaalsContact CZ-CB 3.49Å; F222-Y276 HydrophobicContact CZ-CG 4.08Å; F222-Y276 PolarHBondContact N-O 3.16Å; F222-Y276 PolarHBondContact O-N 2.88Å; F222-F278 HydrophobicContact CD1-CB 3.82Å; F222-F278 AromaticContact CD1-CD2 3.69Å; F222-F278 HydrophobicContact CD1-CD2 3.69Å; F222-F278 HydrophobicContact CD1-CG 4.17Å; F222-F278 HydrophobicContact CE1-CB 4.39Å; F222-F278 AromaticContact CE1-CD2 3.98Å; F222-F278 HydrophobicContact CE1-CD2 3.98Å; F222-F278 HydrophobicContact CG-CD2 4.46Å |
| 223 | C | 87 | Confident | 66.3 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 143.4 | 178.1 | -67.2 | 0 | 0 | 0 | 0 | 112.1 | I201 C206 A273 G274 | I201-C223 HydrophobicContact CB-CB 3.98Å; I201-C223 HydrophobicContact CD1-CB 3.97Å; I201-C223 HydrophobicContact CG2-CB 4.48Å; I201-C223 PolarHBondContact N-O 3.28Å; C206-C223 VanDerWaalsContact CA-SG 3.57Å; C206-C223 HydrophobicContact CB-CB 3.51Å; C206-C223 WeakPolarHBondContact CB-SG 3.38Å; C206-C223 WeakPolarHBondContact SG-CB 3.14Å; C206-C223 CovalentContact SG-SG 2.02Å; C206-C223 PolarHBondContact SG-SG 2.7Å; C223-A273 HydrophobicContact CB-CB 3.72Å; C223-A273 WeakPolarHBondContact SG-CB 3.25Å; C223-G274 WeakPolarHBondContact CA-O 3.39Å |
| 224 | A | 81.1 | Confident | 65.2 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 156.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I198 N199 V200 F222 L246 G274 Y276 | I198-A224 HydrophobicContact CD1-CB 3.55Å; I198-A224 HydrophobicContact CG1-CB 3.76Å; I198-A224 HydrophobicContact CG2-CB 4.4Å; N199-A224 CarbonylContact O-C 3.55Å; N199-A224 VanDerWaalsContact O-CA 3.25Å; N199-A224 WeakPolarHBondContact O-CA 3.19Å; N199-A224 WeakPolarHBondContact O-CB 3.49Å; V200-A224 HydrophobicContact CG2-CB 4.29Å; F222-A224 HydrophobicContact CE2-CB 4.39Å; A224-L246 HydrophobicContact CB-CD1 3.89Å; A224-G274 PolarHBondContact N-O 2.91Å; A224-Y276 HydrophobicContact CB-CD2 3.89Å; A224-Y276 HydrophobicContact CB-CE2 3.6Å |
| 225 | G | 69.9 | Low | 64 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 172.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I198 N199 | I198-G225 WeakPolarHBondContact CG1-O 3.5Å; N199-G225 PolarHBondContact N-O 2.71Å; N199-G225 PolarHBondContact O-N 2.97Å |
| 226 | T | 60.7 | Low | 62.6 | Low | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -94.4 | 143.7 | -178.2 | 71.5 | 0 | 0 | 0 | 0 | 112.4 | V196 S228 K233 T235 | V196-T226 HydrophobicContact CG2-CG2 4.1Å; T226-S228 VanDerWaalsContact C-N 3.32Å; T226-S228 PolarHBondContact O-N 2.78Å; T226-K233 PolarHBondContact N-O 2.86Å; T226-K233 PolarHBondContact O-N 2.76Å; T226-K233 PolarHBondContact OG1-O 2.88Å; T226-T235 HydrophobicContact CG2-CG2 4.03Å |
| 227 | N | 50.6 | Low | 60.8 | Low | 102 Ų | 102 | 54.5 Ų | 54.5 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | trans | -82.2 | 69.2 | 179.2 | -75.9 | -13.2 | 0 | 0 | 0 | 112.1 | N199 K229 | N199-N227 VanDerWaalsContact CG-CG 3.47Å; N199-N227 PolarHBondContact ND2-ND2 3.02Å; N199-N227 VanDerWaalsContact ND2-ND2 3.2Å; N199-N227 PolarHBondContact ND2-OD1 3.18Å; N199-N227 PolarHBondContact OD1-ND2 2.94Å; N227-K229 PolarHBondContact O-N 2.94Å | ||
| 228 | S | 44.7 | Very low | 58.9 | Low | 17 Ų | 17 | 53.4 Ų | 53.4 | 12% | 0.119 | 28% | 0.276 | C | S | . | . | trans | -75.6 | 120.3 | 164.8 | -159.9 | 0 | 0 | 0 | 0 | 109.3 | T226 T230 A231 | T226-S228 VanDerWaalsContact C-N 3.32Å; T226-S228 PolarHBondContact O-N 2.78Å; S228-T230 PolarHBondContact O-N 1.89Å; S228-A231 CarbonylContact O-C 3.42Å; S228-A231 PolarHBondContact O-N 3.34Å | ||
| 229 | K | 36.8 | Very low | 56.8 | Low | 212 Ų | 212 | 57.3 Ų | 57.3 | 92% | 0.922 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 25.4 | -168.7 | -75.5 | -170.1 | 170.9 | -172.9 | 0 | 116.8 | N227 | N227-K229 PolarHBondContact O-N 2.94Š|
| 230 | T | 30.2 | Very low | 54.9 | Low | 135 Ų | 135 | 51.9 Ų | 51.9 | 83% | 0.828 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.2 | -9 | 174.7 | 29.9 | 0 | 0 | 0 | 0 | 114.6 | S228 | S228-T230 PolarHBondContact O-N 1.89Š|
| 231 | A | 30.7 | Very low | 53.6 | Low | 61 Ų | 61 | 50.2 Ų | 50.2 | 50% | 0.504 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -169.8 | 150 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | S228 K233 | S228-A231 CarbonylContact O-C 3.42Å; S228-A231 PolarHBondContact O-N 3.34Å; A231-K233 VanDerWaalsContact C-N 3.29Å; A231-K233 PolarHBondContact O-N 2.87Å |
| 232 | L | 31.4 | Very low | 53 | Low | 62 Ų | 62 | 51.1 Ų | 51.1 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | trans | -63 | 91.7 | 172.6 | -133.5 | 137.6 | 0 | 0 | 0 | 108.5 | I201 L209 V234 | I201-L232 HydrophobicContact CD1-CD2 3.48Å; I201-L232 VanDerWaalsContact CD1-CD2 3.48Å; I201-L232 HydrophobicContact CG1-CD2 4.03Å; L209-L232 HydrophobicContact CD1-CD2 4.13Å; L232-V234 PolarHBondContact O-N 2.9Å | ||
| 233 | K | 39.3 | Very low | 52.7 | Low | 102 Ų | 102 | 50.9 Ų | 50.9 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -79.4 | 100.2 | -178 | -82.2 | -166.7 | -173.4 | 178 | 0 | 107.9 | T226 A231 T235 | T226-K233 PolarHBondContact N-O 2.86Å; T226-K233 PolarHBondContact O-N 2.76Å; T226-K233 PolarHBondContact OG1-O 2.88Å; A231-K233 VanDerWaalsContact C-N 3.29Å; A231-K233 PolarHBondContact O-N 2.87Å; K233-T235 PolarHBondContact O-N 3.38Å |
| 234 | V | 40.6 | Very low | 52.7 | Low | 34 Ų | 34 | 50.9 Ų | 50.9 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | trans | -60 | 129 | 176.7 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | L232 R236 T272 A273 | L232-V234 PolarHBondContact O-N 2.9Å; V234-R236 PolarHBondContact O-N 2.7Å; V234-T272 VanDerWaalsContact CG1-O 3.28Å; V234-T272 WeakPolarHBondContact CG1-O 3.34Å; V234-T272 WeakPolarHBondContact CG2-O 3.37Å; V234-A273 VanDerWaalsContact CG1-C 3.48Å; V234-A273 VanDerWaalsContact CG1-CA 3.5Å; V234-A273 HydrophobicContact CG2-CB 4.33Å | ||
| 235 | T | 41.7 | Very low | 53.3 | Low | 29 Ų | 29 | 50.9 Ų | 50.9 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | trans | -67.1 | 110.1 | 167.6 | -15.8 | 0 | 0 | 0 | 0 | 108.1 | V196 I198 T226 K233 A237 | V196-T235 HydrophobicContact CG1-CG2 4.22Å; I198-T235 VanDerWaalsContact CD1-OG1 3.31Å; I198-T235 WeakPolarHBondContact CD1-OG1 3.44Å; T226-T235 HydrophobicContact CG2-CG2 4.03Å; K233-T235 PolarHBondContact O-N 3.38Å; T235-A237 PolarHBondContact O-N 3.36Å | ||
| 236 | R | 43.2 | Very low | 54.4 | Low | 79 Ų | 79 | 50.9 Ų | 50.9 | 30% | 0.298 | 27% | 0.269 | S | S | . | . | trans | -61.7 | 124.7 | 169.8 | -168.5 | 178.8 | -165.3 | -158.9 | 6.7 | 107.1 | V234 I238 | V234-R236 PolarHBondContact O-N 2.7Å; R236-I238 HydrophobicContact CB-CD1 4.14Å; R236-I238 HydrophobicContact CB-CG1 3.87Å; R236-I238 HydrophobicContact CG-CD1 4.35Å; R236-I238 HydrophobicContact CG-CG1 3.72Å; R236-I238 PolarHBondContact O-N 2.85Å | ||
| 237 | A | 43.9 | Very low | 56 | Low | 22 Ų | 22 | 50.7 Ų | 50.7 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | trans | -68.7 | 115.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | T235 V260 | T235-A237 PolarHBondContact O-N 3.36Å; A237-V260 HydrophobicContact CB-CG1 3.93Å | ||
| 238 | I | 48.7 | Very low | 58.1 | Low | 30 Ų | 30 | 45.9 Ų | 45.9 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | trans | -107.9 | 152.5 | -177.4 | -59.5 | 168.9 | 0 | 0 | 0 | 108.1 | S164 R236 G240 D241 | S164-I238 WeakPolarHBondContact O-CD1 3.15Å; S164-I238 VanDerWaalsContact O-CG2 3.31Å; S164-I238 WeakPolarHBondContact O-CG2 3.36Å; R236-I238 HydrophobicContact CB-CD1 4.14Å; R236-I238 HydrophobicContact CB-CG1 3.87Å; R236-I238 HydrophobicContact CG-CD1 4.35Å; R236-I238 HydrophobicContact CG-CG1 3.72Å; R236-I238 PolarHBondContact O-N 2.85Å; I238-G240 PolarHBondContact O-N 3.25Å; I238-D241 WeakPolarHBondContact O-CB 3.07Å; I238-D241 PolarHBondContact O-N 2.84Å | ||
| 239 | Q | 45.2 | Very low | 60.3 | Low | 127 Ų | 127 | 49 Ų | 49 | 59% | 0.593 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 125.6 | 178 | -166.6 | 169.7 | 13.5 | 0 | 0 | 109.9 | G163 S164 L189 | G163-Q239 WeakPolarHBondContact CA-O 3.47Å; S164-Q239 PolarHBondContact N-O 3.26Å; L189-Q239 WeakPolarHBondContact CD2-O 3.34Å |
| 240 | G | 51.9 | Low | 62.8 | Low | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.3 | -18.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | G163 I238 | G163-G240 VanDerWaalsContact CA-C 3.49Å; I238-G240 PolarHBondContact O-N 3.25Å |
| 241 | D | 65.5 | Low | 65.4 | Low | 27 Ų | 27 | 43.5 Ų | 43.5 | 14% | 0.144 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -23.9 | 171.9 | -59.4 | -41.2 | 0 | 0 | 0 | 112.6 | G161 G163 I238 G243 G244 V260 | G161-D241 WeakPolarHBondContact CA-OD1 3.19Å; G163-D241 WeakPolarHBondContact CA-OD1 3.33Å; G163-D241 PolarHBondContact N-OD1 2.93Å; I238-D241 WeakPolarHBondContact O-CB 3.07Å; I238-D241 PolarHBondContact O-N 2.84Å; D241-G243 PolarHBondContact O-N 3.18Å; D241-G244 WeakPolarHBondContact O-CA 3.49Å; D241-G244 PolarHBondContact O-N 2.94Å; D241-V260 HydrophobicContact CB-CG1 4.27Å; D241-V260 WeakPolarHBondContact O-CB 3.31Å; D241-V260 WeakPolarHBondContact O-CG1 3.36Å |
| 242 | S | 78.1 | Confident | 68 | Low | 22 Ų | 22 | 42.5 Ų | 42.5 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40.3 | 128.8 | 174 | -76.5 | 0 | 0 | 0 | 0 | 112.9 | C51 G52 H72 G244 | C51-S242 CarbonylContact C-O 3.59Å; C51-S242 VanDerWaalsContact CA-O 3.31Å; C51-S242 WeakPolarHBondContact CA-O 3.28Å; C51-S242 WeakPolarHBondContact CB-O 3.33Å; C51-S242 VanDerWaalsContact SG-CB 3.56Å; G52-S242 PolarHBondContact N-O 3.38Å; H72-S242 WeakPolarHBondContact NE2-CB 3.44Å; H72-S242 PolarHBondContact NE2-OG 2.75Å; S242-G244 PolarHBondContact O-N 3.04Å |
| 243 | G | 84.5 | Confident | 70.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -10.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | G52 G53 T69 D241 V260 | G52-G243 CarbonylContact O-C 3.57Å; G52-G243 WeakPolarHBondContact O-CA 3.47Å; G53-G243 WeakPolarHBondContact CA-O 3.48Å; T69-G243 WeakPolarHBondContact OG1-CA 3.4Å; D241-G243 PolarHBondContact O-N 3.18Å; G243-V260 PolarHBondContact N-O 3.12Å |
| 244 | G | 89 | Confident | 73.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -60.1 | 159.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D241 S242 I259 V260 | D241-G244 WeakPolarHBondContact O-CA 3.49Å; D241-G244 PolarHBondContact O-N 2.94Å; S242-G244 PolarHBondContact O-N 3.04Å; G244-I259 CarbonylContact O-C 3.51Å; G244-I259 WeakPolarHBondContact O-CA 3.49Å; G244-V260 WeakPolarHBondContact O-CG2 3.28Å; G244-V260 PolarHBondContact O-N 3.16Å | ||
| 245 | A | 93.4 | Very high | 76.2 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 133.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V247 Q256 | A245-V247 HydrophobicContact CB-CG1 3.84Å; A245-Q256 HydrophobicContact CB-CG 4Å |
| 246 | L | 92.6 | Very high | 78.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 109.8 | 158.5 | -173.4 | 158.4 | 0 | 0 | 0 | 108.1 | C157 Y158 V159 I198 V200 F222 A224 Q256 Y257 G258 Y276 | C157-L246 HydrophobicContact CB-CD2 3.89Å; Y158-L246 WeakPolarHBondContact O-CA 3.4Å; V159-L246 HydrophobicContact CG2-CB 3.88Å; V159-L246 HydrophobicContact CG2-CD1 4.04Å; V159-L246 HydrophobicContact CG2-CG 3.9Å; I198-L246 HydrophobicContact CD1-CD1 4.49Å; I198-L246 HydrophobicContact CG2-CD1 3.71Å; I198-L246 HydrophobicContact CG2-CG 3.98Å; V200-L246 HydrophobicContact CG2-CD1 4.46Å; V200-L246 HydrophobicContact CG2-CD2 4.17Å; F222-L246 HydrophobicContact CE2-CD1 3.88Å; F222-L246 HydrophobicContact CE2-CD2 4.48Å; F222-L246 HydrophobicContact CZ-CD1 3.99Å; F222-L246 HydrophobicContact CZ-CD2 4.24Å; A224-L246 HydrophobicContact CB-CD1 3.89Å; L246-Q256 WeakPolarHBondContact O-CA 2.96Å; L246-Y257 PolarHBondContact O-N 3.41Å; L246-G258 PolarHBondContact N-O 2.94Å; L246-G258 PolarHBondContact O-N 2.86Å; L246-Y276 HydrophobicContact CB-CD1 3.99Å; L246-Y276 HydrophobicContact CB-CE1 4.19Å; L246-Y276 HydrophobicContact CD1-CD1 3.65Å; L246-Y276 HydrophobicContact CD1-CD2 4.23Å; L246-Y276 HydrophobicContact CD1-CE1 3.66Å; L246-Y276 HydrophobicContact CD1-CE2 4.27Å; L246-Y276 HydrophobicContact CD1-CG 3.96Å; L246-Y276 HydrophobicContact CG-CD1 4.49Å |
| 247 | V | 94.7 | Very high | 81.3 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135 | -177 | -57.7 | 0 | 0 | 0 | 0 | 111 | W33 V142 C157 Y158 A245 F254 I255 Q256 | W33-V247 HydrophobicContact CZ2-CG2 4.43Å; V142-V247 HydrophobicContact CG2-CG1 3.76Å; C157-V247 CarbonylContact C-O 3.5Å; C157-V247 WeakPolarHBondContact CA-O 3.12Å; Y158-V247 PolarHBondContact N-O 3.18Å; Y158-V247 PolarHBondContact O-N 3.04Å; A245-V247 HydrophobicContact CB-CG1 3.84Å; V247-F254 HydrophobicContact CB-CB 4.4Å; V247-F254 HydrophobicContact CB-CD1 4.36Å; V247-F254 HydrophobicContact CG2-CD1 3.93Å; V247-I255 CarbonylContact C-O 3.54Å; V247-I255 WeakPolarHBondContact CA-O 3.47Å; V247-Q256 HydrophobicContact CG1-CB 4.35Å |
| 248 | C | 94.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.3 | 176.3 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | P152 K155 K156 C157 E250 I255 Y257 | P152-C248 HydrophobicContact CB-CB 4.42Å; P152-C248 VanDerWaalsContact CG-SG 3.51Å; K155-C248 HydrophobicContact CB-CB 4.4Å; K156-C248 WeakPolarHBondContact O-CA 3.36Å; C157-C248 HydrophobicContact CB-CB 4.06Å; C157-C248 WeakPolarHBondContact CB-SG 3.45Å; C157-C248 WeakPolarHBondContact SG-CB 3.19Å; C157-C248 CovalentContact SG-SG 2.04Å; C157-C248 PolarHBondContact SG-SG 2.9Å; C248-E250 PolarHBondContact O-N 2.87Å; C248-I255 PolarHBondContact N-O 2.8Å; C248-I255 PolarHBondContact O-N 3.5Å; C248-Y257 HydrophobicContact CB-CD2 3.75Å; C248-Y257 HydrophobicContact CB-CE2 4.05Å |
| 249 | H | 90.6 | Very high | 85.8 | Confident | 82 Ų | 82 | 32.4 Ų | 32.4 | 38% | 0.38 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 109.2 | 179.3 | -176.6 | -99.9 | 0 | 0 | 0 | 111.1 | K156 R253 F254 | K156-H249 PolarHBondContact O-N 3.28Å; H249-R253 CarbonylContact C-O 3.41Å; H249-R253 WeakPolarHBondContact CA-O 3.34Å; H249-F254 HydrophobicContact CB-CD1 4.17Å; H249-F254 HydrophobicContact CB-CE1 3.76Å; H249-F254 HydrophobicContact CB-CZ 4.18Å; H249-F254 AromaticContact CD2-CE2 3.77Å; H249-F254 AromaticContact CD2-CZ 3.7Å |
| 250 | E | 89.1 | Confident | 87.9 | Confident | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.056 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139 | 180 | -63.1 | -151.8 | -116.2 | 0 | 0 | 111.5 | K155 C248 G252 R253 I255 Y257 | K155-E250 HydrophobicContact CD-CG 4.15Å; K155-E250 WeakPolarHBondContact CE-OE2 3.1Å; K155-E250 HydrophobicContact CG-CG 4.44Å; K155-E250 IonicContact NZ-OE2 2.74Å; K155-E250 PolarHBondContact NZ-OE2 2.87Å; C248-E250 PolarHBondContact O-N 2.87Å; E250-G252 PolarHBondContact O-N 3.3Å; E250-R253 PolarHBondContact N-O 3.02Å; E250-R253 PolarHBondContact O-N 3.48Å; E250-I255 HydrophobicContact CB-CD1 4.02Å; E250-Y257 VanDerWaalsContact OE1-CE2 3.25Å; E250-Y257 WeakPolarHBondContact OE1-CE2 3.17Å; E250-Y257 VanDerWaalsContact OE1-CZ 3.26Å; E250-Y257 PolarHBondContact OE1-OH 3.3Å |
| 251 | W | 85.4 | Confident | 89.3 | Confident | 220 Ų | 220 | 26.4 Ų | 26.4 | 83% | 0.833 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 33.8 | 179.6 | -48.1 | -59.9 | 0 | 0 | 0 | 114.6 | I255 | W251-I255 HydrophobicContact CE3-CD1 3.97Å; W251-I255 HydrophobicContact CZ3-CD1 3.9Å |
| 252 | G | 85.7 | Confident | 89.1 | Confident | 40 Ų | 40 | 26.5 Ų | 26.5 | 41% | 0.412 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 12.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L8 E250 | L8-G252 WeakPolarHBondContact CD2-O 3.4Å; E250-G252 PolarHBondContact O-N 3.3Å |
| 253 | R | 91.6 | Very high | 87.7 | Confident | 103 Ų | 103 | 26.1 Ų | 26.1 | 39% | 0.389 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 154.8 | 179.6 | -55.3 | -169.4 | 179.5 | 178.7 | 0.7 | 111.7 | G7 L8 H249 E250 | G7-R253 CarbonylContact O-C 3.57Å; G7-R253 WeakPolarHBondContact O-CA 3.35Å; L8-R253 HydrophobicContact CD1-CG 4.03Å; L8-R253 HydrophobicContact CG-CG 4.06Å; H249-R253 CarbonylContact C-O 3.41Å; H249-R253 WeakPolarHBondContact CA-O 3.34Å; E250-R253 PolarHBondContact N-O 3.02Å; E250-R253 PolarHBondContact O-N 3.48Å |
| 254 | F | 94.4 | Very high | 85.4 | Confident | 17 Ų | 17 | 27.9 Ų | 27.9 | 8% | 0.075 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 117.9 | 168.8 | -69.2 | -83.7 | 0 | 0 | 0 | 110.5 | G7 P9 L13 W33 V142 C143 Y158 V247 H249 | G7-F254 VanDerWaalsContact CA-O 3.3Å; G7-F254 WeakPolarHBondContact CA-O 3.5Å; G7-F254 WeakPolarHBondContact O-CD2 3.44Å; G7-F254 PolarHBondContact O-N 3.06Å; P9-F254 HydrophobicContact CG-CD2 4.36Å; P9-F254 HydrophobicContact CG-CE2 4.21Å; L13-F254 HydrophobicContact CD1-CE1 3.63Å; L13-F254 HydrophobicContact CD1-CE2 4.34Å; L13-F254 HydrophobicContact CD1-CZ 3.36Å; L13-F254 HydrophobicContact CG-CZ 3.96Å; W33-F254 HydrophobicContact CH2-CB 3.6Å; W33-F254 AromaticContact CH2-CD2 3.54Å; W33-F254 HydrophobicContact CH2-CD2 3.54Å; W33-F254 HydrophobicContact CH2-CE2 4.4Å; W33-F254 AromaticContact CH2-CG 3.62Å; W33-F254 HydrophobicContact CH2-CG 3.62Å; W33-F254 HydrophobicContact CZ2-CB 3.83Å; W33-F254 HydrophobicContact CZ2-CD1 4.46Å; W33-F254 HydrophobicContact CZ2-CD2 4.23Å; W33-F254 AromaticContact CZ2-CG 3.91Å; W33-F254 HydrophobicContact CZ2-CG 3.91Å; W33-F254 HydrophobicContact CZ3-CB 4.25Å; W33-F254 HydrophobicContact CZ3-CD2 4.42Å; V142-F254 HydrophobicContact CG2-CB 4.5Å; V142-F254 WeakPolarHBondContact CG2-O 3.33Å; C143-F254 PolarHBondContact N-O 3.46Å; Y158-F254 HydrophobicContact CD2-CE1 4.11Å; Y158-F254 HydrophobicContact CE2-CE1 4.1Å; V247-F254 HydrophobicContact CB-CB 4.4Å; V247-F254 HydrophobicContact CB-CD1 4.36Å; V247-F254 HydrophobicContact CG2-CD1 3.93Å; H249-F254 HydrophobicContact CB-CD1 4.17Å; H249-F254 HydrophobicContact CB-CE1 3.76Å; H249-F254 HydrophobicContact CB-CZ 4.18Å; H249-F254 AromaticContact CD2-CE2 3.77Å; H249-F254 AromaticContact CD2-CZ 3.7Å |
| 255 | I | 96.4 | Very high | 82.6 | Confident | 15 Ų | 15 | 32.6 Ų | 32.6 | 8% | 0.077 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.6 | 177.1 | -52.6 | -178.3 | 0 | 0 | 0 | 107.7 | C143 P145 V247 C248 E250 W251 Y257 | C143-I255 HydrophobicContact CB-CG1 4.21Å; C143-I255 WeakPolarHBondContact O-CA 3.31Å; P145-I255 HydrophobicContact CB-CG2 3.79Å; V247-I255 CarbonylContact C-O 3.54Å; V247-I255 WeakPolarHBondContact CA-O 3.47Å; C248-I255 PolarHBondContact N-O 2.8Å; C248-I255 PolarHBondContact O-N 3.5Å; E250-I255 HydrophobicContact CB-CD1 4.02Å; W251-I255 HydrophobicContact CE3-CD1 3.97Å; W251-I255 HydrophobicContact CZ3-CD1 3.9Å; I255-Y257 HydrophobicContact CB-CD2 4.28Å; I255-Y257 HydrophobicContact CB-CE2 4Å; I255-Y257 HydrophobicContact CG2-CD2 4.16Å; I255-Y257 HydrophobicContact CG2-CE2 3.93Å; I255-Y257 PolarHBondContact O-N 2.81Å |
| 256 | Q | 96.6 | Very high | 79.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 122.8 | 173.6 | -172.4 | 173.9 | -5.2 | 0 | 0 | 109.5 | S54 V142 C143 P145 A245 L246 V247 G258 L279 | S54-Q256 PolarHBondContact OG-OE1 3.42Å; V142-Q256 HydrophobicContact CG1-CB 3.89Å; V142-Q256 HydrophobicContact CG2-CB 3.93Å; C143-Q256 PolarHBondContact O-N 3.16Å; P145-Q256 WeakPolarHBondContact CD-O 3.48Å; P145-Q256 WeakPolarHBondContact CG-O 3.47Å; A245-Q256 HydrophobicContact CB-CG 4Å; L246-Q256 WeakPolarHBondContact O-CA 2.96Å; V247-Q256 HydrophobicContact CG1-CB 4.35Å; Q256-G258 VanDerWaalsContact CG-O 3.28Å; Q256-G258 WeakPolarHBondContact CG-O 3.43Å; Q256-G258 PolarHBondContact NE2-O 3.06Å; Q256-L279 HydrophobicContact CB-CD2 3.9Å; Q256-L279 HydrophobicContact CG-CD2 3.69Å |
| 257 | Y | 96.4 | Very high | 76.4 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 4% | 0.043 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -23.8 | 174.9 | -84.5 | -87.3 | 0 | 0 | 0 | 112.7 | P145 A149 R150 P152 F222 L246 C248 E250 I255 F278 L279 P280 | P145-Y257 HydrophobicContact CB-CD1 4.39Å; P145-Y257 HydrophobicContact CB-CE1 4.29Å; A149-Y257 HydrophobicContact CB-CE1 3.83Å; R150-Y257 WeakPolarHBondContact O-CE1 3.21Å; P152-Y257 HydrophobicContact CB-CD1 4.41Å; P152-Y257 HydrophobicContact CB-CD2 4.15Å; P152-Y257 HydrophobicContact CB-CE1 4.27Å; P152-Y257 HydrophobicContact CB-CE2 3.99Å; P152-Y257 HydrophobicContact CB-CG 4.32Å; P152-Y257 HydrophobicContact CG-CD1 3.83Å; P152-Y257 HydrophobicContact CG-CD2 3.83Å; P152-Y257 HydrophobicContact CG-CE1 4.18Å; P152-Y257 HydrophobicContact CG-CE2 4.16Å; P152-Y257 HydrophobicContact CG-CG 3.61Å; F222-Y257 WeakPolarHBondContact CE1-O 3.5Å; L246-Y257 PolarHBondContact O-N 3.41Å; C248-Y257 HydrophobicContact CB-CD2 3.75Å; C248-Y257 HydrophobicContact CB-CE2 4.05Å; E250-Y257 VanDerWaalsContact OE1-CE2 3.25Å; E250-Y257 WeakPolarHBondContact OE1-CE2 3.17Å; E250-Y257 VanDerWaalsContact OE1-CZ 3.26Å; E250-Y257 PolarHBondContact OE1-OH 3.3Å; I255-Y257 HydrophobicContact CB-CD2 4.28Å; I255-Y257 HydrophobicContact CB-CE2 4Å; I255-Y257 HydrophobicContact CG2-CD2 4.16Å; I255-Y257 HydrophobicContact CG2-CE2 3.93Å; I255-Y257 PolarHBondContact O-N 2.81Å; Y257-F278 HydrophobicContact CD1-CE2 4.37Å; Y257-L279 WeakPolarHBondContact O-CB 3.4Å; Y257-L279 PolarHBondContact O-N 3.23Å; Y257-P280 HydrophobicContact CD1-CG 4.17Å |
| 258 | G | 93.9 | Very high | 73.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 159.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L246 Q256 T277 | L246-G258 PolarHBondContact N-O 2.94Å; L246-G258 PolarHBondContact O-N 2.86Å; Q256-G258 VanDerWaalsContact CG-O 3.28Å; Q256-G258 WeakPolarHBondContact CG-O 3.43Å; Q256-G258 PolarHBondContact NE2-O 3.06Å; G258-T277 VanDerWaalsContact CA-O 3.31Å; G258-T277 WeakPolarHBondContact CA-O 3.07Å |
| 259 | I | 93 | Very high | 70.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.9 | 163.1 | -54.2 | 171.5 | 0 | 0 | 0 | 106.1 | L68 A70 I124 G244 S261 Y276 T277 L279 | L68-I259 HydrophobicContact CD1-CD1 3.8Å; L68-I259 HydrophobicContact CD2-CD1 4.1Å; L68-I259 HydrophobicContact CD2-CG1 4.29Å; L68-I259 HydrophobicContact CG-CD1 3.83Å; L68-I259 HydrophobicContact CG-CG1 4.32Å; A70-I259 HydrophobicContact CB-CG2 4.04Å; I124-I259 HydrophobicContact CB-CD1 4.2Å; I124-I259 HydrophobicContact CD1-CD1 4.01Å; I124-I259 HydrophobicContact CG1-CD1 3.67Å; G244-I259 CarbonylContact O-C 3.51Å; G244-I259 WeakPolarHBondContact O-CA 3.49Å; I259-S261 PolarHBondContact O-N 2.94Å; I259-S261 VanDerWaalsContact O-N 3.13Å; I259-Y276 VanDerWaalsContact O-CA 3.27Å; I259-Y276 WeakPolarHBondContact O-CA 3.46Å; I259-T277 PolarHBondContact N-O 3.16Å; I259-T277 PolarHBondContact O-N 3.3Å; I259-L279 HydrophobicContact CD1-CD1 4.38Å |
| 260 | V | 88.4 | Confident | 67.7 | Low | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 113.1 | 174.4 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | V159 A237 D241 G243 G244 Y276 | V159-V260 HydrophobicContact CG1-CG2 3.64Å; A237-V260 HydrophobicContact CB-CG1 3.93Å; D241-V260 HydrophobicContact CB-CG1 4.27Å; D241-V260 WeakPolarHBondContact O-CB 3.31Å; D241-V260 WeakPolarHBondContact O-CG1 3.36Å; G243-V260 PolarHBondContact N-O 3.12Å; G244-V260 WeakPolarHBondContact O-CG2 3.28Å; G244-V260 PolarHBondContact O-N 3.16Å; V260-Y276 HydrophobicContact CB-CE1 4.41Å; V260-Y276 HydrophobicContact CG2-CD1 4.39Å; V260-Y276 HydrophobicContact CG2-CE1 3.83Å |
| 261 | S | 80.6 | Confident | 65.5 | Low | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | trans | -104.3 | -123.3 | 179.4 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | D123 I259 K275 | D123-S261 WeakPolarHBondContact OD2-CA 3.49Å; D123-S261 VanDerWaalsContact OD2-CB 3.24Å; D123-S261 WeakPolarHBondContact OD2-CB 3.48Å; D123-S261 PolarHBondContact OD2-OG 2.92Å; I259-S261 PolarHBondContact O-N 2.94Å; I259-S261 VanDerWaalsContact O-N 3.13Å; S261-K275 WeakPolarHBondContact CB-O 3.23Å; S261-K275 PolarHBondContact N-O 3.08Å | ||
| 262 | F | 62 | Low | 63.8 | Low | 29 Ų | 29 | 49.3 Ų | 49.3 | 13% | 0.127 | 28% | 0.276 | C | S | . | . | trans | -91.5 | 145.1 | -177.9 | -68.8 | -85.5 | 0 | 0 | 0 | 114 | H72 Y115 D118 F119 K275 | H72-F262 HydrophobicContact CB-CE2 4.17Å; H72-F262 HydrophobicContact CB-CZ 3.7Å; H72-F262 AromaticContact CG-CZ 3.82Å; H72-F262 AromaticContact ND1-CE2 3.89Å; H72-F262 AromaticContact ND1-CZ 3.97Å; Y115-F262 HydrophobicContact CE2-CE2 4.29Å; Y115-F262 VanDerWaalsContact OH-CZ 3.26Å; Y115-F262 WeakPolarHBondContact OH-CZ 3.46Å; D118-F262 HydrophobicContact CB-CE1 4.32Å; D118-F262 HydrophobicContact CB-CZ 4.17Å; F119-F262 HydrophobicContact CD1-CB 3.56Å; F119-F262 AromaticContact CD1-CD1 3.8Å; F119-F262 HydrophobicContact CD1-CD1 3.8Å; F119-F262 AromaticContact CD1-CD2 3.99Å; F119-F262 HydrophobicContact CD1-CD2 3.99Å; F119-F262 AromaticContact CD1-CG 3.48Å; F119-F262 HydrophobicContact CD1-CG 3.48Å; F119-F262 VanDerWaalsContact CD1-CG 3.48Å; F119-F262 HydrophobicContact CE1-CB 3.72Å; F119-F262 AromaticContact CE1-CD1 3.61Å; F119-F262 HydrophobicContact CE1-CD1 3.61Å; F119-F262 HydrophobicContact CE1-CE1 4.43Å; F119-F262 AromaticContact CE1-CG 3.73Å; F119-F262 HydrophobicContact CE1-CG 3.73Å; F119-F262 HydrophobicContact CG-CG 4.37Å; F119-F262 HydrophobicContact CZ-CD1 4.29Å; F119-F262 VanDerWaalsContact N-CE2 3.31Å; F262-K275 VanDerWaalsContact O-CB 3.25Å; F262-K275 WeakPolarHBondContact O-CB 3.22Å; F262-K275 WeakPolarHBondContact O-CG 3.45Å; F262-K275 PolarHBondContact O-N 3.23Å | ||
| 263 | G | 49.5 | Very low | 62.4 | Low | 14 Ų | 14 | 47.6 Ų | 47.6 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | trans | -111.8 | 165.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A265 | G263-A265 PolarHBondContact O-N 3.25Š| ||
| 264 | P | 35.7 | Very low | 61.3 | Low | 37 Ų | 37 | 42.7 Ų | 42.7 | 24% | 0.24 | 24% | 0.24 | C | C | . | . | trans | -62.3 | 118 | 178.4 | 26.4 | -36.4 | 0 | 0 | 0 | 112.3 | G266 T272 | P264-G266 PolarHBondContact O-N 3.36Å; P264-T272 WeakPolarHBondContact CB-OG1 3.39Å; P264-T272 VanDerWaalsContact CG-OG1 3.28Å; P264-T272 WeakPolarHBondContact CG-OG1 3.26Å | ||
| 265 | A | 30.2 | Very low | 60.6 | Low | 99 Ų | 99 | 43 Ų | 43 | 82% | 0.818 | 24% | 0.242 | S | C | * | . | trans | -89.8 | 70.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G263 | G263-A265 PolarHBondContact O-N 3.25Š| ||
| 266 | G | 28.6 | Very low | 60.3 | Low | 39 Ų | 39 | 42.6 Ų | 42.6 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -172.1 | 146.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P264 | P264-G266 PolarHBondContact O-N 3.36Š|
| 267 | I | 27.1 | Very low | 60.1 | Low | 92 Ų | 92 | 42.6 Ų | 42.6 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -88.9 | 100.4 | 167.2 | -60.9 | 172.4 | 0 | 0 | 0 | 106.4 | L170 L171 | L170-I267 HydrophobicContact CD2-CD1 4.42Å; L170-I267 HydrophobicContact CG-CD1 4.46Å; L171-I267 HydrophobicContact CD2-CD1 4.43Å; L171-I267 HydrophobicContact CD2-CG2 3.67Å |
| 268 | G | 29.6 | Very low | 60.1 | Low | 54 Ų | 54 | 42.9 Ų | 42.9 | 56% | 0.557 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 164.3 | -32.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y270 | G268-Y270 PolarHBondContact O-N 2.93Š|
| 269 | Y | 32.7 | Very low | 60.2 | Low | 136 Ų | 136 | 42.9 Ų | 42.9 | 53% | 0.533 | 24% | 0.24 | S | C | . | . | trans | -96.3 | 87.2 | -176.1 | -67.6 | -88.7 | 0 | 0 | 0 | 112.2 | D211 Q271 T272 | D211-Y269 HydrophobicContact CB-CE1 4.31Å; D211-Y269 WeakPolarHBondContact OD2-CE1 3.31Å; D211-Y269 PolarHBondContact OD2-OH 3.38Å; Y269-Q271 PolarHBondContact O-N 3.36Å; Y269-T272 WeakPolarHBondContact CB-OG1 3.46Å; Y269-T272 HydrophobicContact CD1-CG2 3.83Å; Y269-T272 HydrophobicContact CG-CG2 4.16Å | ||
| 270 | Y | 35.4 | Very low | 60.3 | Low | 195 Ų | 195 | 43 Ų | 43 | 77% | 0.765 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -73 | 4.9 | 174.2 | -76.4 | -81.1 | 0 | 0 | 0 | 114.4 | G268 | G268-Y270 PolarHBondContact O-N 2.93Š|
| 271 | Q | 41.8 | Very low | 60.7 | Low | 134 Ų | 134 | 47.4 Ų | 47.4 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -129.6 | -16.5 | -167.7 | -62.1 | -177.4 | 0.4 | 0 | 0 | 115 | L209 Y269 A273 | L209-Q271 WeakPolarHBondContact CB-O 3.29Å; L209-Q271 WeakPolarHBondContact CD2-O 3.43Å; Y269-Q271 PolarHBondContact O-N 3.36Å; Q271-A273 PolarHBondContact O-N 2.66Å |
| 272 | T | 49.3 | Very low | 61.4 | Low | 18 Ų | 18 | 48.1 Ų | 48.1 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 116.8 | -172.7 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | L209 D211 V234 P264 Y269 | L209-T272 VanDerWaalsContact O-CA 3.24Å; L209-T272 WeakPolarHBondContact O-CA 3.48Å; D211-T272 HydrophobicContact CB-CG2 4.29Å; V234-T272 VanDerWaalsContact CG1-O 3.28Å; V234-T272 WeakPolarHBondContact CG1-O 3.34Å; V234-T272 WeakPolarHBondContact CG2-O 3.37Å; P264-T272 WeakPolarHBondContact CB-OG1 3.39Å; P264-T272 VanDerWaalsContact CG-OG1 3.28Å; P264-T272 WeakPolarHBondContact CG-OG1 3.26Å; Y269-T272 WeakPolarHBondContact CB-OG1 3.46Å; Y269-T272 HydrophobicContact CD1-CG2 3.83Å; Y269-T272 HydrophobicContact CG-CG2 4.16Å |
| 273 | A | 56.3 | Low | 63 | Low | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 154 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I201 L209 C223 V234 Q271 | I201-A273 HydrophobicContact CD1-CB 4.27Å; L209-A273 HydrophobicContact CB-CB 4Å; L209-A273 HydrophobicContact CD1-CB 4.27Å; C223-A273 HydrophobicContact CB-CB 3.72Å; C223-A273 WeakPolarHBondContact SG-CB 3.25Å; V234-A273 VanDerWaalsContact CG1-C 3.48Å; V234-A273 VanDerWaalsContact CG1-CA 3.5Å; V234-A273 HydrophobicContact CG2-CB 4.33Å; Q271-A273 PolarHBondContact O-N 2.66Å |
| 274 | G | 69.7 | Low | 65.2 | Low | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 128.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | C223 A224 Y276 | C223-G274 WeakPolarHBondContact CA-O 3.39Å; A224-G274 PolarHBondContact N-O 2.91Å; G274-Y276 WeakPolarHBondContact O-CD2 3.35Å; G274-Y276 VanDerWaalsContact O-CE2 3.3Å; G274-Y276 WeakPolarHBondContact O-CE2 3.21Å |
| 275 | K | 80.5 | Confident | 68.1 | Low | 23 Ų | 23 | 48.3 Ų | 48.3 | 10% | 0.1 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 134.4 | -176 | -48.4 | -167.9 | 176.5 | -176.7 | 0 | 110.4 | S214 E215 F216 S261 F262 | S214-K275 PolarHBondContact OG-NZ 3.16Å; E215-K275 PolarHBondContact O-NZ 2.87Å; F216-K275 HydrophobicContact CD2-CD 3.9Å; F216-K275 HydrophobicContact CD2-CG 4.29Å; F216-K275 HydrophobicContact CE2-CB 4.26Å; F216-K275 HydrophobicContact CE2-CD 3.98Å; F216-K275 HydrophobicContact CE2-CG 3.89Å; S261-K275 WeakPolarHBondContact CB-O 3.23Å; S261-K275 PolarHBondContact N-O 3.08Å; F262-K275 VanDerWaalsContact O-CB 3.25Å; F262-K275 WeakPolarHBondContact O-CB 3.22Å; F262-K275 WeakPolarHBondContact O-CG 3.45Å; F262-K275 PolarHBondContact O-N 3.23Å |
| 276 | Y | 89 | Confident | 71.3 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 136.2 | 177.7 | -64 | -92.8 | 0 | 0 | 0 | 110.2 | V159 I198 Q221 F222 A224 L246 I259 V260 G274 F278 | V159-Y276 HydrophobicContact CG2-CE1 3.85Å; I198-Y276 HydrophobicContact CD1-CE2 4.05Å; I198-Y276 WeakPolarHBondContact CD1-OH 3.14Å; Q221-Y276 CarbonylContact C-O 3.54Å; Q221-Y276 VanDerWaalsContact CA-O 3.25Å; Q221-Y276 WeakPolarHBondContact CA-O 3.38Å; F222-Y276 WeakPolarHBondContact CD1-O 3.47Å; F222-Y276 VanDerWaalsContact CE1-CB 3.46Å; F222-Y276 HydrophobicContact CE2-CD2 4.32Å; F222-Y276 HydrophobicContact CE2-CG 4.16Å; F222-Y276 VanDerWaalsContact CZ-CB 3.49Å; F222-Y276 HydrophobicContact CZ-CG 4.08Å; F222-Y276 PolarHBondContact N-O 3.16Å; F222-Y276 PolarHBondContact O-N 2.88Å; A224-Y276 HydrophobicContact CB-CD2 3.89Å; A224-Y276 HydrophobicContact CB-CE2 3.6Å; L246-Y276 HydrophobicContact CB-CD1 3.99Å; L246-Y276 HydrophobicContact CB-CE1 4.19Å; L246-Y276 HydrophobicContact CD1-CD1 3.65Å; L246-Y276 HydrophobicContact CD1-CD2 4.23Å; L246-Y276 HydrophobicContact CD1-CE1 3.66Å; L246-Y276 HydrophobicContact CD1-CE2 4.27Å; L246-Y276 HydrophobicContact CD1-CG 3.96Å; L246-Y276 HydrophobicContact CG-CD1 4.49Å; I259-Y276 VanDerWaalsContact O-CA 3.27Å; I259-Y276 WeakPolarHBondContact O-CA 3.46Å; V260-Y276 HydrophobicContact CB-CE1 4.41Å; V260-Y276 HydrophobicContact CG2-CD1 4.39Å; V260-Y276 HydrophobicContact CG2-CE1 3.83Å; G274-Y276 WeakPolarHBondContact O-CD2 3.35Å; G274-Y276 VanDerWaalsContact O-CE2 3.3Å; G274-Y276 WeakPolarHBondContact O-CE2 3.21Å; Y276-F278 PolarHBondContact O-N 3.03Å |
| 277 | T | 93.2 | Very high | 74.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 123.1 | 172.8 | -51.4 | 0 | 0 | 0 | 0 | 109.3 | D123 I124 G258 I259 L279 F282 | D123-T277 WeakPolarHBondContact O-CB 3.45Å; D123-T277 PolarHBondContact O-OG1 3.06Å; I124-T277 HydrophobicContact CB-CG2 4.44Å; G258-T277 VanDerWaalsContact CA-O 3.31Å; G258-T277 WeakPolarHBondContact CA-O 3.07Å; I259-T277 PolarHBondContact N-O 3.16Å; I259-T277 PolarHBondContact O-N 3.3Å; T277-L279 PolarHBondContact O-N 3.25Å; T277-L279 VanDerWaalsContact O-N 3.11Å; T277-F282 HydrophobicContact CG2-CD2 3.86Å; T277-F282 HydrophobicContact CG2-CE2 3.38Å; T277-F282 HydrophobicContact CG2-CZ 3.99Å |
| 278 | F | 95.5 | Very high | 77.8 | Confident | 17 Ų | 17 | 46.2 Ų | 46.2 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 94.1 | -176.1 | -170.5 | -129.5 | 0 | 0 | 0 | 111.2 | A149 L151 K220 F222 Y257 Y276 P280 K281 F282 | A149-F278 WeakPolarHBondContact O-CZ 3.43Å; L151-F278 HydrophobicContact CD1-CD2 4.13Å; L151-F278 HydrophobicContact CD1-CE2 3.94Å; K220-F278 WeakPolarHBondContact O-CB 3.41Å; K220-F278 PolarHBondContact O-N 2.9Å; F222-F278 HydrophobicContact CD1-CB 3.82Å; F222-F278 AromaticContact CD1-CD2 3.69Å; F222-F278 HydrophobicContact CD1-CD2 3.69Å; F222-F278 HydrophobicContact CD1-CG 4.17Å; F222-F278 HydrophobicContact CE1-CB 4.39Å; F222-F278 AromaticContact CE1-CD2 3.98Å; F222-F278 HydrophobicContact CE1-CD2 3.98Å; F222-F278 HydrophobicContact CG-CD2 4.46Å; Y257-F278 HydrophobicContact CD1-CE2 4.37Å; Y276-F278 PolarHBondContact O-N 3.03Å; F278-P280 HydrophobicContact CD2-CG 4.24Å; F278-P280 HydrophobicContact CE1-CB 4.05Å; F278-P280 HydrophobicContact CE1-CG 4.03Å; F278-P280 HydrophobicContact CE2-CG 3.73Å; F278-P280 HydrophobicContact CZ-CB 4.09Å; F278-P280 HydrophobicContact CZ-CG 3.61Å; F278-K281 HydrophobicContact CD1-CG 4Å; F278-K281 PolarHBondContact O-N 2.82Å; F278-F282 WeakPolarHBondContact O-CD2 3.4Å |
| 279 | L | 96.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -55.5 | -37 | -169 | -171.3 | 54.8 | 0 | 0 | 0 | 115.7 | L68 I124 L144 P145 Q256 Y257 I259 T277 K281 F282 V283 I286 | L68-L279 HydrophobicContact CD1-CD1 4.41Å; L68-L279 HydrophobicContact CD2-CD1 3.65Å; L68-L279 HydrophobicContact CD2-CD2 3.55Å; L68-L279 HydrophobicContact CD2-CG 4.28Å; I124-L279 HydrophobicContact CD1-CD1 4.08Å; L144-L279 HydrophobicContact CD2-CD2 3.84Å; P145-L279 HydrophobicContact CG-CB 4.27Å; P145-L279 HydrophobicContact CG-CD2 4.44Å; P145-L279 HydrophobicContact CG-CG 4.17Å; Q256-L279 HydrophobicContact CB-CD2 3.9Å; Q256-L279 HydrophobicContact CG-CD2 3.69Å; Y257-L279 WeakPolarHBondContact O-CB 3.4Å; Y257-L279 PolarHBondContact O-N 3.23Å; I259-L279 HydrophobicContact CD1-CD1 4.38Å; T277-L279 PolarHBondContact O-N 3.25Å; T277-L279 VanDerWaalsContact O-N 3.11Å; L279-K281 VanDerWaalsContact C-N 3.25Å; L279-K281 PolarHBondContact O-N 3.48Å; L279-K281 VanDerWaalsContact O-N 3.12Å; L279-F282 PolarHBondContact O-N 3.31Å; L279-V283 PolarHBondContact O-N 3.15Å; L279-I286 HydrophobicContact CD1-CD1 3.73Å |
| 280 | P | 96.1 | Very high | 83.9 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.013 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -50.2 | -38.1 | 180 | -32.4 | 38.6 | 0 | 0 | 0 | 115.3 | P145 A149 Y257 F278 F282 | P145-P280 HydrophobicContact CB-CG 3.95Å; P145-P280 HydrophobicContact CG-CB 4.36Å; P145-P280 HydrophobicContact CG-CG 3.71Å; A149-P280 HydrophobicContact CB-CB 4.42Å; A149-P280 HydrophobicContact CB-CG 4.1Å; Y257-P280 HydrophobicContact CD1-CG 4.17Å; F278-P280 HydrophobicContact CD2-CG 4.24Å; F278-P280 HydrophobicContact CE1-CB 4.05Å; F278-P280 HydrophobicContact CE1-CG 4.03Å; F278-P280 HydrophobicContact CE2-CG 3.73Å; F278-P280 HydrophobicContact CZ-CB 4.09Å; F278-P280 HydrophobicContact CZ-CG 3.61Å; P280-F282 VanDerWaalsContact C-N 3.27Å; P280-F282 PolarHBondContact O-N 2.88Å |
| 281 | K | 95.2 | Very high | 86.7 | Confident | 95 Ų | 95 | 39.6 Ų | 39.6 | 41% | 0.413 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -68.8 | -25.8 | 178.9 | -59.2 | -61.4 | 177.2 | 157.3 | 0 | 113.4 | E219 F278 L279 | E219-K281 VanDerWaalsContact O-CE 3.28Å; E219-K281 WeakPolarHBondContact O-CE 3.49Å; E219-K281 WeakPolarHBondContact O-CG 3.37Å; E219-K281 IonicContact OE1-NZ 3.73Å; E219-K281 WeakPolarHBondContact OE2-CE 3.17Å; E219-K281 IonicContact OE2-NZ 2.59Å; E219-K281 PolarHBondContact OE2-NZ 3.2Å; F278-K281 HydrophobicContact CD1-CG 4Å; F278-K281 PolarHBondContact O-N 2.82Å; L279-K281 VanDerWaalsContact C-N 3.25Å; L279-K281 PolarHBondContact O-N 3.48Å; L279-K281 VanDerWaalsContact O-N 3.12Å |
| 282 | F | 96.4 | Very high | 89.2 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 7% | 0.066 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -10.4 | -175.2 | -62 | -84.2 | 0 | 0 | 0 | 113.7 | I124 K220 T277 F278 L279 P280 G284 W285 I286 | I124-F282 HydrophobicContact CD1-CB 3.46Å; I124-F282 VanDerWaalsContact CD1-CB 3.46Å; I124-F282 HydrophobicContact CD1-CD1 4.31Å; I124-F282 HydrophobicContact CD1-CD2 4.47Å; I124-F282 HydrophobicContact CD1-CG 3.85Å; I124-F282 HydrophobicContact CG2-CD1 3.7Å; I124-F282 HydrophobicContact CG2-CE1 3.89Å; I124-F282 HydrophobicContact CG2-CG 4.22Å; K220-F282 HydrophobicContact CB-CE2 4.1Å; K220-F282 HydrophobicContact CB-CZ 4.03Å; K220-F282 HydrophobicContact CD-CZ 3.98Å; K220-F282 HydrophobicContact CG-CE2 4.38Å; K220-F282 HydrophobicContact CG-CZ 4.06Å; T277-F282 HydrophobicContact CG2-CD2 3.86Å; T277-F282 HydrophobicContact CG2-CE2 3.38Å; T277-F282 HydrophobicContact CG2-CZ 3.99Å; F278-F282 WeakPolarHBondContact O-CD2 3.4Å; L279-F282 PolarHBondContact O-N 3.31Å; P280-F282 VanDerWaalsContact C-N 3.27Å; P280-F282 PolarHBondContact O-N 2.88Å; F282-G284 VanDerWaalsContact C-N 3.26Å; F282-G284 PolarHBondContact O-N 3.06Å; F282-W285 CarbonylContact O-C 3.3Å; F282-W285 WeakPolarHBondContact O-CA 3.32Å; F282-W285 WeakPolarHBondContact O-CB 3.49Å; F282-W285 PolarHBondContact O-N 2.78Å; F282-I286 WeakPolarHBondContact O-CG1 3.33Å; F282-I286 PolarHBondContact O-N 2.83Å |
| 283 | V | 96.1 | Very high | 91.4 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53 | -42.2 | 179.8 | 173.6 | 0 | 0 | 0 | 0 | 112.3 | P145 R147 L279 W285 I286 E287 | P145-V283 HydrophobicContact CG-CG2 4.09Å; R147-V283 HydrophobicContact CG-CB 3.92Å; R147-V283 HydrophobicContact CG-CG1 3.85Å; L279-V283 PolarHBondContact O-N 3.15Å; V283-W285 VanDerWaalsContact C-N 3.32Å; V283-W285 PolarHBondContact O-N 2.6Å; V283-I286 WeakPolarHBondContact O-CB 3.4Å; V283-I286 PolarHBondContact O-N 3.5Å; V283-E287 PolarHBondContact O-N 2.79Å |
| 284 | G | 95.6 | Very high | 93.2 | Very high | 26 Ų | 26 | 44.5 Ų | 44.5 | 27% | 0.268 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69 | -24.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F282 K288 | F282-G284 VanDerWaalsContact C-N 3.26Å; F282-G284 PolarHBondContact O-N 3.06Å; G284-K288 WeakPolarHBondContact O-CB 3.47Å; G284-K288 PolarHBondContact O-N 3.31Å |
| 285 | W | 96.2 | Very high | 94.4 | Very high | 49 Ų | 49 | 49 Ų | 49 | 19% | 0.186 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75.3 | -39.6 | 169.6 | 169 | 92.1 | 0 | 0 | 0 | 110.8 | A111 M112 I124 L126 F282 V283 E287 K288 M289 | A111-W285 HydrophobicContact CB-CZ2 4.35Å; M112-W285 VanDerWaalsContact O-CZ2 3.32Å; M112-W285 WeakPolarHBondContact O-CZ2 3.45Å; I124-W285 HydrophobicContact CB-CZ3 4.5Å; I124-W285 HydrophobicContact CD1-CE3 3.91Å; I124-W285 HydrophobicContact CD1-CZ3 3.67Å; I124-W285 HydrophobicContact CG1-CE3 4.42Å; I124-W285 HydrophobicContact CG1-CH2 4.42Å; I124-W285 HydrophobicContact CG1-CZ3 3.75Å; I124-W285 HydrophobicContact CG2-CE3 4.27Å; I124-W285 HydrophobicContact CG2-CH2 4.3Å; I124-W285 HydrophobicContact CG2-CZ3 4.01Å; L126-W285 HydrophobicContact CD1-CE3 4.42Å; L126-W285 HydrophobicContact CD1-CH2 3.87Å; L126-W285 HydrophobicContact CD1-CZ3 3.69Å; L126-W285 HydrophobicContact CG-CH2 3.86Å; L126-W285 HydrophobicContact CG-CZ3 3.75Å; F282-W285 CarbonylContact O-C 3.3Å; F282-W285 WeakPolarHBondContact O-CA 3.32Å; F282-W285 WeakPolarHBondContact O-CB 3.49Å; F282-W285 PolarHBondContact O-N 2.78Å; V283-W285 VanDerWaalsContact C-N 3.32Å; V283-W285 PolarHBondContact O-N 2.6Å; W285-E287 PolarHBondContact O-N 3.06Å; W285-K288 WeakPolarHBondContact O-CB 3.42Å; W285-K288 PolarHBondContact O-N 3Å; W285-K288 VanDerWaalsContact O-N 3.08Å; W285-M289 HydrophobicContact CD2-CG 3.91Å; W285-M289 HydrophobicContact CG-CG 4.35Å; W285-M289 HydrophobicContact CH2-CG 4.14Å; W285-M289 HydrophobicContact CZ2-CG 3.47Å; W285-M289 VanDerWaalsContact CZ2-CG 3.47Å; W285-M289 HydrophobicContact CZ2-SD 4.32Å; W285-M289 WeakPolarHBondContact O-CG 3.34Å; W285-M289 PolarHBondContact O-N 3.28Å |
| 286 | I | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -50.6 | 176.4 | -62.5 | 172.9 | 0 | 0 | 0 | 110.6 | I56 L58 M66 L68 I124 L126 L144 L279 F282 V283 K288 M289 D290 | I56-I286 HydrophobicContact CD1-CG2 3.97Å; L58-I286 HydrophobicContact CD1-CG2 4.22Å; L58-I286 HydrophobicContact CD2-CG2 4.04Å; L58-I286 HydrophobicContact CG-CG2 4.46Å; M66-I286 HydrophobicContact CE-CG2 4Å; L68-I286 HydrophobicContact CD1-CD1 4.01Å; L68-I286 HydrophobicContact CD2-CD1 4.49Å; I124-I286 HydrophobicContact CD1-CD1 4.21Å; I124-I286 HydrophobicContact CD1-CG1 4.27Å; L126-I286 HydrophobicContact CD1-CB 4.24Å; L126-I286 HydrophobicContact CD1-CG1 4.25Å; L126-I286 HydrophobicContact CD1-CG2 3.95Å; L126-I286 HydrophobicContact CD2-CG1 4.28Å; L126-I286 HydrophobicContact CD2-CG2 4.06Å; L144-I286 HydrophobicContact CD2-CD1 4.43Å; L279-I286 HydrophobicContact CD1-CD1 3.73Å; F282-I286 WeakPolarHBondContact O-CG1 3.33Å; F282-I286 PolarHBondContact O-N 2.83Å; V283-I286 WeakPolarHBondContact O-CB 3.4Å; V283-I286 PolarHBondContact O-N 3.5Å; I286-K288 PolarHBondContact O-N 2.96Å; I286-M289 PolarHBondContact O-N 3.2Å; I286-M289 VanDerWaalsContact O-N 3.16Å; I286-D290 PolarHBondContact O-N 3.14Å |
| 287 | E | 95.9 | Very high | 95.1 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 28% | 0.276 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -28 | 176 | -68.5 | 171.7 | -120.8 | 0 | 0 | 113.9 | L58 R147 V283 W285 K291 | L58-E287 HydrophobicContact CD1-CG 4.32Å; L58-E287 HydrophobicContact CD2-CG 4.01Å; R147-E287 IonicContact CZ-OE1 3.82Å; R147-E287 VanDerWaalsContact CZ-OE1 3.28Å; R147-E287 IonicContact CZ-OE2 3.28Å; R147-E287 IonicContact NE-OE1 2.65Å; R147-E287 PolarHBondContact NE-OE1 2.85Å; R147-E287 IonicContact NH2-OE1 3.86Å; R147-E287 PolarHBondContact NH2-OE1 2.84Å; R147-E287 IonicContact NH2-OE2 3.24Å; R147-E287 PolarHBondContact NH2-OE2 3.38Å; V283-E287 PolarHBondContact O-N 2.79Å; W285-E287 PolarHBondContact O-N 3.06Å; E287-K291 WeakPolarHBondContact O-CG 3.38Å |
| 288 | K | 96.5 | Very high | 95.1 | Very high | 127 Ų | 127 | 59.7 Ų | 59.7 | 55% | 0.552 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -79 | -35.8 | 177 | -174.9 | -173.7 | 177.6 | -177.8 | 0 | 111.6 | G284 W285 I286 | G284-K288 WeakPolarHBondContact O-CB 3.47Å; G284-K288 PolarHBondContact O-N 3.31Å; W285-K288 WeakPolarHBondContact O-CB 3.42Å; W285-K288 PolarHBondContact O-N 3Å; W285-K288 VanDerWaalsContact O-N 3.08Å; I286-K288 PolarHBondContact O-N 2.96Å |
| 289 | M | 95.6 | Very high | 94.9 | Very high | 27 Ų | 27 | 63.4 Ų | 63.4 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -77.1 | -39.5 | 179.1 | -69.1 | -52.1 | 95.8 | 0 | 0 | 112.1 | A111 L126 W285 I286 K291 K292 M293 | A111-M289 HydrophobicContact CB-CB 4.04Å; A111-M289 HydrophobicContact CB-CG 3.95Å; A111-M289 HydrophobicContact CB-SD 4.17Å; L126-M289 HydrophobicContact CD1-CB 3.79Å; L126-M289 HydrophobicContact CD1-CG 4.45Å; W285-M289 HydrophobicContact CD2-CG 3.91Å; W285-M289 HydrophobicContact CG-CG 4.35Å; W285-M289 HydrophobicContact CH2-CG 4.14Å; W285-M289 HydrophobicContact CZ2-CG 3.47Å; W285-M289 VanDerWaalsContact CZ2-CG 3.47Å; W285-M289 HydrophobicContact CZ2-SD 4.32Å; W285-M289 WeakPolarHBondContact O-CG 3.34Å; W285-M289 PolarHBondContact O-N 3.28Å; I286-M289 PolarHBondContact O-N 3.2Å; I286-M289 VanDerWaalsContact O-N 3.16Å; M289-K291 PolarHBondContact O-N 3.46Å; M289-K291 VanDerWaalsContact O-N 3.16Å; M289-K292 HydrophobicContact CE-CD 4.07Å; M289-K292 WeakPolarHBondContact O-CA 3.34Å; M289-K292 PolarHBondContact O-N 3.16Å; M289-M293 HydrophobicContact CB-SD 4.42Å; M289-M293 WeakPolarHBondContact O-CG 3.22Å; M289-M293 PolarHBondContact O-N 2.8Å |
| 290 | D | 94.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 65 Ų | 65 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53.7 | -37.9 | 176.5 | 178 | 59.2 | 0 | 0 | 0 | 112.5 | L58 M66 R128 I286 K292 | L58-D290 HydrophobicContact CD1-CB 3.45Å; L58-D290 VanDerWaalsContact CD1-CB 3.45Å; M66-D290 HydrophobicContact CE-CB 4.21Å; M66-D290 HydrophobicContact SD-CB 4.33Å; R128-D290 IonicContact CZ-OD1 3.57Å; R128-D290 VanDerWaalsContact CZ-OD1 3.24Å; R128-D290 IonicContact NH1-OD1 2.82Å; R128-D290 PolarHBondContact NH1-OD1 3.01Å; R128-D290 PolarHBondContact NH2-O 2.79Å; R128-D290 IonicContact NH2-OD1 2.75Å; R128-D290 PolarHBondContact NH2-OD1 3.4Å; I286-D290 PolarHBondContact O-N 3.14Å; D290-K292 VanDerWaalsContact C-N 3.29Å; D290-K292 PolarHBondContact O-N 2.82Å |
| 291 | K | 94.6 | Very high | 93.8 | Very high | 175 Ų | 175 | 68.7 Ų | 68.7 | 76% | 0.761 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -11.8 | 175.7 | -65.4 | 175.8 | -176.2 | 177.7 | 0 | 115.1 | E287 M289 | E287-K291 WeakPolarHBondContact O-CG 3.38Å; M289-K291 PolarHBondContact O-N 3.46Å; M289-K291 VanDerWaalsContact O-N 3.16Å |
| 292 | K | 95.1 | Very high | 93.1 | Very high | 151 Ų | 151 | 66.3 Ų | 66.3 | 66% | 0.657 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -32.6 | -178.3 | -74.8 | -168.9 | 171.7 | -154.6 | 0 | 113.3 | M289 D290 | M289-K292 HydrophobicContact CE-CD 4.07Å; M289-K292 WeakPolarHBondContact O-CA 3.34Å; M289-K292 PolarHBondContact O-N 3.16Å; D290-K292 VanDerWaalsContact C-N 3.29Å; D290-K292 PolarHBondContact O-N 2.82Å |
| 293 | M | 95.2 | Very high | 92 | Very high | 16 Ų | 16 | 69.9 Ų | 69.9 | 8% | 0.079 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -67 | 152.2 | 179.6 | -68.2 | 174.3 | 81.4 | 0 | 0 | 110.7 | D109 A111 L126 R128 M289 | D109-M293 HydrophobicContact CB-CE 4.33Å; D109-M293 WeakPolarHBondContact O-CE 3.45Å; D109-M293 WeakPolarHBondContact OD2-CA 3.25Å; D109-M293 WeakPolarHBondContact OD2-CB 3.46Å; A111-M293 HydrophobicContact CB-CE 4.14Å; A111-M293 HydrophobicContact CB-CG 4.01Å; A111-M293 HydrophobicContact CB-SD 3.66Å; L126-M293 HydrophobicContact CB-CE 4.29Å; L126-M293 HydrophobicContact CB-SD 3.99Å; L126-M293 HydrophobicContact CD1-SD 4.47Å; R128-M293 HydrophobicContact CB-CE 3.86Å; M289-M293 HydrophobicContact CB-SD 4.42Å; M289-M293 WeakPolarHBondContact O-CG 3.22Å; M289-M293 PolarHBondContact O-N 2.8Å |
| 294 | L | 94.9 | Very high | 90.8 | Very high | 92 Ų | 92 | 71.4 Ų | 71.4 | 48% | 0.482 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 147.4 | 174 | -63.2 | 176 | 0 | 0 | 0 | 110.9 | I108 D109 R128 | I108-L294 HydrophobicContact CG1-CD1 4.43Å; D109-L294 HydrophobicContact CB-CB 4.02Å; D109-L294 HydrophobicContact CB-CD1 4.26Å; D109-L294 HydrophobicContact CB-CG 4.24Å; D109-L294 PolarHBondContact OD2-N 3.35Å; R128-L294 WeakPolarHBondContact CG-O 3.36Å; R128-L294 PolarHBondContact NE-O 2.72Å |
| 295 | P | 93.8 | Very high | 89.8 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 62% | 0.623 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 155.4 | 169.8 | 31.3 | -34.8 | 0 | 0 | 0 | 110.8 | ||
| 296 | S | 92.7 | Very high | 88 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 151.2 | 164.6 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | N65 L129 M130 | N65-S296 WeakPolarHBondContact CB-OG 3.41Å; N65-S296 PolarHBondContact ND2-OG 2.86Å; L129-S296 WeakPolarHBondContact O-CB 3.49Å; L129-S296 PolarHBondContact O-OG 3.06Å; M130-S296 WeakPolarHBondContact O-CB 3.07Å |
| 297 | K | 92.4 | Very high | 86 | Confident | 146 Ų | 146 | 71.7 Ų | 71.7 | 64% | 0.635 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -78.5 | -40.2 | -177.8 | -65.9 | -178.8 | -179.7 | 173.6 | 0 | 112.4 | I108 M130 | I108-K297 HydrophobicContact CD1-CD 4.28Å; I108-K297 HydrophobicContact CD1-CG 3.88Å; M130-K297 HydrophobicContact CG-CD 3.87Å; M130-K297 HydrophobicContact CG-CG 4.25Å; M130-K297 PolarHBondContact O-N 2.87Å; M130-K297 HydrophobicContact SD-CD 4.08Å |
| 298 | D | 91.5 | Very high | 83.6 | Confident | 83 Ų | 83 | 74.1 Ų | 74.1 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | -170 | -173.3 | 55.8 | 45.6 | 0 | 0 | 0 | 110.6 | S131 G132 | S131-D298 CarbonylContact C-O 3.57Å; S131-D298 WeakPolarHBondContact CA-O 3.45Å; S131-D298 WeakPolarHBondContact CA-OD1 3.23Å; S131-D298 WeakPolarHBondContact CB-OD1 3.12Å; S131-D298 PolarHBondContact OG-OD1 2.79Å; G132-D298 PolarHBondContact N-O 3.33Å |
| 299 | N | 91.9 | Very high | 81.3 | Confident | 94 Ų | 94 | 69.6 Ų | 69.6 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140 | 174.8 | -60.1 | -59.9 | 0 | 0 | 0 | 109.4 | I63 | I63-N299 HydrophobicContact CD1-CB 3.92Å; I63-N299 VanDerWaalsContact CD1-CG 3.41Å; I63-N299 WeakPolarHBondContact CD1-OD1 3.06Å |
| 300 | L | 87.1 | Confident | 79.1 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 18% | 0.183 | 38% | 0.377 | C | S | . | . | trans | -65.6 | 141.5 | 172.9 | -70.5 | -176.1 | 0 | 0 | 0 | 110.8 | T103 I105 G132 P134 I305 | T103-L300 HydrophobicContact CG2-CD1 3.7Å; I105-L300 HydrophobicContact CD1-CD1 3.5Å; I105-L300 VanDerWaalsContact CD1-CD1 3.5Å; I105-L300 HydrophobicContact CG1-CD1 3.93Å; G132-L300 PolarHBondContact O-N 3.25Å; P134-L300 WeakPolarHBondContact CD-O 3.38Å; P134-L300 WeakPolarHBondContact CG-O 3.26Å; L300-I305 HydrophobicContact CD1-CD1 4.08Å | ||
| 301 | P | 82.7 | Confident | 76.9 | Confident | 79 Ų | 79 | 76.8 Ų | 76.8 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | trans | -69.2 | 143.7 | 167.3 | 29.9 | -33.5 | 0 | 0 | 0 | 109.7 | S303 S304 | P301-S303 PolarHBondContact O-N 3.03Å; P301-S303 VanDerWaalsContact O-N 3.09Å; P301-S304 WeakPolarHBondContact CD-OG 3.4Å; P301-S304 WeakPolarHBondContact O-CB 3.49Å; P301-S304 PolarHBondContact O-N 3.09Å; P301-S304 PolarHBondContact O-OG 3.36Å | ||
| 302 | A | 80.5 | Confident | 74.6 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 37% | 0.372 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -57.3 | -29.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P134 T136 S304 I305 | P134-A302 HydrophobicContact CG-CB 4.3Å; T136-A302 HydrophobicContact CG2-CB 4.23Å; A302-S304 PolarHBondContact O-N 2.75Å; A302-I305 PolarHBondContact O-N 2.9Å |
| 303 | S | 72.2 | Confident | 72.2 | Confident | 90 Ų | 90 | 68.5 Ų | 68.5 | 63% | 0.629 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -67.5 | -16.1 | 174.2 | 52 | 0 | 0 | 0 | 0 | 115 | P301 | P301-S303 PolarHBondContact O-N 3.03Å; P301-S303 VanDerWaalsContact O-N 3.09Å |
| 304 | S | 72.5 | Confident | 69.9 | Low | 41 Ų | 41 | 71.8 Ų | 71.8 | 29% | 0.287 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -88.3 | -5.9 | 175.1 | 69.5 | 0 | 0 | 0 | 0 | 113.7 | T103 P301 A302 H306 | T103-S304 WeakPolarHBondContact CG2-O 3.31Å; T103-S304 PolarHBondContact OG1-O 3.26Å; P301-S304 WeakPolarHBondContact CD-OG 3.4Å; P301-S304 WeakPolarHBondContact O-CB 3.49Å; P301-S304 PolarHBondContact O-N 3.09Å; P301-S304 PolarHBondContact O-OG 3.36Å; A302-S304 PolarHBondContact O-N 2.75Å; S304-H306 PolarHBondContact O-N 2.97Å |
| 305 | I | 74.1 | Confident | 67.8 | Low | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -75.6 | 103 | 169.7 | -57.1 | -51.4 | 0 | 0 | 0 | 107.8 | V92 T103 V133 P134 T136 T139 L300 A302 E307 Y308 | V92-I305 HydrophobicContact CG2-CD1 4.14Å; T103-I305 HydrophobicContact CG2-CD1 4.13Å; T103-I305 WeakPolarHBondContact OG1-CA 3.27Å; V133-I305 HydrophobicContact CG1-CD1 4.08Å; P134-I305 HydrophobicContact CG-CD1 4.33Å; P134-I305 HydrophobicContact CG-CG1 3.99Å; T136-I305 HydrophobicContact CG2-CB 4.38Å; T136-I305 HydrophobicContact CG2-CG1 4.16Å; T139-I305 HydrophobicContact CG2-CG2 3.66Å; L300-I305 HydrophobicContact CD1-CD1 4.08Å; A302-I305 PolarHBondContact O-N 2.9Å; I305-E307 VanDerWaalsContact C-N 3.31Å; I305-E307 PolarHBondContact O-N 3.15Å; I305-Y308 PolarHBondContact O-N 2.63Å |
| 306 | H | 58.1 | Low | 65.7 | Low | 40 Ų | 40 | 71.4 Ų | 71.4 | 19% | 0.185 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 83.4 | -176.7 | -178.2 | 63.1 | 0 | 0 | 0 | 110.5 | D101 T103 S304 | D101-H306 VanDerWaalsContact C-CD2 3.49Å; D101-H306 WeakPolarHBondContact CB-CE1 3.48Å; D101-H306 WeakPolarHBondContact CB-ND1 3.44Å; D101-H306 WeakPolarHBondContact O-CB 3.3Å; D101-H306 IonicContact OD2-CE1 2.66Å; T103-H306 WeakPolarHBondContact OG1-CB 3.47Å; T103-H306 PolarHBondContact OG1-N 3.27Å; S304-H306 PolarHBondContact O-N 2.97Å |
| 307 | E | 55.5 | Low | 63.3 | Low | 41 Ų | 41 | 76.1 Ų | 76.1 | 19% | 0.192 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | -142.9 | 38.7 | 118.1 | -160 | 111.6 | 47.3 | 0 | 0 | 110.3 | K28 H29 I305 L309 | K28-E307 WeakPolarHBondContact CE-OE1 3.03Å; K28-E307 WeakPolarHBondContact CE-OE2 3.27Å; K28-E307 IonicContact NZ-OE1 2.72Å; K28-E307 IonicContact NZ-OE2 2.82Å; K28-E307 PolarHBondContact NZ-OE2 2.94Å; H29-E307 WeakPolarHBondContact CE1-CB 3.19Å; H29-E307 VanDerWaalsContact CE1-CG 3.46Å; H29-E307 WeakPolarHBondContact CE1-CG 3.35Å; H29-E307 IonicContact CE1-OE1 2.77Å; H29-E307 PolarHBondContact CE1-OE1 2.73Å; H29-E307 VanDerWaalsContact NE2-CG 3.32Å; H29-E307 WeakPolarHBondContact NE2-CG 3.49Å; H29-E307 IonicContact NE2-OE1 3.77Å; H29-E307 PolarHBondContact NE2-OE1 3.28Å; I305-E307 VanDerWaalsContact C-N 3.31Å; I305-E307 PolarHBondContact O-N 3.15Å; E307-L309 PolarHBondContact O-N 3.07Å | |
| 308 | Y | 45.2 | Very low | 61.2 | Low | 110 Ų | 110 | 76 Ų | 76 | 43% | 0.431 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -65.6 | 91.2 | 161.1 | -107.8 | -89.1 | 0 | 0 | 0 | 108.8 | I305 K314 | I305-Y308 PolarHBondContact O-N 2.63Å; Y308-K314 WeakPolarHBondContact O-CE 3.49Å |
| 309 | L | 47.1 | Very low | 59 | Low | 31 Ų | 31 | 77 Ų | 77 | 16% | 0.162 | 41% | 0.41 | C | S | . | . | trans | 72.5 | 122.6 | 156.4 | -47.6 | 171 | 0 | 0 | 0 | 114.1 | E307 E313 K314 F317 | E307-L309 PolarHBondContact O-N 3.07Å; L309-E313 HydrophobicContact CB-CB 3.46Å; L309-E313 VanDerWaalsContact CB-CB 3.46Å; L309-E313 HydrophobicContact CD2-CB 3.65Å; L309-E313 HydrophobicContact CD2-CG 4.49Å; L309-E313 HydrophobicContact CG-CB 4.05Å; L309-K314 HydrophobicContact CB-CB 4.43Å; L309-K314 HydrophobicContact CB-CG 3.7Å; L309-K314 HydrophobicContact CD1-CG 4.44Å; L309-K314 WeakPolarHBondContact O-CE 3.47Å; L309-F317 HydrophobicContact CD1-CB 3.73Å; L309-F317 HydrophobicContact CD1-CD2 3.95Å; L309-F317 HydrophobicContact CD1-CG 3.99Å | ||
| 310 | T | 49.6 | Very low | 56.5 | Low | 61 Ų | 61 | 80.3 Ų | 80.3 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | trans | -49.9 | 163.8 | 157.6 | 58.5 | 0 | 0 | 0 | 0 | 110.3 | T312 E313 K314 | T310-T312 PolarHBondContact O-N 2.75Å; T310-T312 VanDerWaalsContact O-N 3.15Å; T310-E313 WeakPolarHBondContact CB-OE2 3.06Å; T310-E313 VanDerWaalsContact CG2-OE2 3.23Å; T310-E313 WeakPolarHBondContact CG2-OE2 2.98Å; T310-E313 PolarHBondContact N-OE2 2.91Å; T310-E313 CarbonylContact O-C 3.39Å; T310-E313 PolarHBondContact O-N 3.19Å; T310-E313 WeakPolarHBondContact OG1-CG 3.5Å; T310-E313 PolarHBondContact OG1-N 2.97Å; T310-E313 PolarHBondContact OG1-OE2 3.27Å; T310-K314 PolarHBondContact O-N 2.66Å | ||
| 311 | Q | 48.4 | Very low | 54.1 | Low | 162 Ų | 162 | 83.8 Ų | 83.8 | 76% | 0.757 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -54.6 | -37.4 | 174.8 | -76.4 | -165.3 | -7.8 | 0 | 0 | 112.1 | K314 I315 | Q311-K314 PolarHBondContact O-N 2.7Å; Q311-I315 WeakPolarHBondContact O-CB 3.27Å; Q311-I315 WeakPolarHBondContact O-CD1 3.29Å; Q311-I315 WeakPolarHBondContact O-CG1 3.42Å; Q311-I315 PolarHBondContact O-N 2.85Å |
| 312 | T | 45.8 | Very low | 51.9 | Low | 92 Ų | 92 | 86.2 Ų | 86.2 | 56% | 0.564 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -56.3 | -49.6 | 172.2 | -45.5 | 0 | 0 | 0 | 0 | 112.1 | T310 I315 N316 | T310-T312 PolarHBondContact O-N 2.75Å; T310-T312 VanDerWaalsContact O-N 3.15Å; T312-I315 WeakPolarHBondContact O-CB 3.3Å; T312-I315 PolarHBondContact O-N 2.81Å; T312-N316 PolarHBondContact O-N 2.79Å; T312-N316 PolarHBondContact O-ND2 2.76Å; T312-N316 PolarHBondContact O-OD1 3.35Å |
| 313 | E | 45.7 | Very low | 49.6 | Very low | 60 Ų | 60 | 88.1 Ų | 88.1 | 28% | 0.28 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.2 | -34.1 | -179.8 | -69.2 | 160 | 123.5 | 0 | 0 | 112.1 | L309 T310 I315 N316 F317 | L309-E313 HydrophobicContact CB-CB 3.46Å; L309-E313 VanDerWaalsContact CB-CB 3.46Å; L309-E313 HydrophobicContact CD2-CB 3.65Å; L309-E313 HydrophobicContact CD2-CG 4.49Å; L309-E313 HydrophobicContact CG-CB 4.05Å; T310-E313 WeakPolarHBondContact CB-OE2 3.06Å; T310-E313 VanDerWaalsContact CG2-OE2 3.23Å; T310-E313 WeakPolarHBondContact CG2-OE2 2.98Å; T310-E313 PolarHBondContact N-OE2 2.91Å; T310-E313 CarbonylContact O-C 3.39Å; T310-E313 PolarHBondContact O-N 3.19Å; T310-E313 WeakPolarHBondContact OG1-CG 3.5Å; T310-E313 PolarHBondContact OG1-N 2.97Å; T310-E313 PolarHBondContact OG1-OE2 3.27Å; E313-I315 VanDerWaalsContact C-N 3.32Å; E313-I315 PolarHBondContact O-N 3.31Å; E313-N316 PolarHBondContact O-N 2.96Å; E313-F317 PolarHBondContact O-N 3.29Å |
| 314 | K | 45.5 | Very low | 47.4 | Very low | 84 Ų | 84 | 88.6 Ų | 88.6 | 37% | 0.365 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 172.7 | -74.1 | -176.5 | -178.3 | 172.4 | 0 | 110.2 | D101 Y308 L309 T310 Q311 F317 L318 | D101-K314 IonicContact OD2-NZ 2.85Å; D101-K314 PolarHBondContact OD2-NZ 3.08Å; Y308-K314 WeakPolarHBondContact O-CE 3.49Å; L309-K314 HydrophobicContact CB-CB 4.43Å; L309-K314 HydrophobicContact CB-CG 3.7Å; L309-K314 HydrophobicContact CD1-CG 4.44Å; L309-K314 WeakPolarHBondContact O-CE 3.47Å; T310-K314 PolarHBondContact O-N 2.66Å; Q311-K314 PolarHBondContact O-N 2.7Å; K314-F317 PolarHBondContact O-N 3.33Å; K314-L318 PolarHBondContact O-N 2.79Å |
| 315 | I | 51.3 | Low | 45.4 | Very low | 91 Ų | 91 | 92.8 Ų | 92.8 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 173.1 | -71 | 165 | 0 | 0 | 0 | 110.3 | Q311 T312 E313 F317 L318 N319 | Q311-I315 WeakPolarHBondContact O-CB 3.27Å; Q311-I315 WeakPolarHBondContact O-CD1 3.29Å; Q311-I315 WeakPolarHBondContact O-CG1 3.42Å; Q311-I315 PolarHBondContact O-N 2.85Å; T312-I315 WeakPolarHBondContact O-CB 3.3Å; T312-I315 PolarHBondContact O-N 2.81Å; E313-I315 VanDerWaalsContact C-N 3.32Å; E313-I315 PolarHBondContact O-N 3.31Å; I315-F317 VanDerWaalsContact C-N 3.34Å; I315-F317 PolarHBondContact O-N 3.32Å; I315-L318 PolarHBondContact O-N 2.63Å; I315-N319 WeakPolarHBondContact CG2-ND2 3.42Å; I315-N319 VanDerWaalsContact O-CB 3.23Å; I315-N319 WeakPolarHBondContact O-CB 3.46Å; I315-N319 PolarHBondContact O-N 2.79Å |
| 316 | N | 49.7 | Very low | 43.1 | Very low | 90 Ų | 90 | 97.7 Ų | 97.7 | 48% | 0.481 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.1 | -31.6 | 179.2 | -69.1 | -15.9 | 0 | 0 | 0 | 113.5 | T312 E313 | T312-N316 PolarHBondContact O-N 2.79Å; T312-N316 PolarHBondContact O-ND2 2.76Å; T312-N316 PolarHBondContact O-OD1 3.35Å; E313-N316 PolarHBondContact O-N 2.96Å |
| 317 | F | 43.6 | Very low | 41.9 | Very low | 124 Ų | 124 | 103.5 Ų | 103.5 | 54% | 0.544 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -75.9 | -32.3 | 177.6 | -146.1 | -82.8 | 0 | 0 | 0 | 112.4 | L309 E313 K314 I315 | L309-F317 HydrophobicContact CD1-CB 3.73Å; L309-F317 HydrophobicContact CD1-CD2 3.95Å; L309-F317 HydrophobicContact CD1-CG 3.99Å; E313-F317 PolarHBondContact O-N 3.29Å; K314-F317 PolarHBondContact O-N 3.33Å; I315-F317 VanDerWaalsContact C-N 3.34Å; I315-F317 PolarHBondContact O-N 3.32Å |
| 318 | L | 48.3 | Very low | 40.7 | Very low | 144 Ų | 144 | 110.6 Ų | 110.6 | 75% | 0.754 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77.7 | -32.8 | 172.9 | -75.5 | 163.9 | 0 | 0 | 0 | 112.8 | K314 I315 K320 | K314-L318 PolarHBondContact O-N 2.79Å; I315-L318 PolarHBondContact O-N 2.63Å; L318-K320 VanDerWaalsContact C-N 3.34Å; L318-K320 PolarHBondContact O-N 3.41Å |
| 319 | N | 44.9 | Very low | 40.4 | Very low | 104 Ų | 104 | 109.5 Ų | 109.5 | 56% | 0.556 | 62% | 0.62 | S | S | * | * | trans | -91.1 | 30 | -175.1 | -71.4 | -14.8 | 0 | 0 | 0 | 114.8 | I315 S321 | I315-N319 WeakPolarHBondContact CG2-ND2 3.42Å; I315-N319 VanDerWaalsContact O-CB 3.23Å; I315-N319 WeakPolarHBondContact O-CB 3.46Å; I315-N319 PolarHBondContact O-N 2.79Å; N319-S321 PolarHBondContact O-N 3.05Å | ||
| 320 | K | 37.9 | Very low | 40.7 | Very low | 163 Ų | 163 | 114.8 Ų | 114.8 | 71% | 0.709 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 38 | 175.1 | -88.5 | -175.3 | 174.8 | 173.2 | 0 | 114.4 | L318 | L318-K320 VanDerWaalsContact C-N 3.34Å; L318-K320 PolarHBondContact O-N 3.41Å |
| 321 | S | 37.1 | Very low | 41.5 | Very low | 108 Ų | 108 | 119 Ų | 119 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.8 | 41.5 | 176.2 | 54.6 | 0 | 0 | 0 | 0 | 117 | N319 | N319-S321 PolarHBondContact O-N 3.05Š|
| 322 | V | 37.7 | Very low | 42.9 | Very low | 130 Ų | 130 | 114.6 Ų | 114.6 | 79% | 0.788 | 64% | 0.636 | S | S | * | * | trans | -130.8 | 134.5 | 163.2 | -178.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 323 | A | 31.2 | Very low | 44.8 | Very low | 84 Ų | 84 | 115.2 Ų | 115.2 | 69% | 0.694 | 63% | 0.632 | S | S | * | * | trans | -72.9 | 159.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V325 | A323-V325 PolarHBondContact O-N 2.8Š| ||
| 324 | A | 26.8 | Very low | 47.2 | Very low | 100 Ų | 100 | 114.3 Ų | 114.3 | 83% | 0.826 | 63% | 0.632 | S | S | * | * | trans | -62.6 | 128.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 325 | V | 30.1 | Very low | 49.5 | Very low | 129 Ų | 129 | 110.3 Ų | 110.3 | 78% | 0.782 | 61% | 0.614 | S | S | * | * | trans | -110.1 | 124.6 | 169.9 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | A323 Q327 | A323-V325 PolarHBondContact O-N 2.8Å; V325-Q327 PolarHBondContact O-N 2.68Å | ||
| 326 | A | 26.1 | Very low | 51.5 | Low | 104 Ų | 104 | 108.3 Ų | 108.3 | 86% | 0.86 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 116.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 327 | Q | 31.6 | Very low | 53.5 | Low | 161 Ų | 161 | 105.1 Ų | 105.1 | 75% | 0.752 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 134.7 | -179.4 | -141.3 | 168.1 | -2 | 0 | 0 | 110.3 | V325 | V325-Q327 PolarHBondContact O-N 2.68Š|
| 328 | K | 30.9 | Very low | 55.6 | Low | 191 Ų | 191 | 99.5 Ų | 99.5 | 83% | 0.83 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 154.5 | 170.9 | -77.8 | 176.6 | 172.9 | 176.3 | 0 | 109.8 | E330 | K328-E330 PolarHBondContact O-N 2.68Š|
| 329 | A | 38.5 | Very low | 57.3 | Low | 87 Ų | 87 | 98.6 Ų | 98.6 | 72% | 0.719 | 57% | 0.569 | S | S | * | * | trans | -65.9 | 91.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 330 | E | 54.4 | Low | 59 | Low | 141 Ų | 141 | 99.7 Ų | 99.7 | 66% | 0.659 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -72 | 135.5 | 165.4 | -71.2 | -178.9 | 153.9 | 0 | 0 | 109.2 | K328 | K328-E330 PolarHBondContact O-N 2.68Š|
| 331 | F | 65.7 | Low | 61.2 | Low | 150 Ų | 150 | 94.1 Ų | 94.1 | 66% | 0.658 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -77 | 132.9 | 174.6 | -73.5 | -86.1 | 0 | 0 | 0 | 109.9 | E333 N395 | F331-E333 PolarHBondContact O-N 3.41Å; F331-N395 WeakPolarHBondContact CA-OD1 3.43Å |
| 332 | F | 77.5 | Confident | 63.4 | Low | 70 Ų | 70 | 92 Ų | 92 | 31% | 0.307 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 120.4 | 175.9 | -70.2 | -86 | 0 | 0 | 0 | 110.9 | N395 F471 K476 | F332-N395 HydrophobicContact CD2-CB 4.43Å; F332-N395 PolarHBondContact N-OD1 2.85Å; F332-F471 HydrophobicContact CB-CB 3.92Å; F332-F471 HydrophobicContact CB-CD2 3.88Å; F332-F471 HydrophobicContact CB-CG 4.3Å; F332-F471 HydrophobicContact CD1-CB 4.39Å; F332-F471 HydrophobicContact CD2-CB 3.49Å; F332-F471 VanDerWaalsContact CD2-CB 3.49Å; F332-F471 HydrophobicContact CE2-CB 4.03Å; F332-F471 WeakPolarHBondContact CE2-O 3.33Å; F332-F471 HydrophobicContact CG-CB 3.69Å; F332-K476 HydrophobicContact CD1-CD 4.24Å; F332-K476 HydrophobicContact CD1-CG 4.49Å |
| 333 | E | 87.3 | Confident | 65.7 | Low | 105 Ų | 105 | 86.9 Ų | 86.9 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 146.4 | 172.4 | -58.5 | -156.4 | 116.2 | 0 | 0 | 112.4 | F331 V336 K582 | F331-E333 PolarHBondContact O-N 3.41Å; E333-V336 HydrophobicContact CB-CG2 4.13Å; E333-K582 IonicContact OE1-NZ 3.1Å; E333-K582 PolarHBondContact OE1-NZ 2.83Å; E333-K582 WeakPolarHBondContact OE2-CE 3.27Å; E333-K582 IonicContact OE2-NZ 3.17Å; E333-K582 PolarHBondContact OE2-NZ 2.93Å |
| 334 | C | 94.6 | Very high | 67.7 | Low | 40 Ų | 40 | 85.9 Ų | 85.9 | 27% | 0.27 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 151.2 | 169 | 68.2 | 0 | 0 | 0 | 0 | 111.7 | V336 P477 C479 | C334-V336 PolarHBondContact O-N 2.89Å; C334-V336 VanDerWaalsContact O-N 3.1Å; C334-P477 CarbonylContact C-O 3.57Å; C334-P477 WeakPolarHBondContact CA-O 3.32Å; C334-P477 HydrophobicContact CB-CG 4.11Å; C334-C479 HydrophobicContact CB-CB 3.99Å; C334-C479 WeakPolarHBondContact CB-SG 3.44Å; C334-C479 PolarHBondContact O-SG 3.32Å; C334-C479 WeakPolarHBondContact SG-CA 3.45Å; C334-C479 WeakPolarHBondContact SG-CB 3.46Å; C334-C479 CovalentContact SG-SG 2.05Å; C334-C479 PolarHBondContact SG-SG 2.82Å |
| 335 | G | 94.4 | Very high | 69.6 | Low | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 13.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | P477 W583 | G335-P477 PolarHBondContact N-O 2.84Å; G335-W583 VanDerWaalsContact CA-O 3.31Å; G335-W583 WeakPolarHBondContact CA-O 3.19Å; G335-W583 PolarHBondContact O-N 2.92Å |
| 336 | V | 93.8 | Very high | 70.6 | Confident | 50 Ų | 50 | 82 Ų | 82 | 30% | 0.303 | 45% | 0.449 | S | S | . | . | trans | -116.6 | 99.2 | 179.2 | -178.3 | 0 | 0 | 0 | 0 | 110 | E333 C334 K476 K582 | E333-V336 HydrophobicContact CB-CG2 4.13Å; C334-V336 PolarHBondContact O-N 2.89Å; C334-V336 VanDerWaalsContact O-N 3.1Å; V336-K476 WeakPolarHBondContact O-CD 3.14Å; V336-K476 PolarHBondContact O-NZ 2.92Å; V336-K582 HydrophobicContact CG2-CD 4.33Å; V336-K582 HydrophobicContact CG2-CG 3.97Å | ||
| 337 | P | 91.4 | Very high | 71.6 | Confident | 23 Ų | 23 | 79.1 Ų | 79.1 | 15% | 0.149 | 42% | 0.421 | C | S | . | . | trans | -63.6 | 163.3 | 175.7 | 29.7 | -36.1 | 0 | 0 | 0 | 111.3 | I343 P365 | P337-I343 HydrophobicContact CB-CD1 4.4Å; P337-I343 HydrophobicContact CB-CG1 4.48Å; P337-I343 HydrophobicContact CG-CD1 3.97Å; P337-I343 HydrophobicContact CG-CG1 4.19Å; P337-P365 HydrophobicContact CB-CG 4.37Å | ||
| 338 | S | 87.4 | Confident | 72 | Confident | 6 Ų | 6 | 77.1 Ų | 77.1 | 4% | 0.042 | 41% | 0.414 | C | S | . | . | trans | -65.9 | 138.9 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | K340 F341 E473 | S338-K340 PolarHBondContact O-N 3.17Å; S338-K340 VanDerWaalsContact O-N 3.07Å; S338-K340 PolarHBondContact OG-N 3.47Å; S338-F341 CarbonylContact O-C 3.58Å; S338-F341 VanDerWaalsContact O-C 3.28Å; S338-F341 PolarHBondContact O-N 2.88Å; S338-E473 WeakPolarHBondContact CB-O 3.43Å | ||
| 339 | P | 84.2 | Confident | 72.2 | Confident | 124 Ų | 124 | 70.5 Ų | 70.5 | 81% | 0.805 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -22.5 | 170.8 | -26.2 | 35.4 | 0 | 0 | 0 | 114.1 | F341 | P339-F341 VanDerWaalsContact C-N 3.32Š|
| 340 | K | 80.7 | Confident | 72 | Confident | 128 Ų | 128 | 69.6 Ų | 69.6 | 56% | 0.557 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -24.1 | 173.7 | -62.7 | 176.4 | -177.9 | 167.7 | 0 | 113.5 | S338 P342 E473 | S338-K340 PolarHBondContact O-N 3.17Å; S338-K340 VanDerWaalsContact O-N 3.07Å; S338-K340 PolarHBondContact OG-N 3.47Å; K340-P342 VanDerWaalsContact C-CD 3.5Å; K340-E473 WeakPolarHBondContact CD-OE2 3.1Å; K340-E473 VanDerWaalsContact CE-OE1 3.32Å; K340-E473 WeakPolarHBondContact CE-OE1 3.27Å; K340-E473 IonicContact NZ-OE1 2.85Å; K340-E473 PolarHBondContact NZ-OE1 3.25Å; K340-E473 IonicContact NZ-OE2 3.47Å; K340-E473 PolarHBondContact NZ-OE2 2.98Å |
| 341 | F | 84.5 | Confident | 70.9 | Confident | 46 Ų | 46 | 67 Ų | 67 | 20% | 0.202 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -129.2 | 66 | -175.4 | -50.3 | -60.4 | 0 | 0 | 0 | 109.7 | S338 P339 H362 S363 E473 I474 | S338-F341 CarbonylContact O-C 3.58Å; S338-F341 VanDerWaalsContact O-C 3.28Å; S338-F341 PolarHBondContact O-N 2.88Å; P339-F341 VanDerWaalsContact C-N 3.32Å; F341-H362 HydrophobicContact CB-CB 4.23Å; F341-H362 HydrophobicContact CD1-CB 4.24Å; F341-H362 HydrophobicContact CD2-CB 3.86Å; F341-H362 AromaticContact CE1-CD2 3.9Å; F341-H362 HydrophobicContact CE2-CB 4.31Å; F341-H362 HydrophobicContact CG-CB 3.84Å; F341-H362 AromaticContact CZ-CD2 3.87Å; F341-S363 WeakPolarHBondContact O-CA 3.37Å; F341-E473 HydrophobicContact CE2-CB 4.3Å; F341-I474 HydrophobicContact CD2-CG2 3.99Å; F341-I474 HydrophobicContact CE2-CG2 3.52Å; F341-I474 HydrophobicContact CZ-CG2 4.23Å |
| 342 | P | 83.2 | Confident | 69.5 | Low | 62 Ų | 62 | 63.7 Ų | 63.7 | 40% | 0.403 | 35% | 0.35 | S | S | . | . | trans | -66.1 | 146.7 | -177.2 | 29.2 | -35.9 | 0 | 0 | 0 | 111.5 | K340 T344 Q360 | K340-P342 VanDerWaalsContact C-CD 3.5Å; P342-T344 PolarHBondContact O-N 3.33Å; P342-Q360 PolarHBondContact O-OE1 2.57Å | ||
| 343 | I | 84.6 | Confident | 68 | Low | 24 Ų | 24 | 60.8 Ų | 60.8 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | trans | -78 | 117.4 | 171.2 | -68 | 170.6 | 0 | 0 | 0 | 109 | P337 M345 S363 L364 W366 I494 M531 W583 | P337-I343 HydrophobicContact CB-CD1 4.4Å; P337-I343 HydrophobicContact CB-CG1 4.48Å; P337-I343 HydrophobicContact CG-CD1 3.97Å; P337-I343 HydrophobicContact CG-CG1 4.19Å; I343-M345 HydrophobicContact CG2-SD 4.33Å; I343-S363 WeakPolarHBondContact CD1-O 3.07Å; I343-S363 WeakPolarHBondContact CG1-O 3.24Å; I343-L364 HydrophobicContact CD1-CD2 3.66Å; I343-L364 HydrophobicContact CG1-CD2 4Å; I343-W366 HydrophobicContact CD1-CH2 3.53Å; I343-W366 HydrophobicContact CD1-CZ2 3.66Å; I343-I494 HydrophobicContact CG2-CD1 3.49Å; I343-I494 VanDerWaalsContact CG2-CD1 3.49Å; I343-M531 HydrophobicContact CG2-CE 4.19Å; I343-W583 HydrophobicContact CB-CZ2 4.45Å; I343-W583 HydrophobicContact CD1-CD2 4.36Å; I343-W583 HydrophobicContact CD1-CG 4.4Å; I343-W583 HydrophobicContact CD1-CZ2 4.33Å; I343-W583 HydrophobicContact CG2-CZ2 4.02Å | ||
| 344 | T | 73.5 | Confident | 65.8 | Low | 62 Ų | 62 | 56.9 Ų | 56.9 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | trans | -93.6 | 105.6 | 178.5 | 11.2 | 0 | 0 | 0 | 0 | 110.5 | P342 S346 W357 Q360 | P342-T344 PolarHBondContact O-N 3.33Å; T344-S346 VanDerWaalsContact C-N 3.31Å; T344-S346 PolarHBondContact O-N 2.86Å; T344-W357 PolarHBondContact O-NE1 2.65Å; T344-Q360 PolarHBondContact OG1-OE1 3.09Å | ||
| 345 | M | 67.3 | Low | 63.6 | Low | 57 Ų | 57 | 55.5 Ų | 55.5 | 28% | 0.281 | 31% | 0.314 | S | S | . | . | trans | -78.4 | -9.2 | 179.7 | -69.3 | -66.1 | -84.2 | 0 | 0 | 114.2 | I343 E492 I494 I533 W583 | I343-M345 HydrophobicContact CG2-SD 4.33Å; M345-E492 HydrophobicContact CE-CB 4.47Å; M345-I494 HydrophobicContact CE-CG1 4.14Å; M345-I494 HydrophobicContact SD-CD1 3.58Å; M345-I494 VanDerWaalsContact SD-CD1 3.58Å; M345-I494 HydrophobicContact SD-CG1 3.57Å; M345-I494 VanDerWaalsContact SD-CG1 3.57Å; M345-I533 HydrophobicContact CB-CD1 3.98Å; M345-I533 HydrophobicContact CE-CD1 3.4Å; M345-I533 VanDerWaalsContact CE-CD1 3.4Å; M345-I533 HydrophobicContact CE-CG1 3.79Å; M345-I533 WeakPolarHBondContact O-CD1 3.13Å; M345-I533 HydrophobicContact SD-CD1 3.8Å; M345-I533 HydrophobicContact SD-CG1 4.17Å; M345-W583 HydrophobicContact CE-CH2 3.97Å; M345-W583 HydrophobicContact CG-CH2 4.45Å; M345-W583 HydrophobicContact SD-CH2 3.67Å; M345-W583 HydrophobicContact SD-CZ2 4.32Å | ||
| 346 | S | 51.6 | Low | 61.8 | Low | 90 Ų | 90 | 55.5 Ų | 55.5 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -116.1 | 120.2 | -178.1 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | T344 I348 | T344-S346 VanDerWaalsContact C-N 3.31Å; T344-S346 PolarHBondContact O-N 2.86Å; S346-I348 PolarHBondContact O-N 2.76Å |
| 347 | P | 46.7 | Very low | 60.4 | Low | 44 Ų | 44 | 54 Ų | 54 | 29% | 0.286 | 30% | 0.303 | S | S | . | . | trans | -69.5 | 123.2 | 176.3 | 26.1 | -30.8 | 0 | 0 | 0 | 109.9 | T349 W357 | P347-T349 VanDerWaalsContact CB-O 3.24Å; P347-T349 WeakPolarHBondContact CB-O 3.32Å; P347-W357 HydrophobicContact CB-CD2 3.98Å; P347-W357 HydrophobicContact CB-CE3 3.88Å; P347-W357 HydrophobicContact CB-CG 4.31Å; P347-W357 HydrophobicContact CB-CZ3 4.35Å; P347-W357 HydrophobicContact CG-CE3 4.07Å; P347-W357 HydrophobicContact CG-CZ3 4.06Å | ||
| 348 | I | 39.2 | Very low | 59.4 | Low | 119 Ų | 119 | 55.4 Ų | 55.4 | 61% | 0.61 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -74.2 | -24.1 | 161 | -62.5 | 175.8 | 0 | 0 | 0 | 109.5 | S346 | S346-I348 PolarHBondContact O-N 2.76Š|
| 349 | T | 36.2 | Very low | 58.8 | Low | 52 Ų | 52 | 55.2 Ų | 55.2 | 32% | 0.319 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -152.5 | 175.7 | 178.6 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | T98 E191 P347 | T98-T349 HydrophobicContact CG2-CG2 3.69Å; E191-T349 WeakPolarHBondContact OE1-CB 2.92Å; E191-T349 WeakPolarHBondContact OE1-CG2 3.08Å; E191-T349 PolarHBondContact OE1-OG1 2.9Å; E191-T349 PolarHBondContact OE2-OG1 3Å; P347-T349 VanDerWaalsContact CB-O 3.24Å; P347-T349 WeakPolarHBondContact CB-O 3.32Å |
| 350 | T | 33.8 | Very low | 58.5 | Low | 69 Ų | 69 | 53 Ų | 53 | 42% | 0.423 | 29% | 0.289 | S | S | . | . | trans | -142.6 | 155 | -173.4 | 65.1 | 0 | 0 | 0 | 0 | 110.9 | L188 | L188-T350 WeakPolarHBondContact CD2-O 3Š| ||
| 351 | N | 32.2 | Very low | 58.5 | Low | 86 Ų | 86 | 51.1 Ų | 51.1 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | cis | -142 | 148.2 | 8.2 | -105.8 | -28.7 | 0 | 0 | 0 | 110.1 | G355 G356 | N351-G355 VanDerWaalsContact OD1-CA 3.3Å; N351-G355 WeakPolarHBondContact OD1-CA 3.31Å; N351-G355 PolarHBondContact OD1-O 2.98Å; N351-G356 CarbonylContact C-O 3.53Å; N351-G356 VanDerWaalsContact C-O 3.3Å; N351-G356 WeakPolarHBondContact CA-O 3.37Å; N351-G356 PolarHBondContact OD1-N 2.89Å; N351-G356 PolarHBondContact OD1-O 2.69Å | ||
| 352 | R | 36.5 | Very low | 58.6 | Low | 81 Ų | 81 | 49.4 Ų | 49.4 | 31% | 0.306 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -158.6 | 11.2 | 162.5 | -118.4 | -179.5 | -60.5 | 162.7 | 10.9 | 122.5 | G356 T501 N525 D528 A530 | R352-G356 PolarHBondContact N-O 3.41Å; R352-T501 HydrophobicContact CG-CG2 3.76Å; R352-N525 WeakPolarHBondContact CD-O 3.38Å; R352-N525 PolarHBondContact NH1-O 2.83Å; R352-D528 IonicContact CZ-OD2 3.33Å; R352-D528 IonicContact NH1-OD2 2.73Å; R352-D528 PolarHBondContact NH1-OD2 3.26Å; R352-D528 IonicContact NH2-OD2 3.68Å; R352-A530 HydrophobicContact CB-CB 4.2Å; R352-A530 VanDerWaalsContact O-CB 3.3Å; R352-A530 WeakPolarHBondContact O-CB 3.47Å |
| 353 | I | 44.2 | Very low | 58.9 | Low | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.046 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -103.7 | 177 | 140.4 | -75.4 | -170.6 | 0 | 0 | 0 | 105.7 | G355 G356 A530 T532 G565 | I353-G355 PolarHBondContact O-N 2.84Å; I353-G356 PolarHBondContact O-N 3.08Å; I353-A530 HydrophobicContact CD1-CB 4.36Å; I353-A530 WeakPolarHBondContact CD1-O 3.28Å; I353-A530 HydrophobicContact CG1-CB 3.64Å; I353-T532 HydrophobicContact CB-CG2 4.37Å; I353-T532 HydrophobicContact CG2-CG2 3.69Å; I353-G565 WeakPolarHBondContact CG2-O 3.48Å |
| 354 | S | 42.4 | Very low | 59.3 | Low | 23 Ų | 23 | 45.6 Ų | 45.6 | 16% | 0.161 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -53 | 116.6 | 164.8 | -161.9 | 0 | 0 | 0 | 0 | 107.6 | G356 H563 R564 G565 G597 | S354-G356 PolarHBondContact O-N 2.96Å; S354-H563 WeakPolarHBondContact CB-O 3.28Å; S354-H563 PolarHBondContact OG-O 2.87Å; S354-R564 WeakPolarHBondContact O-CA 3.45Å; S354-G565 VanDerWaalsContact CB-O 3.24Å; S354-G565 WeakPolarHBondContact CB-O 3.16Å; S354-G565 PolarHBondContact N-O 3.4Å; S354-G565 PolarHBondContact O-N 2.85Å; S354-G597 WeakPolarHBondContact OG-CA 3.44Å |
| 355 | G | 48.8 | Very low | 60.3 | Low | 11 Ų | 11 | 42.8 Ų | 42.8 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 8.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 119 | N351 I353 R564 | N351-G355 VanDerWaalsContact OD1-CA 3.3Å; N351-G355 WeakPolarHBondContact OD1-CA 3.31Å; N351-G355 PolarHBondContact OD1-O 2.98Å; I353-G355 PolarHBondContact O-N 2.84Å; G355-R564 WeakPolarHBondContact O-CG 3.34Å; G355-R564 PolarHBondContact O-NE 2.86Å |
| 356 | G | 55.5 | Low | 61.7 | Low | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -95.6 | -170.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N351 R352 I353 S354 M531 T532 | N351-G356 CarbonylContact C-O 3.53Å; N351-G356 VanDerWaalsContact C-O 3.3Å; N351-G356 WeakPolarHBondContact CA-O 3.37Å; N351-G356 PolarHBondContact OD1-N 2.89Å; N351-G356 PolarHBondContact OD1-O 2.69Å; R352-G356 PolarHBondContact N-O 3.41Å; I353-G356 PolarHBondContact O-N 3.08Å; S354-G356 PolarHBondContact O-N 2.96Å; G356-M531 CarbonylContact C-O 3.59Å; G356-M531 VanDerWaalsContact CA-O 3.26Å; G356-M531 WeakPolarHBondContact CA-O 3.39Å; G356-T532 WeakPolarHBondContact CA-OG1 3.18Å | ||
| 357 | W | 64.3 | Low | 63.8 | Low | 19 Ų | 19 | 36.1 Ų | 36.1 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 166.2 | 179.5 | 55.5 | 98.4 | 0 | 0 | 0 | 112.4 | T344 P347 A359 A530 M531 I533 | T344-W357 PolarHBondContact O-NE1 2.65Å; P347-W357 HydrophobicContact CB-CD2 3.98Å; P347-W357 HydrophobicContact CB-CE3 3.88Å; P347-W357 HydrophobicContact CB-CG 4.31Å; P347-W357 HydrophobicContact CB-CZ3 4.35Å; P347-W357 HydrophobicContact CG-CE3 4.07Å; P347-W357 HydrophobicContact CG-CZ3 4.06Å; W357-A359 PolarHBondContact O-N 3.37Å; W357-A530 CarbonylContact O-C 3.59Å; W357-A530 WeakPolarHBondContact O-CA 3.24Å; W357-A530 WeakPolarHBondContact O-CB 3.35Å; W357-M531 HydrophobicContact CZ2-CE 3.95Å; W357-M531 PolarHBondContact N-O 3.08Å; W357-M531 PolarHBondContact O-N 3.33Å; W357-M531 VanDerWaalsContact O-O 3.07Å; W357-I533 HydrophobicContact CH2-CB 4.27Å; W357-I533 HydrophobicContact CH2-CD1 3.75Å; W357-I533 HydrophobicContact CH2-CG1 3.71Å; W357-I533 HydrophobicContact CZ2-CD1 4.28Å; W357-I533 HydrophobicContact CZ2-CG1 4.32Å |
| 358 | T | 70.5 | Confident | 66.1 | Low | 51 Ų | 51 | 34 Ų | 34 | 31% | 0.313 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 128.8 | 173.1 | -60.4 | 0 | 0 | 0 | 0 | 109.7 | D528 | T358-D528 HydrophobicContact CG2-CB 3.94Å |
| 359 | A | 74.4 | Confident | 68.7 | Low | 3 Ų | 3 | 28.7 Ų | 28.7 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 141.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | W357 K361 L364 Q428 L529 M531 | W357-A359 PolarHBondContact O-N 3.37Å; A359-K361 PolarHBondContact O-N 3.21Å; A359-L364 HydrophobicContact CB-CD1 3.93Å; A359-Q428 PolarHBondContact O-NE2 2.96Å; A359-L529 HydrophobicContact CB-CD2 4.33Å; A359-L529 HydrophobicContact CB-CG 4.1Å; A359-L529 PolarHBondContact N-O 3.48Å; A359-M531 HydrophobicContact CB-CB 4.3Å; A359-M531 HydrophobicContact CB-CG 3.88Å; A359-M531 HydrophobicContact CB-SD 3.84Å |
| 360 | Q | 79.3 | Confident | 71.4 | Confident | 77 Ų | 77 | 26.2 Ų | 26.2 | 36% | 0.36 | 14% | 0.135 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 138.1 | 173.6 | 177.5 | 172.7 | -2.3 | 0 | 0 | 109.6 | P342 T344 H362 S363 | P342-Q360 PolarHBondContact O-OE1 2.57Å; T344-Q360 PolarHBondContact OG1-OE1 3.09Å; Q360-H362 PolarHBondContact O-N 2.83Å; Q360-S363 PolarHBondContact N-OG 2.94Å; Q360-S363 VanDerWaalsContact O-CB 3.23Å; Q360-S363 WeakPolarHBondContact O-CB 3.49Å; Q360-S363 PolarHBondContact O-N 2.94Å; Q360-S363 PolarHBondContact O-OG 3.42Å |
| 361 | K | 80 | Confident | 74.1 | Confident | 89 Ų | 89 | 23.7 Ų | 23.7 | 39% | 0.387 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 124.5 | -176.9 | -160 | 178.3 | -167.1 | 173 | 0 | 110.9 | A359 S363 Q428 E634 | A359-K361 PolarHBondContact O-N 3.21Å; K361-S363 PolarHBondContact O-N 2.66Å; K361-S363 VanDerWaalsContact O-N 3.16Å; K361-Q428 HydrophobicContact CG-CB 4.12Å; K361-Q428 HydrophobicContact CG-CG 4.12Å; K361-E634 VanDerWaalsContact CE-CD 3.48Å; K361-E634 WeakPolarHBondContact CE-OE1 3.38Å; K361-E634 WeakPolarHBondContact CE-OE2 3.27Å; K361-E634 IonicContact NZ-OE1 2.85Å; K361-E634 PolarHBondContact NZ-OE1 3.37Å; K361-E634 IonicContact NZ-OE2 3.63Å |
| 362 | H | 86.9 | Confident | 76.8 | Confident | 10 Ų | 10 | 19.6 Ų | 19.6 | 5% | 0.046 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 6.7 | -177.9 | -44.4 | -52.8 | 0 | 0 | 0 | 117.3 | F341 Q360 L364 I474 E634 | F341-H362 HydrophobicContact CB-CB 4.23Å; F341-H362 HydrophobicContact CD1-CB 4.24Å; F341-H362 HydrophobicContact CD2-CB 3.86Å; F341-H362 AromaticContact CE1-CD2 3.9Å; F341-H362 HydrophobicContact CE2-CB 4.31Å; F341-H362 HydrophobicContact CG-CB 3.84Å; F341-H362 AromaticContact CZ-CD2 3.87Å; Q360-H362 PolarHBondContact O-N 2.83Å; H362-L364 PolarHBondContact O-N 3.33Å; H362-I474 HydrophobicContact CB-CB 3.86Å; H362-I474 HydrophobicContact CB-CG2 3.6Å; H362-I474 VanDerWaalsContact CG-CG2 3.43Å; H362-E634 IonicContact CD2-OE2 3.81Å; H362-E634 IonicContact CE1-OE2 3.1Å; H362-E634 IonicContact NE2-OE2 2.74Å; H362-E634 PolarHBondContact NE2-OE2 2.87Å |
| 363 | S | 89.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -66.3 | -22.8 | -179.1 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | F341 I343 Q360 K361 P365 | F341-S363 WeakPolarHBondContact O-CA 3.37Å; I343-S363 WeakPolarHBondContact CD1-O 3.07Å; I343-S363 WeakPolarHBondContact CG1-O 3.24Å; Q360-S363 PolarHBondContact N-OG 2.94Å; Q360-S363 VanDerWaalsContact O-CB 3.23Å; Q360-S363 WeakPolarHBondContact O-CB 3.49Å; Q360-S363 PolarHBondContact O-N 2.94Å; Q360-S363 PolarHBondContact O-OG 3.42Å; K361-S363 PolarHBondContact O-N 2.66Å; K361-S363 VanDerWaalsContact O-N 3.16Å; S363-P365 WeakPolarHBondContact O-CD 3.46Å |
| 364 | L | 92.9 | Very high | 80.2 | Confident | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -113.1 | 67.8 | 177.7 | -57.9 | 175.2 | 0 | 0 | 0 | 110.7 | I343 A359 H362 W366 M367 A496 L529 M531 | I343-L364 HydrophobicContact CD1-CD2 3.66Å; I343-L364 HydrophobicContact CG1-CD2 4Å; A359-L364 HydrophobicContact CB-CD1 3.93Å; H362-L364 PolarHBondContact O-N 3.33Å; L364-W366 HydrophobicContact CD2-CZ2 3.79Å; L364-W366 PolarHBondContact O-N 2.94Å; L364-M367 HydrophobicContact CB-CG 3.67Å; L364-M367 HydrophobicContact CD1-CG 4.31Å; L364-M367 WeakPolarHBondContact O-CB 3.34Å; L364-M367 PolarHBondContact O-N 2.89Å; L364-A496 HydrophobicContact CD1-CB 3.51Å; L364-L529 HydrophobicContact CB-CD2 4.16Å; L364-L529 HydrophobicContact CD1-CD2 4.2Å; L364-M531 HydrophobicContact CD1-CB 4.2Å; L364-M531 HydrophobicContact CD1-SD 4.3Å |
| 365 | P | 94.5 | Very high | 81.1 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.019 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -4.8 | -167.7 | 30.8 | -39.2 | 0 | 0 | 0 | 114.9 | P337 S363 I474 S475 K476 | P337-P365 HydrophobicContact CB-CG 4.37Å; S363-P365 WeakPolarHBondContact O-CD 3.46Å; P365-I474 WeakPolarHBondContact CA-O 3.45Å; P365-I474 VanDerWaalsContact CB-C 3.48Å; P365-I474 WeakPolarHBondContact CB-O 3.49Å; P365-S475 CarbonylContact O-C 3.59Å; P365-S475 WeakPolarHBondContact O-CA 3.04Å; P365-K476 CarbonylContact C-O 3.51Å; P365-K476 HydrophobicContact CB-CB 4.12Å; P365-K476 HydrophobicContact CB-CG 4.34Å; P365-K476 HydrophobicContact CG-CB 4.01Å; P365-K476 HydrophobicContact CG-CD 4.48Å; P365-K476 HydrophobicContact CG-CG 4.34Å; P365-K476 PolarHBondContact O-N 2.83Å |
| 366 | W | 96.8 | Very high | 81.7 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -15.6 | 174.1 | 43.9 | 78.4 | 0 | 0 | 0 | 113.8 | I343 L364 V368 T387 L388 K476 I478 W583 | I343-W366 HydrophobicContact CD1-CH2 3.53Å; I343-W366 HydrophobicContact CD1-CZ2 3.66Å; L364-W366 HydrophobicContact CD2-CZ2 3.79Å; L364-W366 PolarHBondContact O-N 2.94Å; W366-V368 PolarHBondContact O-N 3.38Å; W366-T387 CarbonylContact O-C 3.5Å; W366-T387 VanDerWaalsContact O-CA 3.23Å; W366-T387 WeakPolarHBondContact O-CA 3.26Å; W366-L388 PolarHBondContact O-N 3.03Å; W366-K476 WeakPolarHBondContact CA-O 3.19Å; W366-K476 VanDerWaalsContact CB-O 3.28Å; W366-K476 WeakPolarHBondContact CB-O 3.47Å; W366-K476 PolarHBondContact N-O 3.37Å; W366-I478 HydrophobicContact CB-CB 3.85Å; W366-I478 HydrophobicContact CD2-CB 4.17Å; W366-I478 HydrophobicContact CD2-CD1 3.72Å; W366-I478 HydrophobicContact CD2-CG1 4.44Å; W366-I478 HydrophobicContact CE3-CD1 4.02Å; W366-I478 HydrophobicContact CG-CB 3.81Å; W366-I478 HydrophobicContact CG-CD1 4.16Å; W366-I478 HydrophobicContact CG-CG1 4.39Å; W366-I478 HydrophobicContact CH2-CD1 4.26Å; W366-I478 HydrophobicContact CZ2-CD1 3.99Å; W366-I478 HydrophobicContact CZ3-CD1 4.28Å; W366-W583 HydrophobicContact CH2-CB 3.79Å; W366-W583 AromaticContact CH2-CD1 3.75Å; W366-W583 AromaticContact CH2-CG 3.82Å; W366-W583 HydrophobicContact CH2-CG 3.82Å; W366-W583 HydrophobicContact CZ2-CB 4.1Å; W366-W583 HydrophobicContact CZ2-CG 4.2Å; W366-W583 HydrophobicContact CZ3-CB 4.46Å |
| 367 | M | 95.8 | Very high | 81.8 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 131.8 | -177.4 | -70.3 | -61.3 | -61.7 | 0 | 0 | 111.1 | L364 A496 W498 L529 P574 | L364-M367 HydrophobicContact CB-CG 3.67Å; L364-M367 HydrophobicContact CD1-CG 4.31Å; L364-M367 WeakPolarHBondContact O-CB 3.34Å; L364-M367 PolarHBondContact O-N 2.89Å; M367-A496 HydrophobicContact CE-CB 4.15Å; M367-A496 VanDerWaalsContact CE-O 3.29Å; M367-A496 WeakPolarHBondContact CE-O 3.36Å; M367-A496 HydrophobicContact SD-CB 4.12Å; M367-W498 HydrophobicContact CB-CH2 3.88Å; M367-W498 HydrophobicContact CE-CH2 4.38Å; M367-W498 HydrophobicContact CE-CZ3 3.94Å; M367-L529 HydrophobicContact CB-CD1 4.39Å; M367-L529 HydrophobicContact CB-CD2 4.05Å; M367-L529 HydrophobicContact CE-CD1 4Å; M367-L529 HydrophobicContact CG-CD1 4.23Å; M367-L529 HydrophobicContact CG-CD2 4.07Å; M367-P574 HydrophobicContact CE-CG 4.45Å; M367-P574 WeakPolarHBondContact SD-CD 3.38Å; M367-P574 HydrophobicContact SD-CG 3.51Å; M367-P574 VanDerWaalsContact SD-CG 3.51Å |
| 368 | V | 95.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 148.3 | 173.7 | -50.1 | 0 | 0 | 0 | 0 | 111.3 | W366 G385 G386 L388 V400 V423 A424 I425 W498 | W366-V368 PolarHBondContact O-N 3.38Å; V368-G385 CarbonylContact O-C 3.54Å; V368-G386 PolarHBondContact N-O 2.76Å; V368-G386 PolarHBondContact O-N 3.41Å; V368-L388 HydrophobicContact CG1-CD1 4.42Å; V368-L388 HydrophobicContact CG1-CD2 4.08Å; V368-L388 HydrophobicContact CG1-CG 3.67Å; V368-V400 HydrophobicContact CG2-CG1 3.71Å; V368-V400 HydrophobicContact CG2-CG2 4.25Å; V368-V423 HydrophobicContact CB-CG1 3.54Å; V368-V423 HydrophobicContact CG1-CG1 4.14Å; V368-V423 HydrophobicContact CG2-CG1 3.57Å; V368-A424 WeakPolarHBondContact CA-O 3.24Å; V368-A424 WeakPolarHBondContact CB-O 3.3Å; V368-I425 HydrophobicContact CB-CG2 4.49Å; V368-I425 HydrophobicContact CG1-CB 4.45Å; V368-I425 HydrophobicContact CG1-CG2 3.78Å; V368-W498 VanDerWaalsContact O-CZ3 3.31Å; V368-W498 WeakPolarHBondContact O-CZ3 3.28Å |
| 369 | L | 92.8 | Very high | 80.3 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 113.4 | 172.9 | -178.6 | 70.9 | 0 | 0 | 0 | 108.8 | I371 L383 V423 A424 Q430 W498 | L369-I371 HydrophobicContact CD2-CD1 3.91Å; L369-I371 HydrophobicContact CD2-CG1 3.9Å; L369-I371 HydrophobicContact CG-CD1 4.27Å; L369-I371 HydrophobicContact CG-CG1 3.83Å; L369-L383 HydrophobicContact CD2-CD2 4.41Å; L369-V423 CarbonylContact O-C 3.53Å; L369-V423 WeakPolarHBondContact O-CA 3.18Å; L369-A424 HydrophobicContact CB-CB 4.31Å; L369-A424 PolarHBondContact N-O 2.66Å; L369-A424 PolarHBondContact O-N 2.67Å; L369-Q430 VanDerWaalsContact CD1-NE2 3.33Å; L369-Q430 HydrophobicContact CD2-CB 4.44Å; L369-Q430 HydrophobicContact CD2-CG 3.86Å; L369-W498 HydrophobicContact CB-CE3 4.37Å; L369-W498 HydrophobicContact CB-CH2 4.2Å; L369-W498 HydrophobicContact CB-CZ3 4.09Å; L369-W498 HydrophobicContact CD1-CD2 4.33Å; L369-W498 HydrophobicContact CD1-CE3 3.95Å; L369-W498 HydrophobicContact CD1-CZ3 4.41Å |
| 370 | F | 93.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130.8 | 168 | 176.3 | -97.7 | 0 | 0 | 0 | 109.8 | A372 L383 C384 C406 V407 C421 V423 V442 I463 | F370-A372 HydrophobicContact CE1-CB 3.7Å; F370-A372 HydrophobicContact CZ-CB 3.86Å; F370-L383 WeakPolarHBondContact O-CA 3.45Å; F370-C384 HydrophobicContact CB-CB 4.17Å; F370-C384 HydrophobicContact CD1-CB 4.23Å; F370-C384 PolarHBondContact N-O 3.46Å; F370-C384 PolarHBondContact O-N 2.83Å; F370-C406 HydrophobicContact CD1-CB 4.27Å; F370-C406 VanDerWaalsContact CE1-O 3.28Å; F370-C406 WeakPolarHBondContact CE1-O 3.49Å; F370-V407 HydrophobicContact CE2-CG1 4.38Å; F370-V407 HydrophobicContact CZ-CG1 4.04Å; F370-C421 HydrophobicContact CE2-CB 3.93Å; F370-C421 HydrophobicContact CZ-CB 4.06Å; F370-V423 HydrophobicContact CD2-CG2 4.05Å; F370-V442 HydrophobicContact CE2-CG2 4.29Å; F370-I463 HydrophobicContact CD2-CD1 3.39Å; F370-I463 HydrophobicContact CE2-CD1 3.58Å; F370-I463 HydrophobicContact CG-CD1 4.23Å |
| 371 | I | 90.7 | Very high | 78.9 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 113.3 | -174.4 | -53.9 | 166.5 | 0 | 0 | 0 | 107.5 | L369 L383 C421 Q422 A424 R439 | L369-I371 HydrophobicContact CD2-CD1 3.91Å; L369-I371 HydrophobicContact CD2-CG1 3.9Å; L369-I371 HydrophobicContact CG-CD1 4.27Å; L369-I371 HydrophobicContact CG-CG1 3.83Å; I371-L383 HydrophobicContact CB-CD2 4.24Å; I371-L383 HydrophobicContact CG1-CD2 3.84Å; I371-L383 HydrophobicContact CG2-CD2 3.99Å; I371-C421 CarbonylContact O-C 3.58Å; I371-C421 WeakPolarHBondContact O-CA 3.41Å; I371-Q422 PolarHBondContact N-O 2.98Å; I371-Q422 PolarHBondContact O-N 3.02Å; I371-A424 HydrophobicContact CD1-CB 4.2Å; I371-R439 VanDerWaalsContact CD1-CZ 3.46Å |
| 372 | A | 87.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F370 H381 A382 W416 D420 | F370-A372 HydrophobicContact CE1-CB 3.7Å; F370-A372 HydrophobicContact CZ-CB 3.86Å; A372-H381 CarbonylContact O-C 3.45Å; A372-H381 WeakPolarHBondContact O-CA 3.36Å; A372-H381 WeakPolarHBondContact O-CB 3.05Å; A372-A382 HydrophobicContact CB-CB 4.42Å; A372-A382 PolarHBondContact N-O 2.03Å; A372-A382 PolarHBondContact O-N 3.09Å; A372-W416 HydrophobicContact CB-CD2 3.6Å; A372-W416 HydrophobicContact CB-CE3 4Å; A372-W416 HydrophobicContact CB-CG 3.81Å; A372-W416 HydrophobicContact CB-CZ2 4.27Å; A372-W416 HydrophobicContact CB-CZ3 4.47Å; A372-D420 WeakPolarHBondContact CA-O 3.24Å |
| 373 | A | 80.7 | Confident | 78.5 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 31% | 0.314 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 136.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H381 D420 | A373-H381 HydrophobicContact CB-CB 3.87Å; A373-D420 PolarHBondContact N-O 3.48Å |
| 374 | K | 71.6 | Confident | 78.5 | Confident | 82 Ų | 82 | 49.6 Ų | 49.6 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 127.1 | 172.7 | -61.1 | -139.9 | 170.7 | -162 | 0 | 110.1 | N376 N377 K380 W416 | K374-N376 PolarHBondContact O-N 2.92Å; K374-N377 CarbonylContact O-C 3.58Å; K374-N377 PolarHBondContact O-N 3.17Å; K374-K380 PolarHBondContact N-O 3Å; K374-W416 HydrophobicContact CG-CE3 4.32Å; K374-W416 HydrophobicContact CG-CZ3 3.64Å |
| 375 | E | 62.6 | Low | 78.5 | Confident | 178 Ų | 178 | 49.3 Ų | 49.3 | 83% | 0.832 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -46.6 | 174.1 | -63.8 | -175.3 | 144.5 | 0 | 0 | 111.9 | N377 | E375-N377 VanDerWaalsContact C-N 3.25Å; E375-N377 PolarHBondContact O-N 3.31Å |
| 376 | N | 61 | Low | 78.5 | Confident | 162 Ų | 162 | 49.2 Ų | 49.2 | 87% | 0.866 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -6.3 | -178 | -63.8 | -16.4 | 0 | 0 | 0 | 114.3 | K374 | K374-N376 PolarHBondContact O-N 2.92Š|
| 377 | N | 57.8 | Low | 78.6 | Confident | 65 Ų | 65 | 49.1 Ų | 49.1 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 83 | 177.7 | -167.5 | -19.5 | 0 | 0 | 0 | 112.1 | K374 E375 M379 K380 | K374-N377 CarbonylContact O-C 3.58Å; K374-N377 PolarHBondContact O-N 3.17Å; E375-N377 VanDerWaalsContact C-N 3.25Å; E375-N377 PolarHBondContact O-N 3.31Å; N377-M379 PolarHBondContact O-N 2.86Å; N377-M379 WeakPolarHBondContact OD1-CB 2.94Å; N377-M379 PolarHBondContact OD1-N 2.97Å; N377-M379 VanDerWaalsContact OD1-N 3.15Å; N377-K380 PolarHBondContact O-N 2.91Å |
| 378 | P | 54.7 | Low | 78.7 | Confident | 95 Ų | 95 | 49 Ų | 49 | 62% | 0.617 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | -9.4 | 178.1 | 25 | -34.5 | 0 | 0 | 0 | 114.5 | K380 H381 | P378-K380 VanDerWaalsContact C-N 3.3Å; P378-H381 PolarHBondContact O-ND1 2.65Å |
| 379 | M | 47.2 | Very low | 78.8 | Confident | 128 Ų | 128 | 49 Ų | 49 | 63% | 0.631 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -18.2 | 169.2 | -62.2 | -174.2 | 70.8 | 0 | 0 | 112.7 | N377 | N377-M379 PolarHBondContact O-N 2.86Å; N377-M379 WeakPolarHBondContact OD1-CB 2.94Å; N377-M379 PolarHBondContact OD1-N 2.97Å; N377-M379 VanDerWaalsContact OD1-N 3.15Å |
| 380 | K | 57.1 | Low | 78.8 | Confident | 80 Ų | 80 | 50.2 Ų | 50.2 | 35% | 0.348 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 86.3 | 166.7 | -65.6 | -163 | -178.2 | -162.2 | 0 | 108.5 | K374 N377 P378 I409 S411 W416 | K374-K380 PolarHBondContact N-O 3Å; N377-K380 PolarHBondContact O-N 2.91Å; P378-K380 VanDerWaalsContact C-N 3.3Å; K380-I409 HydrophobicContact CD-CG2 4.49Å; K380-S411 PolarHBondContact NZ-OG 2.96Å; K380-W416 HydrophobicContact CB-CH2 4.27Å; K380-W416 WeakPolarHBondContact O-CH2 3.34Å |
| 381 | H | 67.9 | Low | 78.8 | Confident | 101 Ų | 101 | 52.7 Ų | 52.7 | 47% | 0.468 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 155.5 | 166.4 | 61.4 | -95.4 | 0 | 0 | 0 | 111 | A372 A373 P378 | A372-H381 CarbonylContact O-C 3.45Å; A372-H381 WeakPolarHBondContact O-CA 3.36Å; A372-H381 WeakPolarHBondContact O-CB 3.05Å; A373-H381 HydrophobicContact CB-CB 3.87Å; P378-H381 PolarHBondContact O-ND1 2.65Å |
| 382 | A | 73.7 | Confident | 78.6 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | A372 W416 | A372-A382 HydrophobicContact CB-CB 4.42Å; A372-A382 PolarHBondContact N-O 2.03Å; A372-A382 PolarHBondContact O-N 3.09Å; A382-W416 HydrophobicContact CB-CZ2 4.11Å |
| 383 | L | 85 | Confident | 78.5 | Confident | 53 Ų | 53 | 64 Ų | 64 | 28% | 0.277 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.5 | 170.4 | -66.7 | 176.7 | 0 | 0 | 0 | 107.4 | L369 F370 I371 | L369-L383 HydrophobicContact CD2-CD2 4.41Å; F370-L383 WeakPolarHBondContact O-CA 3.45Å; I371-L383 HydrophobicContact CB-CD2 4.24Å; I371-L383 HydrophobicContact CG1-CD2 3.84Å; I371-L383 HydrophobicContact CG2-CD2 3.99Å |
| 384 | C | 90 | Very high | 78.8 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 7% | 0.068 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 154.1 | -177 | -87.4 | 0 | 0 | 0 | 0 | 111.5 | F370 C406 T571 | F370-C384 HydrophobicContact CB-CB 4.17Å; F370-C384 HydrophobicContact CD1-CB 4.23Å; F370-C384 PolarHBondContact N-O 3.46Å; F370-C384 PolarHBondContact O-N 2.83Å; C384-C406 HydrophobicContact CB-CB 3.63Å; C384-C406 WeakPolarHBondContact CB-SG 3.35Å; C384-C406 VanDerWaalsContact SG-CA 3.59Å; C384-C406 WeakPolarHBondContact SG-CB 3.3Å; C384-C406 CovalentContact SG-SG 2.03Å; C384-C406 PolarHBondContact SG-SG 2.73Å; C384-T571 CarbonylContact C-O 3.53Å; C384-T571 WeakPolarHBondContact CA-O 3.09Å; C384-T571 WeakPolarHBondContact CB-O 3.45Å; C384-T571 PolarHBondContact SG-O 3.34Å; C384-T571 VanDerWaalsContact SG-O 3.38Å |
| 385 | G | 91.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 168.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V368 T402 T571 G572 | V368-G385 CarbonylContact O-C 3.54Å; G385-T402 PolarHBondContact O-OG1 2.8Å; G385-T571 PolarHBondContact N-O 3.2Å; G385-G572 VanDerWaalsContact C-C 3.42Å; G385-G572 CarbonylContact C-O 3.54Å; G385-G572 CarbonylContact O-C 3.31Å; G385-G572 WeakPolarHBondContact O-CA 3.35Å |
| 386 | G | 95.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | -180 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V368 L401 G572 | V368-G386 PolarHBondContact N-O 2.76Å; V368-G386 PolarHBondContact O-N 3.41Å; G386-L401 CarbonylContact C-O 3.56Å; G386-L401 WeakPolarHBondContact CA-O 3.47Å; G386-G572 WeakPolarHBondContact CA-O 3.07Å |
| 387 | T | 98.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144.1 | 175.3 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | W366 V400 L401 I478 P574 Q585 | W366-T387 CarbonylContact O-C 3.5Å; W366-T387 VanDerWaalsContact O-CA 3.23Å; W366-T387 WeakPolarHBondContact O-CA 3.26Å; T387-V400 CarbonylContact O-C 3.55Å; T387-V400 VanDerWaalsContact O-CA 3.23Å; T387-V400 WeakPolarHBondContact O-CA 3.27Å; T387-L401 PolarHBondContact N-O 2.94Å; T387-L401 PolarHBondContact O-N 3.27Å; T387-I478 HydrophobicContact CG2-CG2 4.15Å; T387-P574 HydrophobicContact CG2-CB 3.67Å; T387-P574 HydrophobicContact CG2-CG 3.6Å; T387-Q585 PolarHBondContact OG1-OE1 2.82Å |
| 388 | L | 97.7 | Very high | 84.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 126.6 | 159.7 | -68.6 | 173.7 | 0 | 0 | 0 | 108.8 | W366 V368 T397 V400 I425 L465 A469 P477 I478 | W366-L388 PolarHBondContact O-N 3.03Å; V368-L388 HydrophobicContact CG1-CD1 4.42Å; V368-L388 HydrophobicContact CG1-CD2 4.08Å; V368-L388 HydrophobicContact CG1-CG 3.67Å; L388-T397 HydrophobicContact CB-CG2 4.15Å; L388-T397 HydrophobicContact CD2-CG2 3.84Å; L388-T397 HydrophobicContact CG-CG2 4.49Å; L388-V400 HydrophobicContact CD2-CG2 3.92Å; L388-I425 HydrophobicContact CD1-CG2 4.46Å; L388-I425 HydrophobicContact CD2-CG2 4.19Å; L388-L465 HydrophobicContact CD2-CD1 4.45Å; L388-A469 HydrophobicContact CD2-CB 4.11Å; L388-P477 CarbonylContact O-C 3.55Å; L388-P477 VanDerWaalsContact O-CA 3.25Å; L388-P477 WeakPolarHBondContact O-CA 3.49Å; L388-I478 PolarHBondContact O-N 3.19Å |
| 389 | I | 97.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 149.9 | 174.6 | 58.5 | 160.1 | 0 | 0 | 0 | 110.1 | L391 T397 T399 L401 I478 L480 I613 | I389-L391 HydrophobicContact CD1-CG 4.44Å; I389-T397 VanDerWaalsContact O-CB 3.31Å; I389-T397 WeakPolarHBondContact O-CB 3.29Å; I389-T397 WeakPolarHBondContact O-CG2 3.38Å; I389-T397 PolarHBondContact O-OG1 3.32Å; I389-T399 HydrophobicContact CD1-CG2 3.74Å; I389-T399 HydrophobicContact CG1-CG2 3.79Å; I389-T399 PolarHBondContact N-O 2.75Å; I389-T399 VanDerWaalsContact N-O 3.11Å; I389-L401 HydrophobicContact CD1-CB 4.16Å; I389-L401 HydrophobicContact CG1-CB 4.39Å; I389-L401 HydrophobicContact CG2-CB 3.94Å; I389-I478 HydrophobicContact CG2-CG2 3.86Å; I389-L480 HydrophobicContact CB-CD1 4.49Å; I389-L480 HydrophobicContact CD1-CD1 4.1Å; I389-L480 HydrophobicContact CG2-CD2 3.95Å; I389-L480 HydrophobicContact CG2-CG 4.32Å; I389-I613 HydrophobicContact CD1-CG2 3.98Å |
| 390 | A | 93.6 | Very high | 89 | Confident | 34 Ų | 34 | 36.5 Ų | 36.5 | 28% | 0.281 | 20% | 0.2 | S | C | . | . | trans | -118.7 | 119.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | F471 P477 | A390-F471 HydrophobicContact CB-CZ 4.2Å; A390-P477 HydrophobicContact CB-CB 3.7Å; A390-P477 HydrophobicContact CB-CG 3.79Å | ||
| 391 | L | 92.4 | Very high | 91 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 27% | 0.272 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -97.5 | -16.5 | 176.9 | -65.2 | 172.9 | 0 | 0 | 0 | 112.7 | I389 T399 L480 I613 K614 D617 | I389-L391 HydrophobicContact CD1-CG 4.44Å; L391-T399 HydrophobicContact CD1-CG2 4.36Å; L391-L480 HydrophobicContact CD2-CD1 3.7Å; L391-I613 HydrophobicContact CD1-CG2 4.27Å; L391-I613 HydrophobicContact CD2-CG2 4.14Å; L391-K614 HydrophobicContact CD2-CG 4.28Å; L391-D617 HydrophobicContact CD1-CB 3.43Å; L391-D617 VanDerWaalsContact CD1-CB 3.43Å; L391-D617 VanDerWaalsContact CD1-CG 3.49Å |
| 392 | E | 87.3 | Confident | 92.3 | Very high | 120 Ų | 120 | 27.9 Ų | 27.9 | 56% | 0.561 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -127.1 | 147.2 | 175.7 | -68.1 | 171.2 | 178.3 | 0 | 0 | 109 | K622 | E392-K622 IonicContact OE1-NZ 2.65Å; E392-K622 PolarHBondContact OE1-NZ 2.98Å; E392-K622 IonicContact OE2-NZ 3.33Å; E392-K622 PolarHBondContact OE2-NZ 2.72Å |
| 393 | P | 85 | Confident | 93.3 | Very high | 135 Ų | 135 | 27.3 Ų | 27.3 | 88% | 0.877 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -63.5 | 138.2 | 172 | -20 | 32.7 | 0 | 0 | 0 | 111.6 | ||
| 394 | G | 86.9 | Confident | 93.7 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 21% | 0.206 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 170.6 | -175 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | F471 | G394-F471 WeakPolarHBondContact O-CD2 3.49Å; G394-F471 WeakPolarHBondContact O-CE2 3.29Å |
| 395 | N | 90 | Very high | 93.7 | Very high | 55 Ų | 55 | 25.6 Ų | 25.6 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -107.6 | 20.2 | 179.4 | -70.3 | -18.3 | 0 | 0 | 0 | 112.8 | F331 F332 F471 | F331-N395 WeakPolarHBondContact CA-OD1 3.43Å; F332-N395 HydrophobicContact CD2-CB 4.43Å; F332-N395 PolarHBondContact N-OD1 2.85Å; N395-F471 PolarHBondContact O-N 3.08Å |
| 396 | Q | 93 | Very high | 93.6 | Very high | 76 Ų | 76 | 25.7 Ų | 25.7 | 36% | 0.355 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 159.6 | -179.1 | 69.1 | -164.7 | 47 | 0 | 0 | 111 | Y468 A469 F471 L626 | Q396-Y468 HydrophobicContact CG-CD1 3.88Å; Q396-Y468 HydrophobicContact CG-CG 4.04Å; Q396-A469 CarbonylContact C-O 3.45Å; Q396-A469 WeakPolarHBondContact CA-O 3.28Å; Q396-A469 WeakPolarHBondContact CB-O 3.45Å; Q396-F471 WeakPolarHBondContact O-CZ 3.42Å; Q396-L626 HydrophobicContact CB-CD1 4.05Å |
| 397 | T | 95.7 | Very high | 93.3 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 150.3 | 167.1 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | L388 I389 T399 Y468 A469 F471 | L388-T397 HydrophobicContact CB-CG2 4.15Å; L388-T397 HydrophobicContact CD2-CG2 3.84Å; L388-T397 HydrophobicContact CG-CG2 4.49Å; I389-T397 VanDerWaalsContact O-CB 3.31Å; I389-T397 WeakPolarHBondContact O-CB 3.29Å; I389-T397 WeakPolarHBondContact O-CG2 3.38Å; I389-T397 PolarHBondContact O-OG1 3.32Å; T397-T399 PolarHBondContact OG1-N 2.81Å; T397-T399 VanDerWaalsContact OG1-N 3.14Å; T397-Y468 CarbonylContact O-C 3.58Å; T397-A469 PolarHBondContact N-O 2.98Å; T397-A469 WeakPolarHBondContact O-CB 3.47Å; T397-A469 PolarHBondContact O-N 2.86Å; T397-F471 HydrophobicContact CG2-CE1 3.69Å; T397-F471 HydrophobicContact CG2-CZ 4.07Å |
| 398 | D | 96.5 | Very high | 92.8 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 12 | 169 | 60.8 | -21.1 | 0 | 0 | 0 | 112 | R464 L465 Y468 K622 A623 | D398-R464 CarbonylContact O-C 3.58Å; D398-R464 WeakPolarHBondContact O-CA 3.23Å; D398-R464 IonicContact OD1-CZ 3.54Å; D398-R464 IonicContact OD1-NH1 3.4Å; D398-R464 PolarHBondContact OD1-NH1 3.48Å; D398-R464 WeakPolarHBondContact OD2-CD 3.17Å; D398-R464 IonicContact OD2-CZ 3.58Å; D398-R464 IonicContact OD2-NE 3.87Å; D398-R464 IonicContact OD2-NH1 2.98Å; D398-R464 PolarHBondContact OD2-NH1 3.3Å; D398-L465 HydrophobicContact CB-CB 4.29Å; D398-L465 PolarHBondContact O-N 3.21Å; D398-Y468 HydrophobicContact CB-CD1 3.58Å; D398-Y468 HydrophobicContact CB-CE1 3.88Å; D398-Y468 HydrophobicContact CB-CG 4.15Å; D398-Y468 WeakPolarHBondContact OD1-CE1 3.46Å; D398-K622 WeakPolarHBondContact OD2-CA 3.13Å; D398-A623 HydrophobicContact CB-CB 3.64Å; D398-A623 WeakPolarHBondContact OD2-CB 3.15Å; D398-A623 PolarHBondContact OD2-N 3.19Å |
| 399 | T | 97.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.4 | -174.6 | -51.3 | 0 | 0 | 0 | 0 | 111.7 | I389 L391 T397 V462 I463 D617 | I389-T399 HydrophobicContact CD1-CG2 3.74Å; I389-T399 HydrophobicContact CG1-CG2 3.79Å; I389-T399 PolarHBondContact N-O 2.75Å; I389-T399 VanDerWaalsContact N-O 3.11Å; L391-T399 HydrophobicContact CD1-CG2 4.36Å; T397-T399 PolarHBondContact OG1-N 2.81Å; T397-T399 VanDerWaalsContact OG1-N 3.14Å; T399-V462 HydrophobicContact CG2-CG1 3.37Å; T399-I463 WeakPolarHBondContact CA-O 3.42Å; T399-D617 WeakPolarHBondContact CG2-OD1 3.44Å; T399-D617 PolarHBondContact OG1-OD1 3.43Å |
| 400 | V | 98 | Very high | 90.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.6 | 177.8 | 164.1 | 0 | 0 | 0 | 0 | 110.3 | V368 T387 L388 V423 I463 L465 | V368-V400 HydrophobicContact CG2-CG1 3.71Å; V368-V400 HydrophobicContact CG2-CG2 4.25Å; T387-V400 CarbonylContact O-C 3.55Å; T387-V400 VanDerWaalsContact O-CA 3.23Å; T387-V400 WeakPolarHBondContact O-CA 3.27Å; L388-V400 HydrophobicContact CD2-CG2 3.92Å; V400-V423 HydrophobicContact CG2-CG1 4.28Å; V400-I463 HydrophobicContact CB-CB 4.07Å; V400-I463 HydrophobicContact CB-CG2 4.43Å; V400-I463 HydrophobicContact CG1-CB 4.36Å; V400-I463 HydrophobicContact CG1-CD1 4.46Å; V400-I463 PolarHBondContact N-O 3.19Å; V400-I463 PolarHBondContact O-N 3.41Å; V400-L465 HydrophobicContact CG2-CD1 4.13Å; V400-L465 HydrophobicContact CG2-CD2 4.18Å; V400-L465 HydrophobicContact CG2-CG 4.23Å |
| 401 | L | 98 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.9 | 173.9 | -165.2 | 67.9 | 0 | 0 | 0 | 110.3 | G386 T387 I389 I460 V462 L480 L588 V606 I613 | G386-L401 CarbonylContact C-O 3.56Å; G386-L401 WeakPolarHBondContact CA-O 3.47Å; T387-L401 PolarHBondContact N-O 2.94Å; T387-L401 PolarHBondContact O-N 3.27Å; I389-L401 HydrophobicContact CD1-CB 4.16Å; I389-L401 HydrophobicContact CG1-CB 4.39Å; I389-L401 HydrophobicContact CG2-CB 3.94Å; L401-I460 HydrophobicContact CD1-CD1 4.1Å; L401-I460 HydrophobicContact CD1-CG1 4.03Å; L401-V462 HydrophobicContact CD1-CG2 4.14Å; L401-L480 HydrophobicContact CD2-CD2 4.1Å; L401-L588 HydrophobicContact CD2-CD1 4.16Å; L401-L588 HydrophobicContact CG-CD1 3.85Å; L401-V606 HydrophobicContact CD2-CG1 4.06Å; L401-V606 HydrophobicContact CD2-CG2 4.37Å; L401-I613 HydrophobicContact CD1-CD1 3.91Å; L401-I613 HydrophobicContact CD1-CG1 4.11Å; L401-I613 HydrophobicContact CD2-CD1 4.21Å |
| 402 | T | 96 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | -176.3 | 177.4 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | G385 A461 I463 G572 L588 | G385-T402 PolarHBondContact O-OG1 2.8Å; T402-A461 HydrophobicContact CG2-CB 4.31Å; T402-A461 PolarHBondContact N-O 2.91Å; T402-A461 PolarHBondContact O-N 3.36Å; T402-A461 VanDerWaalsContact O-O 3.08Å; T402-I463 HydrophobicContact CG2-CD1 3.45Å; T402-I463 VanDerWaalsContact CG2-CD1 3.45Å; T402-I463 HydrophobicContact CG2-CG1 4.03Å; T402-G572 WeakPolarHBondContact OG1-CA 3.32Å; T402-L588 WeakPolarHBondContact O-CD1 3.35Å |
| 403 | A | 93.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -79.3 | 151.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S405 C406 D459 T571 L588 | A403-S405 VanDerWaalsContact C-N 3.3Å; A403-S405 WeakPolarHBondContact CB-OG 3.23Å; A403-C406 WeakPolarHBondContact O-CB 3.37Å; A403-C406 PolarHBondContact O-N 3.28Å; A403-D459 WeakPolarHBondContact CB-OD1 2.91Å; A403-T571 HydrophobicContact CB-CG2 3.82Å; A403-L588 HydrophobicContact CB-CD2 3.8Å | ||
| 404 | A | 93.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -33.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C406 V407 T447 F451 D459 A461 | A404-C406 PolarHBondContact O-N 2.81Å; A404-V407 VanDerWaalsContact O-CG2 3.29Å; A404-V407 WeakPolarHBondContact O-CG2 3.46Å; A404-V407 PolarHBondContact O-N 2.89Å; A404-V407 VanDerWaalsContact O-N 3.17Å; A404-T447 HydrophobicContact CB-CG2 3.92Å; A404-F451 HydrophobicContact CB-CB 4.34Å; A404-F451 HydrophobicContact CB-CD1 3.34Å; A404-F451 HydrophobicContact CB-CD2 4.03Å; A404-F451 HydrophobicContact CB-CE1 3.47Å; A404-F451 VanDerWaalsContact CB-CE1 3.47Å; A404-F451 HydrophobicContact CB-CE2 4.17Å; A404-F451 HydrophobicContact CB-CG 3.63Å; A404-F451 HydrophobicContact CB-CZ 3.9Å; A404-D459 WeakPolarHBondContact CA-OD1 2.99Å; A404-D459 WeakPolarHBondContact CB-OD1 3.34Å; A404-D459 PolarHBondContact N-OD1 3.21Å; A404-A461 HydrophobicContact CB-CB 4.44Å |
| 405 | S | 89.1 | Confident | 87.5 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -56.3 | -29.2 | 172 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | A403 D459 T571 T591 | A403-S405 VanDerWaalsContact C-N 3.3Å; A403-S405 WeakPolarHBondContact CB-OG 3.23Å; S405-D459 PolarHBondContact N-OD1 3.16Å; S405-D459 PolarHBondContact OG-OD1 3.06Å; S405-D459 VanDerWaalsContact OG-OD1 3.09Å; S405-D459 PolarHBondContact OG-OD2 2.92Å; S405-T571 VanDerWaalsContact OG-CG2 3.32Å; S405-T571 WeakPolarHBondContact OG-CG2 3.21Å; S405-T591 WeakPolarHBondContact CB-OG1 3.31Å; S405-T591 PolarHBondContact OG-OG1 2.7Å |
| 406 | C | 90.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -72.4 | -32.7 | 177.2 | -66.7 | 0 | 0 | 0 | 0 | 113.8 | F370 C384 A403 A404 L408 T571 | F370-C406 HydrophobicContact CD1-CB 4.27Å; F370-C406 VanDerWaalsContact CE1-O 3.28Å; F370-C406 WeakPolarHBondContact CE1-O 3.49Å; C384-C406 HydrophobicContact CB-CB 3.63Å; C384-C406 WeakPolarHBondContact CB-SG 3.35Å; C384-C406 VanDerWaalsContact SG-CA 3.59Å; C384-C406 WeakPolarHBondContact SG-CB 3.3Å; C384-C406 CovalentContact SG-SG 2.03Å; C384-C406 PolarHBondContact SG-SG 2.73Å; A403-C406 WeakPolarHBondContact O-CB 3.37Å; A403-C406 PolarHBondContact O-N 3.28Å; A404-C406 PolarHBondContact O-N 2.81Å; C406-L408 VanDerWaalsContact C-N 3.3Å; C406-T571 PolarHBondContact SG-O 3.14Å |
| 407 | V | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -91.4 | 10.4 | -179 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | F370 A404 R415 W416 F445 T447 A461 I463 | F370-V407 HydrophobicContact CE2-CG1 4.38Å; F370-V407 HydrophobicContact CZ-CG1 4.04Å; A404-V407 VanDerWaalsContact O-CG2 3.29Å; A404-V407 WeakPolarHBondContact O-CG2 3.46Å; A404-V407 PolarHBondContact O-N 2.89Å; A404-V407 VanDerWaalsContact O-N 3.17Å; V407-R415 WeakPolarHBondContact O-CA 3.49Å; V407-W416 VanDerWaalsContact C-CD1 3.45Å; V407-W416 PolarHBondContact O-N 2.84Å; V407-W416 VanDerWaalsContact O-N 3.14Å; V407-F445 HydrophobicContact CB-CD2 3.7Å; V407-F445 HydrophobicContact CB-CE1 4.42Å; V407-F445 HydrophobicContact CB-CE2 3.61Å; V407-F445 HydrophobicContact CB-CG 4.16Å; V407-F445 HydrophobicContact CB-CZ 3.98Å; V407-F445 HydrophobicContact CG1-CB 4.43Å; V407-F445 HydrophobicContact CG1-CD1 4.35Å; V407-F445 HydrophobicContact CG1-CD2 4.05Å; V407-F445 HydrophobicContact CG1-CE2 4.37Å; V407-F445 HydrophobicContact CG1-CG 4.03Å; V407-F445 HydrophobicContact CG2-CD2 3.73Å; V407-F445 HydrophobicContact CG2-CE2 3.81Å; V407-T447 HydrophobicContact CG2-CG2 3.37Å; V407-A461 HydrophobicContact CG1-CB 4.49Å; V407-A461 HydrophobicContact CG2-CB 3.98Å; V407-I463 HydrophobicContact CG1-CD1 4.11Å; V407-I463 HydrophobicContact CG1-CG1 4.27Å |
| 408 | L | 85.7 | Confident | 87.3 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -107.3 | 149.2 | 168.7 | -58.2 | -170 | 0 | 0 | 0 | 111.7 | C406 P410 F413 R415 W416 F451 | C406-L408 VanDerWaalsContact C-N 3.3Å; L408-P410 WeakPolarHBondContact O-CD 3.35Å; L408-F413 HydrophobicContact CD1-CB 4.48Å; L408-R415 HydrophobicContact CD2-CB 4.4Å; L408-R415 HydrophobicContact CD2-CG 3.63Å; L408-W416 VanDerWaalsContact C-NE1 3.28Å; L408-W416 PolarHBondContact O-NE1 2.67Å; L408-F451 HydrophobicContact CD1-CE1 3.74Å; L408-F451 HydrophobicContact CG-CE1 4.47Å |
| 409 | I | 75.8 | Confident | 87.1 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | trans | -77.5 | 115.9 | 173.5 | -61.4 | 166.3 | 0 | 0 | 0 | 108.2 | K380 S411 T412 F413 L414 W416 | K380-I409 HydrophobicContact CD-CG2 4.49Å; I409-S411 PolarHBondContact O-N 2.79Å; I409-T412 WeakPolarHBondContact CB-OG1 3.36Å; I409-T412 WeakPolarHBondContact CG2-OG1 3.4Å; I409-T412 PolarHBondContact O-N 3.04Å; I409-F413 PolarHBondContact O-N 2.81Å; I409-L414 WeakPolarHBondContact CB-O 3.42Å; I409-L414 HydrophobicContact CD1-CB 4.37Å; I409-L414 WeakPolarHBondContact CG1-O 3.47Å; I409-L414 PolarHBondContact N-O 3.03Å; I409-W416 HydrophobicContact CB-CZ2 4.23Å; I409-W416 HydrophobicContact CD1-CD2 4.41Å; I409-W416 HydrophobicContact CD1-CE3 4.33Å; I409-W416 HydrophobicContact CG1-CD2 3.53Å; I409-W416 HydrophobicContact CG1-CE3 3.83Å; I409-W416 HydrophobicContact CG1-CG 4.03Å; I409-W416 HydrophobicContact CG1-CH2 4.1Å; I409-W416 HydrophobicContact CG1-CZ2 3.84Å; I409-W416 HydrophobicContact CG1-CZ3 4.12Å; I409-W416 HydrophobicContact CG2-CH2 4.45Å; I409-W416 HydrophobicContact CG2-CZ2 4.32Å | ||
| 410 | P | 67.7 | Low | 86.7 | Confident | 88 Ų | 88 | 44.6 Ų | 44.6 | 57% | 0.571 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.1 | -170.9 | -28.4 | 35.8 | 0 | 0 | 0 | 115.5 | L408 | L408-P410 WeakPolarHBondContact O-CD 3.35Š|
| 411 | S | 67.9 | Low | 86.5 | Confident | 70 Ų | 70 | 44.7 Ų | 44.7 | 49% | 0.49 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -15.3 | -179.3 | 64.3 | 0 | 0 | 0 | 0 | 115.3 | K380 I409 | K380-S411 PolarHBondContact NZ-OG 2.96Å; I409-S411 PolarHBondContact O-N 2.79Å |
| 412 | T | 75.2 | Confident | 86.3 | Confident | 65 Ų | 65 | 48.3 Ų | 48.3 | 40% | 0.399 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.9 | -9.4 | -167.3 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | I409 L414 | I409-T412 WeakPolarHBondContact CB-OG1 3.36Å; I409-T412 WeakPolarHBondContact CG2-OG1 3.4Å; I409-T412 PolarHBondContact O-N 3.04Å; T412-L414 PolarHBondContact O-N 3Å |
| 413 | F | 73.7 | Confident | 86.3 | Confident | 111 Ų | 111 | 48.3 Ų | 48.3 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | trans | 55.5 | 4.8 | -174.7 | -50.4 | -68.4 | 0 | 0 | 0 | 115.9 | L408 I409 S453 | L408-F413 HydrophobicContact CD1-CB 4.48Å; I409-F413 PolarHBondContact O-N 2.81Å; F413-S453 VanDerWaalsContact CD1-CB 3.43Å | ||
| 414 | L | 84 | Confident | 86.3 | Confident | 114 Ų | 114 | 48.4 Ų | 48.4 | 60% | 0.597 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -65.7 | 145 | 165.3 | -61.8 | 175.7 | 0 | 0 | 0 | 110.1 | I409 T412 | I409-L414 WeakPolarHBondContact CB-O 3.42Å; I409-L414 HydrophobicContact CD1-CB 4.37Å; I409-L414 WeakPolarHBondContact CG1-O 3.47Å; I409-L414 PolarHBondContact N-O 3.03Å; T412-L414 PolarHBondContact O-N 3Å |
| 415 | R | 86.4 | Confident | 86.3 | Confident | 146 Ų | 146 | 48.4 Ų | 48.4 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | B | Isolated β-bridge | trans | -62.5 | 147.5 | 172.6 | -71.1 | 176 | 175.1 | 166.1 | -1.8 | 111 | V407 L408 F445 T447 | V407-R415 WeakPolarHBondContact O-CA 3.49Å; L408-R415 HydrophobicContact CD2-CB 4.4Å; L408-R415 HydrophobicContact CD2-CG 3.63Å; R415-F445 HydrophobicContact CB-CE2 4.16Å; R415-F445 HydrophobicContact CB-CZ 4.16Å; R415-F445 HydrophobicContact CG-CE2 4.13Å; R415-T447 PolarHBondContact NH2-OG1 3.45Å |
| 416 | W | 88.8 | Confident | 86.3 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 156.2 | 164.3 | -67 | 101 | 0 | 0 | 0 | 110.7 | A372 K374 K380 A382 V407 L408 I409 D420 C421 F445 | A372-W416 HydrophobicContact CB-CD2 3.6Å; A372-W416 HydrophobicContact CB-CE3 4Å; A372-W416 HydrophobicContact CB-CG 3.81Å; A372-W416 HydrophobicContact CB-CZ2 4.27Å; A372-W416 HydrophobicContact CB-CZ3 4.47Å; K374-W416 HydrophobicContact CG-CE3 4.32Å; K374-W416 HydrophobicContact CG-CZ3 3.64Å; K380-W416 HydrophobicContact CB-CH2 4.27Å; K380-W416 WeakPolarHBondContact O-CH2 3.34Å; A382-W416 HydrophobicContact CB-CZ2 4.11Å; V407-W416 VanDerWaalsContact C-CD1 3.45Å; V407-W416 PolarHBondContact O-N 2.84Å; V407-W416 VanDerWaalsContact O-N 3.14Å; L408-W416 VanDerWaalsContact C-NE1 3.28Å; L408-W416 PolarHBondContact O-NE1 2.67Å; I409-W416 HydrophobicContact CB-CZ2 4.23Å; I409-W416 HydrophobicContact CD1-CD2 4.41Å; I409-W416 HydrophobicContact CD1-CE3 4.33Å; I409-W416 HydrophobicContact CG1-CD2 3.53Å; I409-W416 HydrophobicContact CG1-CE3 3.83Å; I409-W416 HydrophobicContact CG1-CG 4.03Å; I409-W416 HydrophobicContact CG1-CH2 4.1Å; I409-W416 HydrophobicContact CG1-CZ2 3.84Å; I409-W416 HydrophobicContact CG1-CZ3 4.12Å; I409-W416 HydrophobicContact CG2-CH2 4.45Å; I409-W416 HydrophobicContact CG2-CZ2 4.32Å; W416-D420 HydrophobicContact CE3-CB 4.42Å; W416-C421 VanDerWaalsContact CB-SG 3.51Å; W416-F445 HydrophobicContact CB-CZ 4.43Å; W416-F445 VanDerWaalsContact O-CZ 3.29Å; W416-F445 WeakPolarHBondContact O-CZ 3.31Å |
| 417 | D | 91.5 | Very high | 86.1 | Confident | 62 Ų | 62 | 47.9 Ų | 47.9 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -78.4 | 130.3 | 163.9 | -169.4 | -42.4 | 0 | 0 | 0 | 107.5 | K419 D420 C421 | D417-K419 HydrophobicContact CB-CG 4.21Å; D417-K419 PolarHBondContact O-N 2.6Å; D417-K419 WeakPolarHBondContact OD1-CD 3.44Å; D417-K419 WeakPolarHBondContact OD1-CG 3.39Å; D417-K419 PolarHBondContact OD1-N 2.97Å; D417-K419 VanDerWaalsContact OD1-N 3.08Å; D417-K419 WeakPolarHBondContact OD2-CD 3.42Å; D417-K419 VanDerWaalsContact OD2-CE 3.25Å; D417-K419 WeakPolarHBondContact OD2-CE 3.38Å; D417-K419 IonicContact OD2-NZ 3.97Å; D417-K419 PolarHBondContact OD2-NZ 2.8Å; D417-D420 HydrophobicContact CB-CB 4.49Å; D417-D420 WeakPolarHBondContact O-CB 3.29Å; D417-D420 PolarHBondContact O-N 2.85Å; D417-C421 PolarHBondContact O-SG 3.43Å; D417-C421 VanDerWaalsContact O-SG 3.32Å |
| 418 | P | 93.5 | Very high | 85.7 | Confident | 37 Ų | 37 | 49 Ų | 49 | 24% | 0.24 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -49.9 | -30.6 | 176.4 | -30.9 | 37.4 | 0 | 0 | 0 | 114.4 | D420 C421 V442 F445 | P418-D420 VanDerWaalsContact C-N 3.28Å; P418-D420 PolarHBondContact O-N 3.09Å; P418-C421 WeakPolarHBondContact O-CB 3.25Å; P418-C421 PolarHBondContact O-N 3.32Å; P418-V442 HydrophobicContact CB-CG1 4.27Å; P418-F445 HydrophobicContact CG-CD1 4.31Å; P418-F445 HydrophobicContact CG-CE1 4.01Å |
| 419 | K | 92 | Very high | 85.2 | Confident | 158 Ų | 158 | 50.2 Ų | 50.2 | 69% | 0.687 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -67.6 | -26.6 | 176.5 | 83.5 | -162.2 | 179.9 | -143.1 | 0 | 113.7 | D417 C421 | D417-K419 HydrophobicContact CB-CG 4.21Å; D417-K419 PolarHBondContact O-N 2.6Å; D417-K419 WeakPolarHBondContact OD1-CD 3.44Å; D417-K419 WeakPolarHBondContact OD1-CG 3.39Å; D417-K419 PolarHBondContact OD1-N 2.97Å; D417-K419 VanDerWaalsContact OD1-N 3.08Å; D417-K419 WeakPolarHBondContact OD2-CD 3.42Å; D417-K419 VanDerWaalsContact OD2-CE 3.25Å; D417-K419 WeakPolarHBondContact OD2-CE 3.38Å; D417-K419 IonicContact OD2-NZ 3.97Å; D417-K419 PolarHBondContact OD2-NZ 2.8Å; K419-C421 PolarHBondContact O-N 3.23Å |
| 420 | D | 90.5 | Very high | 85.2 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -81.1 | 3 | 177.9 | -62.1 | -8.1 | 0 | 0 | 0 | 110.8 | A372 A373 W416 D417 P418 | A372-D420 WeakPolarHBondContact CA-O 3.24Å; A373-D420 PolarHBondContact N-O 3.48Å; W416-D420 HydrophobicContact CE3-CB 4.42Å; D417-D420 HydrophobicContact CB-CB 4.49Å; D417-D420 WeakPolarHBondContact O-CB 3.29Å; D417-D420 PolarHBondContact O-N 2.85Å; P418-D420 VanDerWaalsContact C-N 3.28Å; P418-D420 PolarHBondContact O-N 3.09Å |
| 421 | C | 93.2 | Very high | 85.2 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138 | -168.4 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | F370 I371 W416 D417 P418 K419 V442 | F370-C421 HydrophobicContact CE2-CB 3.93Å; F370-C421 HydrophobicContact CZ-CB 4.06Å; I371-C421 CarbonylContact O-C 3.58Å; I371-C421 WeakPolarHBondContact O-CA 3.41Å; W416-C421 VanDerWaalsContact CB-SG 3.51Å; D417-C421 PolarHBondContact O-SG 3.43Å; D417-C421 VanDerWaalsContact O-SG 3.32Å; P418-C421 WeakPolarHBondContact O-CB 3.25Å; P418-C421 PolarHBondContact O-N 3.32Å; K419-C421 PolarHBondContact O-N 3.23Å; C421-V442 HydrophobicContact CB-CB 3.83Å; C421-V442 HydrophobicContact CB-CG1 4.47Å; C421-V442 HydrophobicContact CB-CG2 3.78Å; C421-V442 PolarHBondContact O-N 3.46Å |
| 422 | Q | 94.4 | Very high | 85.2 | Confident | 75 Ų | 75 | 51.5 Ų | 51.5 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.3 | 176.4 | -62.7 | -179.7 | -45.5 | 0 | 0 | 110.3 | I371 R439 I440 | I371-Q422 PolarHBondContact N-O 2.98Å; I371-Q422 PolarHBondContact O-N 3.02Å; Q422-R439 HydrophobicContact CB-CB 4.37Å; Q422-I440 CarbonylContact C-O 3.59Å; Q422-I440 WeakPolarHBondContact CA-O 3.43Å |
| 423 | V | 95.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120.7 | 172 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | V368 L369 F370 V400 I425 R439 I440 V442 I463 L465 | V368-V423 HydrophobicContact CB-CG1 3.54Å; V368-V423 HydrophobicContact CG1-CG1 4.14Å; V368-V423 HydrophobicContact CG2-CG1 3.57Å; L369-V423 CarbonylContact O-C 3.53Å; L369-V423 WeakPolarHBondContact O-CA 3.18Å; F370-V423 HydrophobicContact CD2-CG2 4.05Å; V400-V423 HydrophobicContact CG2-CG1 4.28Å; V423-I425 HydrophobicContact CG1-CG2 4.27Å; V423-R439 WeakPolarHBondContact O-CA 3.47Å; V423-I440 PolarHBondContact N-O 3.3Å; V423-I440 PolarHBondContact O-N 3.06Å; V423-V442 HydrophobicContact CG2-CG2 3.99Å; V423-I463 HydrophobicContact CG2-CG2 4.4Å; V423-L465 HydrophobicContact CB-CD2 3.76Å; V423-L465 HydrophobicContact CG1-CD2 4.35Å; V423-L465 HydrophobicContact CG2-CD2 3.74Å |
| 424 | A | 93.3 | Very high | 84.6 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V368 L369 I371 V427 K438 R439 | V368-A424 WeakPolarHBondContact CA-O 3.24Å; V368-A424 WeakPolarHBondContact CB-O 3.3Å; L369-A424 HydrophobicContact CB-CB 4.31Å; L369-A424 PolarHBondContact N-O 2.66Å; L369-A424 PolarHBondContact O-N 2.67Å; I371-A424 HydrophobicContact CD1-CB 4.2Å; A424-V427 HydrophobicContact CB-CG2 3.8Å; A424-K438 WeakPolarHBondContact CA-O 2.95Å; A424-R439 HydrophobicContact CB-CG 4.06Å |
| 425 | I | 93.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 154 | -179.6 | 63 | 166.3 | 0 | 0 | 0 | 111.1 | V368 L388 V423 V427 K438 I440 A469 I632 | V368-I425 HydrophobicContact CB-CG2 4.49Å; V368-I425 HydrophobicContact CG1-CB 4.45Å; V368-I425 HydrophobicContact CG1-CG2 3.78Å; L388-I425 HydrophobicContact CD1-CG2 4.46Å; L388-I425 HydrophobicContact CD2-CG2 4.19Å; V423-I425 HydrophobicContact CG1-CG2 4.27Å; I425-V427 PolarHBondContact O-N 2.71Å; I425-V427 VanDerWaalsContact O-N 3.08Å; I425-K438 PolarHBondContact N-O 3.13Å; I425-K438 VanDerWaalsContact N-O 3.13Å; I425-K438 WeakPolarHBondContact O-CB 3.49Å; I425-I440 HydrophobicContact CD1-CD1 3.81Å; I425-I440 HydrophobicContact CG1-CD1 4.36Å; I425-I440 HydrophobicContact CG2-CD1 4.4Å; I425-A469 HydrophobicContact CD1-CB 3.86Å; I425-I632 HydrophobicContact CD1-CD1 3.6Å; I425-I632 HydrophobicContact CD1-CG1 4Å; I425-I632 HydrophobicContact CD1-CG2 4.28Å |
| 426 | A | 89 | Confident | 84 | Confident | 8 Ų | 8 | 41 Ų | 41 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 50.6 | 37.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K438 I474 I632 | A426-K438 PolarHBondContact O-NZ 3.32Å; A426-I474 HydrophobicContact CB-CB 4.47Å; A426-I474 HydrophobicContact CB-CD1 3.87Å; A426-I474 HydrophobicContact CB-CG1 3.84Å; A426-I474 WeakPolarHBondContact CB-O 3.29Å; A426-I632 HydrophobicContact CB-CG2 3.71Å |
| 427 | V | 86.2 | Confident | 83.8 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | trans | -100.1 | 122 | 176.3 | 173 | 0 | 0 | 0 | 0 | 108.7 | A424 I425 N429 K438 W498 | A424-V427 HydrophobicContact CB-CG2 3.8Å; I425-V427 PolarHBondContact O-N 2.71Å; I425-V427 VanDerWaalsContact O-N 3.08Å; V427-N429 VanDerWaalsContact CG1-O 3.31Å; V427-N429 WeakPolarHBondContact CG1-O 3.26Å; V427-K438 HydrophobicContact CG2-CB 4.2Å; V427-K438 HydrophobicContact CG2-CD 4.16Å; V427-W498 WeakPolarHBondContact O-CZ2 3.38Å | ||
| 428 | Q | 81.4 | Confident | 83.6 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -83.4 | -52.7 | 167.3 | -178.4 | 66.6 | 26.8 | 0 | 0 | 110.4 | A359 K361 W498 D528 L529 | A359-Q428 PolarHBondContact O-NE2 2.96Å; K361-Q428 HydrophobicContact CG-CB 4.12Å; K361-Q428 HydrophobicContact CG-CG 4.12Å; Q428-W498 PolarHBondContact O-NE1 3.18Å; Q428-D528 CarbonylContact O-C 3.28Å; Q428-L529 PolarHBondContact NE2-O 3.4Å; Q428-L529 PolarHBondContact O-N 2.89Å |
| 429 | N | 76.4 | Confident | 83.6 | Confident | 43 Ų | 43 | 44.7 Ų | 44.7 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -114.7 | 122.7 | -177.3 | -175.9 | -63.1 | 0 | 0 | 0 | 110.4 | V427 R431 S432 A527 D528 | V427-N429 VanDerWaalsContact CG1-O 3.31Å; V427-N429 WeakPolarHBondContact CG1-O 3.26Å; N429-R431 PolarHBondContact O-N 3.39Å; N429-R431 VanDerWaalsContact O-N 3.08Å; N429-R431 WeakPolarHBondContact OD1-CA 3.44Å; N429-R431 WeakPolarHBondContact OD1-CB 3.22Å; N429-R431 PolarHBondContact OD1-N 2.89Å; N429-S432 VanDerWaalsContact O-CB 3.28Å; N429-S432 WeakPolarHBondContact O-CB 3.37Å; N429-S432 PolarHBondContact O-N 3.41Å; N429-S432 VanDerWaalsContact O-N 3.08Å; N429-S432 PolarHBondContact OD1-N 3.36Å; N429-A527 CarbonylContact C-O 3.14Å; N429-A527 VanDerWaalsContact CA-O 3.24Å; N429-A527 WeakPolarHBondContact CA-O 3.42Å; N429-D528 PolarHBondContact ND2-OD1 3.05Å |
| 430 | Q | 75.6 | Confident | 83.7 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.1 | -176.3 | -59.6 | -167.9 | -13.8 | 0 | 0 | 114.1 | L369 S435 W498 A527 | L369-Q430 VanDerWaalsContact CD1-NE2 3.33Å; L369-Q430 HydrophobicContact CD2-CB 4.44Å; L369-Q430 HydrophobicContact CD2-CG 3.86Å; Q430-S435 WeakPolarHBondContact O-CB 2.83Å; Q430-S435 PolarHBondContact O-OG 2.89Å; Q430-W498 HydrophobicContact CG-CB 4.38Å; Q430-W498 HydrophobicContact CG-CG 4.02Å; Q430-A527 HydrophobicContact CB-CB 4.41Å; Q430-A527 PolarHBondContact N-O 2.98Å |
| 431 | R | 68.3 | Low | 83.9 | Confident | 118 Ų | 118 | 37 Ų | 37 | 45% | 0.445 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 5.1 | -175.7 | -58.9 | -179.3 | -179.4 | -161.7 | -4.7 | 113 | N429 T523 A527 | N429-R431 PolarHBondContact O-N 3.39Å; N429-R431 VanDerWaalsContact O-N 3.08Å; N429-R431 WeakPolarHBondContact OD1-CA 3.44Å; N429-R431 WeakPolarHBondContact OD1-CB 3.22Å; N429-R431 PolarHBondContact OD1-N 2.89Å; R431-T523 PolarHBondContact NH2-O 3.41Å; R431-T523 PolarHBondContact NH2-OG1 2.8Å; R431-A527 HydrophobicContact CG-CB 3.99Å |
| 432 | S | 67.8 | Low | 84.1 | Confident | 36 Ų | 36 | 37.4 Ų | 37.4 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -62.4 | 140.1 | 175.9 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | N429 D434 S435 | N429-S432 VanDerWaalsContact O-CB 3.28Å; N429-S432 WeakPolarHBondContact O-CB 3.37Å; N429-S432 PolarHBondContact O-N 3.41Å; N429-S432 VanDerWaalsContact O-N 3.08Å; N429-S432 PolarHBondContact OD1-N 3.36Å; S432-D434 WeakPolarHBondContact CB-OD1 3.25Å; S432-D434 PolarHBondContact O-N 3.31Å; S432-D434 PolarHBondContact OG-OD1 3.32Å; S432-S435 WeakPolarHBondContact O-CB 3.45Å; S432-S435 PolarHBondContact O-N 3.17Å; S432-S435 PolarHBondContact O-OG 3.16Å |
| 433 | P | 64.6 | Low | 84.2 | Confident | 90 Ų | 90 | 36.9 Ų | 36.9 | 58% | 0.584 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -8.4 | -179.3 | -26.1 | 35.5 | 0 | 0 | 0 | 116.7 | R437 | P433-R437 PolarHBondContact O-NH2 3.33Š|
| 434 | D | 70.8 | Confident | 84.3 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -9.8 | 173.4 | 67.7 | -27.5 | 0 | 0 | 0 | 114.5 | S432 E436 R437 K438 Y635 | S432-D434 WeakPolarHBondContact CB-OD1 3.25Å; S432-D434 PolarHBondContact O-N 3.31Å; S432-D434 PolarHBondContact OG-OD1 3.32Å; D434-E436 VanDerWaalsContact C-N 3.3Å; D434-E436 PolarHBondContact O-N 3.2Å; D434-R437 PolarHBondContact O-N 2.68Å; D434-K438 PolarHBondContact O-N 3.25Å; D434-K438 VanDerWaalsContact OD2-CE 3.31Å; D434-K438 WeakPolarHBondContact OD2-CE 3.48Å; D434-K438 IonicContact OD2-NZ 3.88Å; D434-K438 PolarHBondContact OD2-NZ 2.84Å; D434-Y635 PolarHBondContact OD2-N 3.42Å |
| 435 | S | 76.5 | Confident | 84.4 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -41.2 | -177 | 67 | 0 | 0 | 0 | 0 | 112 | Q430 S432 R437 K438 R439 | Q430-S435 WeakPolarHBondContact O-CB 2.83Å; Q430-S435 PolarHBondContact O-OG 2.89Å; S432-S435 WeakPolarHBondContact O-CB 3.45Å; S432-S435 PolarHBondContact O-N 3.17Å; S432-S435 PolarHBondContact O-OG 3.16Å; S435-R437 VanDerWaalsContact C-N 3.35Å; S435-R437 PolarHBondContact O-N 2.77Å; S435-K438 PolarHBondContact O-N 3.15Å; S435-R439 WeakPolarHBondContact O-CG 3.43Å |
| 436 | E | 80.4 | Confident | 84.4 | Confident | 108 Ų | 108 | 40.9 Ų | 40.9 | 51% | 0.505 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -59.8 | -39.8 | 174.6 | -61.7 | -51.1 | 119.4 | 0 | 0 | 113.2 | D434 K438 R439 | D434-E436 VanDerWaalsContact C-N 3.3Å; D434-E436 PolarHBondContact O-N 3.2Å; E436-K438 PolarHBondContact O-N 2.93Å; E436-R439 WeakPolarHBondContact O-CB 3.49Å; E436-R439 WeakPolarHBondContact O-CG 3.49Å; E436-R439 PolarHBondContact O-N 2.74Å; E436-R439 IonicContact OE1-CZ 3.75Å; E436-R439 IonicContact OE1-NE 3.68Å; E436-R439 PolarHBondContact OE1-NE 3.37Å; E436-R439 IonicContact OE1-NH2 3.9Å; E436-R439 PolarHBondContact OE1-NH2 3.46Å; E436-R439 IonicContact OE2-CZ 2.86Å; E436-R439 IonicContact OE2-NE 2.7Å; E436-R439 PolarHBondContact OE2-NE 2.84Å; E436-R439 VanDerWaalsContact OE2-NE 3.09Å; E436-R439 IonicContact OE2-NH1 3.24Å; E436-R439 IonicContact OE2-NH2 2.79Å; E436-R439 PolarHBondContact OE2-NH2 3.07Å |
| 437 | R | 84.7 | Confident | 84.7 | Confident | 120 Ų | 120 | 41.1 Ų | 41.1 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -70.3 | -23.2 | -178.4 | -56.2 | -176.2 | -147.3 | 145.6 | 13.8 | 112 | P433 D434 S435 R439 F627 F631 | P433-R437 PolarHBondContact O-NH2 3.33Å; D434-R437 PolarHBondContact O-N 2.68Å; S435-R437 VanDerWaalsContact C-N 3.35Å; S435-R437 PolarHBondContact O-N 2.77Å; R437-R439 VanDerWaalsContact C-N 3.31Å; R437-F627 VanDerWaalsContact O-CZ 3.29Å; R437-F627 WeakPolarHBondContact O-CZ 3.41Å; R437-F631 HydrophobicContact CB-CB 4.39Å; R437-F631 WeakPolarHBondContact O-CB 3.35Å |
| 438 | K | 88.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -89.4 | 9.1 | -179.9 | -70.2 | 169 | 169.8 | 176.7 | 0 | 113.7 | A424 I425 A426 V427 D434 S435 E436 F631 R633 | A424-K438 WeakPolarHBondContact CA-O 2.95Å; I425-K438 PolarHBondContact N-O 3.13Å; I425-K438 VanDerWaalsContact N-O 3.13Å; I425-K438 WeakPolarHBondContact O-CB 3.49Å; A426-K438 PolarHBondContact O-NZ 3.32Å; V427-K438 HydrophobicContact CG2-CB 4.2Å; V427-K438 HydrophobicContact CG2-CD 4.16Å; D434-K438 PolarHBondContact O-N 3.25Å; D434-K438 VanDerWaalsContact OD2-CE 3.31Å; D434-K438 WeakPolarHBondContact OD2-CE 3.48Å; D434-K438 IonicContact OD2-NZ 3.88Å; D434-K438 PolarHBondContact OD2-NZ 2.84Å; S435-K438 PolarHBondContact O-N 3.15Å; E436-K438 PolarHBondContact O-N 2.93Å; K438-F631 WeakPolarHBondContact CE-O 3.46Å; K438-F631 WeakPolarHBondContact CG-O 3.21Å; K438-R633 VanDerWaalsContact CE-O 3.29Å; K438-R633 WeakPolarHBondContact CE-O 3.42Å |
| 439 | R | 92.5 | Very high | 85.6 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 23% | 0.226 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.2 | 178.8 | -63.2 | -172.6 | -179.2 | -157.6 | 6.1 | 111.6 | I371 Q422 V423 A424 S435 E436 R437 | I371-R439 VanDerWaalsContact CD1-CZ 3.46Å; Q422-R439 HydrophobicContact CB-CB 4.37Å; V423-R439 WeakPolarHBondContact O-CA 3.47Å; A424-R439 HydrophobicContact CB-CG 4.06Å; S435-R439 WeakPolarHBondContact O-CG 3.43Å; E436-R439 WeakPolarHBondContact O-CB 3.49Å; E436-R439 WeakPolarHBondContact O-CG 3.49Å; E436-R439 PolarHBondContact O-N 2.74Å; E436-R439 IonicContact OE1-CZ 3.75Å; E436-R439 IonicContact OE1-NE 3.68Å; E436-R439 PolarHBondContact OE1-NE 3.37Å; E436-R439 IonicContact OE1-NH2 3.9Å; E436-R439 PolarHBondContact OE1-NH2 3.46Å; E436-R439 IonicContact OE2-CZ 2.86Å; E436-R439 IonicContact OE2-NE 2.7Å; E436-R439 PolarHBondContact OE2-NE 2.84Å; E436-R439 VanDerWaalsContact OE2-NE 3.09Å; E436-R439 IonicContact OE2-NH1 3.24Å; E436-R439 IonicContact OE2-NH2 2.79Å; E436-R439 PolarHBondContact OE2-NH2 3.07Å; R437-R439 VanDerWaalsContact C-N 3.31Å |
| 440 | I | 95 | Very high | 86.3 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.2 | 172 | -47.4 | -174.8 | 0 | 0 | 0 | 107.9 | Q422 V423 I425 L465 H467 A469 F627 | Q422-I440 CarbonylContact C-O 3.59Å; Q422-I440 WeakPolarHBondContact CA-O 3.43Å; V423-I440 PolarHBondContact N-O 3.3Å; V423-I440 PolarHBondContact O-N 3.06Å; I425-I440 HydrophobicContact CD1-CD1 3.81Å; I425-I440 HydrophobicContact CG1-CD1 4.36Å; I425-I440 HydrophobicContact CG2-CD1 4.4Å; I440-L465 HydrophobicContact CB-CD2 4.45Å; I440-L465 HydrophobicContact CD1-CD1 4.13Å; I440-L465 HydrophobicContact CG2-CB 4Å; I440-L465 HydrophobicContact CG2-CD1 4.47Å; I440-L465 HydrophobicContact CG2-CD2 4.49Å; I440-H467 HydrophobicContact CG2-CB 4.02Å; I440-A469 HydrophobicContact CD1-CB 3.84Å; I440-F627 HydrophobicContact CB-CD2 4.44Å; I440-F627 HydrophobicContact CB-CE2 4.49Å; I440-F627 HydrophobicContact CD1-CB 3.9Å; I440-F627 HydrophobicContact CD1-CD1 4Å; I440-F627 HydrophobicContact CD1-CD2 4.03Å; I440-F627 HydrophobicContact CD1-CG 3.7Å; I440-F627 HydrophobicContact CG1-CB 4.49Å; I440-F627 HydrophobicContact CG1-CD1 4.1Å; I440-F627 HydrophobicContact CG1-CD2 3.67Å; I440-F627 HydrophobicContact CG1-CE1 4.19Å; I440-F627 HydrophobicContact CG1-CE2 3.77Å; I440-F627 HydrophobicContact CG1-CG 3.82Å; I440-F627 HydrophobicContact CG1-CZ 4.01Å; I440-F627 HydrophobicContact CG2-CD2 4.32Å |
| 441 | G | 95.3 | Very high | 86.9 | Confident | 22 Ų | 22 | 50 Ų | 50 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 151.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L466 | G441-L466 WeakPolarHBondContact O-CB 3.26Å; G441-L466 PolarHBondContact O-N 3.14Å |
| 442 | V | 96.5 | Very high | 87.3 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 133.8 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | F370 P418 C421 V423 F445 I463 | F370-V442 HydrophobicContact CE2-CG2 4.29Å; P418-V442 HydrophobicContact CB-CG1 4.27Å; C421-V442 HydrophobicContact CB-CB 3.83Å; C421-V442 HydrophobicContact CB-CG1 4.47Å; C421-V442 HydrophobicContact CB-CG2 3.78Å; C421-V442 PolarHBondContact O-N 3.46Å; V423-V442 HydrophobicContact CG2-CG2 3.99Å; V442-F445 HydrophobicContact CG1-CD1 4.12Å; V442-I463 HydrophobicContact CB-CG2 4.46Å; V442-I463 HydrophobicContact CG1-CG2 3.84Å; V442-I463 HydrophobicContact CG2-CG2 3.87Å |
| 443 | K | 96.5 | Very high | 87.4 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -44.4 | 178.1 | -173.9 | 171.6 | 179.4 | 176.9 | 0 | 112.1 | R464 L466 V621 K622 | K443-R464 HydrophobicContact CB-CG 4.16Å; K443-R464 WeakPolarHBondContact CB-O 3.36Å; K443-R464 HydrophobicContact CD-CG 4.29Å; K443-R464 PolarHBondContact N-O 2.98Å; K443-L466 HydrophobicContact CB-CB 4.5Å; K443-L466 HydrophobicContact CB-CD1 4.27Å; K443-L466 HydrophobicContact CD-CD1 4.44Å; K443-L466 HydrophobicContact CG-CD1 4.3Å; K443-V621 WeakPolarHBondContact CD-O 3.43Å; K443-V621 VanDerWaalsContact CE-O 3.27Å; K443-V621 WeakPolarHBondContact CE-O 3.39Å; K443-V621 PolarHBondContact NZ-O 3.16Å; K443-V621 VanDerWaalsContact NZ-O 3.08Å; K443-K622 PolarHBondContact NZ-O 2.85Å |
| 444 | S | 96.6 | Very high | 87.6 | Confident | 31 Ų | 31 | 51 Ų | 51 | 22% | 0.217 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 167 | 177.9 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | R464 M620 | S444-R464 PolarHBondContact N-O 2.8Å; S444-R464 PolarHBondContact O-N 2.62Å; S444-R464 WeakPolarHBondContact OG-CB 3.29Å; S444-M620 WeakPolarHBondContact OG-CG 3.45Å; S444-M620 PolarHBondContact OG-SD 3.39Å |
| 445 | F | 95.7 | Very high | 87.5 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 154.2 | 170 | 55.8 | -102 | 0 | 0 | 0 | 111.2 | V407 R415 W416 P418 V442 V462 I463 | V407-F445 HydrophobicContact CB-CD2 3.7Å; V407-F445 HydrophobicContact CB-CE1 4.42Å; V407-F445 HydrophobicContact CB-CE2 3.61Å; V407-F445 HydrophobicContact CB-CG 4.16Å; V407-F445 HydrophobicContact CB-CZ 3.98Å; V407-F445 HydrophobicContact CG1-CB 4.43Å; V407-F445 HydrophobicContact CG1-CD1 4.35Å; V407-F445 HydrophobicContact CG1-CD2 4.05Å; V407-F445 HydrophobicContact CG1-CE2 4.37Å; V407-F445 HydrophobicContact CG1-CG 4.03Å; V407-F445 HydrophobicContact CG2-CD2 3.73Å; V407-F445 HydrophobicContact CG2-CE2 3.81Å; R415-F445 HydrophobicContact CB-CE2 4.16Å; R415-F445 HydrophobicContact CB-CZ 4.16Å; R415-F445 HydrophobicContact CG-CE2 4.13Å; W416-F445 HydrophobicContact CB-CZ 4.43Å; W416-F445 VanDerWaalsContact O-CZ 3.29Å; W416-F445 WeakPolarHBondContact O-CZ 3.31Å; P418-F445 HydrophobicContact CG-CD1 4.31Å; P418-F445 HydrophobicContact CG-CE1 4.01Å; V442-F445 HydrophobicContact CG1-CD1 4.12Å; F445-V462 CarbonylContact C-O 3.55Å; F445-V462 VanDerWaalsContact CA-O 3.24Å; F445-V462 WeakPolarHBondContact CA-O 3.4Å; F445-I463 HydrophobicContact CB-CB 4.45Å; F445-I463 HydrophobicContact CB-CG1 3.85Å |
| 446 | V | 95 | Very high | 87.3 | Confident | 35 Ų | 35 | 53 Ų | 53 | 21% | 0.212 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 123 | -179.3 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | A461 V462 W612 A616 M620 | V446-A461 VanDerWaalsContact O-CA 3.27Å; V446-A461 WeakPolarHBondContact O-CA 3.31Å; V446-V462 PolarHBondContact N-O 3.37Å; V446-V462 PolarHBondContact O-N 2.94Å; V446-W612 HydrophobicContact CG1-CZ2 4.14Å; V446-A616 HydrophobicContact CB-CB 4.11Å; V446-A616 HydrophobicContact CG1-CB 4Å; V446-M620 HydrophobicContact CG2-CE 4.42Å; V446-M620 HydrophobicContact CG2-CG 3.78Å; V446-M620 HydrophobicContact CG2-SD 3.81Å |
| 447 | T | 94.4 | Very high | 87.7 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 151.4 | 171.1 | 62.7 | 0 | 0 | 0 | 0 | 110.2 | A404 V407 R415 A461 W612 | A404-T447 HydrophobicContact CB-CG2 3.92Å; V407-T447 HydrophobicContact CG2-CG2 3.37Å; R415-T447 PolarHBondContact NH2-OG1 3.45Å; T447-A461 HydrophobicContact CG2-CB 4.3Å; T447-W612 VanDerWaalsContact C-CZ2 3.47Å |
| 448 | H | 94.4 | Very high | 88 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | trans | -59.9 | 135.2 | 173.9 | -176.7 | -91.5 | 0 | 0 | 0 | 111.2 | R450 F451 N458 I460 Y609 W612 | H448-R450 PolarHBondContact CE1-NE 3.45Å; H448-R450 PolarHBondContact ND1-N 2.91Å; H448-R450 VanDerWaalsContact ND1-N 3.18Å; H448-R450 PolarHBondContact O-N 3.47Å; H448-F451 VanDerWaalsContact O-CB 3.27Å; H448-F451 WeakPolarHBondContact O-CB 3.46Å; H448-F451 PolarHBondContact O-N 3.02Å; H448-N458 HydrophobicContact CB-CB 4.15Å; H448-N458 PolarHBondContact CE1-OD1 2.03Å; H448-N458 VanDerWaalsContact CE1-OD1 3.25Å; H448-N458 WeakPolarHBondContact ND1-CB 3.2Å; H448-I460 HydrophobicContact CB-CG2 3.81Å; H448-I460 PolarHBondContact N-O 3.15Å; H448-I460 VanDerWaalsContact N-O 3.13Å; H448-Y609 AromaticContact CD2-CD1 3.86Å; H448-Y609 AromaticContact CD2-CE1 3.86Å; H448-Y609 AromaticContact NE2-CE1 3.82Å; H448-W612 VanDerWaalsContact CA-CZ2 3.48Å; H448-W612 HydrophobicContact CB-CD2 4.35Å; H448-W612 HydrophobicContact CB-CH2 4.39Å; H448-W612 HydrophobicContact CB-CZ2 3.96Å; H448-W612 AromaticContact CD2-CD1 3.66Å; H448-W612 AromaticContact CD2-CD2 3.78Å; H448-W612 AromaticContact CD2-CE2 3.96Å; H448-W612 AromaticContact CD2-CG 3.63Å; H448-W612 AromaticContact CD2-NE1 3.83Å; H448-W612 VanDerWaalsContact N-CZ2 3.26Å | ||
| 449 | P | 91.9 | Very high | 88.1 | Confident | 107 Ų | 107 | 46.5 Ų | 46.5 | 70% | 0.695 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -17.7 | -170.7 | 26.3 | -36 | 0 | 0 | 0 | 114.4 | ||
| 450 | R | 91.4 | Very high | 88.2 | Confident | 151 Ų | 151 | 43.7 Ų | 43.7 | 57% | 0.57 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 16.4 | 173.1 | -50.6 | -177.8 | -73.1 | 133.7 | 6.7 | 113.3 | H448 N458 | H448-R450 PolarHBondContact CE1-NE 3.45Å; H448-R450 PolarHBondContact ND1-N 2.91Å; H448-R450 VanDerWaalsContact ND1-N 3.18Å; H448-R450 PolarHBondContact O-N 3.47Å; R450-N458 PolarHBondContact O-ND2 2.85Å |
| 451 | F | 88.4 | Confident | 88.3 | Confident | 28 Ų | 28 | 43.6 Ų | 43.6 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | trans | -74.3 | 134.7 | 169.8 | 178.1 | -120.9 | 0 | 0 | 0 | 110 | A404 L408 H448 D459 | A404-F451 HydrophobicContact CB-CB 4.34Å; A404-F451 HydrophobicContact CB-CD1 3.34Å; A404-F451 HydrophobicContact CB-CD2 4.03Å; A404-F451 HydrophobicContact CB-CE1 3.47Å; A404-F451 VanDerWaalsContact CB-CE1 3.47Å; A404-F451 HydrophobicContact CB-CE2 4.17Å; A404-F451 HydrophobicContact CB-CG 3.63Å; A404-F451 HydrophobicContact CB-CZ 3.9Å; L408-F451 HydrophobicContact CD1-CE1 3.74Å; L408-F451 HydrophobicContact CG-CE1 4.47Å; H448-F451 VanDerWaalsContact O-CB 3.27Å; H448-F451 WeakPolarHBondContact O-CB 3.46Å; H448-F451 PolarHBondContact O-N 3.02Å; F451-D459 HydrophobicContact CD2-CB 4.1Å; F451-D459 HydrophobicContact CE2-CB 3.7Å | ||
| 452 | V | 77.5 | Confident | 88.4 | Confident | 86 Ų | 86 | 42.6 Ų | 42.6 | 52% | 0.521 | 23% | 0.225 | S | C | . | . | trans | -126.3 | 128.4 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 107.3 | D454 S455 | V452-D454 PolarHBondContact O-N 3.43Å; V452-D454 VanDerWaalsContact O-N 3.07Å; V452-S455 PolarHBondContact O-N 2.89Å; V452-S455 VanDerWaalsContact O-O 3.06Å; V452-S455 PolarHBondContact O-OG 3.33Å | ||
| 453 | S | 69.6 | Low | 88.4 | Confident | 46 Ų | 46 | 42.1 Ų | 42.1 | 32% | 0.322 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -34 | -171.1 | 50 | 0 | 0 | 0 | 0 | 114.7 | F413 S455 | F413-S453 VanDerWaalsContact CD1-CB 3.43Å; S453-S455 VanDerWaalsContact C-N 3.26Å; S453-S455 PolarHBondContact O-N 3.47Å |
| 454 | D | 67.8 | Low | 88.5 | Confident | 135 Ų | 135 | 39.1 Ų | 39.1 | 72% | 0.722 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 5.8 | -173.3 | -56.3 | 5.3 | 0 | 0 | 0 | 111.5 | V452 | V452-D454 PolarHBondContact O-N 3.43Å; V452-D454 VanDerWaalsContact O-N 3.07Å |
| 455 | S | 68.5 | Low | 88.5 | Confident | 40 Ų | 40 | 37.7 Ų | 37.7 | 28% | 0.28 | 20% | 0.198 | S | C | . | . | trans | -126.9 | 148.8 | 179.1 | 81.4 | 0 | 0 | 0 | 0 | 111.6 | V452 S453 R457 | V452-S455 PolarHBondContact O-N 2.89Å; V452-S455 VanDerWaalsContact O-O 3.06Å; V452-S455 PolarHBondContact O-OG 3.33Å; S453-S455 VanDerWaalsContact C-N 3.26Å; S453-S455 PolarHBondContact O-N 3.47Å; S455-R457 PolarHBondContact O-N 3.24Å; S455-R457 PolarHBondContact OG-N 3.15Å | ||
| 456 | T | 73.5 | Confident | 88.6 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | trans | -79.1 | -0 | 168.7 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | S590 V593 | T456-S590 WeakPolarHBondContact CB-OG 3.34Å; T456-V593 HydrophobicContact CG2-CG2 3.91Å | ||
| 457 | R | 87.8 | Confident | 88.6 | Confident | 89 Ų | 89 | 40.9 Ų | 40.9 | 34% | 0.336 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 130.5 | -174.3 | -65.1 | -175.2 | 67.8 | -170.2 | 1.9 | 111.4 | S455 D459 E554 F555 | S455-R457 PolarHBondContact O-N 3.24Å; S455-R457 PolarHBondContact OG-N 3.15Å; R457-D459 PolarHBondContact O-N 3.31Å; R457-E554 IonicContact CZ-OE1 3.68Å; R457-E554 IonicContact CZ-OE2 3.64Å; R457-E554 IonicContact NE-OE1 3.74Å; R457-E554 IonicContact NE-OE2 2.76Å; R457-E554 PolarHBondContact NE-OE2 3.09Å; R457-E554 VanDerWaalsContact NH2-CD 3.31Å; R457-E554 IonicContact NH2-OE1 2.89Å; R457-E554 PolarHBondContact NH2-OE1 3.45Å; R457-E554 IonicContact NH2-OE2 2.69Å; R457-E554 PolarHBondContact NH2-OE2 3.38Å; R457-E554 VanDerWaalsContact NH2-OE2 3.1Å; R457-F555 HydrophobicContact CG-CE2 4.08Å; R457-F555 HydrophobicContact CG-CZ 3.91Å |
| 458 | N | 90.7 | Very high | 88.7 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 30.9 | -175.3 | -41.8 | -83.1 | 0 | 0 | 0 | 113.6 | H448 R450 I460 Y609 | H448-N458 HydrophobicContact CB-CB 4.15Å; H448-N458 PolarHBondContact CE1-OD1 2.03Å; H448-N458 VanDerWaalsContact CE1-OD1 3.25Å; H448-N458 WeakPolarHBondContact ND1-CB 3.2Å; R450-N458 PolarHBondContact O-ND2 2.85Å; N458-I460 VanDerWaalsContact C-N 3.26Å; N458-I460 PolarHBondContact O-N 3.45Å; N458-Y609 WeakPolarHBondContact CA-OH 3.32Å; N458-Y609 HydrophobicContact CB-CE1 4.16Å; N458-Y609 WeakPolarHBondContact OD1-CE1 3.37Å; N458-Y609 PolarHBondContact OD1-OH 2.77Å |
| 459 | D | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -74.1 | 80.7 | 177.4 | -170.9 | 11.2 | 0 | 0 | 0 | 110.3 | A403 A404 S405 F451 R457 S590 T591 T604 | A403-D459 WeakPolarHBondContact CB-OD1 2.91Å; A404-D459 WeakPolarHBondContact CA-OD1 2.99Å; A404-D459 WeakPolarHBondContact CB-OD1 3.34Å; A404-D459 PolarHBondContact N-OD1 3.21Å; S405-D459 PolarHBondContact N-OD1 3.16Å; S405-D459 PolarHBondContact OG-OD1 3.06Å; S405-D459 VanDerWaalsContact OG-OD1 3.09Å; S405-D459 PolarHBondContact OG-OD2 2.92Å; F451-D459 HydrophobicContact CD2-CB 4.1Å; F451-D459 HydrophobicContact CE2-CB 3.7Å; R457-D459 PolarHBondContact O-N 3.31Å; D459-S590 VanDerWaalsContact CB-OG 3.3Å; D459-S590 WeakPolarHBondContact CB-OG 3.42Å; D459-S590 WeakPolarHBondContact OD2-CA 3.48Å; D459-S590 WeakPolarHBondContact OD2-CB 3.34Å; D459-S590 PolarHBondContact OD2-OG 2.84Å; D459-T591 PolarHBondContact OD2-N 3.4Å; D459-T604 PolarHBondContact O-OG1 3.28Å; D459-T604 VanDerWaalsContact O-OG1 3.09Å | ||
| 460 | I | 95 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -151.7 | 135.6 | -176.6 | -165.1 | 173.4 | 0 | 0 | 0 | 111.5 | L401 H448 N458 L588 T604 Y609 W612 I613 | L401-I460 HydrophobicContact CD1-CD1 4.1Å; L401-I460 HydrophobicContact CD1-CG1 4.03Å; H448-I460 HydrophobicContact CB-CG2 3.81Å; H448-I460 PolarHBondContact N-O 3.15Å; H448-I460 VanDerWaalsContact N-O 3.13Å; N458-I460 VanDerWaalsContact C-N 3.26Å; N458-I460 PolarHBondContact O-N 3.45Å; I460-L588 HydrophobicContact CG1-CD1 4.43Å; I460-T604 HydrophobicContact CB-CG2 4.28Å; I460-Y609 HydrophobicContact CD1-CD2 4.2Å; I460-Y609 HydrophobicContact CD1-CG 4.04Å; I460-Y609 HydrophobicContact CG2-CD1 4.03Å; I460-Y609 HydrophobicContact CG2-CE1 4.34Å; I460-Y609 HydrophobicContact CG2-CG 4.16Å; I460-W612 HydrophobicContact CB-CZ3 4.3Å; I460-W612 HydrophobicContact CD1-CE3 4.5Å; I460-W612 HydrophobicContact CD1-CZ3 4.13Å; I460-W612 HydrophobicContact CG1-CZ3 3.91Å; I460-W612 HydrophobicContact CG2-CE3 4.02Å; I460-W612 HydrophobicContact CG2-CH2 4.15Å; I460-W612 HydrophobicContact CG2-CZ3 3.66Å; I460-I613 HydrophobicContact CD1-CD1 4.07Å; I460-I613 HydrophobicContact CD1-CG1 4.28Å | ||
| 461 | A | 95.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 144.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T402 A404 V407 V446 T447 | T402-A461 HydrophobicContact CG2-CB 4.31Å; T402-A461 PolarHBondContact N-O 2.91Å; T402-A461 PolarHBondContact O-N 3.36Å; T402-A461 VanDerWaalsContact O-O 3.08Å; A404-A461 HydrophobicContact CB-CB 4.44Å; V407-A461 HydrophobicContact CG1-CB 4.49Å; V407-A461 HydrophobicContact CG2-CB 3.98Å; V446-A461 VanDerWaalsContact O-CA 3.27Å; V446-A461 WeakPolarHBondContact O-CA 3.31Å; T447-A461 HydrophobicContact CG2-CB 4.3Å |
| 462 | V | 97.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.8 | 169.2 | -171.2 | 0 | 0 | 0 | 0 | 108.2 | T399 L401 F445 V446 W612 I613 A616 M620 | T399-V462 HydrophobicContact CG2-CG1 3.37Å; L401-V462 HydrophobicContact CD1-CG2 4.14Å; F445-V462 CarbonylContact C-O 3.55Å; F445-V462 VanDerWaalsContact CA-O 3.24Å; F445-V462 WeakPolarHBondContact CA-O 3.4Å; V446-V462 PolarHBondContact N-O 3.37Å; V446-V462 PolarHBondContact O-N 2.94Å; V462-W612 HydrophobicContact CG2-CH2 3.85Å; V462-W612 HydrophobicContact CG2-CZ3 3.78Å; V462-I613 HydrophobicContact CG2-CB 4.42Å; V462-I613 HydrophobicContact CG2-CG1 4.34Å; V462-I613 HydrophobicContact CG2-CG2 4.11Å; V462-A616 HydrophobicContact CB-CB 4.13Å; V462-A616 HydrophobicContact CG2-CB 3.83Å; V462-M620 HydrophobicContact CB-CE 3.99Å; V462-M620 HydrophobicContact CG1-CE 3.69Å |
| 463 | I | 97.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.3 | 176.4 | -68.7 | 173.5 | 0 | 0 | 0 | 108.9 | F370 T399 V400 T402 V407 V423 V442 F445 L465 | F370-I463 HydrophobicContact CD2-CD1 3.39Å; F370-I463 HydrophobicContact CE2-CD1 3.58Å; F370-I463 HydrophobicContact CG-CD1 4.23Å; T399-I463 WeakPolarHBondContact CA-O 3.42Å; V400-I463 HydrophobicContact CB-CB 4.07Å; V400-I463 HydrophobicContact CB-CG2 4.43Å; V400-I463 HydrophobicContact CG1-CB 4.36Å; V400-I463 HydrophobicContact CG1-CD1 4.46Å; V400-I463 PolarHBondContact N-O 3.19Å; V400-I463 PolarHBondContact O-N 3.41Å; T402-I463 HydrophobicContact CG2-CD1 3.45Å; T402-I463 VanDerWaalsContact CG2-CD1 3.45Å; T402-I463 HydrophobicContact CG2-CG1 4.03Å; V407-I463 HydrophobicContact CG1-CD1 4.11Å; V407-I463 HydrophobicContact CG1-CG1 4.27Å; V423-I463 HydrophobicContact CG2-CG2 4.4Å; V442-I463 HydrophobicContact CB-CG2 4.46Å; V442-I463 HydrophobicContact CG1-CG2 3.84Å; V442-I463 HydrophobicContact CG2-CG2 3.87Å; F445-I463 HydrophobicContact CB-CB 4.45Å; F445-I463 HydrophobicContact CB-CG1 3.85Å; I463-L465 HydrophobicContact CG2-CD2 4.31Å |
| 464 | R | 97.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123.3 | 167.7 | -178.8 | 71.2 | 68.2 | -178.5 | -3.7 | 109.2 | D398 K443 S444 D617 M620 | D398-R464 CarbonylContact O-C 3.58Å; D398-R464 WeakPolarHBondContact O-CA 3.23Å; D398-R464 IonicContact OD1-CZ 3.54Å; D398-R464 IonicContact OD1-NH1 3.4Å; D398-R464 PolarHBondContact OD1-NH1 3.48Å; D398-R464 WeakPolarHBondContact OD2-CD 3.17Å; D398-R464 IonicContact OD2-CZ 3.58Å; D398-R464 IonicContact OD2-NE 3.87Å; D398-R464 IonicContact OD2-NH1 2.98Å; D398-R464 PolarHBondContact OD2-NH1 3.3Å; K443-R464 HydrophobicContact CB-CG 4.16Å; K443-R464 WeakPolarHBondContact CB-O 3.36Å; K443-R464 HydrophobicContact CD-CG 4.29Å; K443-R464 PolarHBondContact N-O 2.98Å; S444-R464 PolarHBondContact N-O 2.8Å; S444-R464 PolarHBondContact O-N 2.62Å; S444-R464 WeakPolarHBondContact OG-CB 3.29Å; R464-D617 IonicContact CZ-OD1 2.68Å; R464-D617 IonicContact CZ-OD2 3.97Å; R464-D617 IonicContact NH1-OD1 2.68Å; R464-D617 IonicContact NH1-OD2 2.64Å; R464-D617 PolarHBondContact NH2-O 2.77Å; R464-D617 IonicContact NH2-OD1 2.9Å; R464-D617 PolarHBondContact NH2-OD1 3.47Å; R464-D617 IonicContact NH2-OD2 2.81Å; R464-D617 PolarHBondContact NH2-OD2 2.96Å; R464-M620 HydrophobicContact CB-CB 4.16Å; R464-M620 HydrophobicContact CB-CE 4.01Å; R464-M620 HydrophobicContact CB-SD 3.62Å; R464-M620 HydrophobicContact CG-CB 4.37Å; R464-M620 PolarHBondContact NH2-O 3.11Å |
| 465 | L | 97.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 154.7 | 174.6 | -59.1 | -179.3 | 0 | 0 | 0 | 111.3 | L388 D398 V400 V423 I440 I463 H467 A469 | L388-L465 HydrophobicContact CD2-CD1 4.45Å; D398-L465 HydrophobicContact CB-CB 4.29Å; D398-L465 PolarHBondContact O-N 3.21Å; V400-L465 HydrophobicContact CG2-CD1 4.13Å; V400-L465 HydrophobicContact CG2-CD2 4.18Å; V400-L465 HydrophobicContact CG2-CG 4.23Å; V423-L465 HydrophobicContact CB-CD2 3.76Å; V423-L465 HydrophobicContact CG1-CD2 4.35Å; V423-L465 HydrophobicContact CG2-CD2 3.74Å; I440-L465 HydrophobicContact CB-CD2 4.45Å; I440-L465 HydrophobicContact CD1-CD1 4.13Å; I440-L465 HydrophobicContact CG2-CB 4Å; I440-L465 HydrophobicContact CG2-CD1 4.47Å; I440-L465 HydrophobicContact CG2-CD2 4.49Å; I463-L465 HydrophobicContact CG2-CD2 4.31Å; L465-H467 VanDerWaalsContact C-N 3.34Å; L465-H467 VanDerWaalsContact CB-O 3.29Å; L465-H467 WeakPolarHBondContact CB-O 3.38Å; L465-A469 HydrophobicContact CD1-CB 4.38Å |
| 466 | L | 96.4 | Very high | 92.5 | Very high | 78 Ų | 78 | 21.7 Ų | 21.7 | 41% | 0.408 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -30.9 | 176.1 | -171 | 63.9 | 0 | 0 | 0 | 112.4 | G441 K443 | G441-L466 WeakPolarHBondContact O-CB 3.26Å; G441-L466 PolarHBondContact O-N 3.14Å; K443-L466 HydrophobicContact CB-CB 4.5Å; K443-L466 HydrophobicContact CB-CD1 4.27Å; K443-L466 HydrophobicContact CD-CD1 4.44Å; K443-L466 HydrophobicContact CG-CD1 4.3Å |
| 467 | H | 96 | Very high | 93.6 | Very high | 46 Ų | 46 | 20.9 Ų | 20.9 | 21% | 0.213 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.7 | 176.2 | -56.9 | 80.8 | 0 | 0 | 0 | 109.5 | I440 L465 A469 Q625 F627 | I440-H467 HydrophobicContact CG2-CB 4.02Å; L465-H467 VanDerWaalsContact C-N 3.34Å; L465-H467 VanDerWaalsContact CB-O 3.29Å; L465-H467 WeakPolarHBondContact CB-O 3.38Å; H467-A469 PolarHBondContact O-N 3.17Å; H467-Q625 CarbonylContact C-O 3.56Å; H467-Q625 VanDerWaalsContact CA-O 3.28Å; H467-Q625 WeakPolarHBondContact CA-O 3.37Å; H467-F627 HydrophobicContact CB-CB 3.93Å; H467-F627 HydrophobicContact CB-CD2 4.23Å |
| 468 | Y | 96.4 | Very high | 94 | Very high | 44 Ų | 44 | 16.7 Ų | 16.7 | 17% | 0.173 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 127.9 | 168.6 | -69.2 | -81.9 | 0 | 0 | 0 | 109.8 | Q396 T397 D398 P470 A623 Q625 F627 | Q396-Y468 HydrophobicContact CG-CD1 3.88Å; Q396-Y468 HydrophobicContact CG-CG 4.04Å; T397-Y468 CarbonylContact O-C 3.58Å; D398-Y468 HydrophobicContact CB-CD1 3.58Å; D398-Y468 HydrophobicContact CB-CE1 3.88Å; D398-Y468 HydrophobicContact CB-CG 4.15Å; D398-Y468 WeakPolarHBondContact OD1-CE1 3.46Å; Y468-P470 VanDerWaalsContact O-CD 3.22Å; Y468-P470 WeakPolarHBondContact O-CD 3.38Å; Y468-A623 HydrophobicContact CD1-CB 4.46Å; Y468-A623 HydrophobicContact CD2-CB 3.73Å; Y468-A623 HydrophobicContact CE1-CB 4.49Å; Y468-A623 HydrophobicContact CE2-CB 3.78Å; Y468-A623 WeakPolarHBondContact CE2-O 3.4Å; Y468-A623 HydrophobicContact CG-CB 4.07Å; Y468-A623 PolarHBondContact OH-O 3.28Å; Y468-Q625 PolarHBondContact N-O 3.02Å; Y468-F627 VanDerWaalsContact O-CB 3.24Å; Y468-F627 WeakPolarHBondContact O-CB 3.33Å; Y468-F627 PolarHBondContact O-N 2.82Å |
| 469 | A | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 113.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | L388 Q396 T397 I425 I440 L465 H467 | L388-A469 HydrophobicContact CD2-CB 4.11Å; Q396-A469 CarbonylContact C-O 3.45Å; Q396-A469 WeakPolarHBondContact CA-O 3.28Å; Q396-A469 WeakPolarHBondContact CB-O 3.45Å; T397-A469 PolarHBondContact N-O 2.98Å; T397-A469 WeakPolarHBondContact O-CB 3.47Å; T397-A469 PolarHBondContact O-N 2.86Å; I425-A469 HydrophobicContact CD1-CB 3.86Å; I440-A469 HydrophobicContact CD1-CB 3.84Å; L465-A469 HydrophobicContact CD1-CB 4.38Å; H467-A469 PolarHBondContact O-N 3.17Å |
| 470 | P | 92.3 | Very high | 94.6 | Very high | 13 Ų | 13 | 18.5 Ų | 18.5 | 8% | 0.084 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 149.9 | 171.4 | 25 | -31.5 | 0 | 0 | 0 | 111.4 | Y468 S475 L626 I632 | Y468-P470 VanDerWaalsContact O-CD 3.22Å; Y468-P470 WeakPolarHBondContact O-CD 3.38Å; P470-S475 PolarHBondContact O-OG 3.41Å; P470-L626 HydrophobicContact CB-CD1 3.98Å; P470-L626 HydrophobicContact CB-CD2 4.45Å; P470-L626 HydrophobicContact CB-CG 4.41Å; P470-L626 HydrophobicContact CG-CD1 4.24Å; P470-L626 HydrophobicContact CG-CG 4.33Å; P470-I632 HydrophobicContact CG-CD1 3.58Å |
| 471 | F | 91.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 18.7 Ų | 18.7 | 5% | 0.053 | 9% | 0.093 | C | C | . | . | trans | -83.2 | 136.7 | 173.5 | -58.3 | -25.5 | 0 | 0 | 0 | 110.7 | F332 A390 G394 N395 Q396 T397 S475 P477 | F332-F471 HydrophobicContact CB-CB 3.92Å; F332-F471 HydrophobicContact CB-CD2 3.88Å; F332-F471 HydrophobicContact CB-CG 4.3Å; F332-F471 HydrophobicContact CD1-CB 4.39Å; F332-F471 HydrophobicContact CD2-CB 3.49Å; F332-F471 VanDerWaalsContact CD2-CB 3.49Å; F332-F471 HydrophobicContact CE2-CB 4.03Å; F332-F471 WeakPolarHBondContact CE2-O 3.33Å; F332-F471 HydrophobicContact CG-CB 3.69Å; A390-F471 HydrophobicContact CB-CZ 4.2Å; G394-F471 WeakPolarHBondContact O-CD2 3.49Å; G394-F471 WeakPolarHBondContact O-CE2 3.29Å; N395-F471 PolarHBondContact O-N 3.08Å; Q396-F471 WeakPolarHBondContact O-CZ 3.42Å; T397-F471 HydrophobicContact CG2-CE1 3.69Å; T397-F471 HydrophobicContact CG2-CZ 4.07Å; F471-S475 CarbonylContact C-O 3.52Å; F471-S475 VanDerWaalsContact CA-O 3.24Å; F471-S475 WeakPolarHBondContact CA-O 3.13Å; F471-P477 HydrophobicContact CD2-CG 4.41Å; F471-P477 HydrophobicContact CE1-CB 4.22Å; F471-P477 HydrophobicContact CE1-CG 3.93Å; F471-P477 HydrophobicContact CE2-CG 3.76Å; F471-P477 HydrophobicContact CZ-CB 4Å; F471-P477 HydrophobicContact CZ-CG 3.49Å; F471-P477 VanDerWaalsContact CZ-CG 3.49Å | ||
| 472 | T | 88.7 | Confident | 94.7 | Very high | 32 Ų | 32 | 25 Ų | 25 | 20% | 0.196 | 12% | 0.123 | C | C | . | . | trans | -140.9 | -172.4 | -177 | 74.9 | 0 | 0 | 0 | 0 | 109.5 | I474 S475 K476 | T472-I474 PolarHBondContact O-N 3.41Å; T472-I474 PolarHBondContact OG1-N 3.42Å; T472-I474 VanDerWaalsContact OG1-N 3.14Å; T472-S475 PolarHBondContact N-O 2.88Å; T472-S475 PolarHBondContact OG1-N 2.9Å; T472-S475 VanDerWaalsContact OG1-N 3.09Å; T472-K476 VanDerWaalsContact O-CE 3.24Å; T472-K476 WeakPolarHBondContact O-CE 3.42Å; T472-K476 WeakPolarHBondContact O-CG 3.32Å | ||
| 473 | E | 85.9 | Confident | 94.7 | Very high | 81 Ų | 81 | 27.9 Ų | 27.9 | 38% | 0.379 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -67.3 | -20 | 172.2 | -61.1 | -171.2 | 146.3 | 0 | 0 | 113.4 | S338 K340 F341 | S338-E473 WeakPolarHBondContact CB-O 3.43Å; K340-E473 WeakPolarHBondContact CD-OE2 3.1Å; K340-E473 VanDerWaalsContact CE-OE1 3.32Å; K340-E473 WeakPolarHBondContact CE-OE1 3.27Å; K340-E473 IonicContact NZ-OE1 2.85Å; K340-E473 PolarHBondContact NZ-OE1 3.25Å; K340-E473 IonicContact NZ-OE2 3.47Å; K340-E473 PolarHBondContact NZ-OE2 2.98Å; F341-E473 HydrophobicContact CE2-CB 4.3Å |
| 474 | I | 88.6 | Confident | 94.4 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 8% | 0.082 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -121.3 | -2.6 | -173.1 | 71.7 | 169 | 0 | 0 | 0 | 114.1 | F341 H362 P365 A426 T472 I632 | F341-I474 HydrophobicContact CD2-CG2 3.99Å; F341-I474 HydrophobicContact CE2-CG2 3.52Å; F341-I474 HydrophobicContact CZ-CG2 4.23Å; H362-I474 HydrophobicContact CB-CB 3.86Å; H362-I474 HydrophobicContact CB-CG2 3.6Å; H362-I474 VanDerWaalsContact CG-CG2 3.43Å; P365-I474 WeakPolarHBondContact CA-O 3.45Å; P365-I474 VanDerWaalsContact CB-C 3.48Å; P365-I474 WeakPolarHBondContact CB-O 3.49Å; A426-I474 HydrophobicContact CB-CB 4.47Å; A426-I474 HydrophobicContact CB-CD1 3.87Å; A426-I474 HydrophobicContact CB-CG1 3.84Å; A426-I474 WeakPolarHBondContact CB-O 3.29Å; T472-I474 PolarHBondContact O-N 3.41Å; T472-I474 PolarHBondContact OG1-N 3.42Å; T472-I474 VanDerWaalsContact OG1-N 3.14Å; I474-I632 WeakPolarHBondContact CD1-O 3.31Å; I474-I632 HydrophobicContact CG1-CG2 4.34Å |
| 475 | S | 92.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -134.4 | 110.2 | 177.8 | 173.1 | 0 | 0 | 0 | 0 | 108.1 | P365 P470 F471 T472 | P365-S475 CarbonylContact O-C 3.59Å; P365-S475 WeakPolarHBondContact O-CA 3.04Å; P470-S475 PolarHBondContact O-OG 3.41Å; F471-S475 CarbonylContact C-O 3.52Å; F471-S475 VanDerWaalsContact CA-O 3.24Å; F471-S475 WeakPolarHBondContact CA-O 3.13Å; T472-S475 PolarHBondContact N-O 2.88Å; T472-S475 PolarHBondContact OG1-N 2.9Å; T472-S475 VanDerWaalsContact OG1-N 3.09Å | ||
| 476 | K | 93.5 | Very high | 94.1 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | trans | -150.3 | 156.7 | -176.5 | -67.1 | -166.5 | -173.7 | -170.8 | 0 | 110.8 | F332 V336 P365 W366 T472 | F332-K476 HydrophobicContact CD1-CD 4.24Å; F332-K476 HydrophobicContact CD1-CG 4.49Å; V336-K476 WeakPolarHBondContact O-CD 3.14Å; V336-K476 PolarHBondContact O-NZ 2.92Å; P365-K476 CarbonylContact C-O 3.51Å; P365-K476 HydrophobicContact CB-CB 4.12Å; P365-K476 HydrophobicContact CB-CG 4.34Å; P365-K476 HydrophobicContact CG-CB 4.01Å; P365-K476 HydrophobicContact CG-CD 4.48Å; P365-K476 HydrophobicContact CG-CG 4.34Å; P365-K476 PolarHBondContact O-N 2.83Å; W366-K476 WeakPolarHBondContact CA-O 3.19Å; W366-K476 VanDerWaalsContact CB-O 3.28Å; W366-K476 WeakPolarHBondContact CB-O 3.47Å; W366-K476 PolarHBondContact N-O 3.37Å; T472-K476 VanDerWaalsContact O-CE 3.24Å; T472-K476 WeakPolarHBondContact O-CE 3.42Å; T472-K476 WeakPolarHBondContact O-CG 3.32Å | ||
| 477 | P | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -80.1 | 149.2 | 177.9 | 33.2 | -31.2 | 0 | 0 | 0 | 111.7 | C334 G335 L388 A390 F471 | C334-P477 CarbonylContact C-O 3.57Å; C334-P477 WeakPolarHBondContact CA-O 3.32Å; C334-P477 HydrophobicContact CB-CG 4.11Å; G335-P477 PolarHBondContact N-O 2.84Å; L388-P477 CarbonylContact O-C 3.55Å; L388-P477 VanDerWaalsContact O-CA 3.25Å; L388-P477 WeakPolarHBondContact O-CA 3.49Å; A390-P477 HydrophobicContact CB-CB 3.7Å; A390-P477 HydrophobicContact CB-CG 3.79Å; F471-P477 HydrophobicContact CD2-CG 4.41Å; F471-P477 HydrophobicContact CE1-CB 4.22Å; F471-P477 HydrophobicContact CE1-CG 3.93Å; F471-P477 HydrophobicContact CE2-CG 3.76Å; F471-P477 HydrophobicContact CZ-CB 4Å; F471-P477 HydrophobicContact CZ-CG 3.49Å; F471-P477 VanDerWaalsContact CZ-CG 3.49Å |
| 478 | I | 97.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -79.4 | 151 | 163.6 | -167.7 | 61.5 | 0 | 0 | 0 | 109.5 | W366 T387 L388 I389 V576 W583 Q585 | W366-I478 HydrophobicContact CB-CB 3.85Å; W366-I478 HydrophobicContact CD2-CB 4.17Å; W366-I478 HydrophobicContact CD2-CD1 3.72Å; W366-I478 HydrophobicContact CD2-CG1 4.44Å; W366-I478 HydrophobicContact CE3-CD1 4.02Å; W366-I478 HydrophobicContact CG-CB 3.81Å; W366-I478 HydrophobicContact CG-CD1 4.16Å; W366-I478 HydrophobicContact CG-CG1 4.39Å; W366-I478 HydrophobicContact CH2-CD1 4.26Å; W366-I478 HydrophobicContact CZ2-CD1 3.99Å; W366-I478 HydrophobicContact CZ3-CD1 4.28Å; T387-I478 HydrophobicContact CG2-CG2 4.15Å; L388-I478 PolarHBondContact O-N 3.19Å; I389-I478 HydrophobicContact CG2-CG2 3.86Å; I478-V576 HydrophobicContact CD1-CB 4.32Å; I478-V576 HydrophobicContact CD1-CG1 3.82Å; I478-V576 HydrophobicContact CG1-CG1 3.91Å; I478-W583 HydrophobicContact CD1-CB 3.58Å; I478-W583 WeakPolarHBondContact CD1-O 3.43Å; I478-Q585 HydrophobicContact CG1-CB 3.86Å; I478-Q585 HydrophobicContact CG2-CB 4.01Å |
| 479 | C | 97.5 | Very high | 93.7 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -75.4 | 144.5 | 170.9 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | C334 W583 V584 Q585 | C334-C479 HydrophobicContact CB-CB 3.99Å; C334-C479 WeakPolarHBondContact CB-SG 3.44Å; C334-C479 PolarHBondContact O-SG 3.32Å; C334-C479 WeakPolarHBondContact SG-CA 3.45Å; C334-C479 WeakPolarHBondContact SG-CB 3.46Å; C334-C479 CovalentContact SG-SG 2.05Å; C334-C479 PolarHBondContact SG-SG 2.82Å; C479-W583 WeakPolarHBondContact CB-O 3.28Å; C479-W583 PolarHBondContact N-O 3.11Å; C479-V584 HydrophobicContact CB-CG2 4.03Å; C479-V584 WeakPolarHBondContact O-CA 3.21Å; C479-Q585 PolarHBondContact O-N 2.89Å |
| 480 | L | 97.5 | Very high | 93.5 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 17% | 0.173 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -92.2 | 147.1 | 166.5 | -66.4 | 178.2 | 0 | 0 | 0 | 110.4 | I389 L391 L401 V606 I610 I613 | I389-L480 HydrophobicContact CB-CD1 4.49Å; I389-L480 HydrophobicContact CD1-CD1 4.1Å; I389-L480 HydrophobicContact CG2-CD2 3.95Å; I389-L480 HydrophobicContact CG2-CG 4.32Å; L391-L480 HydrophobicContact CD2-CD1 3.7Å; L401-L480 HydrophobicContact CD2-CD2 4.1Å; L480-V606 HydrophobicContact CD2-CG1 3.94Å; L480-I610 HydrophobicContact CB-CD1 3.97Å; L480-I610 HydrophobicContact CD1-CD1 4.42Å; L480-I613 HydrophobicContact CD1-CG2 4.35Å |
| 481 | P | 97.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 164.2 | 174.7 | 29.1 | -35.7 | 0 | 0 | 0 | 111.7 | E485 V584 Q585 Y586 V606 I610 | P481-E485 WeakPolarHBondContact CA-OE2 3.19Å; P481-E485 HydrophobicContact CB-CB 4.11Å; P481-V584 HydrophobicContact CB-CG1 3.86Å; P481-V584 HydrophobicContact CG-CG1 4.38Å; P481-Q585 WeakPolarHBondContact CD-O 3.27Å; P481-Y586 HydrophobicContact CB-CD1 3.73Å; P481-Y586 HydrophobicContact CB-CE1 3.69Å; P481-Y586 HydrophobicContact CG-CD1 4.17Å; P481-V606 HydrophobicContact CG-CB 4.46Å; P481-V606 HydrophobicContact CG-CG1 4.35Å; P481-I610 HydrophobicContact CG-CD1 4.15Å; P481-I610 VanDerWaalsContact O-CD1 3.28Å; P481-I610 WeakPolarHBondContact O-CD1 3.45Å; P481-I610 WeakPolarHBondContact O-CG1 3.11Å |
| 482 | Q | 95.8 | Very high | 93.4 | Very high | 132 Ų | 132 | 50.1 Ų | 50.1 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 154.5 | 168.3 | -60.3 | -58 | -30.9 | 0 | 0 | 110.9 | G484 E485 S607 | Q482-G484 PolarHBondContact O-N 2.82Å; Q482-G484 VanDerWaalsContact O-N 3.14Å; Q482-E485 HydrophobicContact CB-CB 4.21Å; Q482-E485 PolarHBondContact N-OE2 3.12Å; Q482-E485 VanDerWaalsContact O-CB 3.31Å; Q482-E485 WeakPolarHBondContact O-CB 3.38Å; Q482-E485 PolarHBondContact O-N 3.08Å; Q482-S607 WeakPolarHBondContact O-CB 3.14Å |
| 483 | P | 96.1 | Very high | 93.6 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 120.3 | 175.9 | -24.1 | 33.4 | 0 | 0 | 0 | 111.8 | E485 S607 I610 | P483-E485 VanDerWaalsContact C-N 3.29Å; P483-E485 PolarHBondContact O-N 3.06Å; P483-S607 WeakPolarHBondContact CA-O 3.39Å; P483-I610 HydrophobicContact CG-CB 4.12Å; P483-I610 HydrophobicContact CG-CG2 3.9Å |
| 484 | G | 93 | Very high | 93.7 | Very high | 50 Ų | 50 | 44.8 Ų | 44.8 | 52% | 0.515 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 11.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116 | Q482 K486 S607 | Q482-G484 PolarHBondContact O-N 2.82Å; Q482-G484 VanDerWaalsContact O-N 3.14Å; G484-K486 PolarHBondContact O-N 3.13Å; G484-S607 PolarHBondContact N-O 3.25Å |
| 485 | E | 95.1 | Very high | 93.7 | Very high | 54 Ų | 54 | 44 Ų | 44 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 129.8 | 174 | -164.1 | 179.8 | 159.5 | 0 | 0 | 110.6 | P481 Q482 P483 Y586 S607 | P481-E485 WeakPolarHBondContact CA-OE2 3.19Å; P481-E485 HydrophobicContact CB-CB 4.11Å; Q482-E485 HydrophobicContact CB-CB 4.21Å; Q482-E485 PolarHBondContact N-OE2 3.12Å; Q482-E485 VanDerWaalsContact O-CB 3.31Å; Q482-E485 WeakPolarHBondContact O-CB 3.38Å; Q482-E485 PolarHBondContact O-N 3.08Å; P483-E485 VanDerWaalsContact C-N 3.29Å; P483-E485 PolarHBondContact O-N 3.06Å; E485-Y586 HydrophobicContact CB-CE1 4.25Å; E485-Y586 HydrophobicContact CG-CE1 3.93Å; E485-Y586 PolarHBondContact OE1-OH 3.14Å; E485-S607 WeakPolarHBondContact O-CB 3.33Å; E485-S607 PolarHBondContact O-OG 3.06Å |
| 486 | K | 92.1 | Very high | 93.5 | Very high | 151 Ų | 151 | 44.1 Ų | 44.1 | 66% | 0.657 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -101.9 | 140 | 178.2 | -65.6 | -162.2 | 177.4 | -161.7 | 0 | 110.8 | G484 E552 | G484-K486 PolarHBondContact O-N 3.13Å; K486-E552 IonicContact NZ-OE1 2.7Å; K486-E552 PolarHBondContact NZ-OE1 3.07Å |
| 487 | I | 92.8 | Very high | 93.2 | Very high | 25 Ų | 25 | 43.2 Ų | 43.2 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 136.3 | 171.4 | -37 | 160.5 | 0 | 0 | 0 | 109 | T491 V536 I556 Y586 | I487-T491 HydrophobicContact CG2-CG2 3.75Å; I487-V536 HydrophobicContact CB-CG1 4.48Å; I487-V536 HydrophobicContact CB-CG2 4.11Å; I487-V536 HydrophobicContact CD1-CG2 3.79Å; I487-V536 HydrophobicContact CG2-CG2 3.84Å; I487-I556 HydrophobicContact CD1-CD1 4Å; I487-I556 HydrophobicContact CD1-CG1 4.43Å; I487-I556 HydrophobicContact CD1-CG2 4.1Å; I487-Y586 HydrophobicContact CD1-CD1 4.23Å; I487-Y586 HydrophobicContact CD1-CD2 4.18Å; I487-Y586 HydrophobicContact CD1-CG 3.76Å; I487-Y586 HydrophobicContact CG1-CD1 3.57Å; I487-Y586 HydrophobicContact CG1-CD2 3.96Å; I487-Y586 HydrophobicContact CG1-CE1 4.01Å; I487-Y586 HydrophobicContact CG1-CE2 4.33Å; I487-Y586 HydrophobicContact CG1-CG 3.55Å |
| 488 | P | 94.1 | Very high | 92.4 | Very high | 90 Ų | 90 | 43.8 Ų | 43.8 | 58% | 0.584 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -61 | 137.1 | 169.6 | -22.1 | 33.2 | 0 | 0 | 0 | 112.1 | T491 | P488-T491 VanDerWaalsContact O-CB 3.22Å; P488-T491 WeakPolarHBondContact O-CB 3.3Å; P488-T491 PolarHBondContact O-N 3.36Å; P488-T491 VanDerWaalsContact O-N 3.15Å; P488-T491 PolarHBondContact O-OG1 3.03Å |
| 489 | V | 93.7 | Very high | 90.9 | Very high | 94 Ų | 94 | 44.2 Ų | 44.2 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 140.5 | 169.3 | 170 | 0 | 0 | 0 | 0 | 110.1 | T491 P538 | V489-T491 VanDerWaalsContact C-N 3.27Å; V489-T491 PolarHBondContact O-N 3.37Å; V489-P538 HydrophobicContact CG1-CG 3.8Å |
| 490 | G | 90.9 | Very high | 89.1 | Confident | 48 Ų | 48 | 48.2 Ų | 48.2 | 50% | 0.495 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -3.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E492 V536 | G490-E492 PolarHBondContact O-N 3.44Å; G490-V536 PolarHBondContact N-O 2.93Å |
| 491 | T | 93.5 | Very high | 86.9 | Confident | 34 Ų | 34 | 49 Ų | 49 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | trans | -62.4 | 125.1 | 173.9 | -62.2 | 0 | 0 | 0 | 0 | 110.1 | I487 P488 V489 S535 V536 C577 | I487-T491 HydrophobicContact CG2-CG2 3.75Å; P488-T491 VanDerWaalsContact O-CB 3.22Å; P488-T491 WeakPolarHBondContact O-CB 3.3Å; P488-T491 PolarHBondContact O-N 3.36Å; P488-T491 VanDerWaalsContact O-N 3.15Å; P488-T491 PolarHBondContact O-OG1 3.03Å; V489-T491 VanDerWaalsContact C-N 3.27Å; V489-T491 PolarHBondContact O-N 3.37Å; T491-S535 WeakPolarHBondContact O-CA 3.43Å; T491-V536 PolarHBondContact O-N 3.41Å; T491-C577 HydrophobicContact CG2-CB 4.17Å | ||
| 492 | E | 89.4 | Confident | 84.6 | Confident | 116 Ų | 116 | 51.5 Ų | 51.5 | 54% | 0.542 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 130.5 | 172.2 | -65.9 | -172.5 | 122.8 | 0 | 0 | 110.9 | M345 G490 I533 | M345-E492 HydrophobicContact CE-CB 4.47Å; G490-E492 PolarHBondContact O-N 3.44Å; E492-I533 HydrophobicContact CB-CG2 4.02Å; E492-I533 HydrophobicContact CG-CG2 4.17Å |
| 493 | C | 91.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 150.7 | -179.3 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | I533 V534 L575 V576 C577 | C493-I533 WeakPolarHBondContact O-CA 3.48Å; C493-V534 PolarHBondContact N-O 2.92Å; C493-V534 PolarHBondContact O-N 3.47Å; C493-L575 HydrophobicContact CB-CD1 3.54Å; C493-L575 HydrophobicContact CB-CG 4.04Å; C493-V576 CarbonylContact C-O 3.57Å; C493-V576 VanDerWaalsContact CA-O 3.32Å; C493-V576 WeakPolarHBondContact CA-O 3.39Å; C493-V576 WeakPolarHBondContact CB-O 3.24Å; C493-C577 HydrophobicContact CB-CB 4.03Å; C493-C577 WeakPolarHBondContact CB-SG 3.29Å; C493-C577 WeakPolarHBondContact SG-CB 3.49Å; C493-C577 CovalentContact SG-SG 2.04Å; C493-C577 PolarHBondContact SG-SG 2.62Å |
| 494 | I | 89.3 | Confident | 79.9 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 135.6 | 173.8 | -59.9 | 166.7 | 0 | 0 | 0 | 109.5 | I343 M345 A496 M531 T532 L575 V576 W583 | I343-I494 HydrophobicContact CG2-CD1 3.49Å; I343-I494 VanDerWaalsContact CG2-CD1 3.49Å; M345-I494 HydrophobicContact CE-CG1 4.14Å; M345-I494 HydrophobicContact SD-CD1 3.58Å; M345-I494 VanDerWaalsContact SD-CD1 3.58Å; M345-I494 HydrophobicContact SD-CG1 3.57Å; M345-I494 VanDerWaalsContact SD-CG1 3.57Å; I494-A496 HydrophobicContact CG2-CB 4.29Å; I494-M531 HydrophobicContact CD1-CE 3.75Å; I494-M531 HydrophobicContact CG1-CE 3.94Å; I494-M531 HydrophobicContact CG2-CB 3.94Å; I494-M531 HydrophobicContact CG2-CE 3.89Å; I494-T532 WeakPolarHBondContact CA-O 3.41Å; I494-L575 WeakPolarHBondContact O-CA 3.38Å; I494-V576 HydrophobicContact CB-CG2 3.75Å; I494-V576 HydrophobicContact CD1-CG2 4.4Å; I494-V576 HydrophobicContact CG2-CG2 4.39Å; I494-V576 PolarHBondContact N-O 3.03Å; I494-V576 PolarHBondContact O-N 3.18Å; I494-W583 HydrophobicContact CD1-CE3 4.2Å; I494-W583 HydrophobicContact CD1-CH2 3.41Å; I494-W583 VanDerWaalsContact CD1-CH2 3.41Å; I494-W583 HydrophobicContact CD1-CZ2 3.97Å; I494-W583 HydrophobicContact CD1-CZ3 3.54Å; I494-W583 HydrophobicContact CG1-CH2 4.02Å; I494-W583 HydrophobicContact CG1-CZ3 3.92Å |
| 495 | V | 88.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.6 | 162 | -178 | 0 | 0 | 0 | 0 | 107.1 | M531 T532 V534 F566 L575 I589 Y603 | V495-M531 CarbonylContact O-C 3.39Å; V495-M531 WeakPolarHBondContact O-CA 3.27Å; V495-T532 HydrophobicContact CB-CG2 3.97Å; V495-T532 PolarHBondContact N-O 2.95Å; V495-T532 PolarHBondContact O-N 3.04Å; V495-V534 HydrophobicContact CG2-CG1 4.26Å; V495-V534 HydrophobicContact CG2-CG2 3.62Å; V495-F566 HydrophobicContact CG1-CB 4.13Å; V495-L575 HydrophobicContact CG2-CD1 3.52Å; V495-I589 HydrophobicContact CG1-CD1 3.63Å; V495-I589 HydrophobicContact CG1-CG1 4.32Å; V495-Y603 HydrophobicContact CG1-CE1 4.4Å; V495-Y603 HydrophobicContact CG2-CE1 3.94Å; V495-Y603 WeakPolarHBondContact CG2-OH 3.39Å |
| 496 | A | 88.4 | Confident | 74.7 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 149.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L364 M367 I494 L529 A530 M531 | L364-A496 HydrophobicContact CD1-CB 3.51Å; M367-A496 HydrophobicContact CE-CB 4.15Å; M367-A496 VanDerWaalsContact CE-O 3.29Å; M367-A496 WeakPolarHBondContact CE-O 3.36Å; M367-A496 HydrophobicContact SD-CB 4.12Å; I494-A496 HydrophobicContact CG2-CB 4.29Å; A496-L529 HydrophobicContact CB-CD1 4.48Å; A496-A530 VanDerWaalsContact CA-O 3.26Å; A496-A530 WeakPolarHBondContact CA-O 3.45Å; A496-A530 WeakPolarHBondContact CB-O 3.43Å; A496-M531 HydrophobicContact CB-CB 4.05Å |
| 497 | G | 86.6 | Confident | 72.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | -174.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A530 D570 | G497-A530 PolarHBondContact N-O 2.86Å; G497-A530 PolarHBondContact O-N 3.15Å; G497-D570 WeakPolarHBondContact CA-OD1 3.45Å |
| 498 | W | 80.9 | Confident | 69.6 | Low | 13 Ų | 13 | 57.7 Ų | 57.7 | 5% | 0.049 | 32% | 0.324 | C | S | . | . | trans | -121.6 | 24.1 | 177.6 | -59 | -95.4 | 0 | 0 | 0 | 111.1 | M367 V368 L369 V427 Q428 Q430 L529 D570 | M367-W498 HydrophobicContact CB-CH2 3.88Å; M367-W498 HydrophobicContact CE-CH2 4.38Å; M367-W498 HydrophobicContact CE-CZ3 3.94Å; V368-W498 VanDerWaalsContact O-CZ3 3.31Å; V368-W498 WeakPolarHBondContact O-CZ3 3.28Å; L369-W498 HydrophobicContact CB-CE3 4.37Å; L369-W498 HydrophobicContact CB-CH2 4.2Å; L369-W498 HydrophobicContact CB-CZ3 4.09Å; L369-W498 HydrophobicContact CD1-CD2 4.33Å; L369-W498 HydrophobicContact CD1-CE3 3.95Å; L369-W498 HydrophobicContact CD1-CZ3 4.41Å; V427-W498 WeakPolarHBondContact O-CZ2 3.38Å; Q428-W498 PolarHBondContact O-NE1 3.18Å; Q430-W498 HydrophobicContact CG-CB 4.38Å; Q430-W498 HydrophobicContact CG-CG 4.02Å; W498-L529 HydrophobicContact CD2-CD1 3.99Å; W498-L529 HydrophobicContact CE3-CD1 4.24Å; W498-L529 HydrophobicContact CH2-CD1 4.11Å; W498-L529 HydrophobicContact CZ2-CB 4.19Å; W498-L529 HydrophobicContact CZ2-CD1 3.84Å; W498-L529 HydrophobicContact CZ2-CD2 4.39Å; W498-L529 HydrophobicContact CZ2-CG 4.36Å; W498-L529 HydrophobicContact CZ3-CD1 4.29Å; W498-D570 PolarHBondContact N-OD1 3.06Å | ||
| 499 | G | 65.9 | Low | 67 | Low | 10 Ų | 10 | 56.4 Ų | 56.4 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | trans | -70.5 | 175 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D568 D570 | G499-D568 CarbonylContact C-O 3.52Å; G499-D568 WeakPolarHBondContact CA-O 3.46Å; G499-D570 VanDerWaalsContact CA-OD1 3.27Å; G499-D570 WeakPolarHBondContact CA-OD1 3.29Å; G499-D570 PolarHBondContact N-OD1 3.16Å | ||
| 500 | Y | 58.9 | Low | 64.4 | Low | 95 Ų | 95 | 59.2 Ų | 59.2 | 37% | 0.373 | 33% | 0.325 | S | S | . | . | trans | -65.1 | 145.2 | 176.4 | -69.7 | -78.7 | 0 | 0 | 0 | 111.2 | S502 T523 E526 C567 D568 | Y500-S502 VanDerWaalsContact C-N 3.25Å; Y500-S502 PolarHBondContact O-N 3.11Å; Y500-T523 HydrophobicContact CE1-CG2 4.32Å; Y500-E526 WeakPolarHBondContact CD1-OE2 3.48Å; Y500-C567 WeakPolarHBondContact O-CB 3.33Å; Y500-C567 PolarHBondContact O-SG 2.95Å; Y500-C567 VanDerWaalsContact O-SG 3.33Å; Y500-D568 HydrophobicContact CD2-CB 3.79Å; Y500-D568 WeakPolarHBondContact CD2-O 3.39Å; Y500-D568 PolarHBondContact N-O 3.13Å | ||
| 501 | T | 52.1 | Low | 62 | Low | 49 Ų | 49 | 60.6 Ų | 60.6 | 30% | 0.301 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -76.1 | -13 | 175.9 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | R352 E526 | R352-T501 HydrophobicContact CG-CG2 3.76Å; T501-E526 PolarHBondContact N-OE1 3.21Å; T501-E526 PolarHBondContact OG1-OE1 2.93Å |
| 502 | S | 47.8 | Very low | 59.4 | Low | 57 Ų | 57 | 60.1 Ų | 60.1 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -168 | 144.2 | 176.4 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | Y500 K504 | Y500-S502 VanDerWaalsContact C-N 3.25Å; Y500-S502 PolarHBondContact O-N 3.11Å; S502-K504 PolarHBondContact O-N 3.06Å |
| 503 | R | 50.1 | Low | 57.1 | Low | 103 Ų | 103 | 57 Ų | 57 | 39% | 0.389 | 31% | 0.312 | S | S | . | . | trans | -67.9 | 94.9 | 165.6 | -96.9 | -179.7 | 177.8 | 178.4 | 5 | 110 | D568 V592 G594 | R503-D568 WeakPolarHBondContact CD-OD2 3.03Å; R503-D568 WeakPolarHBondContact CG-OD2 3.28Å; R503-D568 IonicContact CZ-OD1 3.03Å; R503-D568 VanDerWaalsContact CZ-OD1 3.24Å; R503-D568 IonicContact CZ-OD2 2.68Å; R503-D568 VanDerWaalsContact NE-CG 3.28Å; R503-D568 IonicContact NE-OD1 2.97Å; R503-D568 PolarHBondContact NE-OD1 2.97Å; R503-D568 VanDerWaalsContact NE-OD1 3.09Å; R503-D568 IonicContact NE-OD2 2.71Å; R503-D568 PolarHBondContact NE-OD2 3.01Å; R503-D568 IonicContact NH2-OD1 2.63Å; R503-D568 PolarHBondContact NH2-OD1 2.88Å; R503-D568 IonicContact NH2-OD2 2.77Å; R503-V592 PolarHBondContact NH1-O 3.08Å; R503-V592 PolarHBondContact NH2-O 3.36Å; R503-G594 WeakPolarHBondContact CD-O 3.32Å; R503-G594 PolarHBondContact NH1-O 3.27Å | ||
| 504 | K | 44.2 | Very low | 54.7 | Low | 121 Ų | 121 | 62.2 Ų | 62.2 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | trans | -63.5 | 148.1 | 165.1 | -66.4 | 174 | -172.2 | 158.1 | 0 | 109 | S502 | S502-K504 PolarHBondContact O-N 3.06Š| ||
| 505 | S | 36.3 | Very low | 52.3 | Low | 75 Ų | 75 | 69.6 Ų | 69.6 | 52% | 0.524 | 37% | 0.373 | S | S | . | . | trans | -56.5 | 146.6 | -172.5 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | V507 F508 A509 | S505-V507 PolarHBondContact O-N 2.91Å; S505-F508 WeakPolarHBondContact O-CA 3.33Å; S505-F508 WeakPolarHBondContact O-CB 3.46Å; S505-F508 PolarHBondContact O-N 3.34Å; S505-A509 PolarHBondContact O-N 3.5Å | ||
| 506 | S | 42.8 | Very low | 50 | Low | 88 Ų | 88 | 78 Ų | 78 | 62% | 0.615 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59 | -24 | -175.3 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | K510 | S506-K510 WeakPolarHBondContact O-CB 3.45Å; S506-K510 WeakPolarHBondContact O-CG 3.35Å; S506-K510 PolarHBondContact O-N 2.81Å |
| 507 | V | 40.4 | Very low | 47.6 | Very low | 92 Ų | 92 | 83.3 Ų | 83.3 | 56% | 0.558 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 171.3 | -178 | 0 | 0 | 0 | 0 | 111 | S505 K510 I511 | S505-V507 PolarHBondContact O-N 2.91Å; V507-K510 PolarHBondContact O-N 2.97Å; V507-I511 HydrophobicContact CG1-CD1 3.82Å; V507-I511 WeakPolarHBondContact O-CB 3.33Å; V507-I511 VanDerWaalsContact O-CG1 3.25Å; V507-I511 WeakPolarHBondContact O-CG1 3.44Å; V507-I511 PolarHBondContact O-N 3.04Å |
| 508 | F | 37.6 | Very low | 45.1 | Very low | 123 Ų | 123 | 87.6 Ų | 87.6 | 54% | 0.539 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 177.8 | -121.6 | -84.7 | 0 | 0 | 0 | 112.1 | S505 K510 I511 C512 | S505-F508 WeakPolarHBondContact O-CA 3.33Å; S505-F508 WeakPolarHBondContact O-CB 3.46Å; S505-F508 PolarHBondContact O-N 3.34Å; F508-K510 PolarHBondContact O-N 2.97Å; F508-I511 PolarHBondContact O-N 3.4Å; F508-C512 WeakPolarHBondContact O-CB 3.3Å; F508-C512 PolarHBondContact O-N 2.82Å; F508-C512 PolarHBondContact O-SG 3Å |
| 509 | A | 39.5 | Very low | 42.9 | Very low | 62 Ų | 62 | 91 Ų | 91 | 51% | 0.512 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | S505 C512 A513 | S505-A509 PolarHBondContact O-N 3.5Å; A509-C512 PolarHBondContact O-N 3.22Å; A509-A513 WeakPolarHBondContact O-CB 3.4Å; A509-A513 PolarHBondContact O-N 2.89Å |
| 510 | K | 38.9 | Very low | 41.4 | Very low | 153 Ų | 153 | 96.8 Ų | 96.8 | 67% | 0.665 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.2 | -43.3 | 173.7 | -76 | -180 | 178 | -176 | 0 | 112.4 | S506 V507 F508 A513 V514 | S506-K510 WeakPolarHBondContact O-CB 3.45Å; S506-K510 WeakPolarHBondContact O-CG 3.35Å; S506-K510 PolarHBondContact O-N 2.81Å; V507-K510 PolarHBondContact O-N 2.97Å; F508-K510 PolarHBondContact O-N 2.97Å; K510-A513 PolarHBondContact O-N 2.87Å; K510-V514 VanDerWaalsContact O-CG2 3.31Å; K510-V514 WeakPolarHBondContact O-CG2 3.4Å; K510-V514 PolarHBondContact O-N 2.96Å |
| 511 | I | 40.5 | Very low | 40.2 | Very low | 78 Ų | 78 | 96.5 Ų | 96.5 | 40% | 0.4 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 177.6 | -71.4 | 167.5 | 0 | 0 | 0 | 110.8 | V507 F508 A513 V514 Y515 | V507-I511 HydrophobicContact CG1-CD1 3.82Å; V507-I511 WeakPolarHBondContact O-CB 3.33Å; V507-I511 VanDerWaalsContact O-CG1 3.25Å; V507-I511 WeakPolarHBondContact O-CG1 3.44Å; V507-I511 PolarHBondContact O-N 3.04Å; F508-I511 PolarHBondContact O-N 3.4Å; I511-A513 VanDerWaalsContact C-N 3.3Å; I511-A513 PolarHBondContact O-N 2.95Å; I511-V514 PolarHBondContact O-N 3.41Å; I511-Y515 HydrophobicContact CG2-CD2 3.89Å; I511-Y515 HydrophobicContact CG2-CE2 4.1Å; I511-Y515 WeakPolarHBondContact O-CD2 3.04Å; I511-Y515 PolarHBondContact O-N 2.63Å |
| 512 | C | 39 | Very low | 39.2 | Very low | 23 Ų | 23 | 96.3 Ų | 96.3 | 16% | 0.155 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -59.7 | -38.2 | 175.9 | -74.9 | 0 | 0 | 0 | 0 | 112.7 | F508 A509 L519 | F508-C512 WeakPolarHBondContact O-CB 3.3Å; F508-C512 PolarHBondContact O-N 2.82Å; F508-C512 PolarHBondContact O-SG 3Å; A509-C512 PolarHBondContact O-N 3.22Å; C512-L519 HydrophobicContact CB-CD2 4.23Å; C512-L519 HydrophobicContact CB-CG 4.24Å; C512-L519 WeakPolarHBondContact O-CD1 3.49Å |
| 513 | A | 40.2 | Very low | 38.9 | Very low | 51 Ų | 51 | 94.8 Ų | 94.8 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.6 | -35.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | A509 K510 I511 | A509-A513 WeakPolarHBondContact O-CB 3.4Å; A509-A513 PolarHBondContact O-N 2.89Å; K510-A513 PolarHBondContact O-N 2.87Å; I511-A513 VanDerWaalsContact C-N 3.3Å; I511-A513 PolarHBondContact O-N 2.95Å |
| 514 | V | 42 | Very low | 38.4 | Very low | 110 Ų | 110 | 94.4 Ų | 94.4 | 67% | 0.667 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73.1 | -41.2 | -177.6 | 166.6 | 0 | 0 | 0 | 0 | 112.6 | K510 I511 K516 | K510-V514 VanDerWaalsContact O-CG2 3.31Å; K510-V514 WeakPolarHBondContact O-CG2 3.4Å; K510-V514 PolarHBondContact O-N 2.96Å; I511-V514 PolarHBondContact O-N 3.41Å; V514-K516 PolarHBondContact O-N 2.83Å |
| 515 | Y | 36.9 | Very low | 38.3 | Very low | 155 Ų | 155 | 93.2 Ų | 93.2 | 61% | 0.608 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -84.4 | -7 | -168.2 | -78.8 | -75.2 | 0 | 0 | 0 | 116 | I511 V517 | I511-Y515 HydrophobicContact CG2-CD2 3.89Å; I511-Y515 HydrophobicContact CG2-CE2 4.1Å; I511-Y515 WeakPolarHBondContact O-CD2 3.04Å; I511-Y515 PolarHBondContact O-N 2.63Å; Y515-V517 WeakPolarHBondContact O-CG2 3.25Å; Y515-V517 PolarHBondContact O-N 2.84Å |
| 516 | K | 41.9 | Very low | 39.1 | Very low | 177 Ų | 177 | 91.1 Ų | 91.1 | 77% | 0.77 | 49% | 0.485 | S | S | * | . | S | Bend | trans | 52.3 | -5.4 | 174.8 | -154 | 175.1 | -179.2 | -179.1 | 0 | 117.9 | V514 | V514-K516 PolarHBondContact O-N 2.83Š|
| 517 | V | 36.4 | Very low | 40.3 | Very low | 115 Ų | 115 | 87 Ų | 87 | 70% | 0.697 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -118.2 | -4.3 | -173.6 | 179 | 0 | 0 | 0 | 0 | 111.1 | Y515 | Y515-V517 WeakPolarHBondContact O-CG2 3.25Å; Y515-V517 PolarHBondContact O-N 2.84Å |
| 518 | I | 35.3 | Very low | 41.8 | Very low | 90 Ų | 90 | 84.8 Ų | 84.8 | 46% | 0.462 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -129.7 | 57.2 | -178 | -42.3 | -180 | 0 | 0 | 0 | 110.6 | ||
| 519 | L | 35.3 | Very low | 43.8 | Very low | 83 Ų | 83 | 79.1 Ų | 79.1 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -127.8 | -32.4 | 169.9 | -94.6 | 165.3 | 0 | 0 | 0 | 113.3 | C512 F521 T523 | C512-L519 HydrophobicContact CB-CD2 4.23Å; C512-L519 HydrophobicContact CB-CG 4.24Å; C512-L519 WeakPolarHBondContact O-CD1 3.49Å; L519-F521 PolarHBondContact O-N 2.9Å; L519-T523 PolarHBondContact O-OG1 2.85Å |
| 520 | E | 34.4 | Very low | 45.7 | Very low | 133 Ų | 133 | 76.3 Ų | 76.3 | 62% | 0.621 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -62 | -25.9 | 173.9 | -64.4 | -175.7 | 149.7 | 0 | 0 | 113.1 | ||
| 521 | F | 32.4 | Very low | 47.7 | Very low | 89 Ų | 89 | 69 Ų | 69 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -79.1 | -40.3 | -175.2 | -86.2 | -118.6 | 0 | 0 | 0 | 115.2 | I20 L519 T523 | I20-F521 HydrophobicContact CB-CE1 3.78Å; I20-F521 HydrophobicContact CB-CZ 3.82Å; I20-F521 HydrophobicContact CD1-CD1 3.68Å; I20-F521 HydrophobicContact CD1-CD2 3.81Å; I20-F521 HydrophobicContact CD1-CE1 3.76Å; I20-F521 HydrophobicContact CD1-CE2 3.86Å; I20-F521 HydrophobicContact CD1-CG 3.76Å; I20-F521 HydrophobicContact CD1-CZ 3.88Å; I20-F521 HydrophobicContact CG1-CD1 4.11Å; I20-F521 HydrophobicContact CG1-CD2 4.1Å; I20-F521 HydrophobicContact CG1-CE1 3.64Å; I20-F521 HydrophobicContact CG1-CE2 3.6Å; I20-F521 HydrophobicContact CG1-CG 4.37Å; I20-F521 HydrophobicContact CG1-CZ 3.4Å; I20-F521 HydrophobicContact CG2-CE1 3.42Å; I20-F521 VanDerWaalsContact CG2-CE1 3.42Å; I20-F521 HydrophobicContact CG2-CE2 4.29Å; I20-F521 HydrophobicContact CG2-CZ 3.28Å; L519-F521 PolarHBondContact O-N 2.9Å; F521-T523 PolarHBondContact O-N 2.66Å; F521-T523 VanDerWaalsContact O-N 3.16Å |
| 522 | A | 30.9 | Very low | 49.4 | Very low | 45 Ų | 45 | 65.3 Ų | 65.3 | 37% | 0.372 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -5.5 | -163.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 523 | T | 43.1 | Very low | 51.4 | Low | 25 Ų | 25 | 65 Ų | 65 | 15% | 0.153 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | 6.7 | -160.8 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | R431 Y500 L519 F521 N525 E526 | R431-T523 PolarHBondContact NH2-O 3.41Å; R431-T523 PolarHBondContact NH2-OG1 2.8Å; Y500-T523 HydrophobicContact CE1-CG2 4.32Å; L519-T523 PolarHBondContact O-OG1 2.85Å; F521-T523 PolarHBondContact O-N 2.66Å; F521-T523 VanDerWaalsContact O-N 3.16Å; T523-N525 VanDerWaalsContact C-N 3.27Å; T523-N525 PolarHBondContact O-N 2.77Å; T523-E526 PolarHBondContact O-N 3Å |
| 524 | L | 38.7 | Very low | 53.6 | Low | 95 Ų | 95 | 62.6 Ų | 62.6 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -24.1 | 179 | -85.7 | 160.9 | 0 | 0 | 0 | 113.8 | I20 | I20-L524 HydrophobicContact CD1-CD1 4.24Š|
| 525 | N | 41 | Very low | 55.9 | Low | 96 Ų | 96 | 59.3 Ų | 59.3 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -0.5 | 179.2 | -67.4 | -0.9 | 0 | 0 | 0 | 113.7 | R352 T523 | R352-N525 WeakPolarHBondContact CD-O 3.38Å; R352-N525 PolarHBondContact NH1-O 2.83Å; T523-N525 VanDerWaalsContact C-N 3.27Å; T523-N525 PolarHBondContact O-N 2.77Å |
| 526 | E | 54.8 | Low | 58.6 | Low | 30 Ų | 30 | 52.6 Ų | 52.6 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -113.1 | 29.6 | -173.2 | -62.9 | -177.6 | 134.5 | 0 | 0 | 111.5 | Y500 T501 T523 | Y500-E526 WeakPolarHBondContact CD1-OE2 3.48Å; T501-E526 PolarHBondContact N-OE1 3.21Å; T501-E526 PolarHBondContact OG1-OE1 2.93Å; T523-E526 PolarHBondContact O-N 3Å |
| 527 | A | 66.8 | Low | 61 | Low | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | trans | -102.7 | -16.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N429 Q430 R431 | N429-A527 CarbonylContact C-O 3.14Å; N429-A527 VanDerWaalsContact CA-O 3.24Å; N429-A527 WeakPolarHBondContact CA-O 3.42Å; Q430-A527 HydrophobicContact CB-CB 4.41Å; Q430-A527 PolarHBondContact N-O 2.98Å; R431-A527 HydrophobicContact CG-CB 3.99Å | ||
| 528 | D | 72.5 | Confident | 63.7 | Low | 45 Ų | 45 | 40.9 Ų | 40.9 | 24% | 0.241 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -82.3 | 141.8 | 178.6 | -59.6 | -53.5 | 0 | 0 | 0 | 111.5 | R352 T358 Q428 N429 A530 | R352-D528 IonicContact CZ-OD2 3.33Å; R352-D528 IonicContact NH1-OD2 2.73Å; R352-D528 PolarHBondContact NH1-OD2 3.26Å; R352-D528 IonicContact NH2-OD2 3.68Å; T358-D528 HydrophobicContact CG2-CB 3.94Å; Q428-D528 CarbonylContact O-C 3.28Å; N429-D528 PolarHBondContact ND2-OD1 3.05Å; D528-A530 PolarHBondContact O-N 3.01Å |
| 529 | L | 80 | Confident | 66.4 | Low | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | -60.3 | 122.4 | 168.7 | 178.4 | 63.4 | 0 | 0 | 0 | 109.3 | A359 L364 M367 Q428 A496 W498 | A359-L529 HydrophobicContact CB-CD2 4.33Å; A359-L529 HydrophobicContact CB-CG 4.1Å; A359-L529 PolarHBondContact N-O 3.48Å; L364-L529 HydrophobicContact CB-CD2 4.16Å; L364-L529 HydrophobicContact CD1-CD2 4.2Å; M367-L529 HydrophobicContact CB-CD1 4.39Å; M367-L529 HydrophobicContact CB-CD2 4.05Å; M367-L529 HydrophobicContact CE-CD1 4Å; M367-L529 HydrophobicContact CG-CD1 4.23Å; M367-L529 HydrophobicContact CG-CD2 4.07Å; Q428-L529 PolarHBondContact NE2-O 3.4Å; Q428-L529 PolarHBondContact O-N 2.89Å; A496-L529 HydrophobicContact CB-CD1 4.48Å; W498-L529 HydrophobicContact CD2-CD1 3.99Å; W498-L529 HydrophobicContact CE3-CD1 4.24Å; W498-L529 HydrophobicContact CH2-CD1 4.11Å; W498-L529 HydrophobicContact CZ2-CB 4.19Å; W498-L529 HydrophobicContact CZ2-CD1 3.84Å; W498-L529 HydrophobicContact CZ2-CD2 4.39Å; W498-L529 HydrophobicContact CZ2-CG 4.36Å; W498-L529 HydrophobicContact CZ3-CD1 4.29Å | ||
| 530 | A | 78 | Confident | 69.1 | Low | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 162.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R352 I353 W357 A496 G497 D528 | R352-A530 HydrophobicContact CB-CB 4.2Å; R352-A530 VanDerWaalsContact O-CB 3.3Å; R352-A530 WeakPolarHBondContact O-CB 3.47Å; I353-A530 HydrophobicContact CD1-CB 4.36Å; I353-A530 WeakPolarHBondContact CD1-O 3.28Å; I353-A530 HydrophobicContact CG1-CB 3.64Å; W357-A530 CarbonylContact O-C 3.59Å; W357-A530 WeakPolarHBondContact O-CA 3.24Å; W357-A530 WeakPolarHBondContact O-CB 3.35Å; A496-A530 VanDerWaalsContact CA-O 3.26Å; A496-A530 WeakPolarHBondContact CA-O 3.45Å; A496-A530 WeakPolarHBondContact CB-O 3.43Å; G497-A530 PolarHBondContact N-O 2.86Å; G497-A530 PolarHBondContact O-N 3.15Å; D528-A530 PolarHBondContact O-N 3.01Å |
| 531 | M | 81.4 | Confident | 71.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 157.1 | -178.5 | 62.1 | 178.8 | -77.6 | 0 | 0 | 111.3 | I343 G356 W357 A359 L364 I494 V495 A496 | I343-M531 HydrophobicContact CG2-CE 4.19Å; G356-M531 CarbonylContact C-O 3.59Å; G356-M531 VanDerWaalsContact CA-O 3.26Å; G356-M531 WeakPolarHBondContact CA-O 3.39Å; W357-M531 HydrophobicContact CZ2-CE 3.95Å; W357-M531 PolarHBondContact N-O 3.08Å; W357-M531 PolarHBondContact O-N 3.33Å; W357-M531 VanDerWaalsContact O-O 3.07Å; A359-M531 HydrophobicContact CB-CB 4.3Å; A359-M531 HydrophobicContact CB-CG 3.88Å; A359-M531 HydrophobicContact CB-SD 3.84Å; L364-M531 HydrophobicContact CD1-CB 4.2Å; L364-M531 HydrophobicContact CD1-SD 4.3Å; I494-M531 HydrophobicContact CD1-CE 3.75Å; I494-M531 HydrophobicContact CG1-CE 3.94Å; I494-M531 HydrophobicContact CG2-CB 3.94Å; I494-M531 HydrophobicContact CG2-CE 3.89Å; V495-M531 CarbonylContact O-C 3.39Å; V495-M531 WeakPolarHBondContact O-CA 3.27Å; A496-M531 HydrophobicContact CB-CB 4.05Å |
| 532 | T | 77.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 162.2 | 172.5 | -164.4 | 0 | 0 | 0 | 0 | 110.4 | I353 G356 I494 V495 V534 R564 | I353-T532 HydrophobicContact CB-CG2 4.37Å; I353-T532 HydrophobicContact CG2-CG2 3.69Å; G356-T532 WeakPolarHBondContact CA-OG1 3.18Å; I494-T532 WeakPolarHBondContact CA-O 3.41Å; V495-T532 HydrophobicContact CB-CG2 3.97Å; V495-T532 PolarHBondContact N-O 2.95Å; V495-T532 PolarHBondContact O-N 3.04Å; T532-V534 HydrophobicContact CG2-CG1 4.29Å; T532-R564 WeakPolarHBondContact OG1-CD 3.39Å; T532-R564 WeakPolarHBondContact OG1-CG 3.44Å |
| 533 | I | 80.9 | Confident | 77.1 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 8% | 0.082 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 136.2 | 170.1 | -69.7 | 173 | 0 | 0 | 0 | 109.7 | M345 W357 E492 C493 R564 | M345-I533 HydrophobicContact CB-CD1 3.98Å; M345-I533 HydrophobicContact CE-CD1 3.4Å; M345-I533 VanDerWaalsContact CE-CD1 3.4Å; M345-I533 HydrophobicContact CE-CG1 3.79Å; M345-I533 WeakPolarHBondContact O-CD1 3.13Å; M345-I533 HydrophobicContact SD-CD1 3.8Å; M345-I533 HydrophobicContact SD-CG1 4.17Å; W357-I533 HydrophobicContact CH2-CB 4.27Å; W357-I533 HydrophobicContact CH2-CD1 3.75Å; W357-I533 HydrophobicContact CH2-CG1 3.71Å; W357-I533 HydrophobicContact CZ2-CD1 4.28Å; W357-I533 HydrophobicContact CZ2-CG1 4.32Å; E492-I533 HydrophobicContact CB-CG2 4.02Å; E492-I533 HydrophobicContact CG-CG2 4.17Å; C493-I533 WeakPolarHBondContact O-CA 3.48Å; I533-R564 WeakPolarHBondContact O-CD 2.95Å |
| 534 | V | 85.2 | Confident | 79.3 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 157.2 | 170.9 | -61.6 | 0 | 0 | 0 | 0 | 108.8 | C493 V495 T532 T558 L575 | C493-V534 PolarHBondContact N-O 2.92Å; C493-V534 PolarHBondContact O-N 3.47Å; V495-V534 HydrophobicContact CG2-CG1 4.26Å; V495-V534 HydrophobicContact CG2-CG2 3.62Å; T532-V534 HydrophobicContact CG2-CG1 4.29Å; V534-T558 HydrophobicContact CB-CG2 4.37Å; V534-T558 HydrophobicContact CG2-CG2 3.67Å; V534-L575 HydrophobicContact CG2-CD1 3.58Å |
| 535 | S | 90.2 | Very high | 81.5 | Confident | 41 Ų | 41 | 40.5 Ų | 40.5 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.7 | -178.5 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | T491 A537 T558 Q559 | T491-S535 WeakPolarHBondContact O-CA 3.43Å; S535-A537 PolarHBondContact O-N 3.34Å; S535-T558 CarbonylContact O-C 3.57Å; S535-T558 WeakPolarHBondContact O-CA 3.24Å; S535-T558 WeakPolarHBondContact O-CB 3.5Å; S535-Q559 PolarHBondContact N-O 2.81Å; S535-Q559 PolarHBondContact O-N 2.98Å |
| 536 | V | 93.7 | Very high | 83.4 | Confident | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 123.5 | 177 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | I487 G490 T491 | I487-V536 HydrophobicContact CB-CG1 4.48Å; I487-V536 HydrophobicContact CB-CG2 4.11Å; I487-V536 HydrophobicContact CD1-CG2 3.79Å; I487-V536 HydrophobicContact CG2-CG2 3.84Å; G490-V536 PolarHBondContact N-O 2.93Å; T491-V536 PolarHBondContact O-N 3.41Å |
| 537 | A | 92.6 | Very high | 84.5 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -90.9 | 155.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | S535 F539 C542 C557 Q559 F600 | S535-A537 PolarHBondContact O-N 3.34Å; A537-F539 PolarHBondContact O-N 3.34Å; A537-C542 WeakPolarHBondContact CB-SG 3.46Å; A537-C557 HydrophobicContact CB-CB 4.45Å; A537-C557 PolarHBondContact N-O 3.14Å; A537-Q559 HydrophobicContact CB-CB 4.07Å; A537-F600 HydrophobicContact CB-CD1 4.11Å; A537-F600 HydrophobicContact CB-CE1 4.07Å |
| 538 | P | 93.5 | Very high | 85.2 | Confident | 40 Ų | 40 | 46.4 Ų | 46.4 | 26% | 0.26 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -59.2 | 124 | 164.6 | -18.3 | 30.7 | 0 | 0 | 0 | 110.3 | V489 S540 I541 C542 | V489-P538 HydrophobicContact CG1-CG 3.8Å; P538-S540 PolarHBondContact O-N 2.88Å; P538-I541 HydrophobicContact CB-CB 4.49Å; P538-I541 HydrophobicContact CB-CD1 4.04Å; P538-I541 HydrophobicContact CB-CG1 4.06Å; P538-I541 HydrophobicContact CG-CD1 3.73Å; P538-I541 HydrophobicContact CG-CG1 4.3Å; P538-I541 PolarHBondContact O-N 3.23Å; P538-I541 VanDerWaalsContact O-N 3.07Å; P538-C542 PolarHBondContact O-N 2.71Å |
| 539 | F | 91.5 | Very high | 85.8 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.7 | -37.1 | -175.9 | -173.8 | -91 | 0 | 0 | 0 | 113.1 | A537 I541 C542 Q543 I550 E552 | A537-F539 PolarHBondContact O-N 3.34Å; F539-I541 PolarHBondContact O-N 3.09Å; F539-C542 PolarHBondContact O-N 2.84Å; F539-Q543 HydrophobicContact CE1-CB 4.38Å; F539-Q543 PolarHBondContact O-N 2.83Å; F539-I550 HydrophobicContact CD2-CD1 4.33Å; F539-I550 HydrophobicContact CE1-CD1 4.42Å; F539-I550 HydrophobicContact CE1-CG1 4.41Å; F539-I550 HydrophobicContact CE2-CB 4.43Å; F539-I550 HydrophobicContact CE2-CD1 3.6Å; F539-I550 HydrophobicContact CE2-CG1 4.09Å; F539-I550 HydrophobicContact CZ-CB 4.1Å; F539-I550 HydrophobicContact CZ-CD1 3.62Å; F539-I550 HydrophobicContact CZ-CG1 3.63Å; F539-E552 HydrophobicContact CB-CG 4.33Å; F539-E552 HydrophobicContact CD1-CB 4Å; F539-E552 HydrophobicContact CD1-CG 4.3Å; F539-E552 HydrophobicContact CD2-CB 4.07Å; F539-E552 HydrophobicContact CD2-CG 4.04Å; F539-E552 HydrophobicContact CE1-CB 4.02Å; F539-E552 VanDerWaalsContact CE2-CA 3.45Å; F539-E552 HydrophobicContact CE2-CB 4.08Å; F539-E552 HydrophobicContact CG-CB 4.05Å; F539-E552 HydrophobicContact CG-CG 3.94Å; F539-E552 HydrophobicContact CZ-CB 4.08Å |
| 540 | S | 91.5 | Very high | 86.1 | Confident | 85 Ų | 85 | 47.7 Ų | 47.7 | 59% | 0.594 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60 | -40.7 | 176.9 | 49.5 | 0 | 0 | 0 | 0 | 113.5 | P538 Q543 E544 | P538-S540 PolarHBondContact O-N 2.88Å; S540-Q543 PolarHBondContact O-N 3.31Å; S540-E544 PolarHBondContact O-N 3.41Å; S540-E544 VanDerWaalsContact O-N 3.15Å |
| 541 | I | 90.4 | Very high | 86.7 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 32% | 0.323 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 177.3 | -62 | -179.1 | 0 | 0 | 0 | 109.4 | P538 F539 Q543 E544 K545 F600 | P538-I541 HydrophobicContact CB-CB 4.49Å; P538-I541 HydrophobicContact CB-CD1 4.04Å; P538-I541 HydrophobicContact CB-CG1 4.06Å; P538-I541 HydrophobicContact CG-CD1 3.73Å; P538-I541 HydrophobicContact CG-CG1 4.3Å; P538-I541 PolarHBondContact O-N 3.23Å; P538-I541 VanDerWaalsContact O-N 3.07Å; F539-I541 PolarHBondContact O-N 3.09Å; I541-Q543 VanDerWaalsContact C-N 3.35Å; I541-Q543 PolarHBondContact O-N 2.77Å; I541-E544 WeakPolarHBondContact O-CB 3.41Å; I541-E544 PolarHBondContact O-N 2.83Å; I541-E544 VanDerWaalsContact O-N 3.15Å; I541-K545 HydrophobicContact CG2-CG 4.13Å; I541-K545 WeakPolarHBondContact O-CG 3.48Å; I541-K545 PolarHBondContact O-N 3.13Å; I541-F600 HydrophobicContact CG2-CE1 3.9Å; I541-F600 HydrophobicContact CG2-CE2 4.32Å; I541-F600 HydrophobicContact CG2-CZ 3.56Å |
| 542 | C | 87.5 | Confident | 87 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | A537 P538 F539 E544 K545 L546 I550 C557 F600 | A537-C542 WeakPolarHBondContact CB-SG 3.46Å; P538-C542 PolarHBondContact O-N 2.71Å; F539-C542 PolarHBondContact O-N 2.84Å; C542-E544 PolarHBondContact O-N 2.78Å; C542-K545 PolarHBondContact O-N 3.15Å; C542-L546 HydrophobicContact CB-CD1 4.04Å; C542-L546 VanDerWaalsContact O-CB 3.3Å; C542-L546 WeakPolarHBondContact O-CB 3.4Å; C542-L546 WeakPolarHBondContact O-CD1 3.23Å; C542-L546 WeakPolarHBondContact O-CG 3.35Å; C542-L546 PolarHBondContact O-N 3.15Å; C542-I550 HydrophobicContact CB-CD1 4.03Å; C542-C557 HydrophobicContact CB-CB 3.57Å; C542-C557 WeakPolarHBondContact CB-SG 3.29Å; C542-C557 WeakPolarHBondContact SG-CB 3.07Å; C542-C557 CovalentContact SG-SG 2.01Å; C542-C557 PolarHBondContact SG-SG 3.38Å; C542-F600 WeakPolarHBondContact SG-CD1 3.22Å |
| 543 | Q | 88.5 | Confident | 87.6 | Confident | 118 Ų | 118 | 62.2 Ų | 62.2 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.7 | -27.8 | 176.8 | -162 | -171.3 | -72.8 | 0 | 0 | 112.4 | F539 S540 I541 I550 | F539-Q543 HydrophobicContact CE1-CB 4.38Å; F539-Q543 PolarHBondContact O-N 2.83Å; S540-Q543 PolarHBondContact O-N 3.31Å; I541-Q543 VanDerWaalsContact C-N 3.35Å; I541-Q543 PolarHBondContact O-N 2.77Å; Q543-I550 HydrophobicContact CB-CG1 4.37Å; Q543-I550 HydrophobicContact CG-CG1 4.34Å |
| 544 | E | 88.7 | Confident | 88 | Confident | 136 Ų | 136 | 62 Ų | 62 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -78 | -38.9 | 172.8 | -167.7 | -155.2 | 119.1 | 0 | 0 | 112.7 | S540 I541 C542 | S540-E544 PolarHBondContact O-N 3.41Å; S540-E544 VanDerWaalsContact O-N 3.15Å; I541-E544 WeakPolarHBondContact O-CB 3.41Å; I541-E544 PolarHBondContact O-N 2.83Å; I541-E544 VanDerWaalsContact O-N 3.15Å; C542-E544 PolarHBondContact O-N 2.78Å |
| 545 | K | 85.8 | Confident | 88.4 | Confident | 113 Ų | 113 | 62 Ų | 62 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -89.4 | -15.6 | -172.2 | -61.6 | -52.8 | -175.8 | -157.1 | 0 | 115.1 | I541 C542 F600 | I541-K545 HydrophobicContact CG2-CG 4.13Å; I541-K545 WeakPolarHBondContact O-CG 3.48Å; I541-K545 PolarHBondContact O-N 3.13Å; C542-K545 PolarHBondContact O-N 3.15Å; K545-F600 HydrophobicContact CB-CD2 3.83Å; K545-F600 HydrophobicContact CB-CE2 4.02Å; K545-F600 HydrophobicContact CG-CD2 4.09Å; K545-F600 HydrophobicContact CG-CE2 3.73Å; K545-F600 HydrophobicContact CG-CZ 4.42Å |
| 546 | L | 81.7 | Confident | 88.5 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -91.7 | 140.6 | -177.8 | -68.5 | 166.5 | 0 | 0 | 0 | 112.3 | C542 Y548 I550 F600 T602 | C542-L546 HydrophobicContact CB-CD1 4.04Å; C542-L546 VanDerWaalsContact O-CB 3.3Å; C542-L546 WeakPolarHBondContact O-CB 3.4Å; C542-L546 WeakPolarHBondContact O-CD1 3.23Å; C542-L546 WeakPolarHBondContact O-CG 3.35Å; C542-L546 PolarHBondContact O-N 3.15Å; L546-Y548 HydrophobicContact CB-CE1 4.37Å; L546-Y548 HydrophobicContact CD2-CE1 4.08Å; L546-Y548 PolarHBondContact O-N 3.31Å; L546-Y548 VanDerWaalsContact O-N 3.11Å; L546-I550 HydrophobicContact CD1-CD1 3.69Å; L546-I550 HydrophobicContact CD1-CG1 4.42Å; L546-I550 HydrophobicContact CD1-CG2 4.38Å; L546-F600 HydrophobicContact CD2-CB 4.44Å; L546-T602 HydrophobicContact CD1-CG2 3.38Å |
| 547 | E | 77.8 | Confident | 88.4 | Confident | 175 Ų | 175 | 60.2 Ų | 60.2 | 82% | 0.818 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -75.1 | 7.1 | -179.1 | -60.3 | 170 | 160.4 | 0 | 0 | 113.8 | ||
| 548 | Y | 80.6 | Confident | 88.3 | Confident | 55 Ų | 55 | 60 Ų | 60 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -147.9 | 152.7 | -176 | 58 | -86.6 | 0 | 0 | 0 | 111.8 | L546 I550 V593 T602 | L546-Y548 HydrophobicContact CB-CE1 4.37Å; L546-Y548 HydrophobicContact CD2-CE1 4.08Å; L546-Y548 PolarHBondContact O-N 3.31Å; L546-Y548 VanDerWaalsContact O-N 3.11Å; Y548-I550 HydrophobicContact CD2-CG2 3.82Å; Y548-I550 HydrophobicContact CE2-CG2 3.54Å; Y548-V593 HydrophobicContact CD1-CG1 4.3Å; Y548-V593 HydrophobicContact CE1-CB 4.28Å; Y548-V593 HydrophobicContact CE1-CG1 4.29Å; Y548-T602 HydrophobicContact CE2-CG2 4.44Å; Y548-T602 WeakPolarHBondContact OH-CG2 3.46Å; Y548-T602 PolarHBondContact OH-OG1 3.43Å |
| 549 | A | 85.1 | Confident | 87.8 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 59% | 0.587 | 31% | 0.308 | S | S | * | . | trans | -69.5 | 132.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 550 | I | 86.8 | Confident | 86.8 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | trans | -127.4 | 157.5 | 173.6 | 54.4 | 164.6 | 0 | 0 | 0 | 110.3 | F539 C542 Q543 L546 Y548 F555 T602 | F539-I550 HydrophobicContact CD2-CD1 4.33Å; F539-I550 HydrophobicContact CE1-CD1 4.42Å; F539-I550 HydrophobicContact CE1-CG1 4.41Å; F539-I550 HydrophobicContact CE2-CB 4.43Å; F539-I550 HydrophobicContact CE2-CD1 3.6Å; F539-I550 HydrophobicContact CE2-CG1 4.09Å; F539-I550 HydrophobicContact CZ-CB 4.1Å; F539-I550 HydrophobicContact CZ-CD1 3.62Å; F539-I550 HydrophobicContact CZ-CG1 3.63Å; C542-I550 HydrophobicContact CB-CD1 4.03Å; Q543-I550 HydrophobicContact CB-CG1 4.37Å; Q543-I550 HydrophobicContact CG-CG1 4.34Å; L546-I550 HydrophobicContact CD1-CD1 3.69Å; L546-I550 HydrophobicContact CD1-CG1 4.42Å; L546-I550 HydrophobicContact CD1-CG2 4.38Å; Y548-I550 HydrophobicContact CD2-CG2 3.82Å; Y548-I550 HydrophobicContact CE2-CG2 3.54Å; I550-F555 HydrophobicContact CB-CB 4.41Å; I550-F555 HydrophobicContact CB-CD2 3.95Å; I550-F555 HydrophobicContact CB-CG 4.22Å; I550-F555 HydrophobicContact CG2-CD1 4.43Å; I550-F555 HydrophobicContact CG2-CD2 4.08Å; I550-F555 HydrophobicContact CG2-CE2 4.37Å; I550-F555 HydrophobicContact CG2-CG 4.11Å; I550-T602 HydrophobicContact CG2-CG2 4.27Å | ||
| 551 | Y | 89.8 | Confident | 85.3 | Confident | 107 Ų | 107 | 62.8 Ų | 62.8 | 42% | 0.42 | 31% | 0.305 | S | S | . | . | trans | -129.5 | 135.4 | 178.1 | -53 | -81 | 0 | 0 | 0 | 110.6 | N553 E554 F555 | Y551-N553 VanDerWaalsContact CB-OD1 3.32Å; Y551-N553 WeakPolarHBondContact CB-OD1 3.32Å; Y551-N553 PolarHBondContact O-N 3.42Å; Y551-E554 PolarHBondContact O-N 3.25Å; Y551-F555 PolarHBondContact O-N 3.19Å | ||
| 552 | E | 88.2 | Confident | 83.8 | Confident | 98 Ų | 98 | 67.3 Ų | 67.3 | 46% | 0.458 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.5 | -173.1 | -164.1 | -167.5 | 157.1 | 0 | 0 | 112.8 | K486 F539 E554 N605 | K486-E552 IonicContact NZ-OE1 2.7Å; K486-E552 PolarHBondContact NZ-OE1 3.07Å; F539-E552 HydrophobicContact CB-CG 4.33Å; F539-E552 HydrophobicContact CD1-CB 4Å; F539-E552 HydrophobicContact CD1-CG 4.3Å; F539-E552 HydrophobicContact CD2-CB 4.07Å; F539-E552 HydrophobicContact CD2-CG 4.04Å; F539-E552 HydrophobicContact CE1-CB 4.02Å; F539-E552 VanDerWaalsContact CE2-CA 3.45Å; F539-E552 HydrophobicContact CE2-CB 4.08Å; F539-E552 HydrophobicContact CG-CB 4.05Å; F539-E552 HydrophobicContact CG-CG 3.94Å; F539-E552 HydrophobicContact CZ-CB 4.08Å; E552-E554 VanDerWaalsContact C-N 3.3Å; E552-E554 PolarHBondContact O-N 3.35Å; E552-N605 PolarHBondContact O-ND2 3.45Å |
| 553 | N | 89.6 | Confident | 82.7 | Confident | 104 Ų | 104 | 72.9 Ų | 72.9 | 56% | 0.556 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3.2 | 176 | 71.1 | -52.6 | 0 | 0 | 0 | 114.2 | Y551 S608 | Y551-N553 VanDerWaalsContact CB-OD1 3.32Å; Y551-N553 WeakPolarHBondContact CB-OD1 3.32Å; Y551-N553 PolarHBondContact O-N 3.42Å; N553-S608 WeakPolarHBondContact O-CB 3.4Å; N553-S608 PolarHBondContact O-OG 2.95Å |
| 554 | E | 90.2 | Very high | 81.5 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | -28.1 | 178.1 | -66.1 | -175 | 176.2 | 0 | 0 | 112.3 | R457 Y551 E552 N605 | R457-E554 IonicContact CZ-OE1 3.68Å; R457-E554 IonicContact CZ-OE2 3.64Å; R457-E554 IonicContact NE-OE1 3.74Å; R457-E554 IonicContact NE-OE2 2.76Å; R457-E554 PolarHBondContact NE-OE2 3.09Å; R457-E554 VanDerWaalsContact NH2-CD 3.31Å; R457-E554 IonicContact NH2-OE1 2.89Å; R457-E554 PolarHBondContact NH2-OE1 3.45Å; R457-E554 IonicContact NH2-OE2 2.69Å; R457-E554 PolarHBondContact NH2-OE2 3.38Å; R457-E554 VanDerWaalsContact NH2-OE2 3.1Å; Y551-E554 PolarHBondContact O-N 3.25Å; E552-E554 VanDerWaalsContact C-N 3.3Å; E552-E554 PolarHBondContact O-N 3.35Å; E554-N605 WeakPolarHBondContact O-CB 3.35Å; E554-N605 PolarHBondContact O-N 2.01Å |
| 555 | F | 92.4 | Very high | 80.5 | Confident | 3 Ų | 3 | 63 Ų | 63 | 1% | 0.013 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139.9 | -173.8 | -62.3 | -89.8 | 0 | 0 | 0 | 113.4 | R457 I550 Y551 Y603 | R457-F555 HydrophobicContact CG-CE2 4.08Å; R457-F555 HydrophobicContact CG-CZ 3.91Å; I550-F555 HydrophobicContact CB-CB 4.41Å; I550-F555 HydrophobicContact CB-CD2 3.95Å; I550-F555 HydrophobicContact CB-CG 4.22Å; I550-F555 HydrophobicContact CG2-CD1 4.43Å; I550-F555 HydrophobicContact CG2-CD2 4.08Å; I550-F555 HydrophobicContact CG2-CE2 4.37Å; I550-F555 HydrophobicContact CG2-CG 4.11Å; Y551-F555 PolarHBondContact O-N 3.19Å; F555-Y603 CarbonylContact C-O 3.56Å; F555-Y603 VanDerWaalsContact CA-O 3.28Å; F555-Y603 WeakPolarHBondContact CA-O 3.35Å |
| 556 | I | 93 | Very high | 79.9 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 143.8 | 159 | -67.1 | 156.2 | 0 | 0 | 0 | 107.6 | I487 L575 Y586 T602 Y603 N605 | I487-I556 HydrophobicContact CD1-CD1 4Å; I487-I556 HydrophobicContact CD1-CG1 4.43Å; I487-I556 HydrophobicContact CD1-CG2 4.1Å; I556-L575 HydrophobicContact CG2-CD2 3.78Å; I556-Y586 VanDerWaalsContact CD1-C 3.41Å; I556-Y586 WeakPolarHBondContact CD1-O 3.23Å; I556-T602 CarbonylContact O-C 3.54Å; I556-T602 WeakPolarHBondContact O-CA 3.07Å; I556-Y603 PolarHBondContact N-O 2.95Å; I556-Y603 PolarHBondContact O-N 2.92Å; I556-N605 HydrophobicContact CD1-CB 4.2Å; I556-N605 HydrophobicContact CG1-CB 3.99Å |
| 557 | C | 91.5 | Very high | 79.3 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.8 | 171.8 | -175.8 | 0 | 0 | 0 | 0 | 111 | A537 C542 D601 | A537-C557 HydrophobicContact CB-CB 4.45Å; A537-C557 PolarHBondContact N-O 3.14Å; C542-C557 HydrophobicContact CB-CB 3.57Å; C542-C557 WeakPolarHBondContact CB-SG 3.29Å; C542-C557 WeakPolarHBondContact SG-CB 3.07Å; C542-C557 CovalentContact SG-SG 2.01Å; C542-C557 PolarHBondContact SG-SG 3.38Å; C557-D601 WeakPolarHBondContact CA-O 3.32Å |
| 558 | T | 90 | Very high | 78.7 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.7 | 171.3 | 67 | 0 | 0 | 0 | 0 | 110.6 | V534 S535 L575 F600 D601 Y603 | V534-T558 HydrophobicContact CB-CG2 4.37Å; V534-T558 HydrophobicContact CG2-CG2 3.67Å; S535-T558 CarbonylContact O-C 3.57Å; S535-T558 WeakPolarHBondContact O-CA 3.24Å; S535-T558 WeakPolarHBondContact O-CB 3.5Å; T558-L575 HydrophobicContact CG2-CD1 3.97Å; T558-L575 HydrophobicContact CG2-CD2 3.77Å; T558-F600 WeakPolarHBondContact O-CA 3.08Å; T558-D601 PolarHBondContact N-O 3.49Å; T558-D601 PolarHBondContact O-N 2.92Å; T558-Y603 HydrophobicContact CG2-CD2 4.19Å; T558-Y603 HydrophobicContact CG2-CE2 3.62Å; T558-Y603 VanDerWaalsContact OG1-CE2 3.28Å; T558-Y603 WeakPolarHBondContact OG1-CE2 3.29Å; T558-Y603 PolarHBondContact OG1-OH 3.23Å |
| 559 | Q | 83.7 | Confident | 78.2 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 36% | 0.36 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 147.6 | 167.3 | -164.8 | 174.8 | 17.9 | 0 | 0 | 109.1 | S535 A537 E599 F600 | S535-Q559 PolarHBondContact N-O 2.81Å; S535-Q559 PolarHBondContact O-N 2.98Å; A537-Q559 HydrophobicContact CB-CB 4.07Å; Q559-E599 CarbonylContact C-O 3.59Å; Q559-E599 VanDerWaalsContact CA-O 3.27Å; Q559-E599 WeakPolarHBondContact CA-O 3.42Å; Q559-E599 HydrophobicContact CG-CG 4.21Å; Q559-E599 PolarHBondContact NE2-OE1 3.1Å; Q559-F600 HydrophobicContact CB-CD1 3.97Å; Q559-F600 HydrophobicContact CB-CE1 3.69Å; Q559-F600 HydrophobicContact CB-CZ 4.49Å; Q559-F600 HydrophobicContact CG-CD1 4.05Å; Q559-F600 HydrophobicContact CG-CE1 3.55Å; Q559-F600 HydrophobicContact CG-CZ 3.86Å |
| 560 | S | 69.4 | Low | 78 | Confident | 11 Ų | 11 | 47 Ų | 47 | 8% | 0.077 | 22% | 0.222 | C | C | . | . | trans | -120.3 | 131 | -179.2 | 84.2 | 0 | 0 | 0 | 0 | 111.9 | R564 K598 E599 | S560-R564 WeakPolarHBondContact CB-O 3.22Å; S560-R564 PolarHBondContact OG-N 2.89Å; S560-R564 VanDerWaalsContact OG-N 3.15Å; S560-R564 PolarHBondContact OG-O 2.97Å; S560-K598 PolarHBondContact OG-O 2.71Å; S560-E599 PolarHBondContact N-O 2.74Å | ||
| 561 | E | 61.3 | Low | 78 | Confident | 133 Ų | 133 | 47.4 Ų | 47.4 | 62% | 0.621 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -77.5 | 145.5 | 161.9 | -62.7 | -166.1 | 154.6 | 0 | 0 | 109.6 | H563 R564 | E561-H563 PolarHBondContact O-N 2.73Å; E561-R564 WeakPolarHBondContact O-CB 3.24Å; E561-R564 WeakPolarHBondContact O-CD 3.22Å; E561-R564 WeakPolarHBondContact O-CG 3.49Å; E561-R564 PolarHBondContact O-N 3.29Å; E561-R564 VanDerWaalsContact O-N 3.16Å |
| 562 | F | 59.1 | Low | 78.1 | Confident | 158 Ų | 158 | 42.3 Ų | 42.3 | 69% | 0.693 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | 55.5 | 32.6 | 175.9 | -48.7 | -78.7 | 0 | 0 | 0 | 115 | R564 | F562-R564 VanDerWaalsContact C-N 3.26Å; F562-R564 PolarHBondContact O-N 2.87Å |
| 563 | H | 62.4 | Low | 78.2 | Confident | 118 Ų | 118 | 37.7 Ų | 37.7 | 55% | 0.546 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | 58.7 | 37.9 | -178.5 | -61.5 | -69.7 | 0 | 0 | 0 | 112.7 | S354 E561 G597 | S354-H563 WeakPolarHBondContact CB-O 3.28Å; S354-H563 PolarHBondContact OG-O 2.87Å; E561-H563 PolarHBondContact O-N 2.73Å; H563-G597 VanDerWaalsContact CB-O 3.27Å; H563-G597 WeakPolarHBondContact CB-O 3.21Å; H563-G597 PolarHBondContact ND1-O 3.47Å; H563-G597 WeakPolarHBondContact O-CA 3.43Å |
| 564 | R | 64.6 | Low | 78.5 | Confident | 47 Ų | 47 | 32.8 Ų | 32.8 | 18% | 0.177 | 16% | 0.158 | C | C | . | . | trans | -68.6 | 148.2 | 174.1 | -79.2 | 171.2 | 179.2 | 152.2 | 5.9 | 111.4 | S354 G355 T532 I533 S560 E561 F562 | S354-R564 WeakPolarHBondContact O-CA 3.45Å; G355-R564 WeakPolarHBondContact O-CG 3.34Å; G355-R564 PolarHBondContact O-NE 2.86Å; T532-R564 WeakPolarHBondContact OG1-CD 3.39Å; T532-R564 WeakPolarHBondContact OG1-CG 3.44Å; I533-R564 WeakPolarHBondContact O-CD 2.95Å; S560-R564 WeakPolarHBondContact CB-O 3.22Å; S560-R564 PolarHBondContact OG-N 2.89Å; S560-R564 VanDerWaalsContact OG-N 3.15Å; S560-R564 PolarHBondContact OG-O 2.97Å; E561-R564 WeakPolarHBondContact O-CB 3.24Å; E561-R564 WeakPolarHBondContact O-CD 3.22Å; E561-R564 WeakPolarHBondContact O-CG 3.49Å; E561-R564 PolarHBondContact O-N 3.29Å; E561-R564 VanDerWaalsContact O-N 3.16Å; F562-R564 VanDerWaalsContact C-N 3.26Å; F562-R564 PolarHBondContact O-N 2.87Å | ||
| 565 | G | 66.5 | Low | 78.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | 144.8 | 176.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I353 S354 D601 | I353-G565 WeakPolarHBondContact CG2-O 3.48Å; S354-G565 VanDerWaalsContact CB-O 3.24Å; S354-G565 WeakPolarHBondContact CB-O 3.16Å; S354-G565 PolarHBondContact N-O 3.4Å; S354-G565 PolarHBondContact O-N 2.85Å; G565-D601 WeakPolarHBondContact CA-OD2 3.2Å |
| 566 | F | 73.3 | Confident | 78.9 | Confident | 8 Ų | 8 | 32.2 Ų | 32.2 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | trans | -80 | 170 | -172.1 | 62.7 | -97.7 | 0 | 0 | 0 | 113.1 | V495 D570 I589 V592 D601 Y603 | V495-F566 HydrophobicContact CG1-CB 4.13Å; F566-D570 WeakPolarHBondContact CA-OD2 2.95Å; F566-D570 HydrophobicContact CB-CB 3.84Å; F566-I589 HydrophobicContact CB-CD1 4.08Å; F566-I589 HydrophobicContact CB-CG2 4.16Å; F566-I589 HydrophobicContact CD1-CG1 4.13Å; F566-I589 HydrophobicContact CD1-CG2 3.94Å; F566-I589 HydrophobicContact CD2-CG2 3.35Å; F566-I589 HydrophobicContact CE1-CG2 4.1Å; F566-I589 HydrophobicContact CE2-CG2 3.56Å; F566-I589 HydrophobicContact CG-CD1 4.37Å; F566-I589 HydrophobicContact CG-CG1 4.3Å; F566-I589 HydrophobicContact CG-CG2 3.56Å; F566-I589 HydrophobicContact CZ-CG2 3.94Å; F566-V592 HydrophobicContact CD2-CG2 3.61Å; F566-V592 HydrophobicContact CE2-CG2 3.63Å; F566-D601 HydrophobicContact CD1-CB 4.33Å; F566-D601 HydrophobicContact CE1-CB 3.74Å; F566-D601 HydrophobicContact CZ-CB 4.36Å; F566-Y603 AromaticContact CD1-CE1 3.64Å; F566-Y603 HydrophobicContact CD1-CE1 3.64Å; F566-Y603 AromaticContact CD1-CZ 3.79Å; F566-Y603 HydrophobicContact CE1-CD1 4.13Å; F566-Y603 AromaticContact CE1-CE1 3.55Å; F566-Y603 HydrophobicContact CE1-CE1 3.55Å; F566-Y603 HydrophobicContact CE1-CE2 4.24Å; F566-Y603 AromaticContact CE1-CZ 3.6Å | ||
| 567 | C | 69.9 | Low | 79 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | trans | -143.8 | -170 | 179 | -161.1 | 0 | 0 | 0 | 0 | 111.6 | Y500 D570 V592 C596 | Y500-C567 WeakPolarHBondContact O-CB 3.33Å; Y500-C567 PolarHBondContact O-SG 2.95Å; Y500-C567 VanDerWaalsContact O-SG 3.33Å; C567-D570 PolarHBondContact N-OD2 2.04Å; C567-D570 WeakPolarHBondContact O-CB 3.17Å; C567-D570 PolarHBondContact O-N 2.93Å; C567-V592 VanDerWaalsContact C-CG2 3.46Å; C567-V592 WeakPolarHBondContact O-CG2 3.24Å; C567-C596 WeakPolarHBondContact CA-SG 3.02Å; C567-C596 HydrophobicContact CB-CB 3.55Å; C567-C596 WeakPolarHBondContact CB-SG 3.43Å; C567-C596 WeakPolarHBondContact SG-CB 3.49Å; C567-C596 CovalentContact SG-SG 2.03Å; C567-C596 PolarHBondContact SG-SG 3.3Å | ||
| 568 | D | 65.8 | Low | 79.1 | Confident | 46 Ų | 46 | 37.4 Ų | 37.4 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 143 | 175.2 | -69.3 | -31.1 | 0 | 0 | 0 | 110.6 | G499 Y500 R503 D570 | G499-D568 CarbonylContact C-O 3.52Å; G499-D568 WeakPolarHBondContact CA-O 3.46Å; Y500-D568 HydrophobicContact CD2-CB 3.79Å; Y500-D568 WeakPolarHBondContact CD2-O 3.39Å; Y500-D568 PolarHBondContact N-O 3.13Å; R503-D568 WeakPolarHBondContact CD-OD2 3.03Å; R503-D568 WeakPolarHBondContact CG-OD2 3.28Å; R503-D568 IonicContact CZ-OD1 3.03Å; R503-D568 VanDerWaalsContact CZ-OD1 3.24Å; R503-D568 IonicContact CZ-OD2 2.68Å; R503-D568 VanDerWaalsContact NE-CG 3.28Å; R503-D568 IonicContact NE-OD1 2.97Å; R503-D568 PolarHBondContact NE-OD1 2.97Å; R503-D568 VanDerWaalsContact NE-OD1 3.09Å; R503-D568 IonicContact NE-OD2 2.71Å; R503-D568 PolarHBondContact NE-OD2 3.01Å; R503-D568 IonicContact NH2-OD1 2.63Å; R503-D568 PolarHBondContact NH2-OD1 2.88Å; R503-D568 IonicContact NH2-OD2 2.77Å; D568-D570 PolarHBondContact O-N 2.78Å |
| 569 | S | 70.2 | Confident | 79.3 | Confident | 40 Ų | 40 | 38.7 Ų | 38.7 | 28% | 0.28 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 2.7 | -174.3 | -66.5 | 0 | 0 | 0 | 0 | 116.9 | ||
| 570 | D | 80.1 | Confident | 79.6 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | trans | -84 | -12.5 | 161.3 | -68.8 | -45.6 | 0 | 0 | 0 | 113 | G497 W498 G499 F566 C567 D568 G572 G573 I589 | G497-D570 WeakPolarHBondContact CA-OD1 3.45Å; W498-D570 PolarHBondContact N-OD1 3.06Å; G499-D570 VanDerWaalsContact CA-OD1 3.27Å; G499-D570 WeakPolarHBondContact CA-OD1 3.29Å; G499-D570 PolarHBondContact N-OD1 3.16Å; F566-D570 WeakPolarHBondContact CA-OD2 2.95Å; F566-D570 HydrophobicContact CB-CB 3.84Å; C567-D570 PolarHBondContact N-OD2 2.04Å; C567-D570 WeakPolarHBondContact O-CB 3.17Å; C567-D570 PolarHBondContact O-N 2.93Å; D568-D570 PolarHBondContact O-N 2.78Å; D570-G572 PolarHBondContact O-N 3.34Å; D570-G573 WeakPolarHBondContact O-CA 3.47Å; D570-G573 PolarHBondContact O-N 3.09Å; D570-I589 HydrophobicContact CB-CD1 4.08Å; D570-I589 HydrophobicContact CB-CG2 4.45Å; D570-I589 WeakPolarHBondContact O-CD1 3.46Å | ||
| 571 | T | 87.2 | Confident | 80.5 | Confident | 14 Ų | 14 | 45 Ų | 45 | 9% | 0.086 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 136.5 | -178.8 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | C384 G385 A403 S405 C406 G573 | C384-T571 CarbonylContact C-O 3.53Å; C384-T571 WeakPolarHBondContact CA-O 3.09Å; C384-T571 WeakPolarHBondContact CB-O 3.45Å; C384-T571 PolarHBondContact SG-O 3.34Å; C384-T571 VanDerWaalsContact SG-O 3.38Å; G385-T571 PolarHBondContact N-O 3.2Å; A403-T571 HydrophobicContact CB-CG2 3.82Å; S405-T571 VanDerWaalsContact OG-CG2 3.32Å; S405-T571 WeakPolarHBondContact OG-CG2 3.21Å; C406-T571 PolarHBondContact SG-O 3.14Å; T571-G573 VanDerWaalsContact C-N 3.27Å; T571-G573 PolarHBondContact O-N 3.18Å |
| 572 | G | 90.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -16.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G385 G386 T402 D570 I589 | G385-G572 VanDerWaalsContact C-C 3.42Å; G385-G572 CarbonylContact C-O 3.54Å; G385-G572 CarbonylContact O-C 3.31Å; G385-G572 WeakPolarHBondContact O-CA 3.35Å; G386-G572 WeakPolarHBondContact CA-O 3.07Å; T402-G572 WeakPolarHBondContact OG1-CA 3.32Å; D570-G572 PolarHBondContact O-N 3.34Å; G572-I589 PolarHBondContact N-O 2.74Å |
| 573 | G | 91.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -64.4 | 163.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D570 T571 I589 | D570-G573 WeakPolarHBondContact O-CA 3.47Å; D570-G573 PolarHBondContact O-N 3.09Å; T571-G573 VanDerWaalsContact C-N 3.27Å; T571-G573 PolarHBondContact O-N 3.18Å; G573-I589 WeakPolarHBondContact O-CB 3.24Å; G573-I589 VanDerWaalsContact O-CG1 3.25Å; G573-I589 WeakPolarHBondContact O-CG1 3.21Å; G573-I589 PolarHBondContact O-N 2.96Å | ||
| 574 | P | 95.6 | Very high | 85.6 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 155 | -173.5 | 38.6 | -37.3 | 0 | 0 | 0 | 113.6 | M367 T387 V576 Q585 | M367-P574 HydrophobicContact CE-CG 4.45Å; M367-P574 WeakPolarHBondContact SD-CD 3.38Å; M367-P574 HydrophobicContact SD-CG 3.51Å; M367-P574 VanDerWaalsContact SD-CG 3.51Å; T387-P574 HydrophobicContact CG2-CB 3.67Å; T387-P574 HydrophobicContact CG2-CG 3.6Å; P574-V576 HydrophobicContact CB-CG1 3.74Å; P574-V576 HydrophobicContact CG-CG1 3.97Å; P574-Q585 HydrophobicContact CB-CG 3.72Å |
| 575 | L | 94.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 107.7 | 152.9 | 177.1 | 74.4 | 0 | 0 | 0 | 107.2 | C493 I494 V495 V534 I556 T558 Y586 G587 Y603 | C493-L575 HydrophobicContact CB-CD1 3.54Å; C493-L575 HydrophobicContact CB-CG 4.04Å; I494-L575 WeakPolarHBondContact O-CA 3.38Å; V495-L575 HydrophobicContact CG2-CD1 3.52Å; V534-L575 HydrophobicContact CG2-CD1 3.58Å; I556-L575 HydrophobicContact CG2-CD2 3.78Å; T558-L575 HydrophobicContact CG2-CD1 3.97Å; T558-L575 HydrophobicContact CG2-CD2 3.77Å; L575-Y586 PolarHBondContact O-N 2.87Å; L575-Y586 VanDerWaalsContact O-N 3.14Å; L575-G587 PolarHBondContact N-O 3.19Å; L575-G587 PolarHBondContact O-N 2.8Å; L575-Y603 HydrophobicContact CB-CD1 3.75Å; L575-Y603 HydrophobicContact CB-CE1 3.98Å; L575-Y603 HydrophobicContact CB-CG 4.16Å; L575-Y603 HydrophobicContact CD1-CE1 4.26Å; L575-Y603 HydrophobicContact CD1-CE2 4.49Å; L575-Y603 HydrophobicContact CD2-CD1 4.4Å; L575-Y603 HydrophobicContact CD2-CD2 3.91Å; L575-Y603 HydrophobicContact CD2-CE2 4.23Å; L575-Y603 HydrophobicContact CD2-CG 4.04Å |
| 576 | V | 96.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.9 | 179.8 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | I478 C493 I494 P574 W583 V584 Q585 | I478-V576 HydrophobicContact CD1-CB 4.32Å; I478-V576 HydrophobicContact CD1-CG1 3.82Å; I478-V576 HydrophobicContact CG1-CG1 3.91Å; C493-V576 CarbonylContact C-O 3.57Å; C493-V576 VanDerWaalsContact CA-O 3.32Å; C493-V576 WeakPolarHBondContact CA-O 3.39Å; C493-V576 WeakPolarHBondContact CB-O 3.24Å; I494-V576 HydrophobicContact CB-CG2 3.75Å; I494-V576 HydrophobicContact CD1-CG2 4.4Å; I494-V576 HydrophobicContact CG2-CG2 4.39Å; I494-V576 PolarHBondContact N-O 3.03Å; I494-V576 PolarHBondContact O-N 3.18Å; P574-V576 HydrophobicContact CB-CG1 3.74Å; P574-V576 HydrophobicContact CG-CG1 3.97Å; V576-W583 HydrophobicContact CB-CE3 4.31Å; V576-W583 HydrophobicContact CG2-CE3 3.88Å; V576-W583 HydrophobicContact CG2-CZ3 4.38Å; V576-V584 CarbonylContact C-O 3.5Å; V576-V584 VanDerWaalsContact CA-O 3.29Å; V576-V584 WeakPolarHBondContact CA-O 3.44Å; V576-Q585 HydrophobicContact CG1-CB 4.17Å |
| 577 | C | 95.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 152.8 | 177.4 | -44.1 | 0 | 0 | 0 | 0 | 108.9 | T491 C493 V584 Y586 | T491-C577 HydrophobicContact CG2-CB 4.17Å; C493-C577 HydrophobicContact CB-CB 4.03Å; C493-C577 WeakPolarHBondContact CB-SG 3.29Å; C493-C577 WeakPolarHBondContact SG-CB 3.49Å; C493-C577 CovalentContact SG-SG 2.04Å; C493-C577 PolarHBondContact SG-SG 2.62Å; C577-V584 PolarHBondContact N-O 3.13Å; C577-V584 PolarHBondContact O-N 3.26Å; C577-Y586 HydrophobicContact CB-CD2 3.71Å; C577-Y586 HydrophobicContact CB-CE2 3.87Å |
| 578 | K | 93.6 | Very high | 90.8 | Very high | 125 Ų | 125 | 27.5 Ų | 27.5 | 54% | 0.543 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120.6 | 179.6 | -162.2 | 175.3 | -175.7 | -179.8 | 0 | 110.2 | G581 K582 W583 | K578-G581 VanDerWaalsContact CE-O 3.29Å; K578-G581 WeakPolarHBondContact CE-O 3.22Å; K578-K582 CarbonylContact C-O 3.54Å; K578-K582 WeakPolarHBondContact CA-O 3.35Å; K578-W583 HydrophobicContact CB-CD2 4.36Å; K578-W583 HydrophobicContact CB-CE3 4.12Å; K578-W583 HydrophobicContact CB-CH2 4.18Å; K578-W583 HydrophobicContact CB-CZ2 4.42Å; K578-W583 HydrophobicContact CB-CZ3 4.03Å; K578-W583 HydrophobicContact CD-CZ2 4.22Å |
| 579 | S | 93.3 | Very high | 92 | Very high | 28 Ų | 28 | 25.3 Ų | 25.3 | 20% | 0.196 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 130.4 | 178.5 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | G581 K582 Y586 | S579-G581 PolarHBondContact O-N 3.07Å; S579-G581 VanDerWaalsContact O-N 3.08Å; S579-K582 PolarHBondContact N-O 2.88Å; S579-K582 PolarHBondContact O-N 3.31Å; S579-Y586 WeakPolarHBondContact CB-OH 3.25Å; S579-Y586 PolarHBondContact OG-OH 2.64Å |
| 580 | N | 90.1 | Very high | 92.7 | Very high | 163 Ų | 163 | 23.5 Ų | 23.5 | 87% | 0.872 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 40.5 | -179 | -61.9 | -37.9 | 0 | 0 | 0 | 114.2 | K582 | N580-K582 VanDerWaalsContact C-N 3.28Å; N580-K582 PolarHBondContact O-N 2.97Å |
| 581 | G | 89.2 | Confident | 92.2 | Very high | 57 Ų | 57 | 26.5 Ų | 26.5 | 59% | 0.588 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84 | -17.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K578 S579 | K578-G581 VanDerWaalsContact CE-O 3.29Å; K578-G581 WeakPolarHBondContact CE-O 3.22Å; S579-G581 PolarHBondContact O-N 3.07Å; S579-G581 VanDerWaalsContact O-N 3.08Å |
| 582 | K | 94.2 | Very high | 91 | Very high | 63 Ų | 63 | 26.3 Ų | 26.3 | 27% | 0.274 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 155.2 | -177.5 | -60 | -174.6 | 176.6 | -178.8 | 0 | 111.7 | E333 V336 K578 S579 N580 | E333-K582 IonicContact OE1-NZ 3.1Å; E333-K582 PolarHBondContact OE1-NZ 2.83Å; E333-K582 WeakPolarHBondContact OE2-CE 3.27Å; E333-K582 IonicContact OE2-NZ 3.17Å; E333-K582 PolarHBondContact OE2-NZ 2.93Å; V336-K582 HydrophobicContact CG2-CD 4.33Å; V336-K582 HydrophobicContact CG2-CG 3.97Å; K578-K582 CarbonylContact C-O 3.54Å; K578-K582 WeakPolarHBondContact CA-O 3.35Å; S579-K582 PolarHBondContact N-O 2.88Å; S579-K582 PolarHBondContact O-N 3.31Å; N580-K582 VanDerWaalsContact C-N 3.28Å; N580-K582 PolarHBondContact O-N 2.97Å |
| 583 | W | 96.5 | Very high | 89.5 | Confident | 16 Ų | 16 | 29.3 Ų | 29.3 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.8 | 172.1 | -67.5 | 95.8 | 0 | 0 | 0 | 110.7 | G335 I343 M345 W366 I478 C479 I494 V576 K578 | G335-W583 VanDerWaalsContact CA-O 3.31Å; G335-W583 WeakPolarHBondContact CA-O 3.19Å; G335-W583 PolarHBondContact O-N 2.92Å; I343-W583 HydrophobicContact CB-CZ2 4.45Å; I343-W583 HydrophobicContact CD1-CD2 4.36Å; I343-W583 HydrophobicContact CD1-CG 4.4Å; I343-W583 HydrophobicContact CD1-CZ2 4.33Å; I343-W583 HydrophobicContact CG2-CZ2 4.02Å; M345-W583 HydrophobicContact CE-CH2 3.97Å; M345-W583 HydrophobicContact CG-CH2 4.45Å; M345-W583 HydrophobicContact SD-CH2 3.67Å; M345-W583 HydrophobicContact SD-CZ2 4.32Å; W366-W583 HydrophobicContact CH2-CB 3.79Å; W366-W583 AromaticContact CH2-CD1 3.75Å; W366-W583 AromaticContact CH2-CG 3.82Å; W366-W583 HydrophobicContact CH2-CG 3.82Å; W366-W583 HydrophobicContact CZ2-CB 4.1Å; W366-W583 HydrophobicContact CZ2-CG 4.2Å; W366-W583 HydrophobicContact CZ3-CB 4.46Å; I478-W583 HydrophobicContact CD1-CB 3.58Å; I478-W583 WeakPolarHBondContact CD1-O 3.43Å; C479-W583 WeakPolarHBondContact CB-O 3.28Å; C479-W583 PolarHBondContact N-O 3.11Å; I494-W583 HydrophobicContact CD1-CE3 4.2Å; I494-W583 HydrophobicContact CD1-CH2 3.41Å; I494-W583 VanDerWaalsContact CD1-CH2 3.41Å; I494-W583 HydrophobicContact CD1-CZ2 3.97Å; I494-W583 HydrophobicContact CD1-CZ3 3.54Å; I494-W583 HydrophobicContact CG1-CH2 4.02Å; I494-W583 HydrophobicContact CG1-CZ3 3.92Å; V576-W583 HydrophobicContact CB-CE3 4.31Å; V576-W583 HydrophobicContact CG2-CE3 3.88Å; V576-W583 HydrophobicContact CG2-CZ3 4.38Å; K578-W583 HydrophobicContact CB-CD2 4.36Å; K578-W583 HydrophobicContact CB-CE3 4.12Å; K578-W583 HydrophobicContact CB-CH2 4.18Å; K578-W583 HydrophobicContact CB-CZ2 4.42Å; K578-W583 HydrophobicContact CB-CZ3 4.03Å; K578-W583 HydrophobicContact CD-CZ2 4.22Å |
| 584 | V | 97.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 31 Ų | 31 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 129.4 | -175.8 | -178 | 0 | 0 | 0 | 0 | 109.3 | C479 P481 V576 C577 Y586 | C479-V584 HydrophobicContact CB-CG2 4.03Å; C479-V584 WeakPolarHBondContact O-CA 3.21Å; P481-V584 HydrophobicContact CB-CG1 3.86Å; P481-V584 HydrophobicContact CG-CG1 4.38Å; V576-V584 CarbonylContact C-O 3.5Å; V576-V584 VanDerWaalsContact CA-O 3.29Å; V576-V584 WeakPolarHBondContact CA-O 3.44Å; C577-V584 PolarHBondContact N-O 3.13Å; C577-V584 PolarHBondContact O-N 3.26Å; V584-Y586 HydrophobicContact CB-CD2 4.07Å; V584-Y586 HydrophobicContact CB-CE2 3.61Å; V584-Y586 HydrophobicContact CG1-CD2 4Å; V584-Y586 HydrophobicContact CG1-CE1 4.28Å; V584-Y586 HydrophobicContact CG1-CE2 3.7Å; V584-Y586 HydrophobicContact CG1-CG 4.42Å; V584-Y586 HydrophobicContact CG2-CE2 4.5Å; V584-Y586 WeakPolarHBondContact O-CD2 3.23Å; V584-Y586 PolarHBondContact O-N 2.9Å |
| 585 | Q | 97.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 95.1 | 174.9 | -178.1 | 178.3 | -6.3 | 0 | 0 | 110.5 | T387 I478 C479 P481 P574 V576 G587 V606 | T387-Q585 PolarHBondContact OG1-OE1 2.82Å; I478-Q585 HydrophobicContact CG1-CB 3.86Å; I478-Q585 HydrophobicContact CG2-CB 4.01Å; C479-Q585 PolarHBondContact O-N 2.89Å; P481-Q585 WeakPolarHBondContact CD-O 3.27Å; P574-Q585 HydrophobicContact CB-CG 3.72Å; V576-Q585 HydrophobicContact CG1-CB 4.17Å; Q585-G587 VanDerWaalsContact CG-O 3.24Å; Q585-G587 WeakPolarHBondContact CG-O 3.34Å; Q585-G587 PolarHBondContact NE2-O 2.85Å; Q585-V606 HydrophobicContact CG-CG2 4.36Å |
| 586 | Y | 97.4 | Very high | 85.1 | Confident | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -35.3 | 175.2 | -69.5 | -87.3 | 0 | 0 | 0 | 112.8 | P481 E485 I487 I556 L575 C577 S579 V584 V606 | P481-Y586 HydrophobicContact CB-CD1 3.73Å; P481-Y586 HydrophobicContact CB-CE1 3.69Å; P481-Y586 HydrophobicContact CG-CD1 4.17Å; E485-Y586 HydrophobicContact CB-CE1 4.25Å; E485-Y586 HydrophobicContact CG-CE1 3.93Å; E485-Y586 PolarHBondContact OE1-OH 3.14Å; I487-Y586 HydrophobicContact CD1-CD1 4.23Å; I487-Y586 HydrophobicContact CD1-CD2 4.18Å; I487-Y586 HydrophobicContact CD1-CG 3.76Å; I487-Y586 HydrophobicContact CG1-CD1 3.57Å; I487-Y586 HydrophobicContact CG1-CD2 3.96Å; I487-Y586 HydrophobicContact CG1-CE1 4.01Å; I487-Y586 HydrophobicContact CG1-CE2 4.33Å; I487-Y586 HydrophobicContact CG1-CG 3.55Å; I556-Y586 VanDerWaalsContact CD1-C 3.41Å; I556-Y586 WeakPolarHBondContact CD1-O 3.23Å; L575-Y586 PolarHBondContact O-N 2.87Å; L575-Y586 VanDerWaalsContact O-N 3.14Å; C577-Y586 HydrophobicContact CB-CD2 3.71Å; C577-Y586 HydrophobicContact CB-CE2 3.87Å; S579-Y586 WeakPolarHBondContact CB-OH 3.25Å; S579-Y586 PolarHBondContact OG-OH 2.64Å; V584-Y586 HydrophobicContact CB-CD2 4.07Å; V584-Y586 HydrophobicContact CB-CE2 3.61Å; V584-Y586 HydrophobicContact CG1-CD2 4Å; V584-Y586 HydrophobicContact CG1-CE1 4.28Å; V584-Y586 HydrophobicContact CG1-CE2 3.7Å; V584-Y586 HydrophobicContact CG1-CG 4.42Å; V584-Y586 HydrophobicContact CG2-CE2 4.5Å; V584-Y586 WeakPolarHBondContact O-CD2 3.23Å; V584-Y586 PolarHBondContact O-N 2.9Å; Y586-V606 VanDerWaalsContact O-CB 3.25Å; Y586-V606 WeakPolarHBondContact O-CB 3.41Å; Y586-V606 WeakPolarHBondContact O-CG2 3.25Å; Y586-V606 PolarHBondContact O-N 3.23Å |
| 587 | G | 95.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 161.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L575 Q585 T604 | L575-G587 PolarHBondContact N-O 3.19Å; L575-G587 PolarHBondContact O-N 2.8Å; Q585-G587 VanDerWaalsContact CG-O 3.24Å; Q585-G587 WeakPolarHBondContact CG-O 3.34Å; Q585-G587 PolarHBondContact NE2-O 2.85Å; G587-T604 WeakPolarHBondContact CA-O 3.16Å |
| 588 | L | 94.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 132.4 | 174.4 | -174.6 | 146.9 | 0 | 0 | 0 | 110 | L401 T402 A403 I460 S590 Y603 T604 V606 | L401-L588 HydrophobicContact CD2-CD1 4.16Å; L401-L588 HydrophobicContact CG-CD1 3.85Å; T402-L588 WeakPolarHBondContact O-CD1 3.35Å; A403-L588 HydrophobicContact CB-CD2 3.8Å; I460-L588 HydrophobicContact CG1-CD1 4.43Å; L588-S590 PolarHBondContact O-N 2.79Å; L588-Y603 CarbonylContact O-C 3.54Å; L588-Y603 VanDerWaalsContact O-CA 3.29Å; L588-Y603 WeakPolarHBondContact O-CA 3.4Å; L588-Y603 WeakPolarHBondContact O-CB 3.29Å; L588-T604 PolarHBondContact N-O 3.49Å; L588-T604 PolarHBondContact O-N 2.74Å; L588-V606 HydrophobicContact CB-CG2 4.03Å |
| 589 | I | 90.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 111.9 | -175.6 | -60.5 | 167.2 | 0 | 0 | 0 | 109.2 | V495 F566 D570 G572 G573 Y603 | V495-I589 HydrophobicContact CG1-CD1 3.63Å; V495-I589 HydrophobicContact CG1-CG1 4.32Å; F566-I589 HydrophobicContact CB-CD1 4.08Å; F566-I589 HydrophobicContact CB-CG2 4.16Å; F566-I589 HydrophobicContact CD1-CG1 4.13Å; F566-I589 HydrophobicContact CD1-CG2 3.94Å; F566-I589 HydrophobicContact CD2-CG2 3.35Å; F566-I589 HydrophobicContact CE1-CG2 4.1Å; F566-I589 HydrophobicContact CE2-CG2 3.56Å; F566-I589 HydrophobicContact CG-CD1 4.37Å; F566-I589 HydrophobicContact CG-CG1 4.3Å; F566-I589 HydrophobicContact CG-CG2 3.56Å; F566-I589 HydrophobicContact CZ-CG2 3.94Å; D570-I589 HydrophobicContact CB-CD1 4.08Å; D570-I589 HydrophobicContact CB-CG2 4.45Å; D570-I589 WeakPolarHBondContact O-CD1 3.46Å; G572-I589 PolarHBondContact N-O 2.74Å; G573-I589 WeakPolarHBondContact O-CB 3.24Å; G573-I589 VanDerWaalsContact O-CG1 3.25Å; G573-I589 WeakPolarHBondContact O-CG1 3.21Å; G573-I589 PolarHBondContact O-N 2.96Å; I589-Y603 HydrophobicContact CG1-CD1 3.89Å; I589-Y603 HydrophobicContact CG1-CE1 3.83Å |
| 590 | S | 84.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | trans | -83.2 | -173.9 | 171.9 | -175.1 | 0 | 0 | 0 | 0 | 111 | T456 D459 L588 | T456-S590 WeakPolarHBondContact CB-OG 3.34Å; D459-S590 VanDerWaalsContact CB-OG 3.3Å; D459-S590 WeakPolarHBondContact CB-OG 3.42Å; D459-S590 WeakPolarHBondContact OD2-CA 3.48Å; D459-S590 WeakPolarHBondContact OD2-CB 3.34Å; D459-S590 PolarHBondContact OD2-OG 2.84Å; L588-S590 PolarHBondContact O-N 2.79Å | ||
| 591 | T | 70.2 | Confident | 80.7 | Confident | 66 Ų | 66 | 35 Ų | 35 | 41% | 0.405 | 19% | 0.192 | S | C | . | . | trans | -63.6 | 134.1 | 178.4 | -65 | 0 | 0 | 0 | 0 | 111.9 | S405 D459 V593 | S405-T591 WeakPolarHBondContact CB-OG1 3.31Å; S405-T591 PolarHBondContact OG-OG1 2.7Å; D459-T591 PolarHBondContact OD2-N 3.4Å; T591-V593 PolarHBondContact O-N 2.88Å; T591-V593 VanDerWaalsContact O-N 3.13Å | ||
| 592 | V | 62.3 | Low | 80.7 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | trans | -68.6 | 106.9 | 179.1 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | R503 F566 C567 | R503-V592 PolarHBondContact NH1-O 3.08Å; R503-V592 PolarHBondContact NH2-O 3.36Å; F566-V592 HydrophobicContact CD2-CG2 3.61Å; F566-V592 HydrophobicContact CE2-CG2 3.63Å; C567-V592 VanDerWaalsContact C-CG2 3.46Å; C567-V592 WeakPolarHBondContact O-CG2 3.24Å | ||
| 593 | V | 57.3 | Low | 80.6 | Confident | 63 Ų | 63 | 29.6 Ų | 29.6 | 38% | 0.382 | 15% | 0.153 | S | C | . | . | trans | -85.2 | 118.3 | 167.6 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | T456 Y548 T591 K598 | T456-V593 HydrophobicContact CG2-CG2 3.91Å; Y548-V593 HydrophobicContact CD1-CG1 4.3Å; Y548-V593 HydrophobicContact CE1-CB 4.28Å; Y548-V593 HydrophobicContact CE1-CG1 4.29Å; T591-V593 PolarHBondContact O-N 2.88Å; T591-V593 VanDerWaalsContact O-N 3.13Å; V593-K598 VanDerWaalsContact O-CE 3.25Å; V593-K598 WeakPolarHBondContact O-CE 3.27Å; V593-K598 PolarHBondContact O-NZ 3.15Å | ||
| 594 | G | 59.5 | Low | 80.5 | Confident | 34 Ų | 34 | 28.9 Ų | 28.9 | 35% | 0.351 | 15% | 0.15 | S | C | . | . | S | Bend | trans | 92.6 | -142.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R503 | R503-G594 WeakPolarHBondContact CD-O 3.32Å; R503-G594 PolarHBondContact NH1-O 3.27Å |
| 595 | R | 63.2 | Low | 80.4 | Confident | 210 Ų | 210 | 29.2 Ų | 29.2 | 79% | 0.792 | 15% | 0.152 | S | C | * | . | trans | -92.4 | 155.3 | 177.1 | -60.2 | -178 | -172.6 | -174.1 | 3.7 | 110.2 | K598 | R595-K598 WeakPolarHBondContact O-CG 3.46Š| ||
| 596 | C | 68.6 | Low | 80.4 | Confident | 23 Ų | 23 | 29.2 Ų | 29.2 | 16% | 0.155 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -74.1 | 154.7 | 170.5 | -47.4 | 0 | 0 | 0 | 0 | 110.5 | C567 | C567-C596 WeakPolarHBondContact CA-SG 3.02Å; C567-C596 HydrophobicContact CB-CB 3.55Å; C567-C596 WeakPolarHBondContact CB-SG 3.43Å; C567-C596 WeakPolarHBondContact SG-CB 3.49Å; C567-C596 CovalentContact SG-SG 2.03Å; C567-C596 PolarHBondContact SG-SG 3.3Å |
| 597 | G | 62.7 | Low | 80.4 | Confident | 10 Ų | 10 | 29 Ų | 29 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 70.3 | 48.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S354 H563 | S354-G597 WeakPolarHBondContact OG-CA 3.44Å; H563-G597 VanDerWaalsContact CB-O 3.27Å; H563-G597 WeakPolarHBondContact CB-O 3.21Å; H563-G597 PolarHBondContact ND1-O 3.47Å; H563-G597 WeakPolarHBondContact O-CA 3.43Å |
| 598 | K | 68.3 | Low | 80.4 | Confident | 44 Ų | 44 | 31.5 Ų | 31.5 | 19% | 0.191 | 17% | 0.169 | C | C | . | . | trans | -72.7 | 160.7 | 170.1 | -72.1 | -179.9 | 164.9 | -170.6 | 0 | 110.1 | S560 V593 R595 F600 | S560-K598 PolarHBondContact OG-O 2.71Å; V593-K598 VanDerWaalsContact O-CE 3.25Å; V593-K598 WeakPolarHBondContact O-CE 3.27Å; V593-K598 PolarHBondContact O-NZ 3.15Å; R595-K598 WeakPolarHBondContact O-CG 3.46Å; K598-F600 VanDerWaalsContact C-N 3.25Å; K598-F600 VanDerWaalsContact CB-O 3.26Å; K598-F600 WeakPolarHBondContact CB-O 3.47Å | ||
| 599 | E | 75 | Confident | 80.5 | Confident | 96 Ų | 96 | 32 Ų | 32 | 45% | 0.449 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -65 | -35.5 | 167.7 | -170.1 | -172.2 | 163.8 | 0 | 0 | 110.9 | Q559 S560 | Q559-E599 CarbonylContact C-O 3.59Å; Q559-E599 VanDerWaalsContact CA-O 3.27Å; Q559-E599 WeakPolarHBondContact CA-O 3.42Å; Q559-E599 HydrophobicContact CG-CG 4.21Å; Q559-E599 PolarHBondContact NE2-OE1 3.1Å; S560-E599 PolarHBondContact N-O 2.74Å |
| 600 | F | 84.8 | Confident | 80.8 | Confident | 10 Ų | 10 | 32.3 Ų | 32.3 | 4% | 0.044 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130 | 177.6 | -61.5 | -82.6 | 0 | 0 | 0 | 111.3 | A537 I541 C542 K545 L546 T558 Q559 K598 | A537-F600 HydrophobicContact CB-CD1 4.11Å; A537-F600 HydrophobicContact CB-CE1 4.07Å; I541-F600 HydrophobicContact CG2-CE1 3.9Å; I541-F600 HydrophobicContact CG2-CE2 4.32Å; I541-F600 HydrophobicContact CG2-CZ 3.56Å; C542-F600 WeakPolarHBondContact SG-CD1 3.22Å; K545-F600 HydrophobicContact CB-CD2 3.83Å; K545-F600 HydrophobicContact CB-CE2 4.02Å; K545-F600 HydrophobicContact CG-CD2 4.09Å; K545-F600 HydrophobicContact CG-CE2 3.73Å; K545-F600 HydrophobicContact CG-CZ 4.42Å; L546-F600 HydrophobicContact CD2-CB 4.44Å; T558-F600 WeakPolarHBondContact O-CA 3.08Å; Q559-F600 HydrophobicContact CB-CD1 3.97Å; Q559-F600 HydrophobicContact CB-CE1 3.69Å; Q559-F600 HydrophobicContact CB-CZ 4.49Å; Q559-F600 HydrophobicContact CG-CD1 4.05Å; Q559-F600 HydrophobicContact CG-CE1 3.55Å; Q559-F600 HydrophobicContact CG-CZ 3.86Å; K598-F600 VanDerWaalsContact C-N 3.25Å; K598-F600 VanDerWaalsContact CB-O 3.26Å; K598-F600 WeakPolarHBondContact CB-O 3.47Å |
| 601 | D | 85.4 | Confident | 81.4 | Confident | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.064 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150 | 176.7 | -82.1 | -30.3 | 0 | 0 | 0 | 110.6 | C557 T558 G565 F566 Y603 | C557-D601 WeakPolarHBondContact CA-O 3.32Å; T558-D601 PolarHBondContact N-O 3.49Å; T558-D601 PolarHBondContact O-N 2.92Å; G565-D601 WeakPolarHBondContact CA-OD2 3.2Å; F566-D601 HydrophobicContact CD1-CB 4.33Å; F566-D601 HydrophobicContact CE1-CB 3.74Å; F566-D601 HydrophobicContact CZ-CB 4.36Å; D601-Y603 HydrophobicContact CB-CE2 4.08Å |
| 602 | T | 89.4 | Confident | 82.7 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 144.3 | -177.7 | 64.9 | 0 | 0 | 0 | 0 | 112.9 | L546 Y548 I550 I556 | L546-T602 HydrophobicContact CD1-CG2 3.38Å; Y548-T602 HydrophobicContact CE2-CG2 4.44Å; Y548-T602 WeakPolarHBondContact OH-CG2 3.46Å; Y548-T602 PolarHBondContact OH-OG1 3.43Å; I550-T602 HydrophobicContact CG2-CG2 4.27Å; I556-T602 CarbonylContact O-C 3.54Å; I556-T602 WeakPolarHBondContact O-CA 3.07Å |
| 603 | Y | 92.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145 | -176.5 | -51.8 | -101.3 | 0 | 0 | 0 | 109.4 | V495 F555 I556 T558 F566 L575 L588 I589 D601 N605 | V495-Y603 HydrophobicContact CG1-CE1 4.4Å; V495-Y603 HydrophobicContact CG2-CE1 3.94Å; V495-Y603 WeakPolarHBondContact CG2-OH 3.39Å; F555-Y603 CarbonylContact C-O 3.56Å; F555-Y603 VanDerWaalsContact CA-O 3.28Å; F555-Y603 WeakPolarHBondContact CA-O 3.35Å; I556-Y603 PolarHBondContact N-O 2.95Å; I556-Y603 PolarHBondContact O-N 2.92Å; T558-Y603 HydrophobicContact CG2-CD2 4.19Å; T558-Y603 HydrophobicContact CG2-CE2 3.62Å; T558-Y603 VanDerWaalsContact OG1-CE2 3.28Å; T558-Y603 WeakPolarHBondContact OG1-CE2 3.29Å; T558-Y603 PolarHBondContact OG1-OH 3.23Å; F566-Y603 AromaticContact CD1-CE1 3.64Å; F566-Y603 HydrophobicContact CD1-CE1 3.64Å; F566-Y603 AromaticContact CD1-CZ 3.79Å; F566-Y603 HydrophobicContact CE1-CD1 4.13Å; F566-Y603 AromaticContact CE1-CE1 3.55Å; F566-Y603 HydrophobicContact CE1-CE1 3.55Å; F566-Y603 HydrophobicContact CE1-CE2 4.24Å; F566-Y603 AromaticContact CE1-CZ 3.6Å; L575-Y603 HydrophobicContact CB-CD1 3.75Å; L575-Y603 HydrophobicContact CB-CE1 3.98Å; L575-Y603 HydrophobicContact CB-CG 4.16Å; L575-Y603 HydrophobicContact CD1-CE1 4.26Å; L575-Y603 HydrophobicContact CD1-CE2 4.49Å; L575-Y603 HydrophobicContact CD2-CD1 4.4Å; L575-Y603 HydrophobicContact CD2-CD2 3.91Å; L575-Y603 HydrophobicContact CD2-CE2 4.23Å; L575-Y603 HydrophobicContact CD2-CG 4.04Å; L588-Y603 CarbonylContact O-C 3.54Å; L588-Y603 VanDerWaalsContact O-CA 3.29Å; L588-Y603 WeakPolarHBondContact O-CA 3.4Å; L588-Y603 WeakPolarHBondContact O-CB 3.29Å; I589-Y603 HydrophobicContact CG1-CD1 3.89Å; I589-Y603 HydrophobicContact CG1-CE1 3.83Å; D601-Y603 HydrophobicContact CB-CE2 4.08Å; Y603-N605 PolarHBondContact O-N 3.18Å |
| 604 | T | 94 | Very high | 86.2 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 125 | 169.9 | -54.1 | 0 | 0 | 0 | 0 | 109 | D459 I460 G587 L588 V606 Y609 | D459-T604 PolarHBondContact O-OG1 3.28Å; D459-T604 VanDerWaalsContact O-OG1 3.09Å; I460-T604 HydrophobicContact CB-CG2 4.28Å; G587-T604 WeakPolarHBondContact CA-O 3.16Å; L588-T604 PolarHBondContact N-O 3.49Å; L588-T604 PolarHBondContact O-N 2.74Å; T604-V606 PolarHBondContact O-N 3.07Å; T604-V606 VanDerWaalsContact O-N 3.16Å; T604-Y609 HydrophobicContact CG2-CD2 3.83Å; T604-Y609 HydrophobicContact CG2-CE2 3.41Å; T604-Y609 VanDerWaalsContact CG2-CE2 3.41Å |
| 605 | N | 95.4 | Very high | 88 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 98.4 | -176.4 | -174.9 | -4.8 | 0 | 0 | 0 | 111.5 | E552 E554 I556 Y603 S607 S608 Y609 | E552-N605 PolarHBondContact O-ND2 3.45Å; E554-N605 WeakPolarHBondContact O-CB 3.35Å; E554-N605 PolarHBondContact O-N 2.01Å; I556-N605 HydrophobicContact CD1-CB 4.2Å; I556-N605 HydrophobicContact CG1-CB 3.99Å; Y603-N605 PolarHBondContact O-N 3.18Å; N605-S607 VanDerWaalsContact C-N 3.25Å; N605-S607 PolarHBondContact O-N 3.1Å; N605-S607 PolarHBondContact OD1-N 3.25Å; N605-S607 PolarHBondContact OD1-OG 2.74Å; N605-S607 VanDerWaalsContact OD1-OG 3.07Å; N605-S608 PolarHBondContact ND2-OG 2.84Å; N605-S608 WeakPolarHBondContact O-CB 3.43Å; N605-S608 PolarHBondContact O-N 3.44Å; N605-S608 VanDerWaalsContact O-N 3.1Å; N605-Y609 WeakPolarHBondContact O-CD2 3.31Å |
| 606 | V | 97.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -60.8 | -31.8 | -174.6 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | L401 L480 P481 Q585 Y586 L588 T604 S608 Y609 I610 I613 | L401-V606 HydrophobicContact CD2-CG1 4.06Å; L401-V606 HydrophobicContact CD2-CG2 4.37Å; L480-V606 HydrophobicContact CD2-CG1 3.94Å; P481-V606 HydrophobicContact CG-CB 4.46Å; P481-V606 HydrophobicContact CG-CG1 4.35Å; Q585-V606 HydrophobicContact CG-CG2 4.36Å; Y586-V606 VanDerWaalsContact O-CB 3.25Å; Y586-V606 WeakPolarHBondContact O-CB 3.41Å; Y586-V606 WeakPolarHBondContact O-CG2 3.25Å; Y586-V606 PolarHBondContact O-N 3.23Å; L588-V606 HydrophobicContact CB-CG2 4.03Å; T604-V606 PolarHBondContact O-N 3.07Å; T604-V606 VanDerWaalsContact O-N 3.16Å; V606-S608 PolarHBondContact O-N 2.9Å; V606-Y609 PolarHBondContact O-N 2.9Å; V606-I610 HydrophobicContact CG1-CD1 4.15Å; V606-I610 PolarHBondContact O-N 2.81Å; V606-I613 HydrophobicContact CG1-CD1 3.97Å |
| 607 | S | 96.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -64.9 | -24.5 | 179.5 | 81.5 | 0 | 0 | 0 | 0 | 112.8 | Q482 P483 G484 E485 N605 | Q482-S607 WeakPolarHBondContact O-CB 3.14Å; P483-S607 WeakPolarHBondContact CA-O 3.39Å; G484-S607 PolarHBondContact N-O 3.25Å; E485-S607 WeakPolarHBondContact O-CB 3.33Å; E485-S607 PolarHBondContact O-OG 3.06Å; N605-S607 VanDerWaalsContact C-N 3.25Å; N605-S607 PolarHBondContact O-N 3.1Å; N605-S607 PolarHBondContact OD1-N 3.25Å; N605-S607 PolarHBondContact OD1-OG 2.74Å; N605-S607 VanDerWaalsContact OD1-OG 3.07Å |
| 608 | S | 96.3 | Very high | 92.3 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 37% | 0.371 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -78.6 | -16.8 | 173.9 | -54.8 | 0 | 0 | 0 | 0 | 113.9 | N553 N605 V606 | N553-S608 WeakPolarHBondContact O-CB 3.4Å; N553-S608 PolarHBondContact O-OG 2.95Å; N605-S608 PolarHBondContact ND2-OG 2.84Å; N605-S608 WeakPolarHBondContact O-CB 3.43Å; N605-S608 PolarHBondContact O-N 3.44Å; N605-S608 VanDerWaalsContact O-N 3.1Å; V606-S608 PolarHBondContact O-N 2.9Å |
| 609 | Y | 96.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 4% | 0.035 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 0.3 | -176.5 | -65 | -78.6 | 0 | 0 | 0 | 114.5 | H448 N458 I460 T604 N605 V606 H611 W612 I613 | H448-Y609 AromaticContact CD2-CD1 3.86Å; H448-Y609 AromaticContact CD2-CE1 3.86Å; H448-Y609 AromaticContact NE2-CE1 3.82Å; N458-Y609 WeakPolarHBondContact CA-OH 3.32Å; N458-Y609 HydrophobicContact CB-CE1 4.16Å; N458-Y609 WeakPolarHBondContact OD1-CE1 3.37Å; N458-Y609 PolarHBondContact OD1-OH 2.77Å; I460-Y609 HydrophobicContact CD1-CD2 4.2Å; I460-Y609 HydrophobicContact CD1-CG 4.04Å; I460-Y609 HydrophobicContact CG2-CD1 4.03Å; I460-Y609 HydrophobicContact CG2-CE1 4.34Å; I460-Y609 HydrophobicContact CG2-CG 4.16Å; T604-Y609 HydrophobicContact CG2-CD2 3.83Å; T604-Y609 HydrophobicContact CG2-CE2 3.41Å; T604-Y609 VanDerWaalsContact CG2-CE2 3.41Å; N605-Y609 WeakPolarHBondContact O-CD2 3.31Å; V606-Y609 PolarHBondContact O-N 2.9Å; Y609-H611 VanDerWaalsContact C-N 3.32Å; Y609-H611 PolarHBondContact O-N 2.91Å; Y609-W612 CarbonylContact O-C 3.14Å; Y609-W612 WeakPolarHBondContact O-CA 3.47Å; Y609-W612 WeakPolarHBondContact O-CB 3.44Å; Y609-W612 PolarHBondContact O-N 2.93Å; Y609-I613 WeakPolarHBondContact O-CG1 3.38Å; Y609-I613 PolarHBondContact O-N 3.33Å |
| 610 | I | 97.3 | Very high | 94.4 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.2 | -42.9 | -175.7 | -59.6 | -61 | 0 | 0 | 0 | 113.8 | L480 P481 P483 V606 I613 K614 | L480-I610 HydrophobicContact CB-CD1 3.97Å; L480-I610 HydrophobicContact CD1-CD1 4.42Å; P481-I610 HydrophobicContact CG-CD1 4.15Å; P481-I610 VanDerWaalsContact O-CD1 3.28Å; P481-I610 WeakPolarHBondContact O-CD1 3.45Å; P481-I610 WeakPolarHBondContact O-CG1 3.11Å; P483-I610 HydrophobicContact CG-CB 4.12Å; P483-I610 HydrophobicContact CG-CG2 3.9Å; V606-I610 HydrophobicContact CG1-CD1 4.15Å; V606-I610 PolarHBondContact O-N 2.81Å; I610-I613 HydrophobicContact CD1-CD1 4.42Å; I610-I613 PolarHBondContact O-N 2.99Å; I610-K614 WeakPolarHBondContact O-CG 3.32Å; I610-K614 PolarHBondContact O-N 2.05Å; I610-K614 VanDerWaalsContact O-N 3.13Å |
| 611 | H | 96.3 | Very high | 94.9 | Very high | 142 Ų | 142 | 41.5 Ų | 41.5 | 66% | 0.657 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.6 | -40.7 | 176.5 | -70.9 | -79.2 | 0 | 0 | 0 | 112.2 | Y609 Q615 | Y609-H611 VanDerWaalsContact C-N 3.32Å; Y609-H611 PolarHBondContact O-N 2.91Å; H611-Q615 PolarHBondContact O-N 3.5Å; H611-Q615 VanDerWaalsContact O-N 3.09Å |
| 612 | W | 97.2 | Very high | 95.3 | Very high | 26 Ų | 26 | 44.5 Ų | 44.5 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.5 | -38.6 | 176.5 | 172.4 | 81 | 0 | 0 | 0 | 112 | V446 T447 H448 I460 V462 Y609 K614 Q615 A616 | V446-W612 HydrophobicContact CG1-CZ2 4.14Å; T447-W612 VanDerWaalsContact C-CZ2 3.47Å; H448-W612 VanDerWaalsContact CA-CZ2 3.48Å; H448-W612 HydrophobicContact CB-CD2 4.35Å; H448-W612 HydrophobicContact CB-CH2 4.39Å; H448-W612 HydrophobicContact CB-CZ2 3.96Å; H448-W612 AromaticContact CD2-CD1 3.66Å; H448-W612 AromaticContact CD2-CD2 3.78Å; H448-W612 AromaticContact CD2-CE2 3.96Å; H448-W612 AromaticContact CD2-CG 3.63Å; H448-W612 AromaticContact CD2-NE1 3.83Å; H448-W612 VanDerWaalsContact N-CZ2 3.26Å; I460-W612 HydrophobicContact CB-CZ3 4.3Å; I460-W612 HydrophobicContact CD1-CE3 4.5Å; I460-W612 HydrophobicContact CD1-CZ3 4.13Å; I460-W612 HydrophobicContact CG1-CZ3 3.91Å; I460-W612 HydrophobicContact CG2-CE3 4.02Å; I460-W612 HydrophobicContact CG2-CH2 4.15Å; I460-W612 HydrophobicContact CG2-CZ3 3.66Å; V462-W612 HydrophobicContact CG2-CH2 3.85Å; V462-W612 HydrophobicContact CG2-CZ3 3.78Å; Y609-W612 CarbonylContact O-C 3.14Å; Y609-W612 WeakPolarHBondContact O-CA 3.47Å; Y609-W612 WeakPolarHBondContact O-CB 3.44Å; Y609-W612 PolarHBondContact O-N 2.93Å; W612-K614 VanDerWaalsContact C-N 3.33Å; W612-K614 PolarHBondContact O-N 3.18Å; W612-Q615 PolarHBondContact O-N 2.93Å; W612-A616 HydrophobicContact CH2-CB 4.21Å; W612-A616 HydrophobicContact CZ2-CB 3.89Å; W612-A616 VanDerWaalsContact O-CB 3.32Å; W612-A616 WeakPolarHBondContact O-CB 3.1Å; W612-A616 PolarHBondContact O-N 2.82Å |
| 613 | I | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 175.6 | -67.6 | 168.6 | 0 | 0 | 0 | 110.2 | I389 L391 L401 I460 V462 L480 V606 Y609 I610 Q615 A616 D617 | I389-I613 HydrophobicContact CD1-CG2 3.98Å; L391-I613 HydrophobicContact CD1-CG2 4.27Å; L391-I613 HydrophobicContact CD2-CG2 4.14Å; L401-I613 HydrophobicContact CD1-CD1 3.91Å; L401-I613 HydrophobicContact CD1-CG1 4.11Å; L401-I613 HydrophobicContact CD2-CD1 4.21Å; I460-I613 HydrophobicContact CD1-CD1 4.07Å; I460-I613 HydrophobicContact CD1-CG1 4.28Å; V462-I613 HydrophobicContact CG2-CB 4.42Å; V462-I613 HydrophobicContact CG2-CG1 4.34Å; V462-I613 HydrophobicContact CG2-CG2 4.11Å; L480-I613 HydrophobicContact CD1-CG2 4.35Å; V606-I613 HydrophobicContact CG1-CD1 3.97Å; Y609-I613 WeakPolarHBondContact O-CG1 3.38Å; Y609-I613 PolarHBondContact O-N 3.33Å; I610-I613 HydrophobicContact CD1-CD1 4.42Å; I610-I613 PolarHBondContact O-N 2.99Å; I613-Q615 PolarHBondContact O-N 3.38Å; I613-A616 PolarHBondContact O-N 3.31Å; I613-D617 PolarHBondContact O-N 3.1Å |
| 614 | K | 96.7 | Very high | 95.1 | Very high | 118 Ų | 118 | 49.3 Ų | 49.3 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 176.2 | -70.8 | 178.1 | 178.3 | -176.9 | 0 | 112.8 | L391 I610 W612 S618 | L391-K614 HydrophobicContact CD2-CG 4.28Å; I610-K614 WeakPolarHBondContact O-CG 3.32Å; I610-K614 PolarHBondContact O-N 2.05Å; I610-K614 VanDerWaalsContact O-N 3.13Å; W612-K614 VanDerWaalsContact C-N 3.33Å; W612-K614 PolarHBondContact O-N 3.18Å; K614-S618 PolarHBondContact O-N 3.34Å; K614-S618 VanDerWaalsContact O-N 3.16Å |
| 615 | Q | 96.5 | Very high | 95 | Very high | 117 Ų | 117 | 55.1 Ų | 55.1 | 55% | 0.547 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.2 | -40.5 | 175.2 | -172.4 | -177.9 | 30.9 | 0 | 0 | 112.3 | H611 W612 I613 D617 S618 L619 | H611-Q615 PolarHBondContact O-N 3.5Å; H611-Q615 VanDerWaalsContact O-N 3.09Å; W612-Q615 PolarHBondContact O-N 2.93Å; I613-Q615 PolarHBondContact O-N 3.38Å; Q615-D617 VanDerWaalsContact C-N 3.32Å; Q615-D617 PolarHBondContact O-N 3.18Å; Q615-S618 PolarHBondContact O-N 3.1Å; Q615-S618 PolarHBondContact O-OG 2.87Å; Q615-S618 VanDerWaalsContact O-OG 3.11Å; Q615-L619 HydrophobicContact CG-CD1 4.33Å; Q615-L619 VanDerWaalsContact O-CG 3.25Å; Q615-L619 WeakPolarHBondContact O-CG 3.25Å; Q615-L619 PolarHBondContact O-N 3.42Å; Q615-L619 VanDerWaalsContact O-N 3.16Å |
| 616 | A | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V446 V462 W612 I613 M620 | V446-A616 HydrophobicContact CB-CB 4.11Å; V446-A616 HydrophobicContact CG1-CB 4Å; V462-A616 HydrophobicContact CB-CB 4.13Å; V462-A616 HydrophobicContact CG2-CB 3.83Å; W612-A616 HydrophobicContact CH2-CB 4.21Å; W612-A616 HydrophobicContact CZ2-CB 3.89Å; W612-A616 VanDerWaalsContact O-CB 3.32Å; W612-A616 WeakPolarHBondContact O-CB 3.1Å; W612-A616 PolarHBondContact O-N 2.82Å; I613-A616 PolarHBondContact O-N 3.31Å; A616-M620 WeakPolarHBondContact O-CE 3.34Å |
| 617 | D | 94.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.08 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 173.8 | -166.9 | 87.4 | 0 | 0 | 0 | 111.9 | L391 T399 R464 I613 Q615 L619 M620 | L391-D617 HydrophobicContact CD1-CB 3.43Å; L391-D617 VanDerWaalsContact CD1-CB 3.43Å; L391-D617 VanDerWaalsContact CD1-CG 3.49Å; T399-D617 WeakPolarHBondContact CG2-OD1 3.44Å; T399-D617 PolarHBondContact OG1-OD1 3.43Å; R464-D617 IonicContact CZ-OD1 2.68Å; R464-D617 IonicContact CZ-OD2 3.97Å; R464-D617 IonicContact NH1-OD1 2.68Å; R464-D617 IonicContact NH1-OD2 2.64Å; R464-D617 PolarHBondContact NH2-O 2.77Å; R464-D617 IonicContact NH2-OD1 2.9Å; R464-D617 PolarHBondContact NH2-OD1 3.47Å; R464-D617 IonicContact NH2-OD2 2.81Å; R464-D617 PolarHBondContact NH2-OD2 2.96Å; I613-D617 PolarHBondContact O-N 3.1Å; Q615-D617 VanDerWaalsContact C-N 3.32Å; Q615-D617 PolarHBondContact O-N 3.18Å; D617-L619 PolarHBondContact O-N 3.34Å; D617-M620 PolarHBondContact O-N 3.49Å |
| 618 | S | 94 | Very high | 94.1 | Very high | 94 Ų | 94 | 61 Ų | 61 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.9 | -19.4 | -178.4 | 70.3 | 0 | 0 | 0 | 0 | 114.6 | K614 Q615 M620 | K614-S618 PolarHBondContact O-N 3.34Å; K614-S618 VanDerWaalsContact O-N 3.16Å; Q615-S618 PolarHBondContact O-N 3.1Å; Q615-S618 PolarHBondContact O-OG 2.87Å; Q615-S618 VanDerWaalsContact O-OG 3.11Å; S618-M620 VanDerWaalsContact C-N 3.33Å |
| 619 | L | 93.7 | Very high | 93.1 | Very high | 126 Ų | 126 | 61.4 Ų | 61.4 | 66% | 0.66 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -12.6 | 172.2 | -71.7 | 169.3 | 0 | 0 | 0 | 113.7 | Q615 D617 | Q615-L619 HydrophobicContact CG-CD1 4.33Å; Q615-L619 VanDerWaalsContact O-CG 3.25Å; Q615-L619 WeakPolarHBondContact O-CG 3.25Å; Q615-L619 PolarHBondContact O-N 3.42Å; Q615-L619 VanDerWaalsContact O-N 3.16Å; D617-L619 PolarHBondContact O-N 3.34Å |
| 620 | M | 94.9 | Very high | 92.1 | Very high | 14 Ų | 14 | 66.2 Ų | 66.2 | 7% | 0.069 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -106.3 | 136 | -176.7 | -68.3 | -169.9 | -71.9 | 0 | 0 | 112.3 | S444 V446 V462 R464 A616 D617 S618 K622 | S444-M620 WeakPolarHBondContact OG-CG 3.45Å; S444-M620 PolarHBondContact OG-SD 3.39Å; V446-M620 HydrophobicContact CG2-CE 4.42Å; V446-M620 HydrophobicContact CG2-CG 3.78Å; V446-M620 HydrophobicContact CG2-SD 3.81Å; V462-M620 HydrophobicContact CB-CE 3.99Å; V462-M620 HydrophobicContact CG1-CE 3.69Å; R464-M620 HydrophobicContact CB-CB 4.16Å; R464-M620 HydrophobicContact CB-CE 4.01Å; R464-M620 HydrophobicContact CB-SD 3.62Å; R464-M620 HydrophobicContact CG-CB 4.37Å; R464-M620 PolarHBondContact NH2-O 3.11Å; A616-M620 WeakPolarHBondContact O-CE 3.34Å; D617-M620 PolarHBondContact O-N 3.49Å; S618-M620 VanDerWaalsContact C-N 3.33Å; M620-K622 PolarHBondContact O-N 3.16Å |
| 621 | V | 93.8 | Very high | 91.3 | Very high | 109 Ų | 109 | 70 Ų | 70 | 66% | 0.661 | 37% | 0.368 | S | S | * | . | trans | -68.8 | 114.4 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | K443 | K443-V621 WeakPolarHBondContact CD-O 3.43Å; K443-V621 VanDerWaalsContact CE-O 3.27Å; K443-V621 WeakPolarHBondContact CE-O 3.39Å; K443-V621 PolarHBondContact NZ-O 3.16Å; K443-V621 VanDerWaalsContact NZ-O 3.08Å | ||
| 622 | K | 93.7 | Very high | 90.2 | Very high | 76 Ų | 76 | 63.6 Ų | 63.6 | 33% | 0.33 | 34% | 0.339 | S | S | . | . | trans | -49.6 | 153.2 | 178.3 | -59.5 | -158.3 | 175.4 | 178.7 | 0 | 113.3 | E392 D398 K443 M620 | E392-K622 IonicContact OE1-NZ 2.65Å; E392-K622 PolarHBondContact OE1-NZ 2.98Å; E392-K622 IonicContact OE2-NZ 3.33Å; E392-K622 PolarHBondContact OE2-NZ 2.72Å; D398-K622 WeakPolarHBondContact OD2-CA 3.13Å; K443-K622 PolarHBondContact NZ-O 2.85Å; M620-K622 PolarHBondContact O-N 3.16Å | ||
| 623 | A | 93.3 | Very high | 88.8 | Confident | 7 Ų | 7 | 70.9 Ų | 70.9 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | trans | -57.7 | 151.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | D398 Y468 | D398-A623 HydrophobicContact CB-CB 3.64Å; D398-A623 WeakPolarHBondContact OD2-CB 3.15Å; D398-A623 PolarHBondContact OD2-N 3.19Å; Y468-A623 HydrophobicContact CD1-CB 4.46Å; Y468-A623 HydrophobicContact CD2-CB 3.73Å; Y468-A623 HydrophobicContact CE1-CB 4.49Å; Y468-A623 HydrophobicContact CE2-CB 3.78Å; Y468-A623 WeakPolarHBondContact CE2-O 3.4Å; Y468-A623 HydrophobicContact CG-CB 4.07Å; Y468-A623 PolarHBondContact OH-O 3.28Å | ||
| 624 | S | 85.6 | Confident | 87.1 | Confident | 100 Ų | 100 | 73.5 Ų | 73.5 | 70% | 0.699 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -106.7 | -13.9 | -177.1 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 625 | Q | 91.7 | Very high | 84.6 | Confident | 123 Ų | 123 | 72.8 Ų | 72.8 | 58% | 0.575 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -141 | 155.1 | -173.2 | -67.5 | -178.2 | -0.4 | 0 | 0 | 110.7 | H467 Y468 | H467-Q625 CarbonylContact C-O 3.56Å; H467-Q625 VanDerWaalsContact CA-O 3.28Å; H467-Q625 WeakPolarHBondContact CA-O 3.37Å; Y468-Q625 PolarHBondContact N-O 3.02Å |
| 626 | L | 91.5 | Very high | 82.3 | Confident | 87 Ų | 87 | 69.4 Ų | 69.4 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -83.5 | 143.2 | 174 | -166.3 | 65.1 | 0 | 0 | 0 | 110.1 | Q396 P470 | Q396-L626 HydrophobicContact CB-CD1 4.05Å; P470-L626 HydrophobicContact CB-CD1 3.98Å; P470-L626 HydrophobicContact CB-CD2 4.45Å; P470-L626 HydrophobicContact CB-CG 4.41Å; P470-L626 HydrophobicContact CG-CD1 4.24Å; P470-L626 HydrophobicContact CG-CG 4.33Å |
| 627 | F | 91.3 | Very high | 79.4 | Confident | 14 Ų | 14 | 70.9 Ų | 70.9 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 136.7 | 171.8 | -168.8 | -108 | 0 | 0 | 0 | 110.2 | R437 I440 H467 Y468 S629 F631 I632 | R437-F627 VanDerWaalsContact O-CZ 3.29Å; R437-F627 WeakPolarHBondContact O-CZ 3.41Å; I440-F627 HydrophobicContact CB-CD2 4.44Å; I440-F627 HydrophobicContact CB-CE2 4.49Å; I440-F627 HydrophobicContact CD1-CB 3.9Å; I440-F627 HydrophobicContact CD1-CD1 4Å; I440-F627 HydrophobicContact CD1-CD2 4.03Å; I440-F627 HydrophobicContact CD1-CG 3.7Å; I440-F627 HydrophobicContact CG1-CB 4.49Å; I440-F627 HydrophobicContact CG1-CD1 4.1Å; I440-F627 HydrophobicContact CG1-CD2 3.67Å; I440-F627 HydrophobicContact CG1-CE1 4.19Å; I440-F627 HydrophobicContact CG1-CE2 3.77Å; I440-F627 HydrophobicContact CG1-CG 3.82Å; I440-F627 HydrophobicContact CG1-CZ 4.01Å; I440-F627 HydrophobicContact CG2-CD2 4.32Å; H467-F627 HydrophobicContact CB-CB 3.93Å; H467-F627 HydrophobicContact CB-CD2 4.23Å; Y468-F627 VanDerWaalsContact O-CB 3.24Å; Y468-F627 WeakPolarHBondContact O-CB 3.33Å; Y468-F627 PolarHBondContact O-N 2.82Å; F627-S629 PolarHBondContact O-N 3.43Å; F627-S629 VanDerWaalsContact O-N 3.13Å; F627-F631 HydrophobicContact CE1-CB 3.85Å; F627-F631 HydrophobicContact CE1-CD2 4.18Å; F627-F631 HydrophobicContact CE2-CD2 4.45Å; F627-F631 HydrophobicContact CZ-CB 4.26Å; F627-F631 AromaticContact CZ-CD2 3.92Å; F627-F631 HydrophobicContact CZ-CD2 3.92Å; F627-I632 HydrophobicContact CD1-CD1 4.13Å; F627-I632 HydrophobicContact CD1-CG1 3.95Å; F627-I632 HydrophobicContact CE1-CG1 4.19Å |
| 628 | P | 86.4 | Confident | 76.4 | Confident | 43 Ų | 43 | 74.6 Ų | 74.6 | 28% | 0.279 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 117.1 | -174.3 | -22.7 | 34.2 | 0 | 0 | 0 | 112.4 | E630 F631 | P628-E630 VanDerWaalsContact C-OE2 3.25Å; P628-E630 VanDerWaalsContact CB-CD 3.4Å; P628-E630 HydrophobicContact CB-CG 4.2Å; P628-E630 WeakPolarHBondContact CB-OE1 3.45Å; P628-E630 WeakPolarHBondContact CB-OE2 3.45Å; P628-E630 PolarHBondContact O-N 3.24Å; P628-F631 HydrophobicContact CB-CD2 3.8Å; P628-F631 HydrophobicContact CB-CE2 3.86Å; P628-F631 HydrophobicContact CB-CG 4.26Å; P628-F631 HydrophobicContact CB-CZ 4.36Å; P628-F631 HydrophobicContact CG-CD2 3.92Å; P628-F631 HydrophobicContact CG-CE2 3.69Å; P628-F631 HydrophobicContact CG-CZ 4.44Å; P628-F631 WeakPolarHBondContact O-CB 3.39Å; P628-F631 PolarHBondContact O-N 3.19Å |
| 629 | S | 77.3 | Confident | 73.6 | Confident | 62 Ų | 62 | 73.5 Ų | 73.5 | 43% | 0.434 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -61.3 | -27 | -173.5 | 66.9 | 0 | 0 | 0 | 0 | 113.8 | F627 F631 I632 | F627-S629 PolarHBondContact O-N 3.43Å; F627-S629 VanDerWaalsContact O-N 3.13Å; S629-F631 PolarHBondContact O-N 2.81Å; S629-I632 CarbonylContact O-C 3.55Å; S629-I632 PolarHBondContact O-N 3.3Å; S629-I632 VanDerWaalsContact O-N 3.12Å |
| 630 | E | 74.1 | Confident | 70.9 | Confident | 109 Ų | 109 | 73 Ų | 73 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -63.3 | -26.1 | 175.1 | 61.5 | -90.4 | -143.8 | 0 | 0 | 113 | P628 R633 | P628-E630 VanDerWaalsContact C-OE2 3.25Å; P628-E630 VanDerWaalsContact CB-CD 3.4Å; P628-E630 HydrophobicContact CB-CG 4.2Å; P628-E630 WeakPolarHBondContact CB-OE1 3.45Å; P628-E630 WeakPolarHBondContact CB-OE2 3.45Å; P628-E630 PolarHBondContact O-N 3.24Å; E630-R633 WeakPolarHBondContact O-CB 3.28Å; E630-R633 PolarHBondContact O-N 2.64Å |
| 631 | F | 81 | Confident | 68.2 | Low | 88 Ų | 88 | 75.8 Ų | 75.8 | 39% | 0.386 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -79.7 | -22.8 | 174.9 | -59.9 | -20.5 | 0 | 0 | 0 | 112.4 | R437 K438 F627 P628 S629 R633 | R437-F631 HydrophobicContact CB-CB 4.39Å; R437-F631 WeakPolarHBondContact O-CB 3.35Å; K438-F631 WeakPolarHBondContact CE-O 3.46Å; K438-F631 WeakPolarHBondContact CG-O 3.21Å; F627-F631 HydrophobicContact CE1-CB 3.85Å; F627-F631 HydrophobicContact CE1-CD2 4.18Å; F627-F631 HydrophobicContact CE2-CD2 4.45Å; F627-F631 HydrophobicContact CZ-CB 4.26Å; F627-F631 AromaticContact CZ-CD2 3.92Å; F627-F631 HydrophobicContact CZ-CD2 3.92Å; P628-F631 HydrophobicContact CB-CD2 3.8Å; P628-F631 HydrophobicContact CB-CE2 3.86Å; P628-F631 HydrophobicContact CB-CG 4.26Å; P628-F631 HydrophobicContact CB-CZ 4.36Å; P628-F631 HydrophobicContact CG-CD2 3.92Å; P628-F631 HydrophobicContact CG-CE2 3.69Å; P628-F631 HydrophobicContact CG-CZ 4.44Å; P628-F631 WeakPolarHBondContact O-CB 3.39Å; P628-F631 PolarHBondContact O-N 3.19Å; S629-F631 PolarHBondContact O-N 2.81Å; F631-R633 PolarHBondContact O-N 2.81Å |
| 632 | I | 73.3 | Confident | 65.5 | Low | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -88.9 | 21.4 | 172.2 | -32.3 | 174.9 | 0 | 0 | 0 | 111 | I425 A426 P470 I474 F627 S629 | I425-I632 HydrophobicContact CD1-CD1 3.6Å; I425-I632 HydrophobicContact CD1-CG1 4Å; I425-I632 HydrophobicContact CD1-CG2 4.28Å; A426-I632 HydrophobicContact CB-CG2 3.71Å; P470-I632 HydrophobicContact CG-CD1 3.58Å; I474-I632 WeakPolarHBondContact CD1-O 3.31Å; I474-I632 HydrophobicContact CG1-CG2 4.34Å; F627-I632 HydrophobicContact CD1-CD1 4.13Å; F627-I632 HydrophobicContact CD1-CG1 3.95Å; F627-I632 HydrophobicContact CE1-CG1 4.19Å; S629-I632 CarbonylContact O-C 3.55Å; S629-I632 PolarHBondContact O-N 3.3Å; S629-I632 VanDerWaalsContact O-N 3.12Å |
| 633 | R | 67.3 | Low | 62.9 | Low | 179 Ų | 179 | 76.6 Ų | 76.6 | 68% | 0.675 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -86.5 | 146.6 | 161.7 | -63.7 | -175.9 | -179.1 | -148.2 | 1.2 | 108.7 | K438 E630 F631 | K438-R633 VanDerWaalsContact CE-O 3.29Å; K438-R633 WeakPolarHBondContact CE-O 3.42Å; E630-R633 WeakPolarHBondContact O-CB 3.28Å; E630-R633 PolarHBondContact O-N 2.64Å; F631-R633 PolarHBondContact O-N 2.81Å |
| 634 | E | 61.7 | Low | 60 | Low | 56 Ų | 56 | 83.9 Ų | 83.9 | 26% | 0.262 | 43% | 0.428 | S | S | . | . | trans | -63.5 | 134.5 | 166.9 | -176.9 | 175 | 147.3 | 0 | 0 | 109.3 | K361 H362 V636 | K361-E634 VanDerWaalsContact CE-CD 3.48Å; K361-E634 WeakPolarHBondContact CE-OE1 3.38Å; K361-E634 WeakPolarHBondContact CE-OE2 3.27Å; K361-E634 IonicContact NZ-OE1 2.85Å; K361-E634 PolarHBondContact NZ-OE1 3.37Å; K361-E634 IonicContact NZ-OE2 3.63Å; H362-E634 IonicContact CD2-OE2 3.81Å; H362-E634 IonicContact CE1-OE2 3.1Å; H362-E634 IonicContact NE2-OE2 2.74Å; H362-E634 PolarHBondContact NE2-OE2 2.87Å; E634-V636 HydrophobicContact CB-CG2 4.33Å; E634-V636 HydrophobicContact CG-CG2 4.3Å; E634-V636 PolarHBondContact O-N 2.61Å | ||
| 635 | Y | 45.2 | Very low | 57.5 | Low | 103 Ų | 103 | 87.2 Ų | 87.2 | 40% | 0.404 | 43% | 0.432 | S | S | . | . | trans | -73.4 | 86 | 163.3 | 178.9 | -102.4 | 0 | 0 | 0 | 109.1 | D434 S637 | D434-Y635 PolarHBondContact OD2-N 3.42Å; Y635-S637 PolarHBondContact O-N 3.23Å | ||
| 636 | V | 47.8 | Very low | 54.6 | Low | 46 Ų | 46 | 86.3 Ų | 86.3 | 28% | 0.279 | 44% | 0.437 | S | S | . | . | trans | -65.6 | 113.7 | 162.9 | -176.1 | 0 | 0 | 0 | 0 | 106.2 | E634 E640 N641 | E634-V636 HydrophobicContact CB-CG2 4.33Å; E634-V636 HydrophobicContact CG-CG2 4.3Å; E634-V636 PolarHBondContact O-N 2.61Å; V636-E640 VanDerWaalsContact CG1-C 3.42Å; V636-E640 HydrophobicContact CG1-CB 3.39Å; V636-N641 HydrophobicContact CB-CB 4.48Å; V636-N641 HydrophobicContact CG1-CB 3.74Å | ||
| 637 | S | 35.8 | Very low | 51.7 | Low | 31 Ų | 31 | 93.2 Ų | 93.2 | 22% | 0.217 | 46% | 0.457 | C | S | . | . | trans | -60.4 | 155.9 | 177.8 | 67.2 | 0 | 0 | 0 | 0 | 110.1 | Y635 L639 E640 N641 | Y635-S637 PolarHBondContact O-N 3.23Å; S637-L639 PolarHBondContact O-N 3.4Å; S637-E640 VanDerWaalsContact CB-OE2 3.24Å; S637-E640 WeakPolarHBondContact CB-OE2 3.41Å; S637-E640 PolarHBondContact N-OE2 3.14Å; S637-E640 PolarHBondContact O-N 3.03Å; S637-E640 PolarHBondContact OG-N 2.95Å; S637-E640 PolarHBondContact OG-OE2 2.79Å; S637-N641 WeakPolarHBondContact O-CB 3.43Å; S637-N641 PolarHBondContact O-N 3.08Å | ||
| 638 | P | 31.4 | Very low | 49 | Very low | 93 Ų | 93 | 103.7 Ų | 103.7 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -11.2 | 177.8 | -27.2 | 35.9 | 0 | 0 | 0 | 115.3 | ||
| 639 | L | 35 | Very low | 46.4 | Very low | 71 Ų | 71 | 110.1 Ų | 110.1 | 37% | 0.372 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -28.5 | 175.8 | -60.9 | 170.9 | 0 | 0 | 0 | 113.1 | P12 S637 N641 I642 | P12-L639 VanDerWaalsContact CD-CD2 3.42Å; P12-L639 HydrophobicContact CG-CD1 3.6Å; P12-L639 HydrophobicContact CG-CD2 3.77Å; P12-L639 HydrophobicContact CG-CG 4.29Å; S637-L639 PolarHBondContact O-N 3.4Å; L639-N641 VanDerWaalsContact C-N 3.34Å; L639-I642 WeakPolarHBondContact O-CD1 3.46Å; L639-I642 WeakPolarHBondContact O-CG1 3.04Å |
| 640 | E | 37.7 | Very low | 44.1 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -16.6 | 168.7 | -64.7 | 158.5 | 127.5 | 0 | 0 | 111 | V636 S637 | V636-E640 VanDerWaalsContact CG1-C 3.42Å; V636-E640 HydrophobicContact CG1-CB 3.39Å; S637-E640 VanDerWaalsContact CB-OE2 3.24Å; S637-E640 WeakPolarHBondContact CB-OE2 3.41Å; S637-E640 PolarHBondContact N-OE2 3.14Å; S637-E640 PolarHBondContact O-N 3.03Å; S637-E640 PolarHBondContact OG-N 2.95Å; S637-E640 PolarHBondContact OG-OE2 2.79Å |
| 641 | N | 36.3 | Very low | 42.3 | Very low | 73 Ų | 73 | 114.8 Ų | 114.8 | 39% | 0.39 | 56% | 0.556 | S | S | . | * | trans | -97.2 | 22.6 | -175.1 | -143.3 | -8.9 | 0 | 0 | 0 | 113.8 | V636 S637 L639 D643 | V636-N641 HydrophobicContact CB-CB 4.48Å; V636-N641 HydrophobicContact CG1-CB 3.74Å; S637-N641 WeakPolarHBondContact O-CB 3.43Å; S637-N641 PolarHBondContact O-N 3.08Å; L639-N641 VanDerWaalsContact C-N 3.34Å; N641-D643 VanDerWaalsContact C-N 3.25Å; N641-D643 PolarHBondContact O-N 2.68Å | ||
| 642 | I | 37.1 | Very low | 39.9 | Very low | 92 Ų | 92 | 116.8 Ų | 116.8 | 47% | 0.472 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -19.4 | -175.4 | -67.3 | 177.2 | 0 | 0 | 0 | 112.2 | F11 L639 | F11-I642 HydrophobicContact CE1-CD1 4.08Å; L639-I642 WeakPolarHBondContact O-CD1 3.46Å; L639-I642 WeakPolarHBondContact O-CG1 3.04Å |
| 643 | D | 39.8 | Very low | 38.3 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -8.6 | -175.5 | -97.7 | 13.2 | 0 | 0 | 0 | 115.5 | N641 Q645 | N641-D643 VanDerWaalsContact C-N 3.25Å; N641-D643 PolarHBondContact O-N 2.68Å; D643-Q645 PolarHBondContact O-N 2.9Å |
| 644 | E | 33 | Very low | 36.6 | Very low | 160 Ų | 160 | 120 Ų | 120 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | trans | -92.6 | 72.2 | 171.9 | -69.9 | -158.6 | 167.1 | 0 | 0 | 112.3 | ||||
| 645 | Q | 32 | Very low | 35.6 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 79% | 0.79 | 66% | 0.66 | S | S | * | * | trans | -58.1 | 129.8 | 164.9 | -83.2 | -95.3 | -25.3 | 0 | 0 | 110.3 | D643 R647 | D643-Q645 PolarHBondContact O-N 2.9Å; Q645-R647 PolarHBondContact O-N 3.09Å | ||
| 646 | P | 32.5 | Very low | 35.1 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | trans | -67.1 | 124.4 | -178.3 | 26.8 | -33.6 | 0 | 0 | 0 | 110.2 | R648 | P646-R648 PolarHBondContact O-N 3.13Š| ||
| 647 | R | 29.2 | Very low | 34.4 | Very low | 233 Ų | 233 | 138.2 Ų | 138.2 | 88% | 0.879 | 69% | 0.693 | S | S | * | * | trans | -60.7 | 97.3 | 169.5 | -68.3 | -174.9 | -174.9 | -176.2 | 2.8 | 108.8 | Q645 H649 | Q645-R647 PolarHBondContact O-N 3.09Å; R647-H649 PolarHBondContact O-N 2.68Å; R647-H649 VanDerWaalsContact O-N 3.15Å | ||
| 648 | R | 34.3 | Very low | 34.3 | Very low | 233 Ų | 233 | 144.1 Ų | 144.1 | 88% | 0.879 | 72% | 0.72 | S | S | * | * | trans | -59.4 | 119 | 169.7 | -77.7 | -172 | 175.4 | -166.5 | -0.9 | 108.3 | P646 T650 | P646-R648 PolarHBondContact O-N 3.13Å; R648-T650 PolarHBondContact O-N 2.7Å | ||
| 649 | H | 32.6 | Very low | 34.5 | Very low | 179 Ų | 179 | 147.1 Ų | 147.1 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | trans | -59.4 | 118.3 | 166 | -79.2 | -94.3 | 0 | 0 | 0 | 108.8 | R647 T651 | R647-H649 PolarHBondContact O-N 2.68Å; R647-H649 VanDerWaalsContact O-N 3.15Å; H649-T651 PolarHBondContact O-N 2.87Å; H649-T651 VanDerWaalsContact O-N 3.13Å | ||
| 650 | T | 28.9 | Very low | 34.5 | Very low | 135 Ų | 135 | 151.9 Ų | 151.9 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | trans | -74.7 | 93.4 | 168.4 | 45 | 0 | 0 | 0 | 0 | 109.3 | R648 | R648-T650 PolarHBondContact O-N 2.7Š| ||
| 651 | T | 35.8 | Very low | 34.3 | Very low | 133 Ų | 133 | 154.3 Ų | 154.3 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | -84.2 | 115.4 | 159.6 | 39.6 | 0 | 0 | 0 | 0 | 109.2 | H649 | H649-T651 PolarHBondContact O-N 2.87Å; H649-T651 VanDerWaalsContact O-N 3.13Å | ||
| 652 | V | 31.7 | Very low | 34.1 | Very low | 131 Ų | 131 | 160.1 Ų | 160.1 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -77.9 | 127.3 | 170.8 | 177.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 653 | S | 38.2 | Very low | 33.9 | Very low | 110 Ų | 110 | 165.4 Ų | 165.4 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -152 | 129.3 | 156 | 63.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 654 | N | 33.6 | Very low | 33.4 | Very low | 143 Ų | 143 | 169.9 Ų | 169.9 | 77% | 0.765 | 83% | 0.832 | S | S | * | * | trans | -65.8 | 145.1 | -175.3 | -48.1 | -48 | 0 | 0 | 0 | 112.5 | ||||
| 655 | Y | 38.9 | Very low | 33.4 | Very low | 309 Ų | 309 | 170.8 Ų | 170.8 | 100% | 1.212 | 84% | 0.84 | S | S | * | * | -160.9 | 0 | 124.7 | -102 | -68.4 | 0 | 0 | 0 | 109.9 |
Retrieved 655 of 655 residues in 725.7 ms
(Link to these results)