| 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 | 34.5 | Very low | 47.3 | Very low | 245 Ų | 245 | 125.5 Ų | 125.5 | 100% | 1.207 | 62% | 0.624 | S | S | * | * | 0 | 101.4 | 0 | -72.2 | -177.8 | -134.8 | 0 | 0 | 105.8 | |||||
| 2 | E | 37 | Very low | 48.8 | Very low | 192 Ų | 192 | 118.3 Ų | 118.3 | 90% | 0.897 | 59% | 0.589 | S | S | * | * | trans | -85.6 | 110.8 | 176.7 | -132.5 | 173.1 | 162.5 | 0 | 0 | 106.2 | L4 | E2-L4 PolarHBondContact O-N 3.29Š| ||
| 3 | E | 36.8 | Very low | 50.3 | Low | 194 Ų | 194 | 118.4 Ų | 118.4 | 91% | 0.907 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 117.9 | 176.2 | -73.5 | -165.3 | 153.1 | 0 | 0 | 109.2 | ||
| 4 | L | 39.1 | Very low | 52 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 60% | 0.597 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 134.1 | 171.2 | -101.2 | 87.6 | 0 | 0 | 0 | 109.4 | E2 D8 | E2-L4 PolarHBondContact O-N 3.29Å; L4-D8 HydrophobicContact CD2-CB 4.29Å |
| 5 | N | 42.2 | Very low | 53.7 | Low | 92 Ų | 92 | 106.5 Ų | 106.5 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 133.3 | 178.3 | -165.3 | -32.6 | 0 | 0 | 0 | 109.2 | K7 D8 | N5-K7 PolarHBondContact O-N 3.26Å; N5-D8 WeakPolarHBondContact O-CB 3.24Å; N5-D8 PolarHBondContact O-N 3Å |
| 6 | P | 41.1 | Very low | 55 | Low | 100 Ų | 100 | 104.5 Ų | 104.5 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.7 | -15.6 | -174.8 | 19.2 | -33.4 | 0 | 0 | 0 | 115.1 | D8 | P6-D8 VanDerWaalsContact C-N 3.3Å |
| 7 | K | 49.2 | Very low | 56.3 | Low | 168 Ų | 168 | 106.4 Ų | 106.4 | 73% | 0.73 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -75.3 | -18.1 | 172.1 | -67.6 | -176.6 | -180 | 178.3 | 0 | 113.5 | N5 K31 | N5-K7 PolarHBondContact O-N 3.26Å; K7-K31 PolarHBondContact O-NZ 2.89Å |
| 8 | D | 55.2 | Low | 57.6 | Low | 64 Ų | 64 | 102.2 Ų | 102.2 | 34% | 0.342 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -82.8 | -26.8 | 177.4 | -62.8 | -30.5 | 0 | 0 | 0 | 111.3 | L4 N5 P6 A11 L12 K31 | L4-D8 HydrophobicContact CD2-CB 4.29Å; N5-D8 WeakPolarHBondContact O-CB 3.24Å; N5-D8 PolarHBondContact O-N 3Å; P6-D8 VanDerWaalsContact C-N 3.3Å; D8-A11 PolarHBondContact O-N 3.32Å; D8-L12 PolarHBondContact O-N 3.03Å; D8-K31 WeakPolarHBondContact OD1-CE 3.42Å; D8-K31 IonicContact OD1-NZ 3.93Å; D8-K31 PolarHBondContact OD1-NZ 3Å |
| 9 | D | 55.9 | Low | 58.8 | Low | 70 Ų | 70 | 96.8 Ų | 96.8 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 177.9 | -62.6 | -21.6 | 0 | 0 | 0 | 112.6 | A11 L12 E13 | D9-A11 VanDerWaalsContact C-N 3.25Å; D9-A11 PolarHBondContact O-N 3.28Å; D9-L12 CarbonylContact O-C 3.31Å; D9-L12 WeakPolarHBondContact O-CA 3.17Å; D9-L12 WeakPolarHBondContact O-CB 3.36Å; D9-L12 PolarHBondContact O-N 2.72Å; D9-E13 WeakPolarHBondContact O-CG 3.47Å; D9-E13 PolarHBondContact O-N 3.35Å |
| 10 | K | 65.3 | Low | 59.8 | Low | 128 Ų | 128 | 96.8 Ų | 96.8 | 56% | 0.557 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.9 | -35.1 | 178.3 | -168.1 | 179.6 | -177 | -172.5 | 0 | 112.7 | L12 N14 | K10-L12 VanDerWaalsContact C-N 3.34Å; K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 VanDerWaalsContact O-CG 3.29Å; K10-N14 PolarHBondContact O-N 2.76Å; K10-N14 VanDerWaalsContact O-N 3.09Å |
| 11 | A | 64.2 | Low | 60.8 | Low | 14 Ų | 14 | 95 Ų | 95 | 12% | 0.116 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | D8 D9 L15 K31 | D8-A11 PolarHBondContact O-N 3.32Å; D9-A11 VanDerWaalsContact C-N 3.25Å; D9-A11 PolarHBondContact O-N 3.28Å; A11-L15 WeakPolarHBondContact O-CB 3.42Å; A11-L15 WeakPolarHBondContact O-CG 3.4Å; A11-L15 PolarHBondContact O-N 3.5Å; A11-K31 VanDerWaalsContact CB-CE 3.42Å |
| 12 | L | 65.5 | Low | 62.9 | Low | 38 Ų | 38 | 84.1 Ų | 84.1 | 20% | 0.199 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 176.5 | -168.2 | 65.2 | 0 | 0 | 0 | 112.1 | D8 D9 K10 L15 I16 V29 | D8-L12 PolarHBondContact O-N 3.03Å; D9-L12 CarbonylContact O-C 3.31Å; D9-L12 WeakPolarHBondContact O-CA 3.17Å; D9-L12 WeakPolarHBondContact O-CB 3.36Å; D9-L12 PolarHBondContact O-N 2.72Å; K10-L12 VanDerWaalsContact C-N 3.34Å; L12-L15 WeakPolarHBondContact O-CB 3.37Å; L12-L15 PolarHBondContact O-N 3.24Å; L12-L15 VanDerWaalsContact O-N 3.14Å; L12-I16 HydrophobicContact CG-CD1 4.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.46Å; L12-I16 PolarHBondContact O-N 2.66Å; L12-V29 HydrophobicContact CD1-CG2 4.42Å |
| 13 | E | 67.7 | Low | 64.9 | Low | 120 Ų | 120 | 77.5 Ų | 77.5 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -58.7 | -48.5 | 173.4 | -72.5 | 176.7 | 172.5 | 0 | 0 | 111.3 | D9 L15 I16 L17 | D9-E13 WeakPolarHBondContact O-CG 3.47Å; D9-E13 PolarHBondContact O-N 3.35Å; E13-L15 VanDerWaalsContact C-N 3.26Å; E13-L15 PolarHBondContact O-N 2.84Å; E13-I16 PolarHBondContact O-N 3.42Å; E13-L17 WeakPolarHBondContact O-CG 3.37Å; E13-L17 PolarHBondContact O-N 2.94Å |
| 14 | N | 74.8 | Confident | 66.7 | Low | 55 Ų | 55 | 71.1 Ų | 71.1 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 174.7 | -73.4 | -7.5 | 0 | 0 | 0 | 111.7 | K10 L17 L18 | K10-N14 WeakPolarHBondContact O-CB 3.45Å; K10-N14 VanDerWaalsContact O-CG 3.29Å; K10-N14 PolarHBondContact O-N 2.76Å; K10-N14 VanDerWaalsContact O-N 3.09Å; N14-L17 PolarHBondContact O-N 3.39Å; N14-L18 WeakPolarHBondContact O-CB 3.41Å; N14-L18 WeakPolarHBondContact O-CG 3.37Å; N14-L18 PolarHBondContact O-N 3.49Å |
| 15 | L | 77.4 | Confident | 68.5 | Low | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 177.6 | -74.6 | 171.6 | 0 | 0 | 0 | 113.1 | A11 L12 E13 L17 L18 Y19 V29 V58 V60 Y138 | A11-L15 WeakPolarHBondContact O-CB 3.42Å; A11-L15 WeakPolarHBondContact O-CG 3.4Å; A11-L15 PolarHBondContact O-N 3.5Å; L12-L15 WeakPolarHBondContact O-CB 3.37Å; L12-L15 PolarHBondContact O-N 3.24Å; L12-L15 VanDerWaalsContact O-N 3.14Å; E13-L15 VanDerWaalsContact C-N 3.26Å; E13-L15 PolarHBondContact O-N 2.84Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L18 PolarHBondContact O-N 2.96Å; L15-Y19 HydrophobicContact CD2-CD2 4.2Å; L15-Y19 HydrophobicContact CD2-CE2 4.08Å; L15-Y19 PolarHBondContact O-N 3.38Å; L15-V29 HydrophobicContact CD1-CB 4.26Å; L15-V29 HydrophobicContact CD1-CG1 3.77Å; L15-V29 HydrophobicContact CD1-CG2 3.44Å; L15-V29 VanDerWaalsContact CD1-CG2 3.44Å; L15-V58 HydrophobicContact CD2-CB 4.1Å; L15-V58 HydrophobicContact CD2-CG1 3.51Å; L15-V58 HydrophobicContact CD2-CG2 4.22Å; L15-V60 HydrophobicContact CD2-CG2 4.48Å; L15-Y138 HydrophobicContact CD2-CD1 3.66Å; L15-Y138 HydrophobicContact CD2-CE1 4.3Å |
| 16 | I | 74.4 | Confident | 70.4 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 176.1 | -68.4 | 164.3 | 0 | 0 | 0 | 109.9 | L12 E13 Y19 P20 | L12-I16 HydrophobicContact CG-CD1 4.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.46Å; L12-I16 PolarHBondContact O-N 2.66Å; E13-I16 PolarHBondContact O-N 3.42Å; I16-Y19 CarbonylContact O-C 3.56Å; I16-Y19 VanDerWaalsContact O-C 3.31Å; I16-P20 WeakPolarHBondContact O-CA 3.47Å |
| 17 | L | 77.6 | Confident | 72.6 | Confident | 136 Ų | 136 | 69.6 Ų | 69.6 | 71% | 0.712 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 173.3 | -69.1 | 174.2 | 0 | 0 | 0 | 112.2 | E13 N14 L15 | E13-L17 WeakPolarHBondContact O-CG 3.37Å; E13-L17 PolarHBondContact O-N 2.94Å; N14-L17 PolarHBondContact O-N 3.39Å; L15-L17 VanDerWaalsContact C-N 3.33Å |
| 18 | L | 78.7 | Confident | 74.6 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74 | -30.9 | -179.6 | -73.2 | 172 | 0 | 0 | 0 | 112.9 | N14 L15 K92 Y138 | N14-L18 WeakPolarHBondContact O-CB 3.41Å; N14-L18 WeakPolarHBondContact O-CG 3.37Å; N14-L18 PolarHBondContact O-N 3.49Å; L15-L18 PolarHBondContact O-N 2.96Å; L18-K92 HydrophobicContact CB-CD 4.06Å; L18-K92 HydrophobicContact CD2-CB 4.16Å; L18-K92 HydrophobicContact CD2-CD 3.72Å; L18-K92 HydrophobicContact CG-CD 4.46Å; L18-K92 WeakPolarHBondContact O-CD 3.45Å; L18-K92 WeakPolarHBondContact O-CE 3.1Å; L18-K92 PolarHBondContact O-NZ 2.92Å; L18-Y138 HydrophobicContact CD1-CD1 3.62Å; L18-Y138 HydrophobicContact CD1-CD2 3.44Å; L18-Y138 VanDerWaalsContact CD1-CD2 3.44Å; L18-Y138 HydrophobicContact CD1-CE1 3.74Å; L18-Y138 HydrophobicContact CD1-CE2 3.58Å; L18-Y138 HydrophobicContact CD1-CG 3.46Å; L18-Y138 VanDerWaalsContact CD1-CG 3.46Å |
| 19 | Y | 80.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -138.6 | 80.3 | -178.1 | -52.5 | -72.4 | 0 | 0 | 0 | 110.5 | L15 I16 F21 L22 V58 R90 K92 Y138 L140 | L15-Y19 HydrophobicContact CD2-CD2 4.2Å; L15-Y19 HydrophobicContact CD2-CE2 4.08Å; L15-Y19 PolarHBondContact O-N 3.38Å; I16-Y19 CarbonylContact O-C 3.56Å; I16-Y19 VanDerWaalsContact O-C 3.31Å; Y19-F21 HydrophobicContact CD1-CE1 4.02Å; Y19-F21 HydrophobicContact CD1-CZ 4.09Å; Y19-F21 HydrophobicContact CG-CE1 4.44Å; Y19-F21 HydrophobicContact CG-CZ 4.48Å; Y19-F21 PolarHBondContact O-N 3.41Å; Y19-L22 HydrophobicContact CD2-CD1 3.75Å; Y19-L22 HydrophobicContact CG-CD1 3.78Å; Y19-L22 HydrophobicContact CG-CG 4.38Å; Y19-L22 WeakPolarHBondContact O-CB 3.33Å; Y19-L22 PolarHBondContact O-N 3.29Å; Y19-V58 HydrophobicContact CE2-CG2 4.3Å; Y19-R90 HydrophobicContact CE1-CB 4.16Å; Y19-R90 HydrophobicContact CE1-CG 3.78Å; Y19-R90 PolarHBondContact OH-O 3.44Å; Y19-K92 HydrophobicContact CE1-CD 4.17Å; Y19-K92 HydrophobicContact CE1-CG 4.06Å; Y19-Y138 PolarHBondContact OH-O 2.94Å; Y19-L140 HydrophobicContact CD1-CD2 3.85Å; Y19-L140 HydrophobicContact CE1-CB 3.97Å; Y19-L140 HydrophobicContact CE1-CD2 3.98Å; Y19-L140 HydrophobicContact CE2-CB 4.15Å; Y19-L140 HydrophobicContact CG-CD2 4.21Å | ||
| 20 | P | 78.2 | Confident | 78.1 | Confident | 95 Ų | 95 | 58.2 Ų | 58.2 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.7 | -173.8 | -26 | 35.1 | 0 | 0 | 0 | 114.6 | I16 L22 | I16-P20 WeakPolarHBondContact O-CA 3.47Å; P20-L22 VanDerWaalsContact C-N 3.28Å; P20-L22 PolarHBondContact O-N 2.82Å |
| 21 | F | 80.3 | Confident | 79.4 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.6 | 178.6 | 64.9 | -89.9 | 0 | 0 | 0 | 113.9 | Y19 R90 L140 L146 P147 | Y19-F21 HydrophobicContact CD1-CE1 4.02Å; Y19-F21 HydrophobicContact CD1-CZ 4.09Å; Y19-F21 HydrophobicContact CG-CE1 4.44Å; Y19-F21 HydrophobicContact CG-CZ 4.48Å; Y19-F21 PolarHBondContact O-N 3.41Å; F21-R90 VanDerWaalsContact CE1-NH1 3.28Å; F21-L140 HydrophobicContact CE2-CD2 3.94Å; F21-L140 HydrophobicContact CZ-CD2 3.52Å; F21-L146 HydrophobicContact CE2-CD2 3.74Å; F21-L146 HydrophobicContact CZ-CD2 4Å; F21-P147 HydrophobicContact CB-CG 4.05Å; F21-P147 HydrophobicContact CD1-CG 3.8Å; F21-P147 HydrophobicContact CD2-CG 3.93Å; F21-P147 HydrophobicContact CE1-CG 4.24Å; F21-P147 HydrophobicContact CE2-CG 4.34Å; F21-P147 HydrophobicContact CG-CG 3.64Å; F21-P147 HydrophobicContact CZ-CG 4.48Å |
| 22 | L | 79.7 | Confident | 80.9 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | trans | -88 | 130.3 | 179.7 | -63.9 | -176.8 | 0 | 0 | 0 | 111.8 | Y19 P20 I27 K56 L140 | Y19-L22 HydrophobicContact CD2-CD1 3.75Å; Y19-L22 HydrophobicContact CG-CD1 3.78Å; Y19-L22 HydrophobicContact CG-CG 4.38Å; Y19-L22 WeakPolarHBondContact O-CB 3.33Å; Y19-L22 PolarHBondContact O-N 3.29Å; P20-L22 VanDerWaalsContact C-N 3.28Å; P20-L22 PolarHBondContact O-N 2.82Å; L22-I27 HydrophobicContact CD1-CD1 3.62Å; L22-K56 HydrophobicContact CD2-CD 3.42Å; L22-K56 VanDerWaalsContact CD2-CD 3.42Å; L22-L140 HydrophobicContact CD1-CD1 4.26Å; L22-L140 HydrophobicContact CD1-CD2 4.45Å; L22-L140 HydrophobicContact CD2-CD1 4.3Å; L22-L140 HydrophobicContact CD2-CD2 4.33Å | ||
| 23 | S | 78 | Confident | 82.2 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | trans | -93.3 | 133.9 | 163.4 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | K25 E26 | S23-K25 PolarHBondContact O-N 2.97Å; S23-E26 PolarHBondContact O-N 2.71Å | ||
| 24 | S | 74.8 | Confident | 83.4 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 42% | 0.42 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -22.5 | 179.6 | -47.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 25 | K | 78.6 | Confident | 84.3 | Confident | 181 Ų | 181 | 59.8 Ų | 59.8 | 79% | 0.787 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -26 | 178.3 | -65.7 | -176.3 | 179.4 | -179.9 | 0 | 113.6 | S23 | S23-K25 PolarHBondContact O-N 2.97Š|
| 26 | E | 81.3 | Confident | 85 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -8.2 | -172 | -64.6 | 178.2 | -174.3 | 0 | 0 | 113.6 | S23 R55 K56 | S23-E26 PolarHBondContact O-N 2.71Å; E26-R55 PolarHBondContact O-N 2.68Å; E26-K56 PolarHBondContact O-N 2.78Å; E26-K56 IonicContact OE2-NZ 3.03Å; E26-K56 PolarHBondContact OE2-NZ 2.89Å |
| 27 | I | 87.7 | Confident | 86 | Confident | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.051 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.1 | -169.5 | -177 | 165.3 | 0 | 0 | 0 | 112.1 | L22 V29 K56 V58 | L22-I27 HydrophobicContact CD1-CD1 3.62Å; I27-V29 HydrophobicContact CD1-CG2 4.41Å; I27-V29 HydrophobicContact CG1-CG2 4.29Å; I27-K56 WeakPolarHBondContact CA-O 3.4Å; I27-K56 HydrophobicContact CB-CB 4.49Å; I27-V58 HydrophobicContact CD1-CB 3.85Å; I27-V58 HydrophobicContact CD1-CG2 3.22Å; I27-V58 HydrophobicContact CG1-CG2 4.28Å |
| 28 | A | 90.6 | Very high | 86.9 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | A48 R54 K56 V57 V58 | A28-A48 HydrophobicContact CB-CB 3.86Å; A28-R54 VanDerWaalsContact CB-CD 3.47Å; A28-K56 PolarHBondContact N-O 2.99Å; A28-V57 HydrophobicContact CB-CG2 3.85Å; A28-V57 CarbonylContact O-C 3.59Å; A28-V57 VanDerWaalsContact O-CA 3.25Å; A28-V57 WeakPolarHBondContact O-CA 3.16Å; A28-V58 PolarHBondContact O-N 2.68Å |
| 29 | V | 91.5 | Very high | 87.7 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.7 | 178 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | L12 L15 I27 V60 | L12-V29 HydrophobicContact CD1-CG2 4.42Å; L15-V29 HydrophobicContact CD1-CB 4.26Å; L15-V29 HydrophobicContact CD1-CG1 3.77Å; L15-V29 HydrophobicContact CD1-CG2 3.44Å; L15-V29 VanDerWaalsContact CD1-CG2 3.44Å; I27-V29 HydrophobicContact CD1-CG2 4.41Å; I27-V29 HydrophobicContact CG1-CG2 4.29Å; V29-V60 HydrophobicContact CG1-CG2 4.21Å |
| 30 | V | 93.1 | Very high | 88.5 | Confident | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.036 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 101.3 | -179 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | V32 L41 F44 V57 V58 F59 V60 | V30-V32 PolarHBondContact O-N 3.37Å; V30-L41 HydrophobicContact CG1-CB 4.35Å; V30-L41 HydrophobicContact CG1-CD1 4.32Å; V30-L41 HydrophobicContact CG1-CD2 3.82Å; V30-L41 HydrophobicContact CG1-CG 4.39Å; V30-F44 HydrophobicContact CG2-CD1 3.73Å; V30-F44 HydrophobicContact CG2-CE1 3.67Å; V30-V57 HydrophobicContact CG2-CG1 3.82Å; V30-V58 PolarHBondContact N-O 3.4Å; V30-F59 HydrophobicContact CB-CD1 3.79Å; V30-F59 HydrophobicContact CB-CE1 4.07Å; V30-F59 HydrophobicContact CB-CG 4.33Å; V30-F59 HydrophobicContact CG1-CD1 3.65Å; V30-F59 HydrophobicContact CG1-CE1 3.78Å; V30-F59 HydrophobicContact CG2-CD1 4.5Å; V30-F59 HydrophobicContact CG2-CE1 4.36Å; V30-F59 WeakPolarHBondContact O-CA 3.39Å; V30-V60 PolarHBondContact O-N 2.89Å |
| 31 | K | 93.1 | Very high | 89.3 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 34% | 0.343 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 118.1 | 173.7 | -69.7 | 179.9 | 176.1 | 175.1 | 0 | 110.4 | K7 D8 A11 | K7-K31 PolarHBondContact O-NZ 2.89Å; D8-K31 WeakPolarHBondContact OD1-CE 3.42Å; D8-K31 IonicContact OD1-NZ 3.93Å; D8-K31 PolarHBondContact OD1-NZ 3Å; A11-K31 VanDerWaalsContact CB-CE 3.42Å |
| 32 | V | 94.4 | Very high | 90.1 | Very high | 9 Ų | 9 | 61.2 Ų | 61.2 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122.4 | -179.1 | -171.1 | 0 | 0 | 0 | 0 | 109.2 | V30 L41 F59 V60 A65 R68 A69 | V30-V32 PolarHBondContact O-N 3.37Å; V32-L41 HydrophobicContact CB-CD1 4.35Å; V32-L41 HydrophobicContact CG1-CD1 3.98Å; V32-L41 HydrophobicContact CG2-CD1 4Å; V32-F59 HydrophobicContact CG2-CB 4.26Å; V32-F59 HydrophobicContact CG2-CD1 4Å; V32-V60 WeakPolarHBondContact CB-O 3.39Å; V32-V60 PolarHBondContact N-O 3.43Å; V32-A65 HydrophobicContact CG1-CB 4.45Å; V32-A65 WeakPolarHBondContact O-CB 3.32Å; V32-R68 HydrophobicContact CG1-CB 3.86Å; V32-R68 HydrophobicContact CG1-CG 3.77Å; V32-A69 HydrophobicContact CB-CB 4.18Å; V32-A69 HydrophobicContact CG1-CB 4.46Å; V32-A69 HydrophobicContact CG2-CB 3.89Å |
| 33 | K | 94.1 | Very high | 90.9 | Very high | 138 Ų | 138 | 68 Ų | 68 | 60% | 0.6 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -103.5 | 157.1 | 171.9 | -59.5 | 180 | -179.8 | 175.4 | 0 | 109.6 | S35 S36 | K33-S35 PolarHBondContact O-N 2.89Å; K33-S36 WeakPolarHBondContact CB-OG 3.41Å; K33-S36 PolarHBondContact N-OG 3.08Å; K33-S36 VanDerWaalsContact N-OG 3.09Å; K33-S36 WeakPolarHBondContact O-CB 3.47Å; K33-S36 PolarHBondContact O-N 3.02Å; K33-S36 PolarHBondContact O-OG 3.31Å |
| 34 | S | 92 | Very high | 91.6 | Very high | 58 Ų | 58 | 70.4 Ų | 70.4 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -8.4 | 174.2 | -43.5 | 0 | 0 | 0 | 0 | 113.6 | S64 R68 | S34-S64 PolarHBondContact OG-OG 2.94Å; S34-R68 PolarHBondContact O-NH1 2.79Å; S34-R68 PolarHBondContact O-NH2 2.85Å |
| 35 | S | 93.8 | Very high | 92.6 | Very high | 104 Ų | 104 | 67.6 Ų | 67.6 | 73% | 0.727 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -8.1 | 171.8 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | K33 R68 | K33-S35 PolarHBondContact O-N 2.89Å; S35-R68 VanDerWaalsContact C-NH1 3.25Å |
| 36 | S | 93.2 | Very high | 93.3 | Very high | 24 Ų | 24 | 61.2 Ų | 61.2 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -66.4 | 137.1 | -177.6 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | K33 V38 R68 | K33-S36 WeakPolarHBondContact CB-OG 3.41Å; K33-S36 PolarHBondContact N-OG 3.08Å; K33-S36 VanDerWaalsContact N-OG 3.09Å; K33-S36 WeakPolarHBondContact O-CB 3.47Å; K33-S36 PolarHBondContact O-N 3.02Å; K33-S36 PolarHBondContact O-OG 3.31Å; S36-V38 PolarHBondContact O-N 2.84Å; S36-R68 VanDerWaalsContact O-CD 3.3Å; S36-R68 WeakPolarHBondContact O-CD 3.36Å; S36-R68 PolarHBondContact O-NH1 2.93Å |
| 37 | S | 95.6 | Very high | 93.8 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | trans | -71.7 | 117.8 | 171.8 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | K39 N40 L41 | S37-K39 VanDerWaalsContact C-N 3.28Å; S37-K39 PolarHBondContact O-N 3.36Å; S37-N40 PolarHBondContact O-N 3.47Å; S37-N40 VanDerWaalsContact O-N 3.15Å; S37-N40 PolarHBondContact OG-N 2.92Å; S37-L41 WeakPolarHBondContact O-CG 3.35Å; S37-L41 PolarHBondContact O-N 3.41Å; S37-L41 VanDerWaalsContact O-N 3.08Å | ||
| 38 | V | 95.6 | Very high | 94 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 30% | 0.297 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -54.4 | -45.8 | 177.1 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | S36 N40 L41 V42 R68 | S36-V38 PolarHBondContact O-N 2.84Å; V38-N40 VanDerWaalsContact C-N 3.3Å; V38-N40 PolarHBondContact O-N 3.23Å; V38-L41 PolarHBondContact O-N 3.01Å; V38-V42 HydrophobicContact CG1-CG2 4.11Å; V38-V42 WeakPolarHBondContact O-CB 3.25Å; V38-V42 VanDerWaalsContact O-CG2 3.28Å; V38-V42 WeakPolarHBondContact O-CG2 3.38Å; V38-V42 PolarHBondContact O-N 2.89Å; V38-R68 HydrophobicContact CG2-CG 3.56Å |
| 39 | K | 96.1 | Very high | 94 | Very high | 163 Ų | 163 | 62.1 Ų | 62.1 | 71% | 0.709 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.9 | -41.4 | -179.9 | -174.2 | 179.2 | -179.8 | -179.1 | 0 | 112.1 | S37 R43 | S37-K39 VanDerWaalsContact C-N 3.28Å; S37-K39 PolarHBondContact O-N 3.36Å; K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 PolarHBondContact O-N 2.82Å |
| 40 | N | 96.3 | Very high | 93.8 | Very high | 107 Ų | 107 | 63.6 Ų | 63.6 | 57% | 0.572 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -69.4 | -41.7 | -179.7 | -66.2 | 2.4 | 0 | 0 | 0 | 111.1 | S37 V38 R43 F44 | S37-N40 PolarHBondContact O-N 3.47Å; S37-N40 VanDerWaalsContact O-N 3.15Å; S37-N40 PolarHBondContact OG-N 2.92Å; V38-N40 VanDerWaalsContact C-N 3.3Å; V38-N40 PolarHBondContact O-N 3.23Å; N40-R43 PolarHBondContact O-N 3.08Å; N40-F44 WeakPolarHBondContact O-CB 3.48Å; N40-F44 PolarHBondContact O-N 3.37Å |
| 41 | L | 96.7 | Very high | 93.3 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 178 | -64.3 | -174.5 | 0 | 0 | 0 | 112.2 | V30 V32 S37 V38 F44 A45 F59 | V30-L41 HydrophobicContact CG1-CB 4.35Å; V30-L41 HydrophobicContact CG1-CD1 4.32Å; V30-L41 HydrophobicContact CG1-CD2 3.82Å; V30-L41 HydrophobicContact CG1-CG 4.39Å; V32-L41 HydrophobicContact CB-CD1 4.35Å; V32-L41 HydrophobicContact CG1-CD1 3.98Å; V32-L41 HydrophobicContact CG2-CD1 4Å; S37-L41 WeakPolarHBondContact O-CG 3.35Å; S37-L41 PolarHBondContact O-N 3.41Å; S37-L41 VanDerWaalsContact O-N 3.08Å; V38-L41 PolarHBondContact O-N 3.01Å; L41-F44 PolarHBondContact O-N 2.94Å; L41-A45 WeakPolarHBondContact O-CB 3.38Å; L41-A45 PolarHBondContact O-N 3.25Å; L41-F59 HydrophobicContact CB-CE1 4.35Å |
| 42 | V | 96.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | V38 A45 K46 C72 L76 E79 | V38-V42 HydrophobicContact CG1-CG2 4.11Å; V38-V42 WeakPolarHBondContact O-CB 3.25Å; V38-V42 VanDerWaalsContact O-CG2 3.28Å; V38-V42 WeakPolarHBondContact O-CG2 3.38Å; V38-V42 PolarHBondContact O-N 2.89Å; V42-A45 PolarHBondContact O-N 3.43Å; V42-K46 WeakPolarHBondContact O-CB 3.43Å; V42-K46 PolarHBondContact O-N 3.1Å; V42-C72 HydrophobicContact CG2-CB 4.26Å; V42-C72 VanDerWaalsContact CG2-O 3.32Å; V42-C72 WeakPolarHBondContact CG2-O 3.37Å; V42-L76 HydrophobicContact CG1-CB 4.39Å; V42-E79 HydrophobicContact CG1-CG 4.4Å; V42-E79 WeakPolarHBondContact CG1-OE1 3.34Å |
| 43 | R | 95.2 | Very high | 91.4 | Very high | 159 Ų | 159 | 73.1 Ų | 73.1 | 60% | 0.6 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.2 | -49.4 | 176.7 | -179.8 | 179.9 | 173.3 | -177.5 | -0.3 | 111.6 | K39 N40 A45 K46 E47 | K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 PolarHBondContact O-N 2.82Å; N40-R43 PolarHBondContact O-N 3.08Å; R43-A45 PolarHBondContact O-N 3.03Å; R43-K46 PolarHBondContact O-N 3.1Å; R43-E47 WeakPolarHBondContact CG-OE1 3.35Å; R43-E47 IonicContact CZ-OE1 2.71Å; R43-E47 IonicContact NE-OE1 2.68Å; R43-E47 PolarHBondContact NE-OE1 3.23Å; R43-E47 IonicContact NH2-OE1 2.86Å; R43-E47 PolarHBondContact NH2-OE1 3.34Å; R43-E47 WeakPolarHBondContact O-CG 3.47Å; R43-E47 PolarHBondContact O-N 3.27Å |
| 44 | F | 94.5 | Very high | 90.9 | Very high | 104 Ų | 104 | 70.9 Ų | 70.9 | 46% | 0.456 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.2 | -49.2 | 176.9 | 172.4 | -93.2 | 0 | 0 | 0 | 111.6 | V30 N40 L41 K46 E47 A48 | V30-F44 HydrophobicContact CG2-CD1 3.73Å; V30-F44 HydrophobicContact CG2-CE1 3.67Å; N40-F44 WeakPolarHBondContact O-CB 3.48Å; N40-F44 PolarHBondContact O-N 3.37Å; L41-F44 PolarHBondContact O-N 2.94Å; F44-K46 VanDerWaalsContact C-N 3.31Å; F44-K46 PolarHBondContact O-N 3.31Å; F44-E47 PolarHBondContact O-N 3.06Å; F44-A48 WeakPolarHBondContact O-CB 3.45Å; F44-A48 PolarHBondContact O-N 3.01Å |
| 45 | A | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.8 | -37 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L41 V42 R43 A48 L49 V57 F59 L76 | L41-A45 WeakPolarHBondContact O-CB 3.38Å; L41-A45 PolarHBondContact O-N 3.25Å; V42-A45 PolarHBondContact O-N 3.43Å; R43-A45 PolarHBondContact O-N 3.03Å; A45-A48 PolarHBondContact O-N 3.45Å; A45-L49 WeakPolarHBondContact O-CB 3.48Å; A45-L49 WeakPolarHBondContact O-CG 3.33Å; A45-L49 PolarHBondContact O-N 2.99Å; A45-V57 HydrophobicContact CB-CG1 4.02Å; A45-V57 HydrophobicContact CB-CG2 4.43Å; A45-F59 HydrophobicContact CB-CE1 4.14Å; A45-F59 HydrophobicContact CB-CE2 3.98Å; A45-F59 HydrophobicContact CB-CZ 3.32Å; A45-L76 HydrophobicContact CB-CD1 4.26Å; A45-L76 HydrophobicContact CB-CD2 3.9Å |
| 46 | K | 93.5 | Very high | 90.7 | Very high | 47 Ų | 47 | 69.1 Ų | 69.1 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 174.1 | 178.8 | -179.9 | 179.9 | -177.6 | 0 | 111.8 | V42 R43 F44 A48 L49 T50 L76 E79 | V42-K46 WeakPolarHBondContact O-CB 3.43Å; V42-K46 PolarHBondContact O-N 3.1Å; R43-K46 PolarHBondContact O-N 3.1Å; F44-K46 VanDerWaalsContact C-N 3.31Å; F44-K46 PolarHBondContact O-N 3.31Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 2.82Å; K46-L49 PolarHBondContact O-N 3.03Å; K46-T50 HydrophobicContact CG-CG2 4.44Å; K46-T50 WeakPolarHBondContact O-CB 3.32Å; K46-T50 WeakPolarHBondContact O-CG2 3.49Å; K46-T50 PolarHBondContact O-N 3.24Å; K46-T50 PolarHBondContact O-OG1 3.24Å; K46-L76 HydrophobicContact CB-CD1 3.82Å; K46-E79 HydrophobicContact CD-CB 4.42Å; K46-E79 WeakPolarHBondContact CD-OE2 3.49Å; K46-E79 WeakPolarHBondContact CE-OE2 3.48Å; K46-E79 IonicContact NZ-OE2 2.76Å; K46-E79 PolarHBondContact NZ-OE2 3.42Å |
| 47 | E | 92.7 | Very high | 90.7 | Very high | 102 Ų | 102 | 68 Ų | 68 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.2 | -72.3 | 170.6 | -174.1 | 0 | 0 | 110.5 | R43 F44 T50 G51 | R43-E47 WeakPolarHBondContact CG-OE1 3.35Å; R43-E47 IonicContact CZ-OE1 2.71Å; R43-E47 IonicContact NE-OE1 2.68Å; R43-E47 PolarHBondContact NE-OE1 3.23Å; R43-E47 IonicContact NH2-OE1 2.86Å; R43-E47 PolarHBondContact NH2-OE1 3.34Å; R43-E47 WeakPolarHBondContact O-CG 3.47Å; R43-E47 PolarHBondContact O-N 3.27Å; F44-E47 PolarHBondContact O-N 3.06Å; E47-T50 PolarHBondContact O-N 3.43Å; E47-G51 PolarHBondContact O-N 3.09Å |
| 48 | A | 91.9 | Very high | 90.7 | Very high | 14 Ų | 14 | 65.3 Ų | 65.3 | 12% | 0.116 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A28 F44 A45 K46 V57 | A28-A48 HydrophobicContact CB-CB 3.86Å; F44-A48 WeakPolarHBondContact O-CB 3.45Å; F44-A48 PolarHBondContact O-N 3.01Å; A45-A48 PolarHBondContact O-N 3.45Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 2.82Å; A48-V57 HydrophobicContact CB-CG2 4.08Å |
| 49 | L | 90.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.1 | -31.8 | 178.9 | -74.5 | 176.9 | 0 | 0 | 0 | 113.7 | A45 K46 R55 V57 L76 L80 T141 L143 | A45-L49 WeakPolarHBondContact O-CB 3.48Å; A45-L49 WeakPolarHBondContact O-CG 3.33Å; A45-L49 PolarHBondContact O-N 2.99Å; K46-L49 PolarHBondContact O-N 3.03Å; L49-R55 WeakPolarHBondContact CD2-O 3.44Å; L49-V57 HydrophobicContact CD1-CG2 4.41Å; L49-V57 HydrophobicContact CD2-CB 4.23Å; L49-V57 HydrophobicContact CD2-CG2 3.74Å; L49-V57 HydrophobicContact CG-CB 4.33Å; L49-V57 HydrophobicContact CG-CG2 3.65Å; L49-L76 HydrophobicContact CD1-CD1 4.36Å; L49-L76 HydrophobicContact CD1-CD2 3.81Å; L49-L76 HydrophobicContact CD1-CG 4.38Å; L49-L80 HydrophobicContact CD1-CD1 3.87Å; L49-T141 HydrophobicContact CD1-CG2 4.28Å; L49-L143 HydrophobicContact CB-CD1 4.22Å; L49-L143 HydrophobicContact CB-CG 4.44Å; L49-L143 HydrophobicContact CD2-CG 4.35Å; L49-L143 WeakPolarHBondContact O-CD1 3.35Å |
| 50 | T | 85.9 | Confident | 90.5 | Very high | 84 Ų | 84 | 55.6 Ų | 55.6 | 52% | 0.515 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -89.6 | -15.7 | -178.8 | 55.3 | 0 | 0 | 0 | 0 | 113 | K46 E47 L80 | K46-T50 HydrophobicContact CG-CG2 4.44Å; K46-T50 WeakPolarHBondContact O-CB 3.32Å; K46-T50 WeakPolarHBondContact O-CG2 3.49Å; K46-T50 PolarHBondContact O-N 3.24Å; K46-T50 PolarHBondContact O-OG1 3.24Å; E47-T50 PolarHBondContact O-N 3.43Å; T50-L80 HydrophobicContact CG2-CD2 4.37Å |
| 51 | G | 83.7 | Confident | 90.4 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -65.7 | 155.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E47 E53 | E47-G51 PolarHBondContact O-N 3.09Å; G51-E53 PolarHBondContact O-N 2.89Å |
| 52 | A | 70.8 | Confident | 90.1 | Very high | 114 Ų | 114 | 53.7 Ų | 53.7 | 94% | 0.942 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -71.3 | -11.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 53 | E | 77.5 | Confident | 89.9 | Confident | 146 Ų | 146 | 54.7 Ų | 54.7 | 68% | 0.682 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -87.9 | -32.5 | -170.7 | -63.2 | -178.2 | 173.7 | 0 | 0 | 114 | G51 | G51-E53 PolarHBondContact O-N 2.89Š|
| 54 | R | 83.5 | Confident | 89.7 | Confident | 91 Ų | 91 | 51.7 Ų | 51.7 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | trans | -135.7 | 131.7 | -169.3 | -61.9 | 178.4 | -176.1 | 80.7 | -0.2 | 110.6 | A28 | A28-R54 VanDerWaalsContact CB-CD 3.47Š| ||
| 55 | R | 89.3 | Confident | 89.7 | Confident | 103 Ų | 103 | 46.9 Ų | 46.9 | 39% | 0.389 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -107.3 | -5.2 | 179.2 | -64.6 | -70.8 | -67.2 | 174.5 | -3.2 | 112.7 | E26 L49 S142 L143 D144 | E26-R55 PolarHBondContact O-N 2.68Å; L49-R55 WeakPolarHBondContact CD2-O 3.44Å; R55-S142 WeakPolarHBondContact O-CA 3.46Å; R55-L143 VanDerWaalsContact CZ-CB 3.43Å; R55-L143 VanDerWaalsContact NH1-CD1 3.33Å; R55-L143 PolarHBondContact O-N 3.14Å; R55-D144 VanDerWaalsContact CB-OD2 3.24Å; R55-D144 WeakPolarHBondContact CB-OD2 3.45Å; R55-D144 WeakPolarHBondContact CG-OD2 3.36Å; R55-D144 IonicContact CZ-OD1 3.56Å; R55-D144 IonicContact CZ-OD2 3.46Å; R55-D144 IonicContact NE-OD1 3.41Å; R55-D144 PolarHBondContact NE-OD1 3.29Å; R55-D144 IonicContact NE-OD2 3.35Å; R55-D144 PolarHBondContact NE-OD2 3.26Å; R55-D144 IonicContact NH2-OD1 2.82Å; R55-D144 PolarHBondContact NH2-OD1 3.26Å; R55-D144 IonicContact NH2-OD2 2.72Å |
| 56 | K | 91.9 | Very high | 89.7 | Confident | 22 Ų | 22 | 47.7 Ų | 47.7 | 10% | 0.096 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 141 | -172.1 | -58.2 | 173.9 | -171.2 | 153 | 0 | 110 | L22 E26 I27 A28 L140 T141 | L22-K56 HydrophobicContact CD2-CD 3.42Å; L22-K56 VanDerWaalsContact CD2-CD 3.42Å; E26-K56 PolarHBondContact O-N 2.78Å; E26-K56 IonicContact OE2-NZ 3.03Å; E26-K56 PolarHBondContact OE2-NZ 2.89Å; I27-K56 WeakPolarHBondContact CA-O 3.4Å; I27-K56 HydrophobicContact CB-CB 4.49Å; A28-K56 PolarHBondContact N-O 2.99Å; K56-L140 HydrophobicContact CB-CD1 4.14Å; K56-T141 CarbonylContact C-O 3.54Å; K56-T141 WeakPolarHBondContact CA-O 3.27Å |
| 57 | V | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 136.8 | 172.1 | 169.8 | 0 | 0 | 0 | 0 | 108.7 | A28 V30 A45 A48 L49 F59 T141 | A28-V57 HydrophobicContact CB-CG2 3.85Å; A28-V57 CarbonylContact O-C 3.59Å; A28-V57 VanDerWaalsContact O-CA 3.25Å; A28-V57 WeakPolarHBondContact O-CA 3.16Å; V30-V57 HydrophobicContact CG2-CG1 3.82Å; A45-V57 HydrophobicContact CB-CG1 4.02Å; A45-V57 HydrophobicContact CB-CG2 4.43Å; A48-V57 HydrophobicContact CB-CG2 4.08Å; L49-V57 HydrophobicContact CD1-CG2 4.41Å; L49-V57 HydrophobicContact CD2-CB 4.23Å; L49-V57 HydrophobicContact CD2-CG2 3.74Å; L49-V57 HydrophobicContact CG-CB 4.33Å; L49-V57 HydrophobicContact CG-CG2 3.65Å; V57-F59 HydrophobicContact CG1-CD2 3.97Å; V57-F59 HydrophobicContact CG1-CE2 3.68Å; V57-F59 HydrophobicContact CG1-CZ 4.22Å; V57-T141 PolarHBondContact N-O 2.81Å; V57-T141 PolarHBondContact O-N 3.31Å |
| 58 | V | 94 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124 | 168.5 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | L15 Y19 I27 A28 V30 V60 L139 L140 | L15-V58 HydrophobicContact CD2-CB 4.1Å; L15-V58 HydrophobicContact CD2-CG1 3.51Å; L15-V58 HydrophobicContact CD2-CG2 4.22Å; Y19-V58 HydrophobicContact CE2-CG2 4.3Å; I27-V58 HydrophobicContact CD1-CB 3.85Å; I27-V58 HydrophobicContact CD1-CG2 3.22Å; I27-V58 HydrophobicContact CG1-CG2 4.28Å; A28-V58 PolarHBondContact O-N 2.68Å; V30-V58 PolarHBondContact N-O 3.4Å; V58-V60 HydrophobicContact CG1-CG2 4Å; V58-L139 WeakPolarHBondContact CA-O 3.49Å; V58-L140 HydrophobicContact CG2-CB 3.88Å; V58-L140 HydrophobicContact CG2-CD1 3.5Å; V58-L140 HydrophobicContact CG2-CG 4.28Å |
| 59 | F | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.2 | 166.5 | -65.3 | -96.5 | 0 | 0 | 0 | 109.8 | V30 V32 L41 A45 V57 A69 C72 V73 L76 Y138 L139 | V30-F59 HydrophobicContact CB-CD1 3.79Å; V30-F59 HydrophobicContact CB-CE1 4.07Å; V30-F59 HydrophobicContact CB-CG 4.33Å; V30-F59 HydrophobicContact CG1-CD1 3.65Å; V30-F59 HydrophobicContact CG1-CE1 3.78Å; V30-F59 HydrophobicContact CG2-CD1 4.5Å; V30-F59 HydrophobicContact CG2-CE1 4.36Å; V30-F59 WeakPolarHBondContact O-CA 3.39Å; V32-F59 HydrophobicContact CG2-CB 4.26Å; V32-F59 HydrophobicContact CG2-CD1 4Å; L41-F59 HydrophobicContact CB-CE1 4.35Å; A45-F59 HydrophobicContact CB-CE1 4.14Å; A45-F59 HydrophobicContact CB-CE2 3.98Å; A45-F59 HydrophobicContact CB-CZ 3.32Å; V57-F59 HydrophobicContact CG1-CD2 3.97Å; V57-F59 HydrophobicContact CG1-CE2 3.68Å; V57-F59 HydrophobicContact CG1-CZ 4.22Å; F59-A69 HydrophobicContact CB-CB 4.41Å; F59-C72 HydrophobicContact CD1-CB 3.67Å; F59-C72 HydrophobicContact CE1-CB 3.43Å; F59-C72 VanDerWaalsContact CE1-CB 3.43Å; F59-C72 HydrophobicContact CG-CB 4.43Å; F59-C72 HydrophobicContact CZ-CB 4.02Å; F59-V73 HydrophobicContact CB-CG2 4.15Å; F59-V73 HydrophobicContact CD2-CG2 3.31Å; F59-V73 HydrophobicContact CE2-CG2 3.79Å; F59-V73 HydrophobicContact CG-CG2 3.86Å; F59-L76 HydrophobicContact CE2-CD2 3.75Å; F59-L76 HydrophobicContact CZ-CD2 4.08Å; F59-Y138 WeakPolarHBondContact O-CA 3.36Å; F59-L139 HydrophobicContact CB-CB 4.33Å; F59-L139 PolarHBondContact N-O 2.73Å; F59-L139 PolarHBondContact O-N 2.84Å |
| 60 | V | 94 | Very high | 90.4 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114 | 177.8 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | L15 V29 V30 V32 V58 I62 I137 Y138 | L15-V60 HydrophobicContact CD2-CG2 4.48Å; V29-V60 HydrophobicContact CG1-CG2 4.21Å; V30-V60 PolarHBondContact O-N 2.89Å; V32-V60 WeakPolarHBondContact CB-O 3.39Å; V32-V60 PolarHBondContact N-O 3.43Å; V58-V60 HydrophobicContact CG1-CG2 4Å; V60-I62 HydrophobicContact CG1-CG1 4.45Å; V60-I137 WeakPolarHBondContact CA-O 3.19Å; V60-Y138 HydrophobicContact CB-CD1 4.47Å; V60-Y138 HydrophobicContact CG1-CD1 4.02Å; V60-Y138 HydrophobicContact CG1-CE1 3.73Å; V60-Y138 HydrophobicContact CG2-CD1 3.86Å; V60-Y138 HydrophobicContact CG2-CE1 4.17Å |
| 61 | G | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | C66 S136 I137 | G61-C66 PolarHBondContact O-SG 2.83Å; G61-S136 CarbonylContact O-C 3.55Å; G61-S136 WeakPolarHBondContact O-CA 3.23Å; G61-I137 PolarHBondContact N-O 3.03Å; G61-I137 PolarHBondContact O-N 3.02Å |
| 62 | I | 91.5 | Very high | 91.6 | Very high | 94 Ų | 94 | 48.1 Ų | 48.1 | 48% | 0.482 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.1 | 177.6 | -57.1 | 176.6 | 0 | 0 | 0 | 108.7 | V60 S64 A65 V134 E135 | V60-I62 HydrophobicContact CG1-CG1 4.45Å; I62-S64 PolarHBondContact O-N 2.8Å; I62-A65 WeakPolarHBondContact O-CB 3.23Å; I62-A65 PolarHBondContact O-N 2.81Å; I62-V134 HydrophobicContact CG2-CG1 3.41Å; I62-V134 VanDerWaalsContact CG2-CG1 3.41Å; I62-E135 CarbonylContact C-O 3.56Å |
| 63 | G | 91.2 | Very high | 92.8 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | 51.6 | -121.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A65 C66 E135 | G63-A65 PolarHBondContact O-N 2.87Å; G63-C66 WeakPolarHBondContact O-CB 3.48Å; G63-C66 PolarHBondContact O-N 3.15Å; G63-C66 PolarHBondContact O-SG 3.46Å; G63-E135 PolarHBondContact N-O 2.98Å |
| 64 | S | 91.3 | Very high | 93.7 | Very high | 96 Ų | 96 | 39.4 Ų | 39.4 | 67% | 0.671 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -60.7 | -14 | 179.6 | 61.9 | 0 | 0 | 0 | 0 | 114.8 | S34 I62 | S34-S64 PolarHBondContact OG-OG 2.94Å; I62-S64 PolarHBondContact O-N 2.8Å |
| 65 | A | 94 | Very high | 94.3 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -84.2 | -8.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | V32 I62 G63 S67 R68 A69 | V32-A65 HydrophobicContact CG1-CB 4.45Å; V32-A65 WeakPolarHBondContact O-CB 3.32Å; I62-A65 WeakPolarHBondContact O-CB 3.23Å; I62-A65 PolarHBondContact O-N 2.81Å; G63-A65 PolarHBondContact O-N 2.87Å; A65-S67 PolarHBondContact O-N 3.09Å; A65-R68 WeakPolarHBondContact O-CB 3.3Å; A65-R68 PolarHBondContact O-N 3.13Å; A65-R68 VanDerWaalsContact O-N 3.16Å; A65-A69 PolarHBondContact O-N 2.96Å |
| 66 | C | 94.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 11% | 0.108 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.1 | -48.9 | -179.3 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | G61 G63 R68 A69 I70 I137 | G61-C66 PolarHBondContact O-SG 2.83Å; G63-C66 WeakPolarHBondContact O-CB 3.48Å; G63-C66 PolarHBondContact O-N 3.15Å; G63-C66 PolarHBondContact O-SG 3.46Å; C66-R68 PolarHBondContact O-N 3.23Å; C66-A69 WeakPolarHBondContact O-CB 3.28Å; C66-A69 PolarHBondContact O-N 3.15Å; C66-A69 VanDerWaalsContact O-N 3.09Å; C66-I70 WeakPolarHBondContact O-CG1 3.42Å; C66-I70 PolarHBondContact O-N 3.15Å; C66-I70 VanDerWaalsContact O-N 3.08Å; C66-I137 HydrophobicContact CB-CB 4.46Å; C66-I137 HydrophobicContact CB-CG2 3.79Å |
| 67 | S | 95.4 | Very high | 94.7 | Very high | 79 Ų | 79 | 31.3 Ų | 31.3 | 55% | 0.552 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -60.2 | -34.3 | 177.6 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | A65 S71 | A65-S67 PolarHBondContact O-N 3.09Å; S67-S71 PolarHBondContact O-N 3.27Å; S67-S71 PolarHBondContact O-OG 3.48Å |
| 68 | R | 96.1 | Very high | 94.7 | Very high | 75 Ų | 75 | 39.4 Ų | 39.4 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.9 | -36.8 | 176.5 | -168.5 | 169.7 | -67.7 | 176.5 | 13 | 112 | V32 S34 S35 S36 V38 A65 C66 I70 S71 C72 | V32-R68 HydrophobicContact CG1-CB 3.86Å; V32-R68 HydrophobicContact CG1-CG 3.77Å; S34-R68 PolarHBondContact O-NH1 2.79Å; S34-R68 PolarHBondContact O-NH2 2.85Å; S35-R68 VanDerWaalsContact C-NH1 3.25Å; S36-R68 VanDerWaalsContact O-CD 3.3Å; S36-R68 WeakPolarHBondContact O-CD 3.36Å; S36-R68 PolarHBondContact O-NH1 2.93Å; V38-R68 HydrophobicContact CG2-CG 3.56Å; A65-R68 WeakPolarHBondContact O-CB 3.3Å; A65-R68 PolarHBondContact O-N 3.13Å; A65-R68 VanDerWaalsContact O-N 3.16Å; C66-R68 PolarHBondContact O-N 3.23Å; R68-I70 VanDerWaalsContact C-N 3.33Å; R68-S71 WeakPolarHBondContact O-CB 3.45Å; R68-S71 PolarHBondContact O-N 2.75Å; R68-C72 PolarHBondContact O-N 3.34Å; R68-C72 PolarHBondContact O-SG 3.22Å |
| 69 | A | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V32 F59 A65 C66 S71 C72 V73 I137 L139 | V32-A69 HydrophobicContact CB-CB 4.18Å; V32-A69 HydrophobicContact CG1-CB 4.46Å; V32-A69 HydrophobicContact CG2-CB 3.89Å; F59-A69 HydrophobicContact CB-CB 4.41Å; A65-A69 PolarHBondContact O-N 2.96Å; C66-A69 WeakPolarHBondContact O-CB 3.28Å; C66-A69 PolarHBondContact O-N 3.15Å; C66-A69 VanDerWaalsContact O-N 3.09Å; A69-S71 VanDerWaalsContact C-N 3.34Å; A69-S71 PolarHBondContact O-N 3.33Å; A69-C72 WeakPolarHBondContact O-CB 3.32Å; A69-C72 PolarHBondContact O-N 3.33Å; A69-V73 PolarHBondContact O-N 3.25Å; A69-V73 VanDerWaalsContact O-N 3.13Å; A69-I137 HydrophobicContact CB-CG2 3.97Å; A69-L139 VanDerWaalsContact C-CD1 3.47Å; A69-L139 HydrophobicContact CB-CD1 4Å |
| 70 | I | 96.7 | Very high | 94.4 | Very high | 78 Ų | 78 | 42.3 Ų | 42.3 | 40% | 0.4 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58 | -47.4 | 172.9 | -61.6 | 168.1 | 0 | 0 | 0 | 110.6 | C66 R68 C72 V73 E74 I137 L139 | C66-I70 WeakPolarHBondContact O-CG1 3.42Å; C66-I70 PolarHBondContact O-N 3.15Å; C66-I70 VanDerWaalsContact O-N 3.08Å; R68-I70 VanDerWaalsContact C-N 3.33Å; I70-C72 VanDerWaalsContact C-N 3.26Å; I70-C72 PolarHBondContact O-N 3.33Å; I70-V73 PolarHBondContact O-N 3.08Å; I70-V73 VanDerWaalsContact O-N 3.15Å; I70-E74 HydrophobicContact CG2-CG 4.39Å; I70-E74 PolarHBondContact O-N 2.86Å; I70-I137 HydrophobicContact CD1-CD1 3.92Å; I70-I137 HydrophobicContact CG1-CD1 3.76Å; I70-L139 HydrophobicContact CG1-CD1 4.14Å |
| 71 | S | 97.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 44.4 Ų | 44.4 | 41% | 0.413 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.6 | -35.8 | 178.8 | -59.6 | 0 | 0 | 0 | 0 | 112.9 | S67 R68 A69 G75 | S67-S71 PolarHBondContact O-N 3.27Å; S67-S71 PolarHBondContact O-OG 3.48Å; R68-S71 WeakPolarHBondContact O-CB 3.45Å; R68-S71 PolarHBondContact O-N 2.75Å; A69-S71 VanDerWaalsContact C-N 3.34Å; A69-S71 PolarHBondContact O-N 3.33Å; S71-G75 PolarHBondContact O-N 3.06Å |
| 72 | C | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 175.6 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | V42 F59 R68 A69 I70 G75 L76 | V42-C72 HydrophobicContact CG2-CB 4.26Å; V42-C72 VanDerWaalsContact CG2-O 3.32Å; V42-C72 WeakPolarHBondContact CG2-O 3.37Å; F59-C72 HydrophobicContact CD1-CB 3.67Å; F59-C72 HydrophobicContact CE1-CB 3.43Å; F59-C72 VanDerWaalsContact CE1-CB 3.43Å; F59-C72 HydrophobicContact CG-CB 4.43Å; F59-C72 HydrophobicContact CZ-CB 4.02Å; R68-C72 PolarHBondContact O-N 3.34Å; R68-C72 PolarHBondContact O-SG 3.22Å; A69-C72 WeakPolarHBondContact O-CB 3.32Å; A69-C72 PolarHBondContact O-N 3.33Å; I70-C72 VanDerWaalsContact C-N 3.26Å; I70-C72 PolarHBondContact O-N 3.33Å; C72-G75 PolarHBondContact O-N 3.23Å; C72-L76 WeakPolarHBondContact O-CB 3.33Å; C72-L76 PolarHBondContact O-N 2.85Å |
| 73 | V | 96.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 179.8 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | F59 A69 I70 G75 L76 K77 L139 | F59-V73 HydrophobicContact CB-CG2 4.15Å; F59-V73 HydrophobicContact CD2-CG2 3.31Å; F59-V73 HydrophobicContact CE2-CG2 3.79Å; F59-V73 HydrophobicContact CG-CG2 3.86Å; A69-V73 PolarHBondContact O-N 3.25Å; A69-V73 VanDerWaalsContact O-N 3.13Å; I70-V73 PolarHBondContact O-N 3.08Å; I70-V73 VanDerWaalsContact O-N 3.15Å; V73-G75 VanDerWaalsContact C-N 3.33Å; V73-G75 PolarHBondContact O-N 3Å; V73-L76 PolarHBondContact O-N 2.87Å; V73-K77 HydrophobicContact CG1-CD 3.85Å; V73-K77 HydrophobicContact CG1-CG 4.44Å; V73-K77 WeakPolarHBondContact O-CB 3.45Å; V73-K77 VanDerWaalsContact O-CG 3.32Å; V73-K77 WeakPolarHBondContact O-CG 3.17Å; V73-K77 PolarHBondContact O-N 2.77Å; V73-L139 HydrophobicContact CB-CD1 4.28Å; V73-L139 HydrophobicContact CG2-CB 3.65Å; V73-L139 HydrophobicContact CG2-CD1 3.67Å; V73-L139 HydrophobicContact CG2-CG 4.24Å |
| 74 | E | 96.5 | Very high | 93.3 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.9 | -30.6 | 176 | -67.9 | -54.7 | 138.7 | 0 | 0 | 112.8 | I70 K77 R78 | I70-E74 HydrophobicContact CG2-CG 4.39Å; I70-E74 PolarHBondContact O-N 2.86Å; E74-K77 IonicContact OE1-NZ 3.53Å; E74-K77 PolarHBondContact OE1-NZ 2.97Å; E74-K77 IonicContact OE2-NZ 3.85Å; E74-R78 WeakPolarHBondContact O-CG 3.35Å; E74-R78 PolarHBondContact O-N 2.78Å; E74-R78 PolarHBondContact O-NE 3.46Å |
| 75 | G | 95.9 | Very high | 93.1 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S71 C72 V73 R78 E79 | S71-G75 PolarHBondContact O-N 3.06Å; C72-G75 PolarHBondContact O-N 3.23Å; V73-G75 VanDerWaalsContact C-N 3.33Å; V73-G75 PolarHBondContact O-N 3Å; G75-R78 PolarHBondContact O-N 3.46Å; G75-E79 PolarHBondContact O-N 3.39Å; G75-E79 VanDerWaalsContact O-N 3.08Å |
| 76 | L | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 179.3 | 179.7 | 63.1 | 0 | 0 | 0 | 112.1 | V42 A45 K46 L49 F59 C72 V73 R78 E79 L80 T141 | V42-L76 HydrophobicContact CG1-CB 4.39Å; A45-L76 HydrophobicContact CB-CD1 4.26Å; A45-L76 HydrophobicContact CB-CD2 3.9Å; K46-L76 HydrophobicContact CB-CD1 3.82Å; L49-L76 HydrophobicContact CD1-CD1 4.36Å; L49-L76 HydrophobicContact CD1-CD2 3.81Å; L49-L76 HydrophobicContact CD1-CG 4.38Å; F59-L76 HydrophobicContact CE2-CD2 3.75Å; F59-L76 HydrophobicContact CZ-CD2 4.08Å; C72-L76 WeakPolarHBondContact O-CB 3.33Å; C72-L76 PolarHBondContact O-N 2.85Å; V73-L76 PolarHBondContact O-N 2.87Å; L76-R78 PolarHBondContact O-N 3.18Å; L76-E79 PolarHBondContact O-N 2.95Å; L76-L80 HydrophobicContact CD1-CD1 3.91Å; L76-L80 HydrophobicContact CD1-CG 4.26Å; L76-L80 HydrophobicContact CG-CD1 4.02Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 2.66Å; L76-T141 HydrophobicContact CD2-CG2 4.15Å |
| 77 | K | 94.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.2 | -47.8 | 176.4 | -75.5 | 165.2 | 64.6 | -176.5 | 0 | 111.5 | V73 E74 E79 L80 S81 I87 | V73-K77 HydrophobicContact CG1-CD 3.85Å; V73-K77 HydrophobicContact CG1-CG 4.44Å; V73-K77 WeakPolarHBondContact O-CB 3.45Å; V73-K77 VanDerWaalsContact O-CG 3.32Å; V73-K77 WeakPolarHBondContact O-CG 3.17Å; V73-K77 PolarHBondContact O-N 2.77Å; E74-K77 IonicContact OE1-NZ 3.53Å; E74-K77 PolarHBondContact OE1-NZ 2.97Å; E74-K77 IonicContact OE2-NZ 3.85Å; K77-E79 VanDerWaalsContact C-N 3.34Å; K77-E79 PolarHBondContact O-N 2.86Å; K77-L80 PolarHBondContact O-N 3.39Å; K77-S81 WeakPolarHBondContact O-CB 3.15Å; K77-S81 PolarHBondContact O-N 2.95Å; K77-S81 PolarHBondContact O-OG 3.46Å; K77-I87 HydrophobicContact CB-CD1 4.22Å; K77-I87 HydrophobicContact CG-CD1 4.02Å; K77-I87 HydrophobicContact CG-CG2 4.43Å |
| 78 | R | 93.9 | Very high | 92.5 | Very high | 169 Ų | 169 | 59.3 Ų | 59.3 | 64% | 0.638 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58.6 | -44.1 | 176.1 | -74.7 | 179.7 | -68.9 | 165.6 | -2.4 | 112.2 | E74 G75 L76 L80 M82 | E74-R78 WeakPolarHBondContact O-CG 3.35Å; E74-R78 PolarHBondContact O-N 2.78Å; E74-R78 PolarHBondContact O-NE 3.46Å; G75-R78 PolarHBondContact O-N 3.46Å; L76-R78 PolarHBondContact O-N 3.18Å; R78-L80 VanDerWaalsContact C-N 3.33Å; R78-L80 PolarHBondContact O-N 3.45Å; R78-M82 WeakPolarHBondContact O-CG 3.49Å; R78-M82 PolarHBondContact O-N 2.81Å |
| 79 | E | 92 | Very high | 92.3 | Very high | 59 Ų | 59 | 57.1 Ų | 57.1 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.9 | -33.9 | 179.2 | -74 | -161.2 | -156.2 | 0 | 0 | 114.2 | V42 K46 G75 L76 K77 M82 | V42-E79 HydrophobicContact CG1-CG 4.4Å; V42-E79 WeakPolarHBondContact CG1-OE1 3.34Å; K46-E79 HydrophobicContact CD-CB 4.42Å; K46-E79 WeakPolarHBondContact CD-OE2 3.49Å; K46-E79 WeakPolarHBondContact CE-OE2 3.48Å; K46-E79 IonicContact NZ-OE2 2.76Å; K46-E79 PolarHBondContact NZ-OE2 3.42Å; G75-E79 PolarHBondContact O-N 3.39Å; G75-E79 VanDerWaalsContact O-N 3.08Å; L76-E79 PolarHBondContact O-N 2.95Å; K77-E79 VanDerWaalsContact C-N 3.34Å; K77-E79 PolarHBondContact O-N 2.86Å; E79-M82 HydrophobicContact CG-CE 4.37Å |
| 80 | L | 90 | Very high | 92.1 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -85.9 | -36 | -179.2 | -73.1 | 177.3 | 0 | 0 | 0 | 112.3 | L49 T50 L76 K77 R78 M82 K83 V85 I87 L143 | L49-L80 HydrophobicContact CD1-CD1 3.87Å; T50-L80 HydrophobicContact CG2-CD2 4.37Å; L76-L80 HydrophobicContact CD1-CD1 3.91Å; L76-L80 HydrophobicContact CD1-CG 4.26Å; L76-L80 HydrophobicContact CG-CD1 4.02Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 2.66Å; K77-L80 PolarHBondContact O-N 3.39Å; R78-L80 VanDerWaalsContact C-N 3.33Å; R78-L80 PolarHBondContact O-N 3.45Å; L80-M82 VanDerWaalsContact C-N 3.27Å; L80-M82 PolarHBondContact O-N 2.97Å; L80-K83 WeakPolarHBondContact O-CA 3.36Å; L80-K83 WeakPolarHBondContact O-CB 3.41Å; L80-K83 PolarHBondContact O-N 3.2Å; L80-V85 HydrophobicContact CB-CB 4.37Å; L80-V85 PolarHBondContact O-N 3.28Å; L80-I87 HydrophobicContact CB-CD1 3.36Å; L80-I87 HydrophobicContact CB-CG1 4.08Å; L80-I87 HydrophobicContact CD1-CD1 3.72Å; L80-I87 HydrophobicContact CD1-CG1 4.02Å; L80-I87 HydrophobicContact CG-CD1 4.17Å; L80-L143 HydrophobicContact CD1-CD2 4.39Å |
| 81 | S | 86.3 | Confident | 91.9 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -32 | 174.2 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | K77 K83 N84 | K77-S81 WeakPolarHBondContact O-CB 3.15Å; K77-S81 PolarHBondContact O-N 2.95Å; K77-S81 PolarHBondContact O-OG 3.46Å; S81-K83 PolarHBondContact O-N 2.85Å; S81-K83 VanDerWaalsContact O-N 3.1Å; S81-N84 PolarHBondContact O-N 2.75Å; S81-N84 VanDerWaalsContact O-N 3.1Å |
| 82 | M | 86 | Confident | 91.5 | Very high | 151 Ų | 151 | 53.2 Ų | 53.2 | 74% | 0.744 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -16.4 | 170.9 | -73.8 | -171.3 | -65.9 | 0 | 0 | 113.6 | R78 E79 L80 | R78-M82 WeakPolarHBondContact O-CG 3.49Å; R78-M82 PolarHBondContact O-N 2.81Å; E79-M82 HydrophobicContact CG-CE 4.37Å; L80-M82 VanDerWaalsContact C-N 3.27Å; L80-M82 PolarHBondContact O-N 2.97Å |
| 83 | K | 86.7 | Confident | 91.2 | Very high | 125 Ų | 125 | 57.9 Ų | 57.9 | 54% | 0.543 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 13 | 178.1 | -61.9 | -174.5 | 175.8 | -169.1 | 0 | 113.3 | L80 S81 V85 | L80-K83 WeakPolarHBondContact O-CA 3.36Å; L80-K83 WeakPolarHBondContact O-CB 3.41Å; L80-K83 PolarHBondContact O-N 3.2Å; S81-K83 PolarHBondContact O-N 2.85Å; S81-K83 VanDerWaalsContact O-N 3.1Å; K83-V85 HydrophobicContact CB-CG2 3.99Å; K83-V85 PolarHBondContact O-N 2.91Å |
| 84 | N | 87 | Confident | 90.7 | Very high | 148 Ų | 148 | 59.4 Ų | 59.4 | 79% | 0.791 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 32.1 | -174 | -58.7 | -41.5 | 0 | 0 | 0 | 113.8 | S81 | S81-N84 PolarHBondContact O-N 2.75Å; S81-N84 VanDerWaalsContact O-N 3.1Å |
| 85 | V | 87.1 | Confident | 90.2 | Very high | 50 Ų | 50 | 61.4 Ų | 61.4 | 30% | 0.303 | 31% | 0.306 | S | S | . | . | trans | -91.9 | 122.9 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | L80 K83 L143 | L80-V85 HydrophobicContact CB-CB 4.37Å; L80-V85 PolarHBondContact O-N 3.28Å; K83-V85 HydrophobicContact CB-CG2 3.99Å; K83-V85 PolarHBondContact O-N 2.91Å; V85-L143 HydrophobicContact CG1-CD2 3.5Å; V85-L143 VanDerWaalsContact CG1-CD2 3.5Å | ||
| 86 | T | 88.3 | Confident | 89.1 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | trans | -72.5 | 135.9 | 171.1 | -56.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 87 | I | 91.3 | Very high | 87.6 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 11% | 0.108 | 35% | 0.347 | C | S | . | . | trans | -128 | 128.9 | -177.6 | -56.5 | 162.5 | 0 | 0 | 0 | 107.9 | K77 L80 T141 | K77-I87 HydrophobicContact CB-CD1 4.22Å; K77-I87 HydrophobicContact CG-CD1 4.02Å; K77-I87 HydrophobicContact CG-CG2 4.43Å; L80-I87 HydrophobicContact CB-CD1 3.36Å; L80-I87 HydrophobicContact CB-CG1 4.08Å; L80-I87 HydrophobicContact CD1-CD1 3.72Å; L80-I87 HydrophobicContact CD1-CG1 4.02Å; L80-I87 HydrophobicContact CG-CD1 4.17Å; I87-T141 HydrophobicContact CG2-CG2 3.24Å | ||
| 88 | H | 92.2 | Very high | 85.6 | Confident | 51 Ų | 51 | 71 Ų | 71 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.4 | 171.7 | -61.2 | -88.3 | 0 | 0 | 0 | 109 | T141 S142 D144 L146 | H88-T141 CarbonylContact O-C 3.55Å; H88-T141 WeakPolarHBondContact O-CA 3.32Å; H88-S142 PolarHBondContact N-O 3.25Å; H88-S142 PolarHBondContact O-N 3.06Å; H88-D144 PolarHBondContact CD2-O 3.02Å; H88-L146 HydrophobicContact CB-CD1 4.08Å; H88-L146 HydrophobicContact CB-CG 3.86Å |
| 89 | Q | 92.6 | Very high | 83.4 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.3 | 180 | -175.9 | -173.9 | -29.6 | 0 | 0 | 110 | T91 L140 | Q89-T91 PolarHBondContact NE2-OG1 2.94Å; Q89-L140 CarbonylContact C-O 3.56Å; Q89-L140 VanDerWaalsContact CA-O 3.23Å; Q89-L140 WeakPolarHBondContact CA-O 3.44Å |
| 90 | R | 90.5 | Very high | 80.7 | Confident | 16 Ų | 16 | 68.2 Ų | 68.2 | 6% | 0.06 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.6 | 165.2 | -176.8 | 173.9 | -77.2 | 164.8 | 3.5 | 109.8 | Y19 F21 L140 L146 P147 E149 | Y19-R90 HydrophobicContact CE1-CB 4.16Å; Y19-R90 HydrophobicContact CE1-CG 3.78Å; Y19-R90 PolarHBondContact OH-O 3.44Å; F21-R90 VanDerWaalsContact CE1-NH1 3.28Å; R90-L140 HydrophobicContact CB-CB 4.33Å; R90-L140 HydrophobicContact CB-CD2 4.46Å; R90-L140 PolarHBondContact N-O 3.25Å; R90-L140 PolarHBondContact O-N 3.25Å; R90-L146 HydrophobicContact CB-CD1 3.78Å; R90-P147 PolarHBondContact NH1-O 2.92Å; R90-P147 PolarHBondContact NH2-O 3.26Å; R90-E149 IonicContact CZ-OE1 3.46Å; R90-E149 IonicContact NH1-OE1 2.78Å; R90-E149 PolarHBondContact NH1-OE1 3.27Å; R90-E149 IonicContact NH1-OE2 3.81Å |
| 91 | T | 92.3 | Very high | 77.9 | Confident | 25 Ų | 25 | 71.4 Ų | 71.4 | 15% | 0.153 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.5 | 179.1 | -57 | 0 | 0 | 0 | 0 | 108.9 | Q89 I93 I137 Y138 L139 S155 | Q89-T91 PolarHBondContact NE2-OG1 2.94Å; T91-I93 HydrophobicContact CG2-CG1 4.45Å; T91-I137 HydrophobicContact CG2-CD1 4.09Å; T91-I137 HydrophobicContact CG2-CG1 4.06Å; T91-Y138 CarbonylContact C-O 3.58Å; T91-Y138 WeakPolarHBondContact CA-O 3.37Å; T91-L139 HydrophobicContact CG2-CD2 3.58Å; T91-L139 VanDerWaalsContact OG1-CD2 3.31Å; T91-L139 WeakPolarHBondContact OG1-CD2 3.47Å; T91-S155 VanDerWaalsContact O-CB 3.28Å; T91-S155 WeakPolarHBondContact O-CB 3.36Å; T91-S155 PolarHBondContact O-OG 2.89Å |
| 92 | K | 90.2 | Very high | 75.6 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 6% | 0.061 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.1 | 166.1 | -67.7 | -159.4 | 174.3 | -168.3 | 0 | 109.7 | L18 Y19 Y138 E149 D153 | L18-K92 HydrophobicContact CB-CD 4.06Å; L18-K92 HydrophobicContact CD2-CB 4.16Å; L18-K92 HydrophobicContact CD2-CD 3.72Å; L18-K92 HydrophobicContact CG-CD 4.46Å; L18-K92 WeakPolarHBondContact O-CD 3.45Å; L18-K92 WeakPolarHBondContact O-CE 3.1Å; L18-K92 PolarHBondContact O-NZ 2.92Å; Y19-K92 HydrophobicContact CE1-CD 4.17Å; Y19-K92 HydrophobicContact CE1-CG 4.06Å; K92-Y138 PolarHBondContact N-O 3.09Å; K92-Y138 PolarHBondContact O-N 3.47Å; K92-E149 WeakPolarHBondContact CE-OE2 3.45Å; K92-E149 IonicContact NZ-OE1 2.78Å; K92-E149 IonicContact NZ-OE2 3.91Å; K92-E149 PolarHBondContact NZ-OE2 3.22Å; K92-D153 IonicContact NZ-OD2 3.89Å; K92-D153 PolarHBondContact NZ-OD2 3.16Å |
| 93 | I | 89.6 | Confident | 73 | Confident | 97 Ų | 97 | 72 Ų | 72 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133 | 178.6 | -58.2 | 171.4 | 0 | 0 | 0 | 106.7 | T91 F95 S136 I137 | T91-I93 HydrophobicContact CG2-CG1 4.45Å; I93-F95 HydrophobicContact CG2-CE2 3.92Å; I93-F95 HydrophobicContact CG2-CZ 4.32Å; I93-S136 CarbonylContact C-O 3.52Å; I93-S136 WeakPolarHBondContact CA-O 3.41Å; I93-I137 HydrophobicContact CG1-CG1 4.25Å |
| 94 | S | 86.9 | Confident | 70.7 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 24% | 0.238 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 150.1 | 172.3 | 74.7 | 0 | 0 | 0 | 0 | 109.9 | S136 Y138 | S94-S136 PolarHBondContact N-O 2.75Å; S94-S136 PolarHBondContact O-N 3.08Å; S94-Y138 WeakPolarHBondContact OG-CE2 3.44Å |
| 95 | F | 85.5 | Confident | 68.1 | Low | 117 Ų | 117 | 77.1 Ų | 77.1 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.7 | 170 | -62.9 | -99.7 | 0 | 0 | 0 | 106.2 | I93 D133 E135 | I93-F95 HydrophobicContact CG2-CE2 3.92Å; I93-F95 HydrophobicContact CG2-CZ 4.32Å; F95-D133 HydrophobicContact CB-CB 4.48Å; F95-D133 HydrophobicContact CD1-CB 4.41Å; F95-E135 HydrophobicContact CD1-CG 3.59Å; F95-E135 HydrophobicContact CE1-CB 4.42Å; F95-E135 HydrophobicContact CE1-CG 3.18Å; F95-E135 HydrophobicContact CZ-CG 3.98Å |
| 96 | D | 72.3 | Confident | 66 | Low | 67 Ų | 67 | 82.1 Ų | 82.1 | 36% | 0.358 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.5 | 174.8 | -171.4 | 6.2 | 0 | 0 | 0 | 108.9 | S98 V134 | D96-S98 PolarHBondContact O-N 2.96Å; D96-S98 VanDerWaalsContact OD1-CB 3.27Å; D96-S98 WeakPolarHBondContact OD1-CB 3.33Å; D96-S98 PolarHBondContact OD1-N 3.19Å; D96-S98 PolarHBondContact OD1-OG 3.04Å; D96-S98 WeakPolarHBondContact OD2-CB 3.48Å; D96-S98 PolarHBondContact OD2-OG 2.82Å; D96-V134 PolarHBondContact N-O 2.82Å; D96-V134 PolarHBondContact O-N 2.88Å |
| 97 | N | 63.6 | Low | 63.4 | Low | 110 Ų | 110 | 87.2 Ų | 87.2 | 59% | 0.588 | 48% | 0.482 | S | S | * | . | trans | -88.4 | 30.1 | 178.3 | -65.2 | 28.8 | 0 | 0 | 0 | 110.4 | V99 D133 | N97-V99 PolarHBondContact O-N 2.73Å; N97-D133 PolarHBondContact ND2-OD1 3.44Å; N97-D133 VanDerWaalsContact OD1-CG 3.3Å; N97-D133 PolarHBondContact OD1-OD1 2.78Å; N97-D133 VanDerWaalsContact OD1-OD1 3.04Å | ||
| 98 | S | 53.6 | Low | 61 | Low | 71 Ų | 71 | 91.1 Ų | 91.1 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | trans | -75 | 93.5 | -170.5 | 55 | 0 | 0 | 0 | 0 | 113.3 | D96 | D96-S98 PolarHBondContact O-N 2.96Å; D96-S98 VanDerWaalsContact OD1-CB 3.27Å; D96-S98 WeakPolarHBondContact OD1-CB 3.33Å; D96-S98 PolarHBondContact OD1-N 3.19Å; D96-S98 PolarHBondContact OD1-OG 3.04Å; D96-S98 WeakPolarHBondContact OD2-CB 3.48Å; D96-S98 PolarHBondContact OD2-OG 2.82Å | ||
| 99 | V | 46.6 | Very low | 58.5 | Low | 90 Ų | 90 | 95.1 Ų | 95.1 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | trans | 72.7 | 90.2 | 134.5 | -172.4 | 0 | 0 | 0 | 0 | 116.8 | N97 | N97-V99 PolarHBondContact O-N 2.73Š| ||
| 100 | S | 35 | Very low | 56.1 | Low | 80 Ų | 80 | 105.5 Ų | 105.5 | 56% | 0.559 | 57% | 0.572 | S | S | * | * | S | Bend | -77 | 97.8 | 127.3 | 64.8 | 0 | 0 | 0 | 0 | 108.5 | |||
| 101 | G | 32.9 | Very low | 53.7 | Low | 68 Ų | 68 | 110.2 Ų | 110.2 | 70% | 0.701 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 149 | 37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 102 | S | 37.8 | Very low | 51.3 | Low | 90 Ų | 90 | 113 Ų | 113 | 63% | 0.629 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -167.2 | 93 | 152.1 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | K104 | S102-K104 PolarHBondContact O-N 2.95Š|
| 103 | S | 30.8 | Very low | 49.1 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 89% | 0.888 | 66% | 0.664 | S | S | * | * | 39.6 | 75.5 | 129.7 | -43.6 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 104 | K | 38.4 | Very low | 47 | Very low | 196 Ų | 196 | 121.7 Ų | 121.7 | 85% | 0.852 | 68% | 0.681 | S | S | * | * | trans | -144.7 | 110.8 | 141.3 | -122.2 | 169.6 | -175.5 | 164.4 | 0 | 109.2 | S102 D106 | S102-K104 PolarHBondContact O-N 2.95Å; K104-D106 PolarHBondContact O-N 3.24Å | ||
| 105 | E | 33.5 | Very low | 44.9 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | trans | -56.9 | 97.1 | 175.7 | -63.8 | 171 | 133.8 | 0 | 0 | 109.8 | ||||
| 106 | D | 42.4 | Very low | 43.2 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | -128.2 | 106.7 | 157.7 | -91.7 | -37.7 | 0 | 0 | 0 | 109.1 | K104 S108 | K104-D106 PolarHBondContact O-N 3.24Å; D106-S108 PolarHBondContact O-N 3.28Å | ||
| 107 | K | 34.5 | Very low | 41.8 | Very low | 188 Ų | 188 | 131 Ų | 131 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | -63.7 | 93.1 | -175.4 | -65.5 | 163 | 178.8 | 168.2 | 0 | 110.4 | I109 | K107-I109 PolarHBondContact O-N 2.87Š| ||
| 108 | S | 39.4 | Very low | 41.1 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -91.3 | 94.6 | 164.7 | 158.1 | 0 | 0 | 0 | 0 | 109.7 | D106 W110 | D106-S108 PolarHBondContact O-N 3.28Å; S108-W110 PolarHBondContact O-N 3.02Å; S108-W110 VanDerWaalsContact O-N 3.15Å | ||
| 109 | I | 40.4 | Very low | 40.9 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -72.9 | 88.5 | 178.5 | -62.2 | 156.1 | 0 | 0 | 0 | 109 | K107 | K107-I109 PolarHBondContact O-N 2.87Š| ||
| 110 | W | 41.4 | Very low | 41.3 | Very low | 247 Ų | 247 | 140.9 Ų | 140.9 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | -124.9 | 10.6 | 172.7 | -97.5 | 62.2 | 0 | 0 | 0 | 114.3 | S108 S112 | S108-W110 PolarHBondContact O-N 3.02Å; S108-W110 VanDerWaalsContact O-N 3.15Å; W110-S112 PolarHBondContact O-N 2.96Å | ||
| 111 | S | 41.3 | Very low | 41.8 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -95.8 | 27 | 179.5 | 62.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 112 | S | 40.8 | Very low | 42.1 | Very low | 84 Ų | 84 | 149.5 Ų | 149.5 | 59% | 0.587 | 80% | 0.802 | S | S | * | * | trans | -137.5 | 62.2 | -171.3 | -55.1 | 0 | 0 | 0 | 0 | 114.6 | W110 | W110-S112 PolarHBondContact O-N 2.96Š| ||
| 113 | F | 44 | Very low | 42.5 | Very low | 190 Ų | 190 | 149.9 Ų | 149.9 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | trans | -135.7 | 12 | 159.4 | -95.2 | -76.8 | 0 | 0 | 0 | 115.6 | R115 | F113-R115 PolarHBondContact O-N 3.18Š| ||
| 114 | A | 45.2 | Very low | 43.2 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -86.1 | 94.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110 | G116 | A114-G116 PolarHBondContact O-N 3.09Š| ||
| 115 | R | 43.6 | Very low | 43.4 | Very low | 228 Ų | 228 | 146.6 Ų | 146.6 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -66.5 | 117 | 162.9 | -79.6 | -178.6 | -80.7 | -127 | -2 | 107.9 | F113 | F113-R115 PolarHBondContact O-N 3.18Š| ||
| 116 | G | 48.9 | Very low | 44 | Very low | 69 Ų | 69 | 142.3 Ų | 142.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -74.7 | -148.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A114 | A114-G116 PolarHBondContact O-N 3.09Š| ||
| 117 | P | 44 | Very low | 44.5 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | cis | -129.2 | 167.8 | -14.9 | 37.8 | -21.7 | 0 | 0 | 0 | 112.4 | ||||
| 118 | I | 49.7 | Very low | 45 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | 164.5 | 131.1 | 139.6 | -82 | 151.4 | 0 | 0 | 0 | 109.6 | ||||
| 119 | S | 49.6 | Very low | 45.6 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | 86.1 | 118.4 | 166.7 | 74.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 120 | K | 54.2 | Low | 46.3 | Very low | 201 Ų | 201 | 135 Ų | 135 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -86.3 | 176.1 | 169 | -65.5 | 177.2 | 178.2 | 176 | 0 | 109.3 | ||||
| 121 | P | 44.5 | Very low | 47.2 | Very low | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | cis | -133.4 | -170.5 | -40.1 | 32.9 | -13.1 | 0 | 0 | 0 | 111.8 | ||||
| 122 | K | 40.3 | Very low | 48 | Very low | 209 Ų | 209 | 129.3 Ų | 129.3 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | 96.3 | 75.3 | 151.1 | -146.2 | 179 | -168.3 | -179.9 | 0 | 117.6 | ||||
| 123 | A | 44.9 | Very low | 49.4 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | -150.9 | 136.1 | 148 | 0 | 0 | 0 | 0 | 0 | 109.2 | L125 | A123-L125 PolarHBondContact O-N 3.12Š| ||
| 124 | A | 46.1 | Very low | 51 | Low | 98 Ų | 98 | 123.1 Ų | 123.1 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | trans | -54.8 | 127.3 | -175 | 0 | 0 | 0 | 0 | 0 | 111.7 | S126 | A124-S126 PolarHBondContact O-N 3.3Š| ||
| 125 | L | 42.5 | Very low | 53.1 | Low | 156 Ų | 156 | 123.2 Ų | 123.2 | 82% | 0.817 | 70% | 0.704 | S | S | * | * | trans | -74.4 | 78.2 | 175.6 | -153.6 | 87.7 | 0 | 0 | 0 | 108.4 | A123 Q127 | A123-L125 PolarHBondContact O-N 3.12Å; L125-Q127 PolarHBondContact O-N 2.82Å | ||
| 126 | S | 46.8 | Very low | 55.3 | Low | 95 Ų | 95 | 112.7 Ų | 112.7 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | trans | -68.1 | 100.2 | 163 | 54.3 | 0 | 0 | 0 | 0 | 106.7 | A124 T128 | A124-S126 PolarHBondContact O-N 3.3Å; S126-T128 PolarHBondContact O-N 2.67Å | ||
| 127 | Q | 51.7 | Low | 57.4 | Low | 174 Ų | 174 | 110.1 Ų | 110.1 | 81% | 0.813 | 64% | 0.635 | S | S | * | * | trans | -60.3 | 91 | 163.9 | -71.3 | 176.9 | 15.9 | 0 | 0 | 107.2 | L125 A129 | L125-Q127 PolarHBondContact O-N 2.82Å; Q127-A129 PolarHBondContact O-N 3.36Å | ||
| 128 | T | 46.7 | Very low | 59.7 | Low | 118 Ų | 118 | 105 Ų | 105 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | trans | -67.1 | 90.1 | 162.4 | 51.3 | 0 | 0 | 0 | 0 | 105.5 | S126 S130 | S126-T128 PolarHBondContact O-N 2.67Å; T128-S130 PolarHBondContact O-N 3.19Å | ||
| 129 | A | 52 | Low | 61.8 | Low | 63 Ų | 63 | 97.8 Ų | 97.8 | 52% | 0.521 | 56% | 0.563 | S | S | . | * | trans | -62.6 | 90.5 | 165 | 0 | 0 | 0 | 0 | 0 | 106.4 | Q127 S131 | Q127-A129 PolarHBondContact O-N 3.36Å; A129-S131 VanDerWaalsContact C-N 3.31Å; A129-S131 PolarHBondContact O-N 3.48Å | ||
| 130 | S | 54.7 | Low | 63.9 | Low | 72 Ų | 72 | 92 Ų | 92 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | trans | -67.5 | 97.1 | 169.4 | 52.7 | 0 | 0 | 0 | 0 | 106.4 | T128 F132 | T128-S130 PolarHBondContact O-N 3.19Å; S130-F132 WeakPolarHBondContact O-CD2 3.5Å; S130-F132 PolarHBondContact O-N 3.26Å; S130-F132 VanDerWaalsContact O-N 3.12Å; S130-F132 WeakPolarHBondContact OG-CE2 3.31Å; S130-F132 WeakPolarHBondContact OG-CZ 3.36Å | ||
| 131 | S | 59.1 | Low | 65.7 | Low | 81 Ų | 81 | 82.5 Ų | 82.5 | 57% | 0.566 | 48% | 0.482 | S | S | * | . | trans | -62.7 | 108.7 | 164.3 | 55 | 0 | 0 | 0 | 0 | 106.8 | A129 | A129-S131 VanDerWaalsContact C-N 3.31Å; A129-S131 PolarHBondContact O-N 3.48Å | ||
| 132 | F | 58.7 | Low | 68 | Low | 163 Ų | 163 | 76.8 Ų | 76.8 | 72% | 0.715 | 45% | 0.445 | S | S | * | . | trans | -94.2 | 122.7 | 169.3 | -65.5 | -73.3 | 0 | 0 | 0 | 107.4 | S130 V134 | S130-F132 WeakPolarHBondContact O-CD2 3.5Å; S130-F132 PolarHBondContact O-N 3.26Å; S130-F132 VanDerWaalsContact O-N 3.12Å; S130-F132 WeakPolarHBondContact OG-CE2 3.31Å; S130-F132 WeakPolarHBondContact OG-CZ 3.36Å; F132-V134 PolarHBondContact O-N 2.76Å | ||
| 133 | D | 70 | Confident | 70.4 | Confident | 83 Ų | 83 | 68 Ų | 68 | 44% | 0.444 | 41% | 0.408 | S | S | . | . | trans | -60.5 | 124.2 | 171.3 | -63.2 | -15.2 | 0 | 0 | 0 | 108.1 | F95 N97 | F95-D133 HydrophobicContact CB-CB 4.48Å; F95-D133 HydrophobicContact CD1-CB 4.41Å; N97-D133 PolarHBondContact ND2-OD1 3.44Å; N97-D133 VanDerWaalsContact OD1-CG 3.3Å; N97-D133 PolarHBondContact OD1-OD1 2.78Å; N97-D133 VanDerWaalsContact OD1-OD1 3.04Å | ||
| 134 | V | 78.5 | Confident | 72.6 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 37% | 0.37 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 108.6 | 179.2 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | I62 D96 F132 S136 | I62-V134 HydrophobicContact CG2-CG1 3.41Å; I62-V134 VanDerWaalsContact CG2-CG1 3.41Å; D96-V134 PolarHBondContact N-O 2.82Å; D96-V134 PolarHBondContact O-N 2.88Å; F132-V134 PolarHBondContact O-N 2.76Å; V134-S136 PolarHBondContact O-N 2.84Å |
| 135 | E | 89 | Confident | 74.6 | Confident | 105 Ų | 105 | 66.3 Ų | 66.3 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 133.4 | 172.5 | -76.6 | 170.5 | -160.6 | 0 | 0 | 111.5 | I62 G63 F95 | I62-E135 CarbonylContact C-O 3.56Å; G63-E135 PolarHBondContact N-O 2.98Å; F95-E135 HydrophobicContact CD1-CG 3.59Å; F95-E135 HydrophobicContact CE1-CB 4.42Å; F95-E135 HydrophobicContact CE1-CG 3.18Å; F95-E135 HydrophobicContact CZ-CG 3.98Å |
| 136 | S | 90.2 | Very high | 76.8 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 5% | 0.049 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.4 | 172.2 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | G61 I93 S94 V134 | G61-S136 CarbonylContact O-C 3.55Å; G61-S136 WeakPolarHBondContact O-CA 3.23Å; I93-S136 CarbonylContact C-O 3.52Å; I93-S136 WeakPolarHBondContact CA-O 3.41Å; S94-S136 PolarHBondContact N-O 2.75Å; S94-S136 PolarHBondContact O-N 3.08Å; V134-S136 PolarHBondContact O-N 2.84Å |
| 137 | I | 92.2 | Very high | 78.6 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.5 | 175.9 | -164.1 | 173.4 | 0 | 0 | 0 | 110.2 | V60 G61 C66 A69 I70 T91 I93 L139 | V60-I137 WeakPolarHBondContact CA-O 3.19Å; G61-I137 PolarHBondContact N-O 3.03Å; G61-I137 PolarHBondContact O-N 3.02Å; C66-I137 HydrophobicContact CB-CB 4.46Å; C66-I137 HydrophobicContact CB-CG2 3.79Å; A69-I137 HydrophobicContact CB-CG2 3.97Å; I70-I137 HydrophobicContact CD1-CD1 3.92Å; I70-I137 HydrophobicContact CG1-CD1 3.76Å; T91-I137 HydrophobicContact CG2-CD1 4.09Å; T91-I137 HydrophobicContact CG2-CG1 4.06Å; I93-I137 HydrophobicContact CG1-CG1 4.25Å; I137-L139 HydrophobicContact CD1-CD1 4.3Å; I137-L139 HydrophobicContact CD1-CD2 3.89Å; I137-L139 HydrophobicContact CD1-CG 4.18Å; I137-L139 HydrophobicContact CG1-CD2 4.09Å; I137-L139 HydrophobicContact CG1-CG 4.06Å |
| 138 | Y | 92.5 | Very high | 79.7 | Confident | 12 Ų | 12 | 59 Ų | 59 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.3 | 177.7 | -57.1 | -97.3 | 0 | 0 | 0 | 108 | L15 L18 Y19 F59 V60 T91 K92 S94 | L15-Y138 HydrophobicContact CD2-CD1 3.66Å; L15-Y138 HydrophobicContact CD2-CE1 4.3Å; L18-Y138 HydrophobicContact CD1-CD1 3.62Å; L18-Y138 HydrophobicContact CD1-CD2 3.44Å; L18-Y138 VanDerWaalsContact CD1-CD2 3.44Å; L18-Y138 HydrophobicContact CD1-CE1 3.74Å; L18-Y138 HydrophobicContact CD1-CE2 3.58Å; L18-Y138 HydrophobicContact CD1-CG 3.46Å; L18-Y138 VanDerWaalsContact CD1-CG 3.46Å; Y19-Y138 PolarHBondContact OH-O 2.94Å; F59-Y138 WeakPolarHBondContact O-CA 3.36Å; V60-Y138 HydrophobicContact CB-CD1 4.47Å; V60-Y138 HydrophobicContact CG1-CD1 4.02Å; V60-Y138 HydrophobicContact CG1-CE1 3.73Å; V60-Y138 HydrophobicContact CG2-CD1 3.86Å; V60-Y138 HydrophobicContact CG2-CE1 4.17Å; T91-Y138 CarbonylContact C-O 3.58Å; T91-Y138 WeakPolarHBondContact CA-O 3.37Å; K92-Y138 PolarHBondContact N-O 3.09Å; K92-Y138 PolarHBondContact O-N 3.47Å; S94-Y138 WeakPolarHBondContact OG-CE2 3.44Å |
| 139 | L | 93.7 | Very high | 80.8 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 95.1 | -175.8 | -59.3 | 161.6 | 0 | 0 | 0 | 109.4 | V58 F59 A69 I70 V73 T91 I137 | V58-L139 WeakPolarHBondContact CA-O 3.49Å; F59-L139 HydrophobicContact CB-CB 4.33Å; F59-L139 PolarHBondContact N-O 2.73Å; F59-L139 PolarHBondContact O-N 2.84Å; A69-L139 VanDerWaalsContact C-CD1 3.47Å; A69-L139 HydrophobicContact CB-CD1 4Å; I70-L139 HydrophobicContact CG1-CD1 4.14Å; V73-L139 HydrophobicContact CB-CD1 4.28Å; V73-L139 HydrophobicContact CG2-CB 3.65Å; V73-L139 HydrophobicContact CG2-CD1 3.67Å; V73-L139 HydrophobicContact CG2-CG 4.24Å; T91-L139 HydrophobicContact CG2-CD2 3.58Å; T91-L139 VanDerWaalsContact OG1-CD2 3.31Å; T91-L139 WeakPolarHBondContact OG1-CD2 3.47Å; I137-L139 HydrophobicContact CD1-CD1 4.3Å; I137-L139 HydrophobicContact CD1-CD2 3.89Å; I137-L139 HydrophobicContact CD1-CG 4.18Å; I137-L139 HydrophobicContact CG1-CD2 4.09Å; I137-L139 HydrophobicContact CG1-CG 4.06Å |
| 140 | L | 93.7 | Very high | 80.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 127.6 | 172.9 | 175.7 | 63.2 | 0 | 0 | 0 | 109.9 | Y19 F21 L22 K56 V58 Q89 R90 L146 | Y19-L140 HydrophobicContact CD1-CD2 3.85Å; Y19-L140 HydrophobicContact CE1-CB 3.97Å; Y19-L140 HydrophobicContact CE1-CD2 3.98Å; Y19-L140 HydrophobicContact CE2-CB 4.15Å; Y19-L140 HydrophobicContact CG-CD2 4.21Å; F21-L140 HydrophobicContact CE2-CD2 3.94Å; F21-L140 HydrophobicContact CZ-CD2 3.52Å; L22-L140 HydrophobicContact CD1-CD1 4.26Å; L22-L140 HydrophobicContact CD1-CD2 4.45Å; L22-L140 HydrophobicContact CD2-CD1 4.3Å; L22-L140 HydrophobicContact CD2-CD2 4.33Å; K56-L140 HydrophobicContact CB-CD1 4.14Å; V58-L140 HydrophobicContact CG2-CB 3.88Å; V58-L140 HydrophobicContact CG2-CD1 3.5Å; V58-L140 HydrophobicContact CG2-CG 4.28Å; Q89-L140 CarbonylContact C-O 3.56Å; Q89-L140 VanDerWaalsContact CA-O 3.23Å; Q89-L140 WeakPolarHBondContact CA-O 3.44Å; R90-L140 HydrophobicContact CB-CB 4.33Å; R90-L140 HydrophobicContact CB-CD2 4.46Å; R90-L140 PolarHBondContact N-O 3.25Å; R90-L140 PolarHBondContact O-N 3.25Å; L140-L146 HydrophobicContact CD2-CD1 4.01Å; L140-L146 HydrophobicContact CD2-CD2 3.73Å; L140-L146 HydrophobicContact CG-CD1 4.34Å; L140-L146 HydrophobicContact CG-CD2 4.35Å |
| 141 | T | 93.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.4 | 173.9 | -53 | 0 | 0 | 0 | 0 | 108.3 | L49 K56 V57 L76 I87 H88 | L49-T141 HydrophobicContact CD1-CG2 4.28Å; K56-T141 CarbonylContact C-O 3.54Å; K56-T141 WeakPolarHBondContact CA-O 3.27Å; V57-T141 PolarHBondContact N-O 2.81Å; V57-T141 PolarHBondContact O-N 3.31Å; L76-T141 HydrophobicContact CD2-CG2 4.15Å; I87-T141 HydrophobicContact CG2-CG2 3.24Å; H88-T141 CarbonylContact O-C 3.55Å; H88-T141 WeakPolarHBondContact O-CA 3.32Å |
| 142 | S | 92.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.3 | -175.3 | 179.7 | 0 | 0 | 0 | 0 | 111 | R55 H88 D144 | R55-S142 WeakPolarHBondContact O-CA 3.46Å; H88-S142 PolarHBondContact N-O 3.25Å; H88-S142 PolarHBondContact O-N 3.06Å; S142-D144 VanDerWaalsContact C-N 3.34Å; S142-D144 WeakPolarHBondContact CB-O 3.28Å; S142-D144 PolarHBondContact OG-N 3.46Å; S142-D144 VanDerWaalsContact OG-N 3.08Å; S142-D144 PolarHBondContact OG-O 2.99Å |
| 143 | L | 91.1 | Very high | 79.6 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -82.9 | -16.7 | 169.1 | -64.3 | -174 | 0 | 0 | 0 | 112.7 | L49 R55 L80 V85 | L49-L143 HydrophobicContact CB-CD1 4.22Å; L49-L143 HydrophobicContact CB-CG 4.44Å; L49-L143 HydrophobicContact CD2-CG 4.35Å; L49-L143 WeakPolarHBondContact O-CD1 3.35Å; R55-L143 VanDerWaalsContact CZ-CB 3.43Å; R55-L143 VanDerWaalsContact NH1-CD1 3.33Å; R55-L143 PolarHBondContact O-N 3.14Å; L80-L143 HydrophobicContact CD1-CD2 4.39Å; V85-L143 HydrophobicContact CG1-CD2 3.5Å; V85-L143 VanDerWaalsContact CG1-CD2 3.5Å |
| 144 | D | 89.4 | Confident | 78.6 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 32% | 0.316 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -102.3 | 150 | 175.8 | -57.5 | -45.4 | 0 | 0 | 0 | 110.1 | R55 H88 S142 L146 | R55-D144 VanDerWaalsContact CB-OD2 3.24Å; R55-D144 WeakPolarHBondContact CB-OD2 3.45Å; R55-D144 WeakPolarHBondContact CG-OD2 3.36Å; R55-D144 IonicContact CZ-OD1 3.56Å; R55-D144 IonicContact CZ-OD2 3.46Å; R55-D144 IonicContact NE-OD1 3.41Å; R55-D144 PolarHBondContact NE-OD1 3.29Å; R55-D144 IonicContact NE-OD2 3.35Å; R55-D144 PolarHBondContact NE-OD2 3.26Å; R55-D144 IonicContact NH2-OD1 2.82Å; R55-D144 PolarHBondContact NH2-OD1 3.26Å; R55-D144 IonicContact NH2-OD2 2.72Å; H88-D144 PolarHBondContact CD2-O 3.02Å; S142-D144 VanDerWaalsContact C-N 3.34Å; S142-D144 WeakPolarHBondContact CB-O 3.28Å; S142-D144 PolarHBondContact OG-N 3.46Å; S142-D144 VanDerWaalsContact OG-N 3.08Å; S142-D144 PolarHBondContact OG-O 2.99Å; D144-L146 PolarHBondContact O-N 3.03Å |
| 145 | P | 89.2 | Confident | 77.3 | Confident | 101 Ų | 101 | 65.5 Ų | 65.5 | 66% | 0.656 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 134.9 | 174.8 | -27 | 35.3 | 0 | 0 | 0 | 111.9 | ||
| 146 | L | 87.7 | Confident | 75.2 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 137.2 | 174.3 | -63.3 | 176.6 | 0 | 0 | 0 | 108.9 | F21 H88 R90 L140 D144 E148 | F21-L146 HydrophobicContact CE2-CD2 3.74Å; F21-L146 HydrophobicContact CZ-CD2 4Å; H88-L146 HydrophobicContact CB-CD1 4.08Å; H88-L146 HydrophobicContact CB-CG 3.86Å; R90-L146 HydrophobicContact CB-CD1 3.78Å; L140-L146 HydrophobicContact CD2-CD1 4.01Å; L140-L146 HydrophobicContact CD2-CD2 3.73Å; L140-L146 HydrophobicContact CG-CD1 4.34Å; L140-L146 HydrophobicContact CG-CD2 4.35Å; D144-L146 PolarHBondContact O-N 3.03Å; L146-E148 PolarHBondContact O-N 3.04Å |
| 147 | P | 84.6 | Confident | 73.1 | Confident | 64 Ų | 64 | 67 Ų | 67 | 42% | 0.416 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 136 | 176.8 | 26.7 | -33.4 | 0 | 0 | 0 | 109.3 | F21 R90 E149 | F21-P147 HydrophobicContact CB-CG 4.05Å; F21-P147 HydrophobicContact CD1-CG 3.8Å; F21-P147 HydrophobicContact CD2-CG 3.93Å; F21-P147 HydrophobicContact CE1-CG 4.24Å; F21-P147 HydrophobicContact CE2-CG 4.34Å; F21-P147 HydrophobicContact CG-CG 3.64Å; F21-P147 HydrophobicContact CZ-CG 4.48Å; R90-P147 PolarHBondContact NH1-O 2.92Å; R90-P147 PolarHBondContact NH2-O 3.26Å; P147-E149 PolarHBondContact O-N 2.94Å |
| 148 | E | 75.6 | Confident | 71.2 | Confident | 182 Ų | 182 | 73.4 Ų | 73.4 | 85% | 0.85 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 120.8 | 171.5 | -67.5 | -173.4 | 165.6 | 0 | 0 | 108.1 | L146 | L146-E148 PolarHBondContact O-N 3.04Š|
| 149 | E | 69 | Low | 69.2 | Low | 63 Ų | 63 | 80.4 Ų | 80.4 | 29% | 0.294 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 134.4 | 170.5 | -100 | 171.1 | -138 | 0 | 0 | 106.9 | R90 K92 P147 T151 | R90-E149 IonicContact CZ-OE1 3.46Å; R90-E149 IonicContact NH1-OE1 2.78Å; R90-E149 PolarHBondContact NH1-OE1 3.27Å; R90-E149 IonicContact NH1-OE2 3.81Å; K92-E149 WeakPolarHBondContact CE-OE2 3.45Å; K92-E149 IonicContact NZ-OE1 2.78Å; K92-E149 IonicContact NZ-OE2 3.91Å; K92-E149 PolarHBondContact NZ-OE2 3.22Å; P147-E149 PolarHBondContact O-N 2.94Å; E149-T151 PolarHBondContact O-N 3.49Å; E149-T151 VanDerWaalsContact O-N 3.12Å |
| 150 | D | 51.7 | Low | 67 | Low | 162 Ų | 162 | 83 Ų | 83 | 87% | 0.866 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 121.3 | 173.3 | -72.7 | -34.6 | 0 | 0 | 0 | 108.7 | A152 | D150-A152 PolarHBondContact O-N 3.15Š|
| 151 | T | 45.5 | Very low | 64.6 | Low | 148 Ų | 148 | 88.3 Ų | 88.3 | 91% | 0.908 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -60.5 | 91.4 | -169.6 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | E149 | E149-T151 PolarHBondContact O-N 3.49Å; E149-T151 VanDerWaalsContact O-N 3.12Å |
| 152 | A | 49.9 | Very low | 62.3 | Low | 94 Ų | 94 | 92.9 Ų | 92.9 | 78% | 0.777 | 53% | 0.533 | S | S | * | . | trans | -130.6 | -13.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D150 | D150-A152 PolarHBondContact O-N 3.15Š| ||
| 153 | D | 53.8 | Low | 59.9 | Low | 102 Ų | 102 | 97 Ų | 97 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | trans | -106.5 | 103.9 | -177.9 | -132.3 | -6.9 | 0 | 0 | 0 | 109.9 | K92 S155 | K92-D153 IonicContact NZ-OD2 3.89Å; K92-D153 PolarHBondContact NZ-OD2 3.16Å; D153-S155 PolarHBondContact O-N 3.24Å | ||
| 154 | L | 47.9 | Very low | 57.6 | Low | 181 Ų | 181 | 100.5 Ų | 100.5 | 95% | 0.948 | 59% | 0.593 | S | S | * | * | trans | -70.7 | 15.5 | -175.6 | -69.2 | 171.3 | 0 | 0 | 0 | 114 | G156 | L154-G156 PolarHBondContact O-N 2.98Š| ||
| 155 | S | 50.3 | Low | 55 | Low | 27 Ų | 27 | 100.9 Ų | 100.9 | 19% | 0.189 | 61% | 0.611 | C | S | . | * | S | Bend | trans | -83.4 | 66.5 | 175.1 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | T91 D153 | T91-S155 VanDerWaalsContact O-CB 3.28Å; T91-S155 WeakPolarHBondContact O-CB 3.36Å; T91-S155 PolarHBondContact O-OG 2.89Å; D153-S155 PolarHBondContact O-N 3.24Å |
| 156 | G | 45.2 | Very low | 52.5 | Low | 46 Ų | 46 | 106.5 Ų | 106.5 | 47% | 0.474 | 63% | 0.626 | S | S | . | * | trans | 37 | 85.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | L154 H158 | L154-G156 PolarHBondContact O-N 2.98Å; G156-H158 PolarHBondContact O-N 2.82Å | ||
| 157 | V | 46.2 | Very low | 50.2 | Low | 97 Ų | 97 | 116.3 Ų | 116.3 | 59% | 0.588 | 66% | 0.661 | S | S | * | * | trans | -65.3 | 98 | 157.1 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | Q159 | V157-Q159 HydrophobicContact CG1-CG 4.18Å; V157-Q159 PolarHBondContact O-N 3.12Å | ||
| 158 | H | 51.9 | Low | 47.8 | Very low | 148 Ų | 148 | 121.3 Ų | 121.3 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | trans | -77.9 | 100.9 | 164.9 | -106.8 | -82.2 | 0 | 0 | 0 | 108.3 | G156 | G156-H158 PolarHBondContact O-N 2.82Š| ||
| 159 | Q | 51.8 | Low | 46.4 | Very low | 159 Ų | 159 | 118 Ų | 118 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | -61 | 145.6 | 171.6 | -72.3 | -179.7 | -8.4 | 0 | 0 | 110.9 | V157 | V157-Q159 HydrophobicContact CG1-CG 4.18Å; V157-Q159 PolarHBondContact O-N 3.12Å | ||
| 160 | S | 46.4 | Very low | 45 | Very low | 58 Ų | 58 | 121.7 Ų | 121.7 | 41% | 0.406 | 69% | 0.692 | S | S | . | * | trans | -36.5 | 132.4 | -172.1 | 54.4 | 0 | 0 | 0 | 0 | 116.1 | V162 | S160-V162 VanDerWaalsContact C-N 3.27Å; S160-V162 PolarHBondContact O-N 3.3Å; S160-V162 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 161 | V | 44.8 | Very low | 44.7 | Very low | 112 Ų | 112 | 118.6 Ų | 118.6 | 68% | 0.679 | 68% | 0.683 | S | S | * | * | trans | -69.9 | 90.8 | 155.6 | 177.4 | 0 | 0 | 0 | 0 | 107.2 | A163 | V161-A163 PolarHBondContact O-N 3.37Š| ||
| 162 | V | 43.6 | Very low | 44.5 | Very low | 96 Ų | 96 | 116.7 Ų | 116.7 | 58% | 0.582 | 68% | 0.676 | S | S | * | * | trans | -75.9 | 102 | 165.8 | -175.9 | 0 | 0 | 0 | 0 | 106.5 | S160 S164 | S160-V162 VanDerWaalsContact C-N 3.27Å; S160-V162 PolarHBondContact O-N 3.3Å; S160-V162 WeakPolarHBondContact OG-CG2 3.39Å; V162-S164 VanDerWaalsContact CG1-OG 3.23Å; V162-S164 WeakPolarHBondContact CG1-OG 2.97Å; V162-S164 PolarHBondContact O-N 3.37Å | ||
| 163 | A | 41.8 | Very low | 44.5 | Very low | 86 Ų | 86 | 123.5 Ų | 123.5 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | trans | -72.5 | 68.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V161 | V161-A163 PolarHBondContact O-N 3.37Š| ||
| 164 | S | 42.6 | Very low | 44.4 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | trans | -89.8 | 117 | 172.7 | -93.1 | 0 | 0 | 0 | 0 | 110.1 | V162 | V162-S164 VanDerWaalsContact CG1-OG 3.23Å; V162-S164 WeakPolarHBondContact CG1-OG 2.97Å; V162-S164 PolarHBondContact O-N 3.37Å | ||
| 165 | G | 35.7 | Very low | 44.7 | Very low | 67 Ų | 67 | 124.5 Ų | 124.5 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | trans | 80 | 104.1 | 139.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | R167 | G165-R167 PolarHBondContact O-N 3.34Å; G165-R167 VanDerWaalsContact O-N 3.09Å | ||
| 166 | K | 36.6 | Very low | 44.9 | Very low | 220 Ų | 220 | 131.7 Ų | 131.7 | 96% | 0.957 | 72% | 0.715 | S | S | * | * | trans | 6.7 | 91.8 | 143.2 | -64.6 | 176.4 | 178.7 | 177.9 | 0 | 114.9 | ||||
| 167 | R | 38.6 | Very low | 45.6 | Very low | 231 Ų | 231 | 135.7 Ų | 135.7 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | trans | -104.1 | 90.4 | 160.9 | -127 | 176.3 | -178.8 | 174.3 | -0.1 | 108.7 | G165 V169 | G165-R167 PolarHBondContact O-N 3.34Å; G165-R167 VanDerWaalsContact O-N 3.09Å; R167-V169 HydrophobicContact CB-CG2 4.44Å; R167-V169 HydrophobicContact CG-CG2 4.33Å; R167-V169 PolarHBondContact O-N 3.27Å | ||
| 168 | Q | 35.9 | Very low | 46.2 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -65.9 | 102.6 | 164.5 | -172.4 | -177.4 | -24.6 | 0 | 0 | 107.1 | ||||
| 169 | V | 46.1 | Very low | 46.5 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 67% | 0.673 | 74% | 0.744 | S | S | * | * | trans | -115.9 | 97.3 | 171.2 | -174.5 | 0 | 0 | 0 | 0 | 107.1 | R167 S171 | R167-V169 HydrophobicContact CB-CG2 4.44Å; R167-V169 HydrophobicContact CG-CG2 4.33Å; R167-V169 PolarHBondContact O-N 3.27Å; V169-S171 PolarHBondContact O-N 3.18Å | ||
| 170 | N | 37.6 | Very low | 47.2 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | -62.4 | 112.5 | 163.1 | -72.8 | -16.9 | 0 | 0 | 0 | 107.7 | ||||
| 171 | S | 45.9 | Very low | 47.9 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | -138.9 | 93.5 | 163.9 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | V169 | V169-S171 PolarHBondContact O-N 3.18Š| ||
| 172 | S | 42.6 | Very low | 48.6 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -81.3 | 140.9 | 165.1 | 25.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 173 | R | 48 | Very low | 49.2 | Very low | 237 Ų | 237 | 144.7 Ų | 144.7 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | 66.5 | 107.2 | 177.6 | -78.1 | 174.9 | 161.2 | -163.5 | -4.7 | 115.8 | ||||
| 174 | L | 52.5 | Low | 49.9 | Very low | 149 Ų | 149 | 152 Ų | 152 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -164.8 | 100.7 | 137.8 | -97.6 | 163.3 | 0 | 0 | 0 | 107.2 | ||||
| 175 | M | 55 | Low | 50.6 | Low | 154 Ų | 154 | 152.6 Ų | 152.6 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | 90.4 | 97 | 117.5 | -73.2 | -80.8 | -168.3 | 0 | 0 | 115.3 | |||||
| 176 | E | 53.4 | Low | 51.5 | Low | 178 Ų | 178 | 158.9 Ų | 158.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 26.1 | 122.9 | 132.8 | -62.7 | 177.8 | 165.8 | 0 | 0 | 119 | ||||
| 177 | T | 60.6 | Low | 52.6 | Low | 131 Ų | 131 | 157 Ų | 157 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 132.6 | 174.9 | 47.6 | 0 | 0 | 0 | 0 | 113 | A179 | T177-A179 PolarHBondContact O-N 3.11Š|
| 178 | P | 58.5 | Low | 53.4 | Low | 125 Ų | 125 | 152.4 Ų | 152.4 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 120.3 | 161.4 | 28.3 | -30.2 | 0 | 0 | 0 | 109 | N180 | P178-N180 PolarHBondContact O-N 3.43Š|
| 179 | A | 58.8 | Low | 54.3 | Low | 92 Ų | 92 | 150 Ų | 150 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 126.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T177 P181 | T177-A179 PolarHBondContact O-N 3.11Å; A179-P181 VanDerWaalsContact O-CD 3.28Å; A179-P181 WeakPolarHBondContact O-CD 3.28Å |
| 180 | N | 65.6 | Low | 55.1 | Low | 114 Ų | 114 | 149.2 Ų | 149.2 | 61% | 0.61 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 116.6 | 178.4 | -174.8 | -9.9 | 0 | 0 | 0 | 110.3 | P178 W182 | P178-N180 PolarHBondContact O-N 3.43Å; N180-W182 PolarHBondContact O-N 3.38Å; N180-W182 VanDerWaalsContact O-N 3.11Å; N180-W182 VanDerWaalsContact OD1-CD1 3.27Å; N180-W182 PolarHBondContact OD1-N 3.04Å |
| 181 | P | 62.5 | Low | 56.3 | Low | 111 Ų | 111 | 152.3 Ų | 152.3 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 5.9 | -172.7 | 25.6 | -28.8 | 0 | 0 | 0 | 115.2 | A179 | A179-P181 VanDerWaalsContact O-CD 3.28Å; A179-P181 WeakPolarHBondContact O-CD 3.28Å |
| 182 | W | 59.4 | Low | 56.8 | Low | 224 Ų | 224 | 155.1 Ų | 155.1 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 0 | -169.5 | -63.2 | 67.4 | 0 | 0 | 0 | 114.8 | N180 R184 | N180-W182 PolarHBondContact O-N 3.38Å; N180-W182 VanDerWaalsContact O-N 3.11Å; N180-W182 VanDerWaalsContact OD1-CD1 3.27Å; N180-W182 PolarHBondContact OD1-N 3.04Å; W182-R184 PolarHBondContact O-N 2.82Å |
| 183 | K | 56.2 | Low | 57.6 | Low | 193 Ų | 193 | 157.5 Ų | 157.5 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | trans | -88 | 72.2 | 171.9 | -74.1 | -165.4 | 177.1 | -173.2 | 0 | 111.1 | ||||
| 184 | R | 55.1 | Low | 58.1 | Low | 238 Ų | 238 | 153.1 Ų | 153.1 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -88.2 | 111.4 | 167.3 | -153.9 | 179.9 | -76.7 | -165.9 | -1.7 | 109.4 | W182 | W182-R184 PolarHBondContact O-N 2.82Š| ||
| 185 | V | 57.9 | Low | 58.5 | Low | 113 Ų | 113 | 153.3 Ų | 153.3 | 69% | 0.685 | 83% | 0.826 | S | S | * | * | trans | -50.4 | 126.4 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | Q187 | V185-Q187 HydrophobicContact CG1-CB 4.24Å; V185-Q187 HydrophobicContact CG1-CG 3.75Å | ||
| 186 | K | 54.9 | Low | 58.7 | Low | 198 Ų | 198 | 153.3 Ų | 153.3 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | trans | -106.1 | 95.9 | 151.1 | -86 | -174 | 175.4 | -177.7 | 0 | 107 | T188 | K186-T188 PolarHBondContact O-N 2.91Š| ||
| 187 | Q | 58.6 | Low | 59 | Low | 181 Ų | 181 | 151.6 Ų | 151.6 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -70.5 | 114.8 | 160.7 | -89.7 | 175.9 | -30.2 | 0 | 0 | 107.2 | V185 | V185-Q187 HydrophobicContact CG1-CB 4.24Å; V185-Q187 HydrophobicContact CG1-CG 3.75Å | ||
| 188 | T | 57.2 | Low | 58.9 | Low | 135 Ų | 135 | 153.1 Ų | 153.1 | 83% | 0.828 | 83% | 0.833 | S | S | * | * | trans | -97.5 | 109.2 | 163.9 | 45.5 | 0 | 0 | 0 | 0 | 107.7 | K186 | K186-T188 PolarHBondContact O-N 2.91Š| ||
| 189 | S | 53.8 | Low | 58.9 | Low | 119 Ų | 119 | 155.2 Ų | 155.2 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | trans | -76.4 | 137.8 | 160.9 | 49.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 190 | A | 63.2 | Low | 59 | Low | 95 Ų | 95 | 160.5 Ų | 160.5 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | trans | -156.4 | 154.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 191 | P | 63 | Low | 58.3 | Low | 205 Ų | 205 | 164.7 Ų | 164.7 | 100% | 1.331 | 86% | 0.861 | S | S | * | * | cis | -89.9 | 0 | -20.7 | 36.3 | -31.7 | 0 | 0 | 0 | 113.6 |
Retrieved 191 of 191 residues in 107.6 ms
(Link to these results)