| 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 | 34.4 | Very low | 51.1 | Low | 244 Ų | 244 | 159.3 Ų | 159.3 | 100% | 1.202 | 75% | 0.746 | S | S | * | * | 0 | 114.6 | 0 | -75.5 | -160.7 | -130 | 0 | 0 | 107 | |||||
| 2 | I | 39 | Very low | 52.7 | Low | 162 Ų | 162 | 157.2 Ų | 157.2 | 83% | 0.831 | 74% | 0.744 | S | S | * | * | trans | -82.6 | 123.7 | -179.7 | -64.3 | 169.6 | 0 | 0 | 0 | 106.7 | L4 | I2-L4 PolarHBondContact O-N 3.42Š| ||
| 3 | E | 37.2 | Very low | 54.6 | Low | 180 Ų | 180 | 154.2 Ų | 154.2 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | -56.2 | 109.3 | 177.6 | -69 | 177.8 | 147 | 0 | 0 | 109.7 | E5 | E3-E5 PolarHBondContact O-N 3.08Š| ||
| 4 | L | 45.3 | Very low | 56.3 | Low | 140 Ų | 140 | 149.6 Ų | 149.6 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | trans | -68.1 | 88.4 | 163.6 | -95.9 | 87.9 | 0 | 0 | 0 | 107.4 | I2 R6 | I2-L4 PolarHBondContact O-N 3.42Å; L4-R6 PolarHBondContact O-N 2.92Å | ||
| 5 | E | 43.8 | Very low | 57.7 | Low | 157 Ų | 157 | 140.5 Ų | 140.5 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | trans | -50.2 | 123.6 | 160.8 | -80.4 | -171.9 | 147.3 | 0 | 0 | 108.2 | E3 R7 | E3-E5 PolarHBondContact O-N 3.08Å; E5-R7 PolarHBondContact O-N 2.58Å | ||
| 6 | R | 44.1 | Very low | 59.1 | Low | 252 Ų | 252 | 141.3 Ų | 141.3 | 95% | 0.951 | 67% | 0.669 | S | S | * | * | trans | -59.8 | 81.3 | 178.7 | -68.1 | 177.8 | 179.9 | 161.1 | 0.5 | 110.6 | L4 K8 | L4-R6 PolarHBondContact O-N 2.92Å; R6-K8 PolarHBondContact O-N 3.37Å | ||
| 7 | R | 54.8 | Low | 60.3 | Low | 203 Ų | 203 | 138.1 Ų | 138.1 | 77% | 0.766 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 130.8 | 168.4 | -72.8 | -175.6 | 173.3 | 176.1 | -0.1 | 107.9 | E5 | E5-R7 PolarHBondContact O-N 2.58Š|
| 8 | K | 62.5 | Low | 61.3 | Low | 189 Ų | 189 | 137.4 Ų | 137.4 | 82% | 0.822 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 132.6 | 171.4 | -82.3 | 178.4 | 176.5 | 175.3 | 0 | 108.4 | R6 F10 | R6-K8 PolarHBondContact O-N 3.37Å; K8-F10 PolarHBondContact O-N 3.05Å |
| 9 | P | 63.1 | Low | 62.3 | Low | 93 Ų | 93 | 132.2 Ų | 132.2 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 139.2 | 176.6 | 24.5 | -32.5 | 0 | 0 | 0 | 109.5 | ||
| 10 | F | 65.9 | Low | 63.2 | Low | 48 Ų | 48 | 130.2 Ų | 130.2 | 21% | 0.211 | 62% | 0.624 | C | S | . | * | P | Polyproline II helix | trans | -70.3 | 140.1 | 174.3 | -73.3 | -78.6 | 0 | 0 | 0 | 109.3 | K8 Q14 I15 F30 S34 | K8-F10 PolarHBondContact O-N 3.05Å; F10-Q14 HydrophobicContact CB-CB 4.13Å; F10-Q14 HydrophobicContact CD1-CB 3.81Å; F10-Q14 HydrophobicContact CG-CB 4.42Å; F10-I15 HydrophobicContact CB-CD1 4.21Å; F10-I15 HydrophobicContact CB-CG1 3.59Å; F10-F30 HydrophobicContact CD2-CZ 4.48Å; F10-F30 HydrophobicContact CE2-CE2 4.42Å; F10-S34 PolarHBondContact N-O 3.22Å |
| 11 | T | 71.6 | Confident | 64.2 | Low | 84 Ų | 84 | 132.2 Ų | 132.2 | 52% | 0.515 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -69 | 151.6 | 167.1 | 49.4 | 0 | 0 | 0 | 0 | 110 | L13 Q14 I15 | T11-L13 PolarHBondContact O-N 3.44Å; T11-Q14 WeakPolarHBondContact O-CA 3.3Å; T11-Q14 WeakPolarHBondContact O-CB 3.25Å; T11-Q14 PolarHBondContact O-N 2.97Å; T11-Q14 VanDerWaalsContact OG1-CG 3.24Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.35Å; T11-Q14 PolarHBondContact OG1-OE1 3.19Å; T11-I15 PolarHBondContact O-N 3.13Å |
| 12 | D | 70.8 | Confident | 66.3 | Low | 134 Ų | 134 | 123 Ų | 123 | 72% | 0.717 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -49.5 | -37.7 | 179 | -62.3 | -4.5 | 0 | 0 | 0 | 112.9 | I15 K16 | D12-I15 PolarHBondContact O-N 3.33Å; D12-K16 WeakPolarHBondContact O-CB 3.37Å; D12-K16 PolarHBondContact O-N 3.47Å |
| 13 | L | 76.8 | Confident | 68.1 | Low | 118 Ų | 118 | 118.6 Ų | 118.6 | 62% | 0.618 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.7 | -39.1 | 176.5 | -172 | 63.6 | 0 | 0 | 0 | 112.4 | T11 N17 | T11-L13 PolarHBondContact O-N 3.44Å; L13-N17 VanDerWaalsContact O-CB 3.26Å; L13-N17 WeakPolarHBondContact O-CB 3.37Å; L13-N17 VanDerWaalsContact O-CG 3.23Å; L13-N17 PolarHBondContact O-N 2.83Å; L13-N17 PolarHBondContact O-ND2 2.87Å |
| 14 | Q | 79.3 | Confident | 69.7 | Low | 90 Ų | 90 | 114.4 Ų | 114.4 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.6 | -37.6 | 176.2 | -69.3 | 168.5 | -32.4 | 0 | 0 | 111.8 | F10 T11 R18 | F10-Q14 HydrophobicContact CB-CB 4.13Å; F10-Q14 HydrophobicContact CD1-CB 3.81Å; F10-Q14 HydrophobicContact CG-CB 4.42Å; T11-Q14 WeakPolarHBondContact O-CA 3.3Å; T11-Q14 WeakPolarHBondContact O-CB 3.25Å; T11-Q14 PolarHBondContact O-N 2.97Å; T11-Q14 VanDerWaalsContact OG1-CG 3.24Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.35Å; T11-Q14 PolarHBondContact OG1-OE1 3.19Å; Q14-R18 WeakPolarHBondContact O-CB 3.35Å; Q14-R18 WeakPolarHBondContact O-CG 3.41Å; Q14-R18 PolarHBondContact O-N 3.19Å; Q14-R18 VanDerWaalsContact O-N 3.1Å |
| 15 | I | 77.8 | Confident | 70.8 | Confident | 14 Ų | 14 | 116.3 Ų | 116.3 | 7% | 0.072 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -62.8 | -52.4 | 175 | -62.8 | 175.8 | 0 | 0 | 0 | 109.4 | F10 T11 D12 N17 R18 L19 F30 L31 L38 | F10-I15 HydrophobicContact CB-CD1 4.21Å; F10-I15 HydrophobicContact CB-CG1 3.59Å; T11-I15 PolarHBondContact O-N 3.13Å; D12-I15 PolarHBondContact O-N 3.33Å; I15-N17 PolarHBondContact O-N 3.36Å; I15-R18 PolarHBondContact O-N 3.29Å; I15-R18 VanDerWaalsContact O-N 3.15Å; I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.16Å; I15-L19 WeakPolarHBondContact O-CB 3.35Å; I15-L19 WeakPolarHBondContact O-CG 3.12Å; I15-L19 PolarHBondContact O-N 2.92Å; I15-F30 HydrophobicContact CG2-CE1 4.21Å; I15-L31 HydrophobicContact CG2-CD2 4.24Å; I15-L38 HydrophobicContact CD1-CD1 4.16Å |
| 16 | K | 79.1 | Confident | 72.2 | Confident | 152 Ų | 152 | 113.7 Ų | 113.7 | 66% | 0.661 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.4 | -45.1 | 179.8 | -169.8 | 176.8 | -178.7 | 179.7 | 0 | 112.5 | D12 R18 L19 S20 | D12-K16 WeakPolarHBondContact O-CB 3.37Å; D12-K16 PolarHBondContact O-N 3.47Å; K16-R18 VanDerWaalsContact C-N 3.28Å; K16-R18 PolarHBondContact O-N 3.44Å; K16-L19 PolarHBondContact O-N 3.37Å; K16-S20 PolarHBondContact O-N 2.85Å; K16-S20 VanDerWaalsContact O-N 3.14Å; K16-S20 PolarHBondContact O-OG 3.5Å |
| 17 | N | 80.5 | Confident | 73.6 | Confident | 87 Ų | 87 | 104.4 Ų | 104.4 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -31.5 | 178.7 | -79 | -17.2 | 0 | 0 | 0 | 113 | L13 I15 S20 | L13-N17 VanDerWaalsContact O-CB 3.26Å; L13-N17 WeakPolarHBondContact O-CB 3.37Å; L13-N17 VanDerWaalsContact O-CG 3.23Å; L13-N17 PolarHBondContact O-N 2.83Å; L13-N17 PolarHBondContact O-ND2 2.87Å; I15-N17 PolarHBondContact O-N 3.36Å; N17-S20 PolarHBondContact O-OG 3.03Å |
| 18 | R | 77.6 | Confident | 74.1 | Confident | 126 Ų | 126 | 100.1 Ų | 100.1 | 48% | 0.475 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -82.4 | -41.9 | 177.1 | -76.1 | -173 | 175 | -165.4 | 1.4 | 112.7 | Q14 I15 K16 S20 K21 F30 | Q14-R18 WeakPolarHBondContact O-CB 3.35Å; Q14-R18 WeakPolarHBondContact O-CG 3.41Å; Q14-R18 PolarHBondContact O-N 3.19Å; Q14-R18 VanDerWaalsContact O-N 3.1Å; I15-R18 PolarHBondContact O-N 3.29Å; I15-R18 VanDerWaalsContact O-N 3.15Å; K16-R18 VanDerWaalsContact C-N 3.28Å; K16-R18 PolarHBondContact O-N 3.44Å; R18-S20 VanDerWaalsContact C-N 3.27Å; R18-S20 PolarHBondContact O-N 3.31Å; R18-K21 PolarHBondContact O-N 3.14Å; R18-F30 HydrophobicContact CB-CE1 3.82Å; R18-F30 HydrophobicContact CB-CE2 4.11Å; R18-F30 HydrophobicContact CB-CZ 3.6Å; R18-F30 VanDerWaalsContact CD-CE2 3.49Å; R18-F30 VanDerWaalsContact CD-CZ 3.46Å; R18-F30 HydrophobicContact CG-CE2 4.46Å; R18-F30 HydrophobicContact CG-CZ 4.16Å |
| 19 | L | 80.7 | Confident | 74.3 | Confident | 38 Ų | 38 | 96.4 Ų | 96.4 | 20% | 0.199 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -56.6 | -41.4 | 175.9 | -76.3 | 173.2 | 0 | 0 | 0 | 112.1 | I15 K16 K21 L22 Q27 F30 L31 | I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.16Å; I15-L19 WeakPolarHBondContact O-CB 3.35Å; I15-L19 WeakPolarHBondContact O-CG 3.12Å; I15-L19 PolarHBondContact O-N 2.92Å; K16-L19 PolarHBondContact O-N 3.37Å; L19-K21 PolarHBondContact O-N 3.06Å; L19-L22 PolarHBondContact O-N 2.89Å; L19-Q27 HydrophobicContact CD2-CB 3.69Å; L19-Q27 HydrophobicContact CD2-CG 3.83Å; L19-Q27 PolarHBondContact O-NE2 3.3Å; L19-F30 HydrophobicContact CD2-CD1 3.94Å; L19-F30 HydrophobicContact CG-CD1 4.18Å; L19-F30 HydrophobicContact CG-CE1 4.38Å; L19-L31 HydrophobicContact CD1-CD2 4.29Å; L19-L31 HydrophobicContact CD2-CD1 4.18Å; L19-L31 HydrophobicContact CD2-CD2 4.35Å; L19-L31 HydrophobicContact CD2-CG 4.08Å |
| 20 | S | 80.1 | Confident | 74.6 | Confident | 92 Ų | 92 | 93.6 Ų | 93.6 | 64% | 0.643 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.3 | 178.7 | 68.8 | 0 | 0 | 0 | 0 | 114.8 | K16 N17 R18 | K16-S20 PolarHBondContact O-N 2.85Å; K16-S20 VanDerWaalsContact O-N 3.14Å; K16-S20 PolarHBondContact O-OG 3.5Å; N17-S20 PolarHBondContact O-OG 3.03Å; R18-S20 VanDerWaalsContact C-N 3.27Å; R18-S20 PolarHBondContact O-N 3.31Å |
| 21 | K | 83.5 | Confident | 74.6 | Confident | 174 Ų | 174 | 93.2 Ų | 93.2 | 76% | 0.757 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -7.1 | -177.4 | -62.1 | -179.5 | -176.9 | -174.9 | 0 | 113.2 | R18 L19 | R18-K21 PolarHBondContact O-N 3.14Å; L19-K21 PolarHBondContact O-N 3.06Å |
| 22 | L | 79.6 | Confident | 74.1 | Confident | 51 Ų | 51 | 95.4 Ų | 95.4 | 27% | 0.267 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -103.2 | 139.8 | -175.5 | -71.1 | 170.3 | 0 | 0 | 0 | 111 | L19 E26 Q27 F30 | L19-L22 PolarHBondContact O-N 2.89Å; L22-E26 HydrophobicContact CB-CB 4.34Å; L22-E26 HydrophobicContact CD2-CB 4.27Å; L22-Q27 HydrophobicContact CB-CG 3.87Å; L22-Q27 PolarHBondContact O-NE2 3.4Å; L22-F30 HydrophobicContact CD1-CB 3.59Å; L22-F30 HydrophobicContact CD1-CD1 4.36Å; L22-F30 HydrophobicContact CD1-CD2 4.35Å; L22-F30 HydrophobicContact CD1-CG 3.84Å |
| 23 | P | 75.7 | Confident | 73.4 | Confident | 69 Ų | 69 | 91.5 Ų | 91.5 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | trans | -53.2 | 146.8 | 165.1 | -21 | 30.6 | 0 | 0 | 0 | 111.3 | F25 E26 Q27 | P23-F25 PolarHBondContact O-N 3.39Å; P23-E26 HydrophobicContact CB-CG 4.39Å; P23-E26 WeakPolarHBondContact CD-OE2 3.44Å; P23-E26 HydrophobicContact CG-CG 4.33Å; P23-E26 WeakPolarHBondContact O-CA 3.23Å; P23-E26 PolarHBondContact O-N 3.05Å; P23-Q27 PolarHBondContact O-N 2.97Å; P23-Q27 VanDerWaalsContact O-N 3.07Å | ||
| 24 | V | 72 | Confident | 72.5 | Confident | 91 Ų | 91 | 86.1 Ų | 86.1 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -50.5 | -39.1 | -176 | 177.2 | 0 | 0 | 0 | 0 | 112.6 | E26 Q27 F28 | V24-E26 VanDerWaalsContact C-N 3.34Å; V24-E26 PolarHBondContact O-N 3.31Å; V24-Q27 PolarHBondContact O-N 3.45Å; V24-F28 HydrophobicContact CG1-CE2 4.42Å; V24-F28 VanDerWaalsContact O-CD2 3.28Å; V24-F28 WeakPolarHBondContact O-CD2 3.21Å |
| 25 | F | 67.2 | Low | 71.4 | Confident | 181 Ų | 181 | 84 Ų | 84 | 79% | 0.794 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.9 | -29.9 | 179 | -59.8 | -74.3 | 0 | 0 | 0 | 113.5 | P23 | P23-F25 PolarHBondContact O-N 3.39Å |
| 26 | E | 72.6 | Confident | 70.2 | Confident | 101 Ų | 101 | 89.2 Ų | 89.2 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -88.1 | -17.4 | 179.8 | -62.7 | -179.1 | -171.4 | 0 | 0 | 112.6 | L22 P23 V24 F28 D29 F30 | L22-E26 HydrophobicContact CB-CB 4.34Å; L22-E26 HydrophobicContact CD2-CB 4.27Å; P23-E26 HydrophobicContact CB-CG 4.39Å; P23-E26 WeakPolarHBondContact CD-OE2 3.44Å; P23-E26 HydrophobicContact CG-CG 4.33Å; P23-E26 WeakPolarHBondContact O-CA 3.23Å; P23-E26 PolarHBondContact O-N 3.05Å; V24-E26 VanDerWaalsContact C-N 3.34Å; V24-E26 PolarHBondContact O-N 3.31Å; E26-F28 PolarHBondContact O-N 3.13Å; E26-D29 PolarHBondContact O-N 3.11Å; E26-F30 PolarHBondContact O-N 3.06Å; E26-F30 VanDerWaalsContact O-N 3.14Å |
| 27 | Q | 75.2 | Confident | 68.9 | Low | 58 Ų | 58 | 88.2 Ų | 88.2 | 27% | 0.271 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 173.7 | -70.2 | 175.4 | 19.1 | 0 | 0 | 111.5 | L19 L22 P23 V24 F30 L31 | L19-Q27 HydrophobicContact CD2-CB 3.69Å; L19-Q27 HydrophobicContact CD2-CG 3.83Å; L19-Q27 PolarHBondContact O-NE2 3.3Å; L22-Q27 HydrophobicContact CB-CG 3.87Å; L22-Q27 PolarHBondContact O-NE2 3.4Å; P23-Q27 PolarHBondContact O-N 2.97Å; P23-Q27 VanDerWaalsContact O-N 3.07Å; V24-Q27 PolarHBondContact O-N 3.45Å; Q27-F30 PolarHBondContact O-N 2.97Å; Q27-L31 WeakPolarHBondContact O-CG 3.48Å; Q27-L31 PolarHBondContact O-N 3.34Å |
| 28 | F | 63.9 | Low | 67.7 | Low | 113 Ų | 113 | 86.2 Ų | 86.2 | 50% | 0.496 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 178 | -74.5 | -80.7 | 0 | 0 | 0 | 112.6 | V24 E26 F30 L31 R32 | V24-F28 HydrophobicContact CG1-CE2 4.42Å; V24-F28 VanDerWaalsContact O-CD2 3.28Å; V24-F28 WeakPolarHBondContact O-CD2 3.21Å; E26-F28 PolarHBondContact O-N 3.13Å; F28-F30 VanDerWaalsContact C-N 3.33Å; F28-L31 PolarHBondContact O-N 3.23Å; F28-R32 PolarHBondContact O-N 3.36Å |
| 29 | D | 66.7 | Low | 66.5 | Low | 111 Ų | 111 | 83.3 Ų | 83.3 | 59% | 0.594 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.7 | -34.4 | 177.2 | -70.8 | -24.3 | 0 | 0 | 0 | 111.7 | E26 R32 | E26-D29 PolarHBondContact O-N 3.11Å; D29-R32 PolarHBondContact O-N 3.07Å |
| 30 | F | 70.6 | Confident | 65.4 | Low | 34 Ų | 34 | 88.3 Ų | 88.3 | 15% | 0.149 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 174.9 | 177.3 | -105.7 | 0 | 0 | 0 | 112.6 | F10 I15 R18 L19 L22 E26 Q27 F28 R32 G33 S34 | F10-F30 HydrophobicContact CD2-CZ 4.48Å; F10-F30 HydrophobicContact CE2-CE2 4.42Å; I15-F30 HydrophobicContact CG2-CE1 4.21Å; R18-F30 HydrophobicContact CB-CE1 3.82Å; R18-F30 HydrophobicContact CB-CE2 4.11Å; R18-F30 HydrophobicContact CB-CZ 3.6Å; R18-F30 VanDerWaalsContact CD-CE2 3.49Å; R18-F30 VanDerWaalsContact CD-CZ 3.46Å; R18-F30 HydrophobicContact CG-CE2 4.46Å; R18-F30 HydrophobicContact CG-CZ 4.16Å; L19-F30 HydrophobicContact CD2-CD1 3.94Å; L19-F30 HydrophobicContact CG-CD1 4.18Å; L19-F30 HydrophobicContact CG-CE1 4.38Å; L22-F30 HydrophobicContact CD1-CB 3.59Å; L22-F30 HydrophobicContact CD1-CD1 4.36Å; L22-F30 HydrophobicContact CD1-CD2 4.35Å; L22-F30 HydrophobicContact CD1-CG 3.84Å; E26-F30 PolarHBondContact O-N 3.06Å; E26-F30 VanDerWaalsContact O-N 3.14Å; Q27-F30 PolarHBondContact O-N 2.97Å; F28-F30 VanDerWaalsContact C-N 3.33Å; F30-R32 VanDerWaalsContact C-N 3.31Å; F30-R32 PolarHBondContact O-N 3.11Å; F30-G33 PolarHBondContact O-N 3.5Å; F30-S34 WeakPolarHBondContact O-CB 3.39Å; F30-S34 PolarHBondContact O-N 3.07Å; F30-S34 PolarHBondContact O-OG 3.46Å |
| 31 | L | 66.1 | Low | 64.3 | Low | 39 Ų | 39 | 89.9 Ų | 89.9 | 20% | 0.204 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66.7 | -32.2 | 178.2 | -72.5 | 163.9 | 0 | 0 | 0 | 112.5 | I15 L19 Q27 F28 G33 S34 L38 | I15-L31 HydrophobicContact CG2-CD2 4.24Å; L19-L31 HydrophobicContact CD1-CD2 4.29Å; L19-L31 HydrophobicContact CD2-CD1 4.18Å; L19-L31 HydrophobicContact CD2-CD2 4.35Å; L19-L31 HydrophobicContact CD2-CG 4.08Å; Q27-L31 WeakPolarHBondContact O-CG 3.48Å; Q27-L31 PolarHBondContact O-N 3.34Å; F28-L31 PolarHBondContact O-N 3.23Å; L31-G33 PolarHBondContact O-N 3.02Å; L31-G33 VanDerWaalsContact O-N 3.08Å; L31-S34 WeakPolarHBondContact CA-OG 3.18Å; L31-S34 PolarHBondContact O-OG 3.45Å; L31-L38 HydrophobicContact CD2-CD1 4.12Å; L31-L38 HydrophobicContact CD2-CD2 3.9Å |
| 32 | R | 61 | Low | 63 | Low | 130 Ų | 130 | 82.6 Ų | 82.6 | 49% | 0.491 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.7 | 176.2 | -91.7 | -168 | -173.2 | -174.5 | 9.6 | 115.3 | F28 D29 F30 | F28-R32 PolarHBondContact O-N 3.36Å; D29-R32 PolarHBondContact O-N 3.07Å; F30-R32 VanDerWaalsContact C-N 3.31Å; F30-R32 PolarHBondContact O-N 3.11Å |
| 33 | G | 55.6 | Low | 62.3 | Low | 53 Ų | 53 | 86 Ų | 86 | 55% | 0.546 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | 7.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F30 L31 | F30-G33 PolarHBondContact O-N 3.5Å; L31-G33 PolarHBondContact O-N 3.02Å; L31-G33 VanDerWaalsContact O-N 3.08Å |
| 34 | S | 57.6 | Low | 62 | Low | 5 Ų | 5 | 87.8 Ų | 87.8 | 4% | 0.035 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -22.9 | -172.8 | 33.7 | 0 | 0 | 0 | 0 | 114.6 | F10 F30 L31 | F10-S34 PolarHBondContact N-O 3.22Å; F30-S34 WeakPolarHBondContact O-CB 3.39Å; F30-S34 PolarHBondContact O-N 3.07Å; F30-S34 PolarHBondContact O-OG 3.46Å; L31-S34 WeakPolarHBondContact CA-OG 3.18Å; L31-S34 PolarHBondContact O-OG 3.45Å |
| 35 | D | 55.9 | Low | 61.7 | Low | 45 Ų | 45 | 86 Ų | 86 | 24% | 0.241 | 43% | 0.426 | C | S | . | . | trans | -153.3 | 135.5 | 173.6 | -162 | -12.1 | 0 | 0 | 0 | 110.8 | L37 L38 E39 | D35-L37 PolarHBondContact O-N 2.95Å; D35-L37 PolarHBondContact OD1-N 3.26Å; D35-L38 HydrophobicContact CB-CB 3.95Å; D35-L38 HydrophobicContact CB-CD1 3.66Å; D35-L38 HydrophobicContact CB-CG 4.21Å; D35-L38 CarbonylContact O-C 3.57Å; D35-L38 WeakPolarHBondContact O-CB 3.44Å; D35-L38 PolarHBondContact O-N 3.18Å; D35-L38 VanDerWaalsContact O-N 3.1Å; D35-E39 PolarHBondContact O-N 2.8Å | ||
| 36 | I | 53.8 | Low | 61.6 | Low | 124 Ų | 124 | 80.4 Ų | 80.4 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.6 | -28.6 | -179.9 | -66.5 | 165.8 | 0 | 0 | 0 | 110.6 | K40 | I36-K40 PolarHBondContact O-N 3.06Å |
| 37 | L | 50.5 | Low | 61.7 | Low | 131 Ų | 131 | 82.8 Ų | 82.8 | 69% | 0.686 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -73.2 | -40.6 | 174.7 | -66.5 | 175.4 | 0 | 0 | 0 | 111.7 | D35 E39 K40 E41 | D35-L37 PolarHBondContact O-N 2.95Å; D35-L37 PolarHBondContact OD1-N 3.26Å; L37-E39 VanDerWaalsContact C-N 3.3Å; L37-K40 PolarHBondContact O-N 3.45Å; L37-E41 PolarHBondContact O-N 2.87Å; L37-E41 VanDerWaalsContact O-N 3.14Å |
| 38 | L | 55.3 | Low | 61.5 | Low | 44 Ų | 44 | 84.4 Ų | 84.4 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.5 | -30.4 | 172.7 | -85.4 | 149.3 | 0 | 0 | 0 | 112.1 | I15 L31 D35 E41 S42 | I15-L38 HydrophobicContact CD1-CD1 4.16Å; L31-L38 HydrophobicContact CD2-CD1 4.12Å; L31-L38 HydrophobicContact CD2-CD2 3.9Å; D35-L38 HydrophobicContact CB-CB 3.95Å; D35-L38 HydrophobicContact CB-CD1 3.66Å; D35-L38 HydrophobicContact CB-CG 4.21Å; D35-L38 CarbonylContact O-C 3.57Å; D35-L38 WeakPolarHBondContact O-CB 3.44Å; D35-L38 PolarHBondContact O-N 3.18Å; D35-L38 VanDerWaalsContact O-N 3.1Å; L38-E41 PolarHBondContact O-N 2.83Å; L38-S42 WeakPolarHBondContact O-CA 3.42Å; L38-S42 WeakPolarHBondContact O-CB 3.49Å; L38-S42 PolarHBondContact O-N 3.12Å; L38-S42 PolarHBondContact O-OG 2.93Å; L38-S42 VanDerWaalsContact O-OG 3.12Å |
| 39 | E | 53.6 | Low | 61.8 | Low | 65 Ų | 65 | 86 Ų | 86 | 30% | 0.304 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 176.8 | -159.9 | 170.5 | -163.8 | 0 | 0 | 110.4 | D35 L37 S42 E43 | D35-E39 PolarHBondContact O-N 2.8Å; L37-E39 VanDerWaalsContact C-N 3.3Å; E39-S42 PolarHBondContact O-N 2.95Å; E39-S42 PolarHBondContact O-OG 3.22Å; E39-E43 WeakPolarHBondContact O-CG 3.38Å; E39-E43 PolarHBondContact O-N 3.5Å |
| 40 | K | 56.9 | Low | 62.1 | Low | 143 Ų | 143 | 90.4 Ų | 90.4 | 62% | 0.622 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 174.7 | -72.1 | -170.2 | 176.3 | -174.8 | 0 | 113.3 | I36 L37 S42 E43 I44 | I36-K40 PolarHBondContact O-N 3.06Å; L37-K40 PolarHBondContact O-N 3.45Å; K40-S42 VanDerWaalsContact C-N 3.33Å; K40-E43 PolarHBondContact O-N 3.46Å; K40-I44 WeakPolarHBondContact O-CG1 3.38Å; K40-I44 PolarHBondContact O-N 2.88Å; K40-I44 VanDerWaalsContact O-N 3.1Å |
| 41 | E | 56.1 | Low | 62.6 | Low | 126 Ų | 126 | 94.2 Ų | 94.2 | 59% | 0.589 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.9 | -37.1 | 177.8 | -167.6 | 173.6 | -173 | 0 | 0 | 111.5 | L37 L38 I44 T45 | L37-E41 PolarHBondContact O-N 2.87Å; L37-E41 VanDerWaalsContact O-N 3.14Å; L38-E41 PolarHBondContact O-N 2.83Å; E41-I44 PolarHBondContact O-N 3.1Å; E41-T45 VanDerWaalsContact O-CB 3.31Å; E41-T45 WeakPolarHBondContact O-CB 3.35Å; E41-T45 PolarHBondContact O-N 2.91Å; E41-T45 PolarHBondContact O-OG1 2.81Å |
| 42 | S | 58 | Low | 63 | Low | 20 Ų | 20 | 97.7 Ų | 97.7 | 14% | 0.14 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 175.5 | 77.8 | 0 | 0 | 0 | 0 | 111.8 | L38 E39 K40 T45 L46 | L38-S42 WeakPolarHBondContact O-CA 3.42Å; L38-S42 WeakPolarHBondContact O-CB 3.49Å; L38-S42 PolarHBondContact O-N 3.12Å; L38-S42 PolarHBondContact O-OG 2.93Å; L38-S42 VanDerWaalsContact O-OG 3.12Å; E39-S42 PolarHBondContact O-N 2.95Å; E39-S42 PolarHBondContact O-OG 3.22Å; K40-S42 VanDerWaalsContact C-N 3.33Å; S42-T45 PolarHBondContact O-N 3.22Å; S42-L46 VanDerWaalsContact O-CB 3.3Å; S42-L46 WeakPolarHBondContact O-CB 3.3Å; S42-L46 WeakPolarHBondContact O-CD1 3.5Å; S42-L46 WeakPolarHBondContact O-CG 3.35Å; S42-L46 PolarHBondContact O-N 3.22Å |
| 43 | E | 63.9 | Low | 63.7 | Low | 122 Ų | 122 | 99.9 Ų | 99.9 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.1 | -46.8 | 174.7 | -80.1 | -177.3 | 167.4 | 0 | 0 | 111.7 | E39 K40 T45 L46 Y47 | E39-E43 WeakPolarHBondContact O-CG 3.38Å; E39-E43 PolarHBondContact O-N 3.5Å; K40-E43 PolarHBondContact O-N 3.46Å; E43-T45 VanDerWaalsContact C-N 3.31Å; E43-T45 PolarHBondContact O-N 3.31Å; E43-L46 PolarHBondContact O-N 2.91Å; E43-Y47 WeakPolarHBondContact O-CB 3.5Å; E43-Y47 PolarHBondContact O-N 3.38Å |
| 44 | I | 68.8 | Low | 64.7 | Low | 108 Ų | 108 | 98.7 Ų | 98.7 | 55% | 0.554 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 175.7 | -66.9 | 166.3 | 0 | 0 | 0 | 110.1 | K40 E41 L46 Y47 L48 | K40-I44 WeakPolarHBondContact O-CG1 3.38Å; K40-I44 PolarHBondContact O-N 2.88Å; K40-I44 VanDerWaalsContact O-N 3.1Å; E41-I44 PolarHBondContact O-N 3.1Å; I44-L46 PolarHBondContact O-N 2.91Å; I44-Y47 PolarHBondContact O-N 3.32Å; I44-L48 HydrophobicContact CG2-CD1 4.12Å; I44-L48 WeakPolarHBondContact O-CG 3.49Å; I44-L48 PolarHBondContact O-N 3.32Å |
| 45 | T | 66.2 | Low | 65.8 | Low | 52 Ų | 52 | 102.5 Ų | 102.5 | 32% | 0.319 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 179.2 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | E41 S42 E43 L48 Y49 | E41-T45 VanDerWaalsContact O-CB 3.31Å; E41-T45 WeakPolarHBondContact O-CB 3.35Å; E41-T45 PolarHBondContact O-N 2.91Å; E41-T45 PolarHBondContact O-OG1 2.81Å; S42-T45 PolarHBondContact O-N 3.22Å; E43-T45 VanDerWaalsContact C-N 3.31Å; E43-T45 PolarHBondContact O-N 3.31Å; T45-L48 PolarHBondContact O-N 3.24Å; T45-Y49 HydrophobicContact CG2-CD2 3.62Å; T45-Y49 HydrophobicContact CG2-CE2 3.43Å; T45-Y49 VanDerWaalsContact CG2-CE2 3.43Å; T45-Y49 WeakPolarHBondContact O-CD2 3.41Å; T45-Y49 PolarHBondContact O-N 3.12Å |
| 46 | L | 66 | Low | 66.8 | Low | 65 Ų | 65 | 105 Ų | 105 | 34% | 0.34 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 177.3 | -75.7 | 161.9 | 0 | 0 | 0 | 112.6 | S42 E43 I44 Y49 R50 | S42-L46 VanDerWaalsContact O-CB 3.3Å; S42-L46 WeakPolarHBondContact O-CB 3.3Å; S42-L46 WeakPolarHBondContact O-CD1 3.5Å; S42-L46 WeakPolarHBondContact O-CG 3.35Å; S42-L46 PolarHBondContact O-N 3.22Å; E43-L46 PolarHBondContact O-N 2.91Å; I44-L46 PolarHBondContact O-N 2.91Å; L46-Y49 PolarHBondContact O-N 2.87Å; L46-R50 VanDerWaalsContact O-CB 3.3Å; L46-R50 WeakPolarHBondContact O-CB 3.44Å; L46-R50 PolarHBondContact O-N 3.3Å |
| 47 | Y | 73.6 | Confident | 68 | Low | 151 Ų | 151 | 102.9 Ų | 102.9 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.8 | -46.3 | 173.3 | 174.7 | -96 | 0 | 0 | 0 | 111 | E43 I44 R50 K51 | E43-Y47 WeakPolarHBondContact O-CB 3.5Å; E43-Y47 PolarHBondContact O-N 3.38Å; I44-Y47 PolarHBondContact O-N 3.32Å; Y47-R50 PolarHBondContact O-N 3.29Å; Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 PolarHBondContact O-N 2.88Å |
| 48 | L | 71.7 | Confident | 69.3 | Low | 91 Ų | 91 | 101.2 Ų | 101.2 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 176.7 | -72 | 169.6 | 0 | 0 | 0 | 112.1 | I44 T45 R50 K51 L52 | I44-L48 HydrophobicContact CG2-CD1 4.12Å; I44-L48 WeakPolarHBondContact O-CG 3.49Å; I44-L48 PolarHBondContact O-N 3.32Å; T45-L48 PolarHBondContact O-N 3.24Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.86Å; L48-K51 PolarHBondContact O-N 3.49Å; L48-L52 WeakPolarHBondContact O-CB 3.37Å; L48-L52 WeakPolarHBondContact O-CG 3.35Å; L48-L52 PolarHBondContact O-N 3.46Å |
| 49 | Y | 70.5 | Confident | 70.3 | Confident | 146 Ų | 146 | 103.4 Ų | 103.4 | 57% | 0.573 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.7 | -40.5 | 175.9 | -84.8 | -64.9 | 0 | 0 | 0 | 112.5 | T45 L46 R53 | T45-Y49 HydrophobicContact CG2-CD2 3.62Å; T45-Y49 HydrophobicContact CG2-CE2 3.43Å; T45-Y49 VanDerWaalsContact CG2-CE2 3.43Å; T45-Y49 WeakPolarHBondContact O-CD2 3.41Å; T45-Y49 PolarHBondContact O-N 3.12Å; L46-Y49 PolarHBondContact O-N 2.87Å; Y49-R53 VanDerWaalsContact O-CB 3.27Å; Y49-R53 WeakPolarHBondContact O-CB 3.35Å; Y49-R53 PolarHBondContact O-N 3.45Å |
| 50 | R | 73.1 | Confident | 71.3 | Confident | 205 Ų | 205 | 104.7 Ų | 104.7 | 77% | 0.774 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 176.7 | -176.4 | -179.5 | -92.6 | -172.5 | -6.7 | 111.1 | L46 Y47 L48 R53 G54 | L46-R50 VanDerWaalsContact O-CB 3.3Å; L46-R50 WeakPolarHBondContact O-CB 3.44Å; L46-R50 PolarHBondContact O-N 3.3Å; Y47-R50 PolarHBondContact O-N 3.29Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.86Å; R50-R53 PolarHBondContact O-N 2.85Å; R50-G54 PolarHBondContact O-N 3.11Å |
| 51 | K | 79.8 | Confident | 72.3 | Confident | 113 Ų | 113 | 101.4 Ų | 101.4 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -50.9 | 176 | -170.9 | 176.9 | 179.1 | -178.4 | 0 | 111.4 | Y47 L48 R53 G54 D55 | Y47-K51 WeakPolarHBondContact O-CB 3.46Å; Y47-K51 PolarHBondContact O-N 2.88Å; L48-K51 PolarHBondContact O-N 3.49Å; K51-R53 VanDerWaalsContact C-N 3.28Å; K51-R53 PolarHBondContact O-N 2.99Å; K51-G54 PolarHBondContact O-N 3.04Å; K51-G54 VanDerWaalsContact O-N 3.12Å; K51-D55 VanDerWaalsContact O-CG 3.3Å; K51-D55 PolarHBondContact O-N 3.48Å |
| 52 | L | 75 | Confident | 73.2 | Confident | 112 Ų | 112 | 99.8 Ų | 99.8 | 59% | 0.586 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.4 | -39.1 | 176.9 | -74.1 | 168.9 | 0 | 0 | 0 | 112.5 | L48 D55 L56 | L48-L52 WeakPolarHBondContact O-CB 3.37Å; L48-L52 WeakPolarHBondContact O-CG 3.35Å; L48-L52 PolarHBondContact O-N 3.46Å; L52-D55 PolarHBondContact O-N 3.05Å; L52-L56 WeakPolarHBondContact O-CB 3.26Å; L52-L56 PolarHBondContact O-N 3.49Å |
| 53 | R | 75.7 | Confident | 73.8 | Confident | 177 Ų | 177 | 102.3 Ų | 102.3 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.6 | -43.1 | 175.9 | -172.5 | 175.1 | -178.1 | 178.9 | 2.4 | 111.8 | Y49 R50 K51 L56 D57 | Y49-R53 VanDerWaalsContact O-CB 3.27Å; Y49-R53 WeakPolarHBondContact O-CB 3.35Å; Y49-R53 PolarHBondContact O-N 3.45Å; R50-R53 PolarHBondContact O-N 2.85Å; K51-R53 VanDerWaalsContact C-N 3.28Å; K51-R53 PolarHBondContact O-N 2.99Å; R53-L56 PolarHBondContact O-N 2.91Å; R53-D57 WeakPolarHBondContact O-CB 3.43Å; R53-D57 VanDerWaalsContact O-CG 3.32Å; R53-D57 PolarHBondContact O-N 3.37Å |
| 54 | G | 77.3 | Confident | 74.3 | Confident | 28 Ų | 28 | 103.4 Ų | 103.4 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R50 K51 L56 D57 N58 | R50-G54 PolarHBondContact O-N 3.11Å; K51-G54 PolarHBondContact O-N 3.04Å; K51-G54 VanDerWaalsContact O-N 3.12Å; G54-L56 VanDerWaalsContact C-N 3.33Å; G54-L56 PolarHBondContact O-N 2.95Å; G54-D57 PolarHBondContact O-N 3.04Å; G54-N58 WeakPolarHBondContact O-CB 3.46Å; G54-N58 PolarHBondContact O-N 3.2Å; G54-N58 PolarHBondContact O-ND2 3.38Å |
| 55 | D | 80.1 | Confident | 74.4 | Confident | 85 Ų | 85 | 102.9 Ų | 102.9 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 176.1 | -66.1 | -21.8 | 0 | 0 | 0 | 111.4 | K51 L52 L59 | K51-D55 VanDerWaalsContact O-CG 3.3Å; K51-D55 PolarHBondContact O-N 3.48Å; L52-D55 PolarHBondContact O-N 3.05Å; D55-L59 WeakPolarHBondContact O-CB 3.3Å; D55-L59 PolarHBondContact O-N 3.35Å |
| 56 | L | 76.7 | Confident | 74.4 | Confident | 96 Ų | 96 | 106 Ų | 106 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 175 | -176.8 | 66.8 | 0 | 0 | 0 | 112.4 | L52 R53 G54 N58 L59 L60 | L52-L56 WeakPolarHBondContact O-CB 3.26Å; L52-L56 PolarHBondContact O-N 3.49Å; R53-L56 PolarHBondContact O-N 2.91Å; G54-L56 VanDerWaalsContact C-N 3.33Å; G54-L56 PolarHBondContact O-N 2.95Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.06Å; L56-L59 WeakPolarHBondContact O-CB 3.39Å; L56-L59 PolarHBondContact O-N 3.47Å; L56-L60 HydrophobicContact CG-CD1 4.28Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 3.2Å |
| 57 | D | 78.6 | Confident | 74 | Confident | 80 Ų | 80 | 108.7 Ų | 108.7 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 177.9 | -72 | -25.1 | 0 | 0 | 0 | 110.4 | R53 G54 L60 V61 | R53-D57 WeakPolarHBondContact O-CB 3.43Å; R53-D57 VanDerWaalsContact O-CG 3.32Å; R53-D57 PolarHBondContact O-N 3.37Å; G54-D57 PolarHBondContact O-N 3.04Å; D57-L60 PolarHBondContact O-N 2.9Å; D57-V61 VanDerWaalsContact O-CG2 3.3Å; D57-V61 WeakPolarHBondContact O-CG2 3.45Å; D57-V61 PolarHBondContact O-N 2.82Å |
| 58 | N | 77.8 | Confident | 73.2 | Confident | 97 Ų | 97 | 105.7 Ų | 105.7 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 173.6 | -72.6 | -26.5 | 0 | 0 | 0 | 112 | G54 L56 L60 V61 N62 | G54-N58 WeakPolarHBondContact O-CB 3.46Å; G54-N58 PolarHBondContact O-N 3.2Å; G54-N58 PolarHBondContact O-ND2 3.38Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.06Å; N58-L60 VanDerWaalsContact C-N 3.34Å; N58-L60 PolarHBondContact O-N 3.46Å; N58-V61 PolarHBondContact O-N 2.99Å; N58-N62 WeakPolarHBondContact O-CB 3.45Å; N58-N62 VanDerWaalsContact O-CG 3.25Å; N58-N62 PolarHBondContact O-N 3.05Å |
| 59 | L | 77.4 | Confident | 72.1 | Confident | 89 Ų | 89 | 104.2 Ų | 104.2 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 176.5 | -164.3 | 103.3 | 0 | 0 | 0 | 111.3 | D55 L56 N62 I63 | D55-L59 WeakPolarHBondContact O-CB 3.3Å; D55-L59 PolarHBondContact O-N 3.35Å; L56-L59 WeakPolarHBondContact O-CB 3.39Å; L56-L59 PolarHBondContact O-N 3.47Å; L59-N62 PolarHBondContact O-N 2.85Å; L59-I63 HydrophobicContact CD2-CD1 3.82Å; L59-I63 HydrophobicContact CG-CD1 4.11Å; L59-I63 WeakPolarHBondContact O-CB 3.29Å; L59-I63 VanDerWaalsContact O-CG1 3.24Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.45Å |
| 60 | L | 74.4 | Confident | 70.8 | Confident | 92 Ų | 92 | 105.3 Ų | 105.3 | 48% | 0.482 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.9 | -74.4 | 171.3 | 0 | 0 | 0 | 112.3 | L56 D57 N58 K64 | L56-L60 HydrophobicContact CG-CD1 4.28Å; L56-L60 WeakPolarHBondContact O-CG 3.44Å; L56-L60 PolarHBondContact O-N 3.2Å; D57-L60 PolarHBondContact O-N 2.9Å; N58-L60 VanDerWaalsContact C-N 3.34Å; N58-L60 PolarHBondContact O-N 3.46Å; L60-K64 WeakPolarHBondContact O-CB 3.34Å; L60-K64 PolarHBondContact O-N 3.36Å |
| 61 | V | 77 | Confident | 69.6 | Low | 74 Ų | 74 | 101.3 Ų | 101.3 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 173.8 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | D57 N58 K64 N65 | D57-V61 VanDerWaalsContact O-CG2 3.3Å; D57-V61 WeakPolarHBondContact O-CG2 3.45Å; D57-V61 PolarHBondContact O-N 2.82Å; N58-V61 PolarHBondContact O-N 2.99Å; V61-K64 PolarHBondContact O-N 3.3Å; V61-N65 WeakPolarHBondContact O-CB 3.4Å; V61-N65 VanDerWaalsContact O-CG 3.22Å; V61-N65 PolarHBondContact O-N 3.13Å; V61-N65 PolarHBondContact O-ND2 2.96Å |
| 62 | N | 75.9 | Confident | 67.9 | Low | 93 Ų | 93 | 104.9 Ų | 104.9 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.8 | -46.4 | 177 | -70.8 | -12.1 | 0 | 0 | 0 | 111.5 | N58 L59 K64 N65 E66 | N58-N62 WeakPolarHBondContact O-CB 3.45Å; N58-N62 VanDerWaalsContact O-CG 3.25Å; N58-N62 PolarHBondContact O-N 3.05Å; L59-N62 PolarHBondContact O-N 2.85Å; N62-K64 VanDerWaalsContact C-N 3.3Å; N62-K64 PolarHBondContact O-N 3.31Å; N62-N65 PolarHBondContact O-N 3.16Å; N62-E66 PolarHBondContact O-N 3Å |
| 63 | I | 70 | Confident | 66.3 | Low | 73 Ų | 73 | 105.6 Ų | 105.6 | 37% | 0.374 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.9 | -41.2 | 175.4 | -70.2 | 164.8 | 0 | 0 | 0 | 110.8 | L59 L67 | L59-I63 HydrophobicContact CD2-CD1 3.82Å; L59-I63 HydrophobicContact CG-CD1 4.11Å; L59-I63 WeakPolarHBondContact O-CB 3.29Å; L59-I63 VanDerWaalsContact O-CG1 3.24Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.45Å; I63-L67 HydrophobicContact CG2-CD1 3.63Å; I63-L67 HydrophobicContact CG2-CG 4.36Å; I63-L67 VanDerWaalsContact O-CB 3.25Å; I63-L67 WeakPolarHBondContact O-CB 3.26Å; I63-L67 WeakPolarHBondContact O-CD1 3.25Å; I63-L67 WeakPolarHBondContact O-CG 3.22Å; I63-L67 PolarHBondContact O-N 3.47Å |
| 64 | K | 73.9 | Confident | 64.7 | Low | 145 Ų | 145 | 106 Ų | 106 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.4 | -39.3 | 177.3 | -173.3 | -177.7 | 176.3 | -173.4 | 0 | 112 | L60 V61 N62 S68 | L60-K64 WeakPolarHBondContact O-CB 3.34Å; L60-K64 PolarHBondContact O-N 3.36Å; V61-K64 PolarHBondContact O-N 3.3Å; N62-K64 VanDerWaalsContact C-N 3.3Å; N62-K64 PolarHBondContact O-N 3.31Å; K64-S68 WeakPolarHBondContact O-CB 3.49Å; K64-S68 PolarHBondContact O-N 3.3Å; K64-S68 VanDerWaalsContact O-N 3.13Å; K64-S68 PolarHBondContact O-OG 3.13Å |
| 65 | N | 72.3 | Confident | 62.7 | Low | 96 Ų | 96 | 111.2 Ų | 111.2 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69 | -43.8 | 178.4 | -69.5 | -15.5 | 0 | 0 | 0 | 111.1 | V61 N62 S68 A69 | V61-N65 WeakPolarHBondContact O-CB 3.4Å; V61-N65 VanDerWaalsContact O-CG 3.22Å; V61-N65 PolarHBondContact O-N 3.13Å; V61-N65 PolarHBondContact O-ND2 2.96Å; N62-N65 PolarHBondContact O-N 3.16Å; N65-S68 PolarHBondContact O-N 3.19Å; N65-S68 VanDerWaalsContact O-N 3.13Å; N65-A69 PolarHBondContact O-N 3.17Å; N65-A69 VanDerWaalsContact O-N 3.16Å |
| 66 | E | 66.6 | Low | 61 | Low | 118 Ų | 118 | 112.7 Ų | 112.7 | 55% | 0.551 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.3 | -39.4 | 174.2 | -75.9 | -179.8 | 174.8 | 0 | 0 | 111.8 | N62 S68 A69 | N62-E66 PolarHBondContact O-N 3Å; E66-S68 PolarHBondContact O-N 2.81Å; E66-A69 PolarHBondContact O-N 2.89Å |
| 67 | L | 57.4 | Low | 59.5 | Low | 121 Ų | 121 | 117.3 Ų | 117.3 | 63% | 0.634 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.7 | -18.5 | 173.9 | -79.4 | 164 | 0 | 0 | 0 | 114.1 | I63 | I63-L67 HydrophobicContact CG2-CD1 3.63Å; I63-L67 HydrophobicContact CG2-CG 4.36Å; I63-L67 VanDerWaalsContact O-CB 3.25Å; I63-L67 WeakPolarHBondContact O-CB 3.26Å; I63-L67 WeakPolarHBondContact O-CD1 3.25Å; I63-L67 WeakPolarHBondContact O-CG 3.22Å; I63-L67 PolarHBondContact O-N 3.47Å |
| 68 | S | 56.6 | Low | 57.8 | Low | 88 Ų | 88 | 120.3 Ų | 120.3 | 62% | 0.615 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -97.9 | -7.1 | 178.5 | -52.5 | 0 | 0 | 0 | 0 | 112.6 | K64 N65 E66 | K64-S68 WeakPolarHBondContact O-CB 3.49Å; K64-S68 PolarHBondContact O-N 3.3Å; K64-S68 VanDerWaalsContact O-N 3.13Å; K64-S68 PolarHBondContact O-OG 3.13Å; N65-S68 PolarHBondContact O-N 3.19Å; N65-S68 VanDerWaalsContact O-N 3.13Å; E66-S68 PolarHBondContact O-N 2.81Å |
| 69 | A | 47.6 | Very low | 56.7 | Low | 60 Ų | 60 | 124.6 Ų | 124.6 | 50% | 0.496 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -88.3 | 114.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | N65 E66 V71 | N65-A69 PolarHBondContact O-N 3.17Å; N65-A69 VanDerWaalsContact O-N 3.16Å; E66-A69 PolarHBondContact O-N 2.89Å; A69-V71 PolarHBondContact O-N 3.41Å; A69-V71 VanDerWaalsContact O-N 3.12Å |
| 70 | D | 43.2 | Very low | 55.6 | Low | 169 Ų | 169 | 126.2 Ų | 126.2 | 90% | 0.904 | 67% | 0.673 | S | S | * | * | trans | -57.5 | 116.1 | 174.4 | -80.7 | -40 | 0 | 0 | 0 | 109.7 | E72 | D70-E72 PolarHBondContact O-N 3.25Š| ||
| 71 | V | 48.8 | Very low | 54.8 | Low | 122 Ų | 122 | 124.3 Ų | 124.3 | 74% | 0.739 | 66% | 0.663 | S | S | * | * | trans | -76.9 | 103.1 | -178.9 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | A69 T73 | A69-V71 PolarHBondContact O-N 3.41Å; A69-V71 VanDerWaalsContact O-N 3.12Å; V71-T73 PolarHBondContact O-N 2.64Å | ||
| 72 | E | 43.3 | Very low | 54.3 | Low | 188 Ų | 188 | 126.6 Ų | 126.6 | 88% | 0.879 | 68% | 0.679 | S | S | * | * | trans | -63.4 | 122.3 | 156.3 | -72.6 | -172.6 | 163.4 | 0 | 0 | 108.5 | D70 E74 | D70-E72 PolarHBondContact O-N 3.25Å; E72-E74 PolarHBondContact O-N 3.3Å | ||
| 73 | T | 41.2 | Very low | 54 | Low | 127 Ų | 127 | 125.4 Ų | 125.4 | 78% | 0.779 | 67% | 0.67 | S | S | * | * | trans | -73.6 | 107.5 | -174.5 | 44.8 | 0 | 0 | 0 | 0 | 111.6 | V71 | V71-T73 PolarHBondContact O-N 2.64Š| ||
| 74 | E | 41.6 | Very low | 54 | Low | 184 Ų | 184 | 126.4 Ų | 126.4 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | trans | -100.7 | 116.1 | 159.2 | -107.6 | -173.5 | 169.5 | 0 | 0 | 109.9 | E72 V76 | E72-E74 PolarHBondContact O-N 3.3Å; E74-V76 PolarHBondContact O-N 3.1Å | ||
| 75 | V | 35.9 | Very low | 53.9 | Low | 139 Ų | 139 | 122 Ų | 122 | 84% | 0.842 | 66% | 0.661 | S | S | * | * | trans | -79.6 | 110.3 | 176.9 | 177 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 76 | V | 44.9 | Very low | 53.7 | Low | 116 Ų | 116 | 123 Ų | 123 | 70% | 0.703 | 67% | 0.671 | S | S | * | * | trans | -126.7 | 126.3 | 169.7 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | E74 | E74-V76 PolarHBondContact O-N 3.1Š| ||
| 77 | E | 44.4 | Very low | 53.8 | Low | 192 Ų | 192 | 120.4 Ų | 120.4 | 90% | 0.897 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 136 | -167.7 | -68.4 | 179 | 139.1 | 0 | 0 | 115.8 | ||
| 78 | E | 43.5 | Very low | 54.5 | Low | 143 Ų | 143 | 123.5 Ų | 123.5 | 67% | 0.668 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 126.7 | -171.8 | -65.4 | 178.9 | 152.3 | 0 | 0 | 113.4 | ||
| 79 | K | 54.8 | Low | 55.1 | Low | 187 Ų | 187 | 125.1 Ų | 125.1 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 133.2 | 137.9 | -81.2 | 179 | 177.5 | 176.6 | 0 | 106.9 | L81 | K79-L81 PolarHBondContact O-N 2.9Š|
| 80 | P | 53.7 | Low | 56.2 | Low | 124 Ų | 124 | 122.5 Ų | 122.5 | 81% | 0.805 | 65% | 0.651 | S | S | * | * | trans | -64.2 | 107.6 | -174.1 | 25.1 | -32.6 | 0 | 0 | 0 | 109.6 | ||||
| 81 | L | 59 | Low | 57.8 | Low | 51 Ų | 51 | 120.4 Ų | 120.4 | 27% | 0.267 | 63% | 0.634 | S | S | . | * | trans | -72.1 | 149.5 | 166 | -76.8 | 107.5 | 0 | 0 | 0 | 108.7 | K79 F83 A97 Q98 | K79-L81 PolarHBondContact O-N 2.9Å; L81-F83 HydrophobicContact CB-CD2 3.9Å; L81-F83 HydrophobicContact CB-CE2 4.34Å; L81-F83 HydrophobicContact CD2-CD2 4.41Å; L81-F83 HydrophobicContact CD2-CE2 4.21Å; L81-F83 PolarHBondContact O-N 2.86Å; L81-A97 HydrophobicContact CD2-CB 3.36Å; L81-Q98 HydrophobicContact CD1-CG 4.11Å | ||
| 82 | P | 65.8 | Low | 59 | Low | 123 Ų | 123 | 120.7 Ų | 120.7 | 80% | 0.799 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -73.7 | 26.8 | -171.9 | 32.4 | -37.9 | 0 | 0 | 0 | 114.3 | ||
| 83 | F | 68.4 | Low | 60.5 | Low | 68 Ų | 68 | 115.3 Ų | 115.3 | 30% | 0.298 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -114.7 | 139.1 | -176.7 | -51.6 | -72.2 | 0 | 0 | 0 | 110.8 | L81 T85 L93 A94 A97 | L81-F83 HydrophobicContact CB-CD2 3.9Å; L81-F83 HydrophobicContact CB-CE2 4.34Å; L81-F83 HydrophobicContact CD2-CD2 4.41Å; L81-F83 HydrophobicContact CD2-CE2 4.21Å; L81-F83 PolarHBondContact O-N 2.86Å; F83-T85 PolarHBondContact O-N 2.94Å; F83-L93 HydrophobicContact CB-CB 4.19Å; F83-L93 HydrophobicContact CD1-CB 3.62Å; F83-L93 HydrophobicContact CD1-CD1 3.98Å; F83-L93 HydrophobicContact CD1-CG 4.37Å; F83-L93 HydrophobicContact CD2-CB 4.38Å; F83-L93 HydrophobicContact CE1-CB 4.07Å; F83-L93 HydrophobicContact CE1-CD1 4.46Å; F83-L93 HydrophobicContact CG-CB 3.79Å; F83-A94 HydrophobicContact CD2-CB 4.49Å; F83-A97 HydrophobicContact CD2-CB 4.21Å; F83-A97 HydrophobicContact CE2-CB 3.36Å; F83-A97 HydrophobicContact CZ-CB 4.04Å |
| 84 | D | 70.6 | Confident | 62.2 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | trans | -73.4 | 90.8 | 175.5 | 176.9 | 10.5 | 0 | 0 | 0 | 111 | T86 T87 G90 | D84-T86 VanDerWaalsContact CG-OG1 3.26Å; D84-T86 PolarHBondContact O-N 2.94Å; D84-T86 VanDerWaalsContact OD1-CB 3.3Å; D84-T86 WeakPolarHBondContact OD1-CB 3.47Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.42Å; D84-T86 PolarHBondContact OD1-N 3.36Å; D84-T86 VanDerWaalsContact OD1-N 3.14Å; D84-T86 PolarHBondContact OD1-OG1 2.93Å; D84-T86 PolarHBondContact OD2-OG1 3.49Å; D84-T87 PolarHBondContact O-N 3.3Å; D84-T87 PolarHBondContact O-OG1 3.1Å; D84-G90 VanDerWaalsContact O-CA 3.23Å; D84-G90 WeakPolarHBondContact O-CA 3.35Å | ||
| 85 | T | 72 | Confident | 63.8 | Low | 53 Ų | 53 | 105.2 Ų | 105.2 | 33% | 0.325 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.7 | -1.2 | -178.6 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | F83 T87 K91 A94 | F83-T85 PolarHBondContact O-N 2.94Å; T85-T87 VanDerWaalsContact C-N 3.31Å; T85-K91 WeakPolarHBondContact O-CE 3.43Å; T85-K91 WeakPolarHBondContact O-CG 3.26Å; T85-A94 HydrophobicContact CG2-CB 3.99Å |
| 86 | T | 68.2 | Low | 65.7 | Low | 116 Ų | 116 | 102.9 Ų | 102.9 | 71% | 0.712 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -21.7 | 175.6 | 71 | 0 | 0 | 0 | 0 | 112.9 | D84 | D84-T86 VanDerWaalsContact CG-OG1 3.26Å; D84-T86 PolarHBondContact O-N 2.94Å; D84-T86 VanDerWaalsContact OD1-CB 3.3Å; D84-T86 WeakPolarHBondContact OD1-CB 3.47Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.42Å; D84-T86 PolarHBondContact OD1-N 3.36Å; D84-T86 VanDerWaalsContact OD1-N 3.14Å; D84-T86 PolarHBondContact OD1-OG1 2.93Å; D84-T86 PolarHBondContact OD2-OG1 3.49Å |
| 87 | T | 69.2 | Low | 67.1 | Low | 64 Ų | 64 | 98.1 Ų | 98.1 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -100.2 | 149.1 | 177.6 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | D84 T85 I89 G90 K91 | D84-T87 PolarHBondContact O-N 3.3Å; D84-T87 PolarHBondContact O-OG1 3.1Å; T85-T87 VanDerWaalsContact C-N 3.31Å; T87-I89 PolarHBondContact O-N 2.89Å; T87-I89 VanDerWaalsContact O-N 3.11Å; T87-G90 PolarHBondContact O-N 3.04Å; T87-G90 PolarHBondContact OG1-N 3.22Å; T87-K91 PolarHBondContact O-N 3.16Å |
| 88 | K | 71.2 | Confident | 68.6 | Low | 186 Ų | 186 | 93.6 Ų | 93.6 | 81% | 0.809 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -53.8 | -32.4 | 173 | -72.8 | -172.6 | 179.4 | -177.9 | 0 | 112.4 | K92 | K88-K92 WeakPolarHBondContact O-CG 3.04Å; K88-K92 PolarHBondContact O-N 3.28Å |
| 89 | I | 70.6 | Confident | 70.1 | Confident | 122 Ų | 122 | 90 Ų | 90 | 63% | 0.626 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -72 | -46 | 177.8 | -68 | 167.5 | 0 | 0 | 0 | 110.6 | T87 K92 L93 | T87-I89 PolarHBondContact O-N 2.89Å; T87-I89 VanDerWaalsContact O-N 3.11Å; I89-K92 WeakPolarHBondContact O-CB 3.3Å; I89-K92 PolarHBondContact O-N 3.09Å; I89-L93 HydrophobicContact CG2-CD1 4.08Å; I89-L93 HydrophobicContact CG2-CG 4.44Å; I89-L93 WeakPolarHBondContact O-CG 3.37Å; I89-L93 PolarHBondContact O-N 3.48Å |
| 90 | G | 70.7 | Confident | 70.9 | Confident | 4 Ų | 4 | 87.3 Ų | 87.3 | 4% | 0.041 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -70.7 | -30.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D84 T87 L93 A94 | D84-G90 VanDerWaalsContact O-CA 3.23Å; D84-G90 WeakPolarHBondContact O-CA 3.35Å; T87-G90 PolarHBondContact O-N 3.04Å; T87-G90 PolarHBondContact OG1-N 3.22Å; G90-L93 PolarHBondContact O-N 3.42Å; G90-A94 WeakPolarHBondContact O-CB 3.4Å; G90-A94 PolarHBondContact O-N 3.4Å |
| 91 | K | 75.7 | Confident | 71.9 | Confident | 126 Ų | 126 | 84.8 Ų | 84.8 | 55% | 0.548 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.5 | -51.5 | 165.7 | -68.9 | -169.2 | 177.5 | -171.6 | 0 | 111.2 | T85 T87 L93 A94 D95 | T85-K91 WeakPolarHBondContact O-CE 3.43Å; T85-K91 WeakPolarHBondContact O-CG 3.26Å; T87-K91 PolarHBondContact O-N 3.16Å; K91-L93 VanDerWaalsContact C-N 3.32Å; K91-L93 PolarHBondContact O-N 2.95Å; K91-A94 WeakPolarHBondContact O-CB 3.42Å; K91-A94 PolarHBondContact O-N 3.35Å; K91-A94 VanDerWaalsContact O-N 3.1Å; K91-D95 VanDerWaalsContact O-CG 3.22Å; K91-D95 PolarHBondContact O-N 3.4Å |
| 92 | K | 73.9 | Confident | 72.4 | Confident | 128 Ų | 128 | 83.6 Ų | 83.6 | 56% | 0.557 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.2 | -39.4 | 176.9 | -73.5 | -176.6 | 175.9 | -163.2 | 0 | 113.4 | K88 I89 D95 I96 | K88-K92 WeakPolarHBondContact O-CG 3.04Å; K88-K92 PolarHBondContact O-N 3.28Å; I89-K92 WeakPolarHBondContact O-CB 3.3Å; I89-K92 PolarHBondContact O-N 3.09Å; K92-D95 PolarHBondContact O-N 2.89Å; K92-I96 WeakPolarHBondContact O-CD1 3.24Å; K92-I96 VanDerWaalsContact O-CG1 3.26Å; K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 PolarHBondContact O-N 2.87Å |
| 93 | L | 75.2 | Confident | 72.5 | Confident | 75 Ų | 75 | 81.7 Ų | 81.7 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 176.7 | -72 | 172.6 | 0 | 0 | 0 | 112 | F83 I89 G90 K91 A97 | F83-L93 HydrophobicContact CB-CB 4.19Å; F83-L93 HydrophobicContact CD1-CB 3.62Å; F83-L93 HydrophobicContact CD1-CD1 3.98Å; F83-L93 HydrophobicContact CD1-CG 4.37Å; F83-L93 HydrophobicContact CD2-CB 4.38Å; F83-L93 HydrophobicContact CE1-CB 4.07Å; F83-L93 HydrophobicContact CE1-CD1 4.46Å; F83-L93 HydrophobicContact CG-CB 3.79Å; I89-L93 HydrophobicContact CG2-CD1 4.08Å; I89-L93 HydrophobicContact CG2-CG 4.44Å; I89-L93 WeakPolarHBondContact O-CG 3.37Å; I89-L93 PolarHBondContact O-N 3.48Å; G90-L93 PolarHBondContact O-N 3.42Å; K91-L93 VanDerWaalsContact C-N 3.32Å; K91-L93 PolarHBondContact O-N 2.95Å; L93-A97 WeakPolarHBondContact O-CB 3.47Å; L93-A97 PolarHBondContact O-N 2.89Å |
| 94 | A | 76.1 | Confident | 72.3 | Confident | 8 Ų | 8 | 83.8 Ų | 83.8 | 7% | 0.066 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F83 T85 G90 K91 I96 A97 Q98 | F83-A94 HydrophobicContact CD2-CB 4.49Å; T85-A94 HydrophobicContact CG2-CB 3.99Å; G90-A94 WeakPolarHBondContact O-CB 3.4Å; G90-A94 PolarHBondContact O-N 3.4Å; K91-A94 WeakPolarHBondContact O-CB 3.42Å; K91-A94 PolarHBondContact O-N 3.35Å; K91-A94 VanDerWaalsContact O-N 3.1Å; A94-I96 PolarHBondContact O-N 3.14Å; A94-A97 PolarHBondContact O-N 2.97Å; A94-Q98 WeakPolarHBondContact O-CG 3.37Å; A94-Q98 PolarHBondContact O-N 3.45Å |
| 95 | D | 76.4 | Confident | 72.1 | Confident | 91 Ų | 91 | 86 Ų | 86 | 49% | 0.487 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 176.6 | -59.1 | -25.3 | 0 | 0 | 0 | 111.1 | K91 K92 A97 Q98 V99 | K91-D95 VanDerWaalsContact O-CG 3.22Å; K91-D95 PolarHBondContact O-N 3.4Å; K92-D95 PolarHBondContact O-N 2.89Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 3.38Å; D95-Q98 PolarHBondContact O-N 3.33Å; D95-V99 WeakPolarHBondContact O-CG2 3.4Å; D95-V99 PolarHBondContact O-N 2.93Å |
| 96 | I | 75.6 | Confident | 71.3 | Confident | 90 Ų | 90 | 91.3 Ų | 91.3 | 46% | 0.462 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.3 | -46.6 | 176.5 | -70.1 | 165.8 | 0 | 0 | 0 | 110.4 | K92 A94 Q98 V99 F100 | K92-I96 WeakPolarHBondContact O-CD1 3.24Å; K92-I96 VanDerWaalsContact O-CG1 3.26Å; K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 PolarHBondContact O-N 2.87Å; A94-I96 PolarHBondContact O-N 3.14Å; I96-Q98 VanDerWaalsContact C-N 3.34Å; I96-Q98 PolarHBondContact O-N 3.2Å; I96-V99 PolarHBondContact O-N 3.01Å; I96-F100 HydrophobicContact CG2-CD2 3.63Å; I96-F100 HydrophobicContact CG2-CE2 3.64Å; I96-F100 VanDerWaalsContact O-CD2 3.29Å; I96-F100 WeakPolarHBondContact O-CD2 3.48Å; I96-F100 PolarHBondContact O-N 3.17Å |
| 97 | A | 73.3 | Confident | 70.5 | Confident | 15 Ų | 15 | 88.9 Ų | 88.9 | 12% | 0.124 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68.5 | -31.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L81 F83 L93 A94 D95 F100 T101 | L81-A97 HydrophobicContact CD2-CB 3.36Å; F83-A97 HydrophobicContact CD2-CB 4.21Å; F83-A97 HydrophobicContact CE2-CB 3.36Å; F83-A97 HydrophobicContact CZ-CB 4.04Å; L93-A97 WeakPolarHBondContact O-CB 3.47Å; L93-A97 PolarHBondContact O-N 2.89Å; A94-A97 PolarHBondContact O-N 2.97Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 3.38Å; A97-F100 PolarHBondContact O-N 3.22Å; A97-T101 WeakPolarHBondContact O-CB 3.48Å; A97-T101 WeakPolarHBondContact O-CG2 3.36Å; A97-T101 PolarHBondContact O-N 2.75Å; A97-T101 PolarHBondContact O-OG1 2.96Å |
| 98 | Q | 75.7 | Confident | 69.6 | Low | 98 Ų | 98 | 93.5 Ų | 93.5 | 46% | 0.458 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 169.6 | -76.2 | -173.1 | 4.4 | 0 | 0 | 111.5 | L81 A94 D95 I96 F100 T101 G102 | L81-Q98 HydrophobicContact CD1-CG 4.11Å; A94-Q98 WeakPolarHBondContact O-CG 3.37Å; A94-Q98 PolarHBondContact O-N 3.45Å; D95-Q98 PolarHBondContact O-N 3.33Å; I96-Q98 VanDerWaalsContact C-N 3.34Å; I96-Q98 PolarHBondContact O-N 3.2Å; Q98-F100 PolarHBondContact O-N 3.28Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.45Å; Q98-T101 PolarHBondContact O-N 3.45Å; Q98-T101 PolarHBondContact O-OG1 3.32Å; Q98-G102 PolarHBondContact O-N 3.29Å |
| 99 | V | 76.8 | Confident | 68.7 | Low | 66 Ų | 66 | 92.5 Ų | 92.5 | 40% | 0.4 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 175 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | D95 I96 G102 N103 | D95-V99 WeakPolarHBondContact O-CG2 3.4Å; D95-V99 PolarHBondContact O-N 2.93Å; I96-V99 PolarHBondContact O-N 3.01Å; V99-G102 PolarHBondContact O-N 3.06Å; V99-N103 WeakPolarHBondContact O-CB 3.43Å; V99-N103 VanDerWaalsContact O-CG 3.3Å; V99-N103 PolarHBondContact O-N 3.38Å; V99-N103 PolarHBondContact O-ND2 2.88Å |
| 100 | F | 70.9 | Confident | 67.4 | Low | 131 Ų | 131 | 92 Ų | 92 | 58% | 0.575 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.3 | -46 | 177.2 | -89.9 | -78.6 | 0 | 0 | 0 | 112.5 | I96 A97 Q98 N103 L104 | I96-F100 HydrophobicContact CG2-CD2 3.63Å; I96-F100 HydrophobicContact CG2-CE2 3.64Å; I96-F100 VanDerWaalsContact O-CD2 3.29Å; I96-F100 WeakPolarHBondContact O-CD2 3.48Å; I96-F100 PolarHBondContact O-N 3.17Å; A97-F100 PolarHBondContact O-N 3.22Å; Q98-F100 PolarHBondContact O-N 3.28Å; F100-N103 PolarHBondContact O-N 3.11Å; F100-L104 WeakPolarHBondContact O-CB 3.49Å; F100-L104 PolarHBondContact O-N 2.99Å |
| 101 | T | 75.1 | Confident | 65.8 | Low | 72 Ų | 72 | 96 Ų | 96 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 179.5 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | A97 Q98 L104 K105 | A97-T101 WeakPolarHBondContact O-CB 3.48Å; A97-T101 WeakPolarHBondContact O-CG2 3.36Å; A97-T101 PolarHBondContact O-N 2.75Å; A97-T101 PolarHBondContact O-OG1 2.96Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.45Å; Q98-T101 PolarHBondContact O-N 3.45Å; Q98-T101 PolarHBondContact O-OG1 3.32Å; T101-L104 PolarHBondContact O-N 3.31Å; T101-K105 WeakPolarHBondContact O-CG 3.43Å; T101-K105 PolarHBondContact O-N 2.85Å; T101-K105 VanDerWaalsContact O-N 3.09Å |
| 102 | G | 68.6 | Low | 63.9 | Low | 26 Ų | 26 | 95.8 Ų | 95.8 | 27% | 0.268 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q98 V99 K105 R106 | Q98-G102 PolarHBondContact O-N 3.29Å; V99-G102 PolarHBondContact O-N 3.06Å; G102-K105 PolarHBondContact O-N 2.87Å; G102-R106 PolarHBondContact O-N 3.5Å; G102-R106 VanDerWaalsContact O-N 3.14Å |
| 103 | N | 68.3 | Low | 61.9 | Low | 83 Ų | 83 | 93.9 Ų | 93.9 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.3 | -35.1 | 176.9 | -71 | -18.8 | 0 | 0 | 0 | 112.5 | V99 F100 K105 R106 S107 | V99-N103 WeakPolarHBondContact O-CB 3.43Å; V99-N103 VanDerWaalsContact O-CG 3.3Å; V99-N103 PolarHBondContact O-N 3.38Å; V99-N103 PolarHBondContact O-ND2 2.88Å; F100-N103 PolarHBondContact O-N 3.11Å; N103-K105 VanDerWaalsContact C-N 3.34Å; N103-R106 PolarHBondContact O-N 3.05Å; N103-R106 PolarHBondContact OD1-NH2 3.26Å; N103-S107 PolarHBondContact O-N 3.34Å |
| 104 | L | 63.9 | Low | 60.1 | Low | 111 Ų | 111 | 98.6 Ų | 98.6 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.4 | -31.2 | 175.8 | -132.1 | 88.7 | 0 | 0 | 0 | 113.1 | F100 T101 S107 | F100-L104 WeakPolarHBondContact O-CB 3.49Å; F100-L104 PolarHBondContact O-N 2.99Å; T101-L104 PolarHBondContact O-N 3.31Å; L104-S107 PolarHBondContact O-OG 3.01Å |
| 105 | K | 67.7 | Low | 58.2 | Low | 140 Ų | 140 | 107.2 Ų | 107.2 | 61% | 0.609 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74.7 | -42.3 | 174.9 | -73.1 | 178.1 | -177.6 | 178.2 | 0 | 111.4 | T101 G102 N103 S107 K108 E109 | T101-K105 WeakPolarHBondContact O-CG 3.43Å; T101-K105 PolarHBondContact O-N 2.85Å; T101-K105 VanDerWaalsContact O-N 3.09Å; G102-K105 PolarHBondContact O-N 2.87Å; N103-K105 VanDerWaalsContact C-N 3.34Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.91Å; K105-K108 PolarHBondContact O-N 3.43Å; K105-E109 PolarHBondContact O-N 3.09Å |
| 106 | R | 54.1 | Low | 56.2 | Low | 165 Ų | 165 | 110.2 Ų | 110.2 | 62% | 0.623 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.1 | -32.5 | 176.5 | -81.7 | -172.3 | -93.2 | -171.3 | -5.9 | 113.4 | G102 N103 T110 | G102-R106 PolarHBondContact O-N 3.5Å; G102-R106 VanDerWaalsContact O-N 3.14Å; N103-R106 PolarHBondContact O-N 3.05Å; N103-R106 PolarHBondContact OD1-NH2 3.26Å; R106-T110 PolarHBondContact O-N 3.21Å; R106-T110 PolarHBondContact O-OG1 3.46Å |
| 107 | S | 50.9 | Low | 54.4 | Low | 65 Ų | 65 | 117.6 Ų | 117.6 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.9 | -23.2 | 175.4 | 66.4 | 0 | 0 | 0 | 0 | 114 | N103 L104 K105 S111 | N103-S107 PolarHBondContact O-N 3.34Å; L104-S107 PolarHBondContact O-OG 3.01Å; K105-S107 VanDerWaalsContact C-N 3.26Å; K105-S107 PolarHBondContact O-N 2.91Å; S107-S111 PolarHBondContact O-OG 3.09Å; S107-S111 VanDerWaalsContact O-OG 3.09Å |
| 108 | K | 51.6 | Low | 52.7 | Low | 162 Ų | 162 | 123.8 Ų | 123.8 | 70% | 0.704 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.9 | -31 | 174.9 | -72.5 | -173.6 | 176.6 | -172.8 | 0 | 113 | K105 | K105-K108 PolarHBondContact O-N 3.43Å |
| 109 | E | 51.5 | Low | 50.8 | Low | 164 Ų | 164 | 128.3 Ų | 128.3 | 77% | 0.766 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.3 | -15.6 | -179.5 | -72.7 | 173.7 | 179.3 | 0 | 0 | 113.7 | K105 | K105-E109 PolarHBondContact O-N 3.09Å |
| 110 | T | 43.9 | Very low | 48.9 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 69% | 0.693 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 11 | 178.6 | 39.8 | 0 | 0 | 0 | 0 | 114.3 | R106 P112 | R106-T110 PolarHBondContact O-N 3.21Å; R106-T110 PolarHBondContact O-OG1 3.46Å; T110-P112 WeakPolarHBondContact O-CD 3.34Å |
| 111 | S | 36 | Very low | 47.1 | Very low | 86 Ų | 86 | 130.8 Ų | 130.8 | 60% | 0.601 | 69% | 0.694 | S | S | * | * | trans | -114.1 | 91.4 | 178.5 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | S107 A113 | S107-S111 PolarHBondContact O-OG 3.09Å; S107-S111 VanDerWaalsContact O-OG 3.09Å; S111-A113 PolarHBondContact O-N 2.76Å | ||
| 112 | P | 36.9 | Very low | 45.1 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 71% | 0.712 | S | S | * | * | trans | -74.3 | 125.2 | 173.1 | 30.1 | -30.6 | 0 | 0 | 0 | 110.4 | T110 | T110-P112 WeakPolarHBondContact O-CD 3.34Š| ||
| 113 | A | 31.5 | Very low | 43.6 | Very low | 89 Ų | 89 | 141.8 Ų | 141.8 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | 61.6 | 90 | 146 | 0 | 0 | 0 | 0 | 0 | 119 | S111 | S111-A113 PolarHBondContact O-N 2.76Š| ||
| 114 | I | 37.8 | Very low | 42.1 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | -140.2 | 56.9 | 138.9 | -45.6 | 176.4 | 0 | 0 | 0 | 108.5 | ||||
| 115 | E | 36.5 | Very low | 40.9 | Very low | 190 Ų | 190 | 151 Ų | 151 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -110.3 | 71.7 | 162.1 | -81.8 | -171.8 | 161.7 | 0 | 0 | 107.7 | ||||
| 116 | D | 34.5 | Very low | 39.4 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -170.3 | 89.5 | 164.8 | -106.5 | -19.2 | 0 | 0 | 0 | 109.2 | ||||
| 117 | R | 36.8 | Very low | 38.6 | Very low | 244 Ų | 244 | 153.2 Ų | 153.2 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -176.3 | 5.1 | 156 | -106.6 | 167 | -172 | -157.6 | 1.9 | 116 | K119 | R117-K119 VanDerWaalsContact C-N 3.34Å; R117-K119 PolarHBondContact O-N 3.47Å; R117-K119 VanDerWaalsContact O-N 3.07Å | ||
| 118 | V | 37.3 | Very low | 37.8 | Very low | 145 Ų | 145 | 153.2 Ų | 153.2 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -83.7 | 81.2 | 170.5 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 119 | K | 37.2 | Very low | 37 | Very low | 193 Ų | 193 | 155.8 Ų | 155.8 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -171.6 | 127.9 | 157.2 | -102.7 | 155.3 | -169.7 | -177 | 0 | 109.8 | R117 | R117-K119 VanDerWaalsContact C-N 3.34Å; R117-K119 PolarHBondContact O-N 3.47Å; R117-K119 VanDerWaalsContact O-N 3.07Å | ||
| 120 | S | 35.1 | Very low | 36.3 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | 77.2 | 130.3 | 172.7 | 85.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 121 | T | 34.4 | Very low | 35.8 | Very low | 133 Ų | 133 | 154.8 Ų | 154.8 | 82% | 0.816 | 83% | 0.83 | S | S | * | * | cis | -151.5 | 134 | 19.2 | 37.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 122 | T | 33.1 | Very low | 35.9 | Very low | 133 Ų | 133 | 161.7 Ų | 161.7 | 82% | 0.816 | 84% | 0.843 | S | S | * | * | trans | -65.7 | 124.8 | 165.9 | -50.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 123 | E | 36.5 | Very low | 35.8 | Very low | 197 Ų | 197 | 164.3 Ų | 164.3 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | trans | -159.7 | 118.1 | 147.9 | -114.3 | 172.1 | -159.6 | 0 | 0 | 111.2 | ||||
| 124 | K | 35.9 | Very low | 36.2 | Very low | 194 Ų | 194 | 166.8 Ų | 166.8 | 84% | 0.843 | 85% | 0.85 | S | S | * | * | trans | -88.7 | 138 | 172.2 | -70.8 | 173.9 | 171.6 | 176.8 | 0 | 108.6 | ||||
| 125 | K | 39.1 | Very low | 36.6 | Very low | 192 Ų | 192 | 166.7 Ų | 166.7 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | -178.7 | 109.2 | 138.8 | -101.6 | 163.5 | -176.8 | -177.2 | 0 | 109.1 | ||||
| 126 | E | 36.2 | Very low | 36.7 | Very low | 169 Ų | 169 | 163.4 Ų | 163.4 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | 70.6 | 104.5 | 105.3 | -75.5 | -167 | 164.6 | 0 | 0 | 113.7 | |||||
| 127 | L | 38.1 | Very low | 37.2 | Very low | 184 Ų | 184 | 163.6 Ų | 163.6 | 96% | 0.963 | 84% | 0.838 | S | S | * | * | trans | -166 | 85.6 | 141.8 | -103.7 | 140.8 | 0 | 0 | 0 | 109.1 | ||||
| 128 | G | 34.3 | Very low | 37.2 | Very low | 65 Ų | 65 | 162.6 Ų | 162.6 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | trans | -80.2 | 154 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 129 | K | 35.5 | Very low | 37.8 | Very low | 215 Ų | 215 | 162.5 Ų | 162.5 | 94% | 0.935 | 83% | 0.829 | S | S | * | * | trans | 84.4 | 98 | 159 | -50.5 | 176.1 | -174.5 | 180 | 0 | 116.6 | ||||
| 130 | S | 36 | Very low | 38.2 | Very low | 110 Ų | 110 | 161 Ų | 161 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -154.2 | 99.4 | 138.4 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 131 | T | 32.2 | Very low | 38.6 | Very low | 146 Ų | 146 | 166.5 Ų | 166.5 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | trans | -65.9 | 118.7 | 163.5 | 33.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 132 | R | 39.3 | Very low | 39.3 | Very low | 232 Ų | 232 | 164.3 Ų | 164.3 | 88% | 0.875 | 82% | 0.823 | S | S | * | * | trans | -132.7 | 116.1 | 162 | -121 | 178.2 | -175.3 | 166.4 | 2.2 | 110.1 | ||||
| 133 | E | 35.3 | Very low | 40 | Very low | 177 Ų | 177 | 163.8 Ų | 163.8 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | -58.3 | 128.7 | 177.3 | -60.1 | -178.8 | 160.9 | 0 | 0 | 111.4 | ||||
| 134 | V | 38.7 | Very low | 40.3 | Very low | 140 Ų | 140 | 165.1 Ų | 165.1 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -103.4 | 107.5 | 170.7 | -179.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 135 | K | 45.7 | Very low | 40.9 | Very low | 171 Ų | 171 | 162.2 Ų | 162.2 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | trans | -77.1 | 140.9 | 169.4 | -71.2 | -177.5 | 179.1 | 177.4 | 0 | 110.2 | I137 | K135-I137 PolarHBondContact O-N 3.33Š| ||
| 136 | P | 40.2 | Very low | 41.5 | Very low | 121 Ų | 121 | 163 Ų | 163 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -80 | 121.9 | -177.1 | 30.7 | -31.5 | 0 | 0 | 0 | 111.4 | R138 | P136-R138 PolarHBondContact O-N 2.89Å; P136-R138 VanDerWaalsContact O-N 3.14Å | ||
| 137 | I | 44.4 | Very low | 42.1 | Very low | 159 Ų | 159 | 163.8 Ų | 163.8 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -78.5 | 91.8 | 171.5 | -61 | 169 | 0 | 0 | 0 | 108.2 | K135 | K135-I137 PolarHBondContact O-N 3.33Š| ||
| 138 | R | 36.7 | Very low | 42.6 | Very low | 222 Ų | 222 | 159.6 Ų | 159.6 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -121.9 | 104.4 | 169.5 | -159.3 | 175.9 | -169.8 | 162.8 | 2.5 | 105.3 | P136 | P136-R138 PolarHBondContact O-N 2.89Å; P136-R138 VanDerWaalsContact O-N 3.14Å | ||
| 139 | D | 49.1 | Very low | 43.2 | Very low | 144 Ų | 144 | 159.4 Ų | 159.4 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 162.2 | -2.1 | 153.4 | -80.2 | -12.6 | 0 | 0 | 0 | 116.6 | R141 | D139-R141 PolarHBondContact O-N 3.49Š|
| 140 | Q | 47.2 | Very low | 44.1 | Very low | 162 Ų | 162 | 157.9 Ų | 157.9 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -1.7 | 179.7 | -73.6 | -171.8 | 12.3 | 0 | 0 | 116.4 | ||
| 141 | R | 42.7 | Very low | 44.6 | Very low | 231 Ų | 231 | 160 Ų | 160 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -14.2 | -177.5 | -83.6 | -174.2 | 176.3 | -171.9 | -0.4 | 115 | D139 | D139-R141 PolarHBondContact O-N 3.49Š|
| 142 | A | 48.7 | Very low | 45.4 | Very low | 86 Ų | 86 | 156 Ų | 156 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -88 | -19.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 143 | T | 47.2 | Very low | 46 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -95.4 | -6 | -173.2 | 49.4 | 0 | 0 | 0 | 0 | 115 | ||
| 144 | R | 44.5 | Very low | 46.5 | Very low | 225 Ų | 225 | 146.6 Ų | 146.6 | 85% | 0.849 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -93.1 | -6.1 | -176.6 | -96.4 | -178.4 | 171.7 | -177 | -1.8 | 116.1 | ||
| 145 | I | 48.2 | Very low | 47.2 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -88.4 | -3.6 | -168.2 | -59.6 | 177.1 | 0 | 0 | 0 | 113.7 | ||
| 146 | K | 51.3 | Low | 47.3 | Very low | 208 Ų | 208 | 141.2 Ų | 141.2 | 90% | 0.904 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -93.9 | 18.2 | -177 | -69.4 | -170.6 | 176.6 | -177.7 | 0 | 116.6 | ||
| 147 | K | 50 | Low | 47.7 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -125.3 | 17.8 | -178.9 | -69.9 | -169.4 | 179.6 | -178.1 | 0 | 115.9 | G149 | K147-G149 PolarHBondContact O-N 2.9Š|
| 148 | S | 48.2 | Very low | 47.9 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -3.4 | -174 | 54.1 | 0 | 0 | 0 | 0 | 116.2 | K150 | S148-K150 PolarHBondContact O-N 3.33Š|
| 149 | G | 45.8 | Very low | 48.5 | Very low | 61 Ų | 61 | 134.6 Ų | 134.6 | 63% | 0.629 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -17.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K147 | K147-G149 PolarHBondContact O-N 2.9Š|
| 150 | K | 54.4 | Low | 48.5 | Very low | 183 Ų | 183 | 133.7 Ų | 133.7 | 80% | 0.796 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -14.6 | -175.8 | -67.4 | -171.5 | 178.5 | -172.1 | 0 | 114.5 | S148 | S148-K150 PolarHBondContact O-N 3.33Š|
| 151 | F | 46.9 | Very low | 48.5 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -82.4 | -29.6 | -179.9 | -102.9 | -88.8 | 0 | 0 | 0 | 113.1 | N153 L154 V155 | F151-N153 VanDerWaalsContact C-N 3.33Å; F151-N153 PolarHBondContact O-N 2.9Å; F151-L154 PolarHBondContact O-N 3.33Å; F151-V155 PolarHBondContact O-N 3.06Å |
| 152 | A | 48.3 | Very low | 48.5 | Very low | 61 Ų | 61 | 127.8 Ų | 127.8 | 50% | 0.504 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -65.1 | -35.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I156 | A152-I156 WeakPolarHBondContact O-CG1 3.37Å |
| 153 | N | 52.7 | Low | 48.4 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 62% | 0.615 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -75.7 | -23.1 | 177.5 | -74.3 | -5.1 | 0 | 0 | 0 | 113.5 | F151 S157 | F151-N153 VanDerWaalsContact C-N 3.33Å; F151-N153 PolarHBondContact O-N 2.9Å; N153-S157 PolarHBondContact O-N 2.91Å; N153-S157 VanDerWaalsContact O-N 3.16Å; N153-S157 PolarHBondContact O-OG 3.47Å |
| 154 | L | 46.9 | Very low | 48.5 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 51% | 0.508 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -74.6 | -33.4 | 178.6 | -157.5 | 75.1 | 0 | 0 | 0 | 111.8 | F151 I156 S157 L158 | F151-L154 PolarHBondContact O-N 3.33Å; L154-I156 VanDerWaalsContact C-N 3.34Å; L154-S157 WeakPolarHBondContact CA-OG 3.36Å; L154-S157 PolarHBondContact O-OG 3.46Å; L154-L158 PolarHBondContact O-N 2.9Å |
| 155 | V | 51.4 | Low | 48.6 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 56% | 0.558 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.8 | -25.7 | 178.2 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | F151 | F151-V155 PolarHBondContact O-N 3.06Å |
| 156 | I | 48.6 | Very low | 48.6 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 55% | 0.549 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -81 | -39.8 | 175.8 | -59.5 | 170.8 | 0 | 0 | 0 | 110.6 | A152 L154 L158 K159 | A152-I156 WeakPolarHBondContact O-CG1 3.37Å; L154-I156 VanDerWaalsContact C-N 3.34Å; I156-L158 VanDerWaalsContact C-N 3.29Å; I156-L158 PolarHBondContact O-N 3.04Å; I156-K159 PolarHBondContact O-N 3.4Å |
| 157 | S | 49.7 | Very low | 48.5 | Very low | 66 Ų | 66 | 123 Ų | 123 | 46% | 0.462 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.6 | -16.7 | 179.6 | 37.9 | 0 | 0 | 0 | 0 | 114.8 | N153 L154 | N153-S157 PolarHBondContact O-N 2.91Å; N153-S157 VanDerWaalsContact O-N 3.16Å; N153-S157 PolarHBondContact O-OG 3.47Å; L154-S157 WeakPolarHBondContact CA-OG 3.36Å; L154-S157 PolarHBondContact O-OG 3.46Å |
| 158 | L | 48.4 | Very low | 48.5 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 62% | 0.623 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -15 | 172.1 | -93.3 | 153.1 | 0 | 0 | 0 | 114.1 | L154 I156 T161 | L154-L158 PolarHBondContact O-N 2.9Å; I156-L158 VanDerWaalsContact C-N 3.29Å; I156-L158 PolarHBondContact O-N 3.04Å; L158-T161 PolarHBondContact O-OG1 2.94Å |
| 159 | K | 49.4 | Very low | 48.8 | Very low | 178 Ų | 178 | 120 Ų | 120 | 77% | 0.774 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -18.2 | 177.6 | -74.4 | -174.7 | 175.4 | -175.1 | 0 | 113.4 | I156 | I156-K159 PolarHBondContact O-N 3.4Š|
| 160 | D | 48.8 | Very low | 49.3 | Very low | 125 Ų | 125 | 124 Ų | 124 | 67% | 0.668 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -102.3 | -2.6 | -175.5 | -70.1 | -28.4 | 0 | 0 | 0 | 114.3 | K162 | D160-K162 VanDerWaalsContact C-N 3.29Å; D160-K162 PolarHBondContact O-N 2.97Å |
| 161 | T | 46.3 | Very low | 49.1 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 49% | 0.491 | 64% | 0.643 | S | S | . | * | trans | -76.9 | 86.2 | 170.7 | 50.6 | 0 | 0 | 0 | 0 | 109.9 | L158 Q163 | L158-T161 PolarHBondContact O-OG1 2.94Å; T161-Q163 PolarHBondContact O-N 3.37Å | ||
| 162 | K | 44 | Very low | 49.4 | Very low | 189 Ų | 189 | 119.9 Ų | 119.9 | 82% | 0.822 | 64% | 0.64 | S | S | * | * | trans | -37.8 | 124.6 | 162.7 | -66.2 | 175.1 | 179 | 178.3 | 0 | 110.6 | D160 | D160-K162 VanDerWaalsContact C-N 3.29Å; D160-K162 PolarHBondContact O-N 2.97Å | ||
| 163 | Q | 46.4 | Very low | 49.5 | Very low | 187 Ų | 187 | 122.1 Ų | 122.1 | 87% | 0.874 | 65% | 0.649 | S | S | * | * | trans | 61.1 | 59.4 | 155.9 | -53.4 | 178.9 | 19.6 | 0 | 0 | 116.3 | T161 | T161-Q163 PolarHBondContact O-N 3.37Š| ||
| 164 | L | 49.4 | Very low | 49.6 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 69% | 0.691 | 66% | 0.662 | S | S | * | * | trans | -79.5 | 128.4 | 154 | -90.5 | 144.8 | 0 | 0 | 0 | 108.2 | V166 | L164-V166 PolarHBondContact O-N 3.5Š| ||
| 165 | P | 46.2 | Very low | 50.4 | Low | 104 Ų | 104 | 128.5 Ų | 128.5 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | trans | -58.1 | 127.3 | 176.6 | 24.8 | -31.6 | 0 | 0 | 0 | 108 | I167 | P165-I167 PolarHBondContact O-N 3.38Š| ||
| 166 | V | 47.3 | Very low | 50.6 | Low | 131 Ų | 131 | 129.9 Ų | 129.9 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | trans | -61.3 | 94.6 | 170 | 176.2 | 0 | 0 | 0 | 0 | 106.3 | L164 Q168 | L164-V166 PolarHBondContact O-N 3.5Å; V166-Q168 PolarHBondContact O-N 3.34Å | ||
| 167 | I | 49.4 | Very low | 51.3 | Low | 120 Ų | 120 | 129.3 Ų | 129.3 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | trans | -63.7 | 106.9 | 168.9 | -60.8 | 174.5 | 0 | 0 | 0 | 104.6 | P165 | P165-I167 PolarHBondContact O-N 3.38Š| ||
| 168 | Q | 50.5 | Low | 52.4 | Low | 111 Ų | 111 | 131.3 Ų | 131.3 | 52% | 0.519 | 69% | 0.685 | S | S | . | * | trans | -58 | 128.9 | 171.3 | -65 | -175 | 35.4 | 0 | 0 | 106.8 | V166 N170 Q171 | V166-Q168 PolarHBondContact O-N 3.34Å; Q168-N170 PolarHBondContact O-N 2.9Å; Q168-Q171 HydrophobicContact CB-CG 4.43Å; Q168-Q171 PolarHBondContact O-N 2.87Å | ||
| 169 | P | 54 | Low | 53.9 | Low | 107 Ų | 107 | 131.8 Ų | 131.8 | 70% | 0.695 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -57.3 | -14.6 | -176.5 | 20.9 | -31.7 | 0 | 0 | 0 | 113.3 | ||
| 170 | N | 55.5 | Low | 55.4 | Low | 145 Ų | 145 | 129.9 Ų | 129.9 | 78% | 0.775 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -88.4 | 4.9 | 179.9 | -58.6 | -12.1 | 0 | 0 | 0 | 114.5 | Q168 | Q168-N170 PolarHBondContact O-N 2.9Š|
| 171 | Q | 50.1 | Low | 57.1 | Low | 131 Ų | 131 | 128.2 Ų | 128.2 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -113.3 | 4.3 | -179 | -69.3 | -175.7 | 0.7 | 0 | 0 | 114.5 | Q168 P173 | Q168-Q171 HydrophobicContact CB-CG 4.43Å; Q168-Q171 PolarHBondContact O-N 2.87Å; Q171-P173 VanDerWaalsContact O-CD 3.32Å; Q171-P173 WeakPolarHBondContact O-CD 3.3Å |
| 172 | I | 53.5 | Low | 58.7 | Low | 120 Ų | 120 | 132.1 Ų | 132.1 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -72.3 | 119.5 | 171.3 | -57.6 | 173.2 | 0 | 0 | 0 | 106.7 | E174 | I172-E174 PolarHBondContact O-N 3.22Å; I172-E174 VanDerWaalsContact O-N 3.12Å |
| 173 | P | 51 | Low | 60.8 | Low | 108 Ų | 108 | 129.3 Ų | 129.3 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | trans | -57.7 | 121.7 | 170.9 | -16.8 | 29.5 | 0 | 0 | 0 | 107.5 | Q171 L175 | Q171-P173 VanDerWaalsContact O-CD 3.32Å; Q171-P173 WeakPolarHBondContact O-CD 3.3Å; P173-L175 PolarHBondContact O-N 3.3Å | ||
| 174 | E | 55.8 | Low | 62.7 | Low | 189 Ų | 189 | 123 Ų | 123 | 88% | 0.883 | 64% | 0.642 | S | S | * | * | trans | -54.7 | 108.8 | 168.3 | -78.4 | -174.8 | 159.1 | 0 | 0 | 106.9 | I172 | I172-E174 PolarHBondContact O-N 3.22Å; I172-E174 VanDerWaalsContact O-N 3.12Å | ||
| 175 | L | 62 | Low | 64.3 | Low | 158 Ų | 158 | 124.5 Ų | 124.5 | 83% | 0.827 | 64% | 0.639 | S | S | * | * | trans | -54.3 | 128.9 | 167.8 | -82.7 | 159 | 0 | 0 | 0 | 106 | P173 E177 | P173-L175 PolarHBondContact O-N 3.3Å; L175-E177 PolarHBondContact O-N 3.01Å | ||
| 176 | P | 56.8 | Low | 66.1 | Low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 63% | 0.631 | S | S | * | * | trans | -54.9 | 112.5 | -180 | 17 | -26.5 | 0 | 0 | 0 | 108 | H178 | P176-H178 PolarHBondContact O-N 3.34Š| ||
| 177 | E | 63 | Low | 68.1 | Low | 96 Ų | 96 | 123.9 Ų | 123.9 | 45% | 0.449 | 62% | 0.621 | S | S | . | * | trans | -61.7 | 110.9 | -178.7 | -160.3 | 179.3 | -149.7 | 0 | 0 | 106.3 | L175 E179 R185 | L175-E177 PolarHBondContact O-N 3.01Å; E177-E179 PolarHBondContact O-N 3.09Å; E177-R185 IonicContact OE1-CZ 3.85Å; E177-R185 IonicContact OE1-NE 2.88Å; E177-R185 IonicContact OE1-NH1 3.2Å; E177-R185 PolarHBondContact OE1-NH1 2.93Å | ||
| 178 | H | 73.1 | Confident | 70.1 | Confident | 107 Ų | 107 | 123 Ų | 123 | 50% | 0.495 | 62% | 0.617 | S | S | . | * | trans | -60.4 | 131.2 | -177.3 | -166.2 | -100.9 | 0 | 0 | 0 | 107.4 | P176 Q180 D181 R182 | P176-H178 PolarHBondContact O-N 3.34Å; H178-Q180 VanDerWaalsContact CE1-CD 3.41Å; H178-Q180 PolarHBondContact CE1-OE1 2.98Å; H178-Q180 VanDerWaalsContact CE1-OE1 3.24Å; H178-Q180 WeakPolarHBondContact ND1-CB 3.49Å; H178-Q180 PolarHBondContact ND1-OE1 2.92Å; H178-Q180 PolarHBondContact O-N 3.49Å; H178-D181 WeakPolarHBondContact O-CA 3.36Å; H178-D181 WeakPolarHBondContact O-CB 3.35Å; H178-D181 PolarHBondContact O-N 2.92Å; H178-R182 PolarHBondContact O-N 3.42Å | ||
| 179 | E | 79 | Confident | 72 | Confident | 129 Ų | 129 | 125.5 Ų | 125.5 | 60% | 0.603 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -60.3 | -24.5 | -171 | -167.9 | 166.2 | 146.1 | 0 | 0 | 112.6 | E177 K183 | E177-E179 PolarHBondContact O-N 3.09Å; E179-K183 HydrophobicContact CG-CD 4.44Å; E179-K183 WeakPolarHBondContact O-CB 3.33Å; E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 3.15Å; E179-K183 VanDerWaalsContact OE1-CE 3.32Å; E179-K183 WeakPolarHBondContact OE1-CE 3.49Å; E179-K183 IonicContact OE1-NZ 2.75Å; E179-K183 PolarHBondContact OE1-NZ 3.24Å |
| 180 | Q | 82.1 | Confident | 73.7 | Confident | 138 Ų | 138 | 126.5 Ų | 126.5 | 65% | 0.645 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65 | -40.1 | 170 | -62.5 | 178.2 | -22.1 | 0 | 0 | 112.9 | H178 K183 A184 | H178-Q180 VanDerWaalsContact CE1-CD 3.41Å; H178-Q180 PolarHBondContact CE1-OE1 2.98Å; H178-Q180 VanDerWaalsContact CE1-OE1 3.24Å; H178-Q180 WeakPolarHBondContact ND1-CB 3.49Å; H178-Q180 PolarHBondContact ND1-OE1 2.92Å; H178-Q180 PolarHBondContact O-N 3.49Å; Q180-K183 PolarHBondContact O-N 2.95Å; Q180-A184 VanDerWaalsContact O-CB 3.28Å; Q180-A184 WeakPolarHBondContact O-CB 3.48Å; Q180-A184 PolarHBondContact O-N 2.93Å |
| 181 | D | 83.2 | Confident | 75.4 | Confident | 91 Ų | 91 | 124.3 Ų | 124.3 | 49% | 0.487 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.5 | -40.4 | 178.1 | -70 | -15 | 0 | 0 | 0 | 110.7 | H178 A184 R185 | H178-D181 WeakPolarHBondContact O-CA 3.36Å; H178-D181 WeakPolarHBondContact O-CB 3.35Å; H178-D181 PolarHBondContact O-N 2.92Å; D181-A184 PolarHBondContact O-N 3.49Å; D181-R185 WeakPolarHBondContact O-CB 3.38Å; D181-R185 VanDerWaalsContact O-CG 3.27Å; D181-R185 WeakPolarHBondContact O-CG 3.5Å; D181-R185 PolarHBondContact O-N 2.9Å |
| 182 | R | 81.4 | Confident | 77.3 | Confident | 161 Ų | 161 | 122.2 Ų | 122.2 | 61% | 0.608 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.2 | -44 | 175.3 | -168.2 | 174.1 | 178.2 | 177 | 1.9 | 111.4 | H178 R185 S186 | H178-R182 PolarHBondContact O-N 3.42Å; R182-R185 PolarHBondContact O-N 3.21Å; R182-S186 PolarHBondContact O-N 2.94Å; R182-S186 PolarHBondContact O-OG 3.37Å |
| 183 | K | 86.7 | Confident | 78.8 | Confident | 130 Ų | 130 | 124.1 Ų | 124.1 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.8 | -43 | 174.6 | -74.6 | 173.2 | -175.5 | 162.5 | 0 | 111.9 | E179 Q180 S186 Y187 | E179-K183 HydrophobicContact CG-CD 4.44Å; E179-K183 WeakPolarHBondContact O-CB 3.33Å; E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 3.15Å; E179-K183 VanDerWaalsContact OE1-CE 3.32Å; E179-K183 WeakPolarHBondContact OE1-CE 3.49Å; E179-K183 IonicContact OE1-NZ 2.75Å; E179-K183 PolarHBondContact OE1-NZ 3.24Å; Q180-K183 PolarHBondContact O-N 2.95Å; K183-S186 PolarHBondContact O-N 3.42Å; K183-Y187 WeakPolarHBondContact O-CB 3.42Å; K183-Y187 PolarHBondContact O-N 2.88Å |
| 184 | A | 86 | Confident | 80.7 | Confident | 55 Ų | 55 | 123.6 Ų | 123.6 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.6 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q180 D181 L188 | Q180-A184 VanDerWaalsContact O-CB 3.28Å; Q180-A184 WeakPolarHBondContact O-CB 3.48Å; Q180-A184 PolarHBondContact O-N 2.93Å; D181-A184 PolarHBondContact O-N 3.49Å; A184-L188 VanDerWaalsContact O-CB 3.31Å; A184-L188 WeakPolarHBondContact O-CB 3.25Å; A184-L188 PolarHBondContact O-N 3.31Å |
| 185 | R | 83.6 | Confident | 82.3 | Confident | 164 Ų | 164 | 118.4 Ų | 118.4 | 62% | 0.619 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.2 | -45.5 | 175.4 | -76.3 | 174 | 175 | -166 | -5 | 112.1 | E177 D181 R182 L188 K189 | E177-R185 IonicContact OE1-CZ 3.85Å; E177-R185 IonicContact OE1-NE 2.88Å; E177-R185 IonicContact OE1-NH1 3.2Å; E177-R185 PolarHBondContact OE1-NH1 2.93Å; D181-R185 WeakPolarHBondContact O-CB 3.38Å; D181-R185 VanDerWaalsContact O-CG 3.27Å; D181-R185 WeakPolarHBondContact O-CG 3.5Å; D181-R185 PolarHBondContact O-N 2.9Å; R182-R185 PolarHBondContact O-N 3.21Å; R185-L188 PolarHBondContact O-N 2.78Å; R185-K189 VanDerWaalsContact O-CB 3.29Å; R185-K189 WeakPolarHBondContact O-CB 3.31Å; R185-K189 PolarHBondContact O-N 3.17Å |
| 186 | S | 84.8 | Confident | 83.5 | Confident | 72 Ų | 72 | 116.7 Ų | 116.7 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.9 | -47.8 | 175.9 | -72.5 | 0 | 0 | 0 | 0 | 111.7 | R182 K183 L188 K189 E190 | R182-S186 PolarHBondContact O-N 2.94Å; R182-S186 PolarHBondContact O-OG 3.37Å; K183-S186 PolarHBondContact O-N 3.42Å; S186-L188 PolarHBondContact O-N 3.25Å; S186-K189 PolarHBondContact O-N 3.01Å; S186-E190 WeakPolarHBondContact O-CB 3.4Å; S186-E190 PolarHBondContact O-N 3.26Å |
| 187 | Y | 88.9 | Confident | 85.1 | Confident | 150 Ų | 150 | 112.4 Ų | 112.4 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 177.3 | 177.3 | -102.5 | 0 | 0 | 0 | 112.3 | K183 E190 K191 | K183-Y187 WeakPolarHBondContact O-CB 3.42Å; K183-Y187 PolarHBondContact O-N 2.88Å; Y187-E190 PolarHBondContact O-N 3.47Å; Y187-K191 HydrophobicContact CE1-CD 4.38Å; Y187-K191 VanDerWaalsContact O-CB 3.29Å; Y187-K191 WeakPolarHBondContact O-CB 3.48Å; Y187-K191 PolarHBondContact O-N 2.97Å |
| 188 | L | 91 | Very high | 86.3 | Confident | 101 Ų | 101 | 112.3 Ų | 112.3 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 177.7 | -174.5 | 64.4 | 0 | 0 | 0 | 111.8 | A184 R185 S186 L192 | A184-L188 VanDerWaalsContact O-CB 3.31Å; A184-L188 WeakPolarHBondContact O-CB 3.25Å; A184-L188 PolarHBondContact O-N 3.31Å; R185-L188 PolarHBondContact O-N 2.78Å; S186-L188 PolarHBondContact O-N 3.25Å; L188-L192 HydrophobicContact CD1-CD1 4.34Å; L188-L192 HydrophobicContact CD1-CG 4.34Å; L188-L192 HydrophobicContact CG-CD1 4Å; L188-L192 HydrophobicContact CG-CG 4.42Å; L188-L192 VanDerWaalsContact O-CB 3.28Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 WeakPolarHBondContact O-CG 3.4Å; L188-L192 PolarHBondContact O-N 3.34Å |
| 189 | K | 89.7 | Confident | 87 | Confident | 164 Ų | 164 | 109.6 Ų | 109.6 | 71% | 0.713 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.9 | -44.5 | 177.8 | -174.2 | -178.9 | 179.5 | -176 | 0 | 111.7 | R185 S186 F193 | R185-K189 VanDerWaalsContact O-CB 3.29Å; R185-K189 WeakPolarHBondContact O-CB 3.31Å; R185-K189 PolarHBondContact O-N 3.17Å; S186-K189 PolarHBondContact O-N 3.01Å; K189-F193 WeakPolarHBondContact O-CB 3.3Å; K189-F193 PolarHBondContact O-N 2.96Å |
| 190 | E | 89.7 | Confident | 87.3 | Confident | 127 Ų | 127 | 106.1 Ų | 106.1 | 59% | 0.593 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -50.4 | 176.1 | -174.4 | 173.3 | -164.3 | 0 | 0 | 110.6 | S186 Y187 L192 F193 D194 | S186-E190 WeakPolarHBondContact O-CB 3.4Å; S186-E190 PolarHBondContact O-N 3.26Å; Y187-E190 PolarHBondContact O-N 3.47Å; E190-L192 PolarHBondContact O-N 3.44Å; E190-F193 WeakPolarHBondContact O-CB 3.49Å; E190-F193 PolarHBondContact O-N 3.46Å; E190-F193 VanDerWaalsContact O-N 3.08Å; E190-D194 PolarHBondContact O-N 2.95Å |
| 191 | K | 92 | Very high | 87.7 | Confident | 100 Ų | 100 | 106.7 Ų | 106.7 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 177.9 | -171.7 | 175 | -179.6 | -179.9 | 0 | 113 | Y187 F193 D194 D195 | Y187-K191 HydrophobicContact CE1-CD 4.38Å; Y187-K191 VanDerWaalsContact O-CB 3.29Å; Y187-K191 WeakPolarHBondContact O-CB 3.48Å; Y187-K191 PolarHBondContact O-N 2.97Å; K191-F193 VanDerWaalsContact C-N 3.32Å; K191-F193 PolarHBondContact O-N 3.5Å; K191-D194 PolarHBondContact O-N 2.93Å; K191-D195 WeakPolarHBondContact O-CB 3.48Å; K191-D195 VanDerWaalsContact O-CG 3.28Å; K191-D195 PolarHBondContact O-N 3.3Å |
| 192 | L | 89.9 | Confident | 88 | Confident | 87 Ų | 87 | 108.4 Ų | 108.4 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 175.8 | -76.8 | 171.8 | 0 | 0 | 0 | 111.8 | L188 E190 L196 | L188-L192 HydrophobicContact CD1-CD1 4.34Å; L188-L192 HydrophobicContact CD1-CG 4.34Å; L188-L192 HydrophobicContact CG-CD1 4Å; L188-L192 HydrophobicContact CG-CG 4.42Å; L188-L192 VanDerWaalsContact O-CB 3.28Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 WeakPolarHBondContact O-CG 3.4Å; L188-L192 PolarHBondContact O-N 3.34Å; E190-L192 PolarHBondContact O-N 3.44Å; L192-L196 VanDerWaalsContact O-CB 3.22Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 WeakPolarHBondContact O-CD1 3.38Å; L192-L196 WeakPolarHBondContact O-CG 3.44Å; L192-L196 PolarHBondContact O-N 3.4Å |
| 193 | F | 86.3 | Confident | 88.1 | Confident | 160 Ų | 160 | 107.5 Ų | 107.5 | 70% | 0.702 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -43.4 | 176.8 | -174.5 | -93.8 | 0 | 0 | 0 | 111.4 | K189 E190 K191 G197 | K189-F193 WeakPolarHBondContact O-CB 3.3Å; K189-F193 PolarHBondContact O-N 2.96Å; E190-F193 WeakPolarHBondContact O-CB 3.49Å; E190-F193 PolarHBondContact O-N 3.46Å; E190-F193 VanDerWaalsContact O-N 3.08Å; K191-F193 VanDerWaalsContact C-N 3.32Å; K191-F193 PolarHBondContact O-N 3.5Å; F193-G197 PolarHBondContact O-N 3.45Å |
| 194 | D | 90 | Very high | 88.3 | Confident | 96 Ų | 96 | 106.9 Ų | 106.9 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 176 | -69.7 | -21.3 | 0 | 0 | 0 | 111.9 | E190 K191 L196 G197 E198 | E190-D194 PolarHBondContact O-N 2.95Å; K191-D194 PolarHBondContact O-N 2.93Å; D194-L196 PolarHBondContact O-N 3.15Å; D194-G197 PolarHBondContact O-N 2.87Å; D194-E198 WeakPolarHBondContact O-CB 3.49Å; D194-E198 PolarHBondContact O-N 3.35Å |
| 195 | D | 90.3 | Very high | 88.5 | Confident | 81 Ų | 81 | 110.8 Ų | 110.8 | 43% | 0.433 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.3 | -74.1 | -17.7 | 0 | 0 | 0 | 111.4 | K191 A199 | K191-D195 WeakPolarHBondContact O-CB 3.48Å; K191-D195 VanDerWaalsContact O-CG 3.28Å; K191-D195 PolarHBondContact O-N 3.3Å; D195-A199 VanDerWaalsContact O-CB 3.27Å; D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 3.07Å |
| 196 | L | 87.2 | Confident | 88.8 | Confident | 121 Ų | 121 | 107.3 Ų | 107.3 | 63% | 0.634 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 174.4 | -84.1 | 156.6 | 0 | 0 | 0 | 111.7 | L192 D194 S200 | L192-L196 VanDerWaalsContact O-CB 3.22Å; L192-L196 WeakPolarHBondContact O-CB 3.44Å; L192-L196 WeakPolarHBondContact O-CD1 3.38Å; L192-L196 WeakPolarHBondContact O-CG 3.44Å; L192-L196 PolarHBondContact O-N 3.4Å; D194-L196 PolarHBondContact O-N 3.15Å; L196-S200 WeakPolarHBondContact O-CB 3.41Å; L196-S200 PolarHBondContact O-N 3.05Å |
| 197 | G | 88.4 | Confident | 89 | Confident | 31 Ų | 31 | 108.8 Ų | 108.8 | 32% | 0.32 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | F193 D194 K201 | F193-G197 PolarHBondContact O-N 3.45Å; D194-G197 PolarHBondContact O-N 2.87Å; G197-K201 WeakPolarHBondContact O-CG 3.45Å; G197-K201 PolarHBondContact O-N 3.39Å |
| 198 | E | 90 | Very high | 89 | Confident | 94 Ų | 94 | 106.6 Ų | 106.6 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.9 | -42.1 | 177.6 | -157.2 | -169.7 | -160.9 | 0 | 0 | 111.7 | D194 S200 K201 R202 | D194-E198 WeakPolarHBondContact O-CB 3.49Å; D194-E198 PolarHBondContact O-N 3.35Å; E198-S200 PolarHBondContact O-N 3.28Å; E198-K201 PolarHBondContact O-N 3.09Å; E198-R202 VanDerWaalsContact CD-NH1 3.27Å; E198-R202 WeakPolarHBondContact O-CG 3.31Å; E198-R202 PolarHBondContact O-N 3.48Å; E198-R202 IonicContact OE1-CZ 3.62Å; E198-R202 IonicContact OE1-NH1 3.96Å; E198-R202 IonicContact OE1-NH2 2.78Å; E198-R202 PolarHBondContact OE1-NH2 2.95Å; E198-R202 IonicContact OE2-CZ 3.17Å; E198-R202 IonicContact OE2-NH1 3.48Å; E198-R202 PolarHBondContact OE2-NH1 2.87Å; E198-R202 IonicContact OE2-NH2 3.53Å; E198-R202 PolarHBondContact OE2-NH2 2.87Å |
| 199 | A | 86.8 | Confident | 89 | Confident | 50 Ų | 50 | 107.6 Ų | 107.6 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D195 R202 E203 | D195-A199 VanDerWaalsContact O-CB 3.27Å; D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 3.07Å; A199-R202 PolarHBondContact O-N 2.95Å; A199-E203 PolarHBondContact O-N 3.18Å |
| 200 | S | 85.4 | Confident | 89 | Confident | 55 Ų | 55 | 106.2 Ų | 106.2 | 39% | 0.385 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 177.3 | -173.1 | 0 | 0 | 0 | 0 | 112.2 | L196 E198 E203 Q204 | L196-S200 WeakPolarHBondContact O-CB 3.41Å; L196-S200 PolarHBondContact O-N 3.05Å; E198-S200 PolarHBondContact O-N 3.28Å; S200-E203 PolarHBondContact O-N 3.12Å; S200-Q204 WeakPolarHBondContact O-CG 3.4Å; S200-Q204 PolarHBondContact O-N 3.42Å |
| 201 | K | 91.4 | Very high | 88.8 | Confident | 150 Ų | 150 | 105.4 Ų | 105.4 | 65% | 0.652 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 174.7 | -75.6 | 175.3 | -177.7 | 176.5 | 0 | 112.1 | G197 E198 E203 Q204 E205 | G197-K201 WeakPolarHBondContact O-CG 3.45Å; G197-K201 PolarHBondContact O-N 3.39Å; E198-K201 PolarHBondContact O-N 3.09Å; K201-E203 VanDerWaalsContact C-N 3.33Å; K201-E203 PolarHBondContact O-N 2.92Å; K201-Q204 PolarHBondContact O-N 3.49Å; K201-E205 WeakPolarHBondContact O-CB 3.43Å; K201-E205 PolarHBondContact O-N 3.32Å |
| 202 | R | 88.5 | Confident | 88.7 | Confident | 128 Ų | 128 | 107.7 Ų | 107.7 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.1 | -73.5 | -175.8 | -174.8 | 115.1 | -1.1 | 111.8 | E198 A199 E205 I206 | E198-R202 VanDerWaalsContact CD-NH1 3.27Å; E198-R202 WeakPolarHBondContact O-CG 3.31Å; E198-R202 PolarHBondContact O-N 3.48Å; E198-R202 IonicContact OE1-CZ 3.62Å; E198-R202 IonicContact OE1-NH1 3.96Å; E198-R202 IonicContact OE1-NH2 2.78Å; E198-R202 PolarHBondContact OE1-NH2 2.95Å; E198-R202 IonicContact OE2-CZ 3.17Å; E198-R202 IonicContact OE2-NH1 3.48Å; E198-R202 PolarHBondContact OE2-NH1 2.87Å; E198-R202 IonicContact OE2-NH2 3.53Å; E198-R202 PolarHBondContact OE2-NH2 2.87Å; A199-R202 PolarHBondContact O-N 2.95Å; R202-E205 PolarHBondContact O-N 3.38Å; R202-I206 VanDerWaalsContact O-CG1 3.28Å; R202-I206 WeakPolarHBondContact O-CG1 3.48Å; R202-I206 PolarHBondContact O-N 3.35Å |
| 203 | E | 84.4 | Confident | 88.7 | Confident | 141 Ų | 141 | 107.3 Ų | 107.3 | 66% | 0.659 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.9 | -42.7 | 177.1 | -173.2 | 174.5 | -165.3 | 0 | 0 | 111.9 | A199 S200 K201 E205 I206 L207 | A199-E203 PolarHBondContact O-N 3.18Å; S200-E203 PolarHBondContact O-N 3.12Å; K201-E203 VanDerWaalsContact C-N 3.33Å; K201-E203 PolarHBondContact O-N 2.92Å; E203-E205 VanDerWaalsContact C-N 3.35Å; E203-E205 PolarHBondContact O-N 2.95Å; E203-I206 PolarHBondContact O-N 3.42Å; E203-L207 WeakPolarHBondContact O-CB 3.44Å; E203-L207 PolarHBondContact O-N 2.99Å |
| 204 | Q | 89.5 | Confident | 88.7 | Confident | 117 Ų | 117 | 106.3 Ų | 106.3 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 174.6 | -73.4 | 177.2 | 3.4 | 0 | 0 | 112.2 | S200 K201 L207 L208 | S200-Q204 WeakPolarHBondContact O-CG 3.4Å; S200-Q204 PolarHBondContact O-N 3.42Å; K201-Q204 PolarHBondContact O-N 3.49Å; Q204-L207 PolarHBondContact O-N 2.95Å; Q204-L208 WeakPolarHBondContact O-CB 3.49Å; Q204-L208 WeakPolarHBondContact O-CG 3.37Å; Q204-L208 PolarHBondContact O-N 3.29Å |
| 205 | E | 90.9 | Very high | 88.4 | Confident | 137 Ų | 137 | 104.4 Ų | 104.4 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.8 | -46.6 | 177.1 | -173.7 | 171.8 | -158.7 | 0 | 0 | 111.8 | K201 R202 E203 L207 L208 E209 | K201-E205 WeakPolarHBondContact O-CB 3.43Å; K201-E205 PolarHBondContact O-N 3.32Å; R202-E205 PolarHBondContact O-N 3.38Å; E203-E205 VanDerWaalsContact C-N 3.35Å; E203-E205 PolarHBondContact O-N 2.95Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.28Å; E205-L208 PolarHBondContact O-N 3.19Å; E205-E209 WeakPolarHBondContact O-CB 3.36Å; E205-E209 PolarHBondContact O-N 3.11Å |
| 206 | I | 89.5 | Confident | 88.2 | Confident | 91 Ų | 91 | 106 Ų | 106 | 47% | 0.467 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 175.6 | -68.8 | 166.6 | 0 | 0 | 0 | 110.9 | R202 E203 E209 K210 | R202-I206 VanDerWaalsContact O-CG1 3.28Å; R202-I206 WeakPolarHBondContact O-CG1 3.48Å; R202-I206 PolarHBondContact O-N 3.35Å; E203-I206 PolarHBondContact O-N 3.42Å; I206-E209 PolarHBondContact O-N 2.94Å; I206-K210 HydrophobicContact CG2-CD 4.27Å; I206-K210 WeakPolarHBondContact O-CB 3.49Å; I206-K210 WeakPolarHBondContact O-CG 3.49Å; I206-K210 PolarHBondContact O-N 3Å |
| 207 | L | 88.5 | Confident | 88 | Confident | 104 Ų | 104 | 109.1 Ų | 109.1 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -45.8 | 177.9 | -176.9 | 61.5 | 0 | 0 | 0 | 111.4 | E203 Q204 E205 E209 K210 M211 | E203-L207 WeakPolarHBondContact O-CB 3.44Å; E203-L207 PolarHBondContact O-N 2.99Å; Q204-L207 PolarHBondContact O-N 2.95Å; E205-L207 VanDerWaalsContact C-N 3.29Å; E205-L207 PolarHBondContact O-N 3.28Å; L207-E209 VanDerWaalsContact C-N 3.34Å; L207-E209 PolarHBondContact O-N 3.35Å; L207-K210 PolarHBondContact O-N 3.03Å; L207-M211 HydrophobicContact CG-SD 4.42Å; L207-M211 WeakPolarHBondContact O-CG 3.48Å; L207-M211 PolarHBondContact O-N 2.8Å |
| 208 | L | 89.8 | Confident | 87.8 | Confident | 104 Ų | 104 | 115 Ų | 115 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.4 | -41.1 | 176.3 | -77.1 | 167.9 | 0 | 0 | 0 | 112 | Q204 E205 M211 K212 | Q204-L208 WeakPolarHBondContact O-CB 3.49Å; Q204-L208 WeakPolarHBondContact O-CG 3.37Å; Q204-L208 PolarHBondContact O-N 3.29Å; E205-L208 PolarHBondContact O-N 3.19Å; L208-M211 PolarHBondContact O-N 3.2Å; L208-K212 WeakPolarHBondContact O-CG 3.44Å; L208-K212 PolarHBondContact O-N 3.11Å |
| 209 | E | 90.8 | Very high | 87.6 | Confident | 122 Ų | 122 | 114.7 Ų | 114.7 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64 | -44.3 | 176.4 | -169.9 | 175.8 | -163.8 | 0 | 0 | 111.6 | E205 I206 L207 M211 K212 L213 | E205-E209 WeakPolarHBondContact O-CB 3.36Å; E205-E209 PolarHBondContact O-N 3.11Å; I206-E209 PolarHBondContact O-N 2.94Å; L207-E209 VanDerWaalsContact C-N 3.34Å; L207-E209 PolarHBondContact O-N 3.35Å; E209-M211 VanDerWaalsContact C-N 3.34Å; E209-M211 PolarHBondContact O-N 2.91Å; E209-K212 PolarHBondContact O-N 3.18Å; E209-L213 WeakPolarHBondContact O-CG 3.35Å; E209-L213 PolarHBondContact O-N 3.01Å |
| 210 | K | 90.1 | Very high | 87.5 | Confident | 134 Ų | 134 | 115.8 Ų | 115.8 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.4 | -43.3 | 174 | -76.2 | 176.7 | -180 | 177.4 | 0 | 112.1 | I206 L207 L213 Q214 | I206-K210 HydrophobicContact CG2-CD 4.27Å; I206-K210 WeakPolarHBondContact O-CB 3.49Å; I206-K210 WeakPolarHBondContact O-CG 3.49Å; I206-K210 PolarHBondContact O-N 3Å; L207-K210 PolarHBondContact O-N 3.03Å; K210-L213 PolarHBondContact O-N 3.25Å; K210-Q214 WeakPolarHBondContact O-CB 3.4Å; K210-Q214 PolarHBondContact O-N 2.92Å |
| 211 | M | 85.9 | Confident | 87.4 | Confident | 111 Ų | 111 | 116.8 Ų | 116.8 | 55% | 0.547 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -42.2 | 177.2 | -71.8 | -179.8 | 71.6 | 0 | 0 | 111.9 | L207 L208 E209 Q214 A215 | L207-M211 HydrophobicContact CG-SD 4.42Å; L207-M211 WeakPolarHBondContact O-CG 3.48Å; L207-M211 PolarHBondContact O-N 2.8Å; L208-M211 PolarHBondContact O-N 3.2Å; E209-M211 VanDerWaalsContact C-N 3.34Å; E209-M211 PolarHBondContact O-N 2.91Å; M211-Q214 PolarHBondContact O-N 3.44Å; M211-A215 WeakPolarHBondContact O-CB 3.34Å; M211-A215 PolarHBondContact O-N 2.89Å |
| 212 | K | 89.8 | Confident | 87.1 | Confident | 147 Ų | 147 | 112.6 Ų | 112.6 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61 | -46.1 | 174.7 | -75.1 | 176.3 | -179.4 | 177.3 | 0 | 111.8 | L208 E209 Q214 A215 M216 | L208-K212 WeakPolarHBondContact O-CG 3.44Å; L208-K212 PolarHBondContact O-N 3.11Å; E209-K212 PolarHBondContact O-N 3.18Å; K212-Q214 VanDerWaalsContact C-N 3.31Å; K212-Q214 PolarHBondContact O-N 3.35Å; K212-A215 PolarHBondContact O-N 2.96Å; K212-M216 WeakPolarHBondContact O-CG 3.2Å; K212-M216 PolarHBondContact O-N 3.26Å |
| 213 | L | 89.2 | Confident | 87.2 | Confident | 80 Ų | 80 | 109 Ų | 109 | 42% | 0.419 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 176.1 | -71.8 | 171.7 | 0 | 0 | 0 | 111.8 | E209 K210 M216 R217 | E209-L213 WeakPolarHBondContact O-CG 3.35Å; E209-L213 PolarHBondContact O-N 3.01Å; K210-L213 PolarHBondContact O-N 3.25Å; L213-M216 HydrophobicContact CD2-CE 3.7Å; L213-M216 PolarHBondContact O-N 3.41Å; L213-R217 WeakPolarHBondContact O-CG 3.27Å; L213-R217 PolarHBondContact O-N 3.38Å |
| 214 | Q | 86.7 | Confident | 87.4 | Confident | 139 Ų | 139 | 110.2 Ų | 110.2 | 65% | 0.65 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.9 | -42.2 | 176.9 | -171.7 | 175.6 | 6.1 | 0 | 0 | 112.1 | K210 M211 K212 R217 F218 | K210-Q214 WeakPolarHBondContact O-CB 3.4Å; K210-Q214 PolarHBondContact O-N 2.92Å; M211-Q214 PolarHBondContact O-N 3.44Å; K212-Q214 VanDerWaalsContact C-N 3.31Å; K212-Q214 PolarHBondContact O-N 3.35Å; Q214-R217 PolarHBondContact O-N 2.91Å; Q214-F218 PolarHBondContact O-N 3.26Å |
| 215 | A | 83.7 | Confident | 87.3 | Confident | 56 Ų | 56 | 109.7 Ų | 109.7 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M211 K212 F218 T219 | M211-A215 WeakPolarHBondContact O-CB 3.34Å; M211-A215 PolarHBondContact O-N 2.89Å; K212-A215 PolarHBondContact O-N 2.96Å; A215-F218 PolarHBondContact O-N 3.48Å; A215-T219 WeakPolarHBondContact O-CG2 3.48Å; A215-T219 PolarHBondContact O-N 3.43Å; A215-T219 PolarHBondContact O-OG1 3.3Å |
| 216 | M | 86.2 | Confident | 87.3 | Confident | 115 Ų | 115 | 107.7 Ų | 107.7 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.5 | -41.2 | 173.8 | -70.9 | -166.1 | -49.2 | 0 | 0 | 112.2 | K212 L213 T219 S220 | K212-M216 WeakPolarHBondContact O-CG 3.2Å; K212-M216 PolarHBondContact O-N 3.26Å; L213-M216 HydrophobicContact CD2-CE 3.7Å; L213-M216 PolarHBondContact O-N 3.41Å; M216-T219 WeakPolarHBondContact CA-OG1 3.47Å; M216-T219 PolarHBondContact O-N 3.32Å; M216-T219 PolarHBondContact O-OG1 2.99Å; M216-S220 WeakPolarHBondContact O-CB 3.38Å; M216-S220 PolarHBondContact O-N 3.46Å; M216-S220 PolarHBondContact O-OG 3.39Å |
| 217 | R | 83 | Confident | 87.4 | Confident | 186 Ų | 186 | 108.5 Ų | 108.5 | 70% | 0.702 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.7 | -45 | 174.8 | -72.9 | 175.7 | -177 | -165.4 | 1.4 | 111.5 | L213 Q214 T219 S220 E221 | L213-R217 WeakPolarHBondContact O-CG 3.27Å; L213-R217 PolarHBondContact O-N 3.38Å; Q214-R217 PolarHBondContact O-N 2.91Å; R217-T219 PolarHBondContact O-N 3.35Å; R217-S220 WeakPolarHBondContact CA-OG 3.44Å; R217-S220 PolarHBondContact O-N 3.47Å; R217-S220 PolarHBondContact O-OG 3.45Å; R217-E221 WeakPolarHBondContact O-CB 3.34Å; R217-E221 PolarHBondContact O-N 3.07Å |
| 218 | F | 83.4 | Confident | 87.6 | Confident | 154 Ų | 154 | 109.5 Ų | 109.5 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 178.5 | -175.9 | -95.7 | 0 | 0 | 0 | 112.2 | Q214 A215 E221 S222 | Q214-F218 PolarHBondContact O-N 3.26Å; A215-F218 PolarHBondContact O-N 3.48Å; F218-E221 PolarHBondContact O-N 3.47Å; F218-S222 VanDerWaalsContact O-CB 3.31Å; F218-S222 WeakPolarHBondContact O-CB 3.38Å; F218-S222 PolarHBondContact O-N 2.84Å |
| 219 | T | 86.4 | Confident | 87.6 | Confident | 88 Ų | 88 | 108.5 Ų | 108.5 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 177.5 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | A215 M216 R217 E221 S222 A223 | A215-T219 WeakPolarHBondContact O-CG2 3.48Å; A215-T219 PolarHBondContact O-N 3.43Å; A215-T219 PolarHBondContact O-OG1 3.3Å; M216-T219 WeakPolarHBondContact CA-OG1 3.47Å; M216-T219 PolarHBondContact O-N 3.32Å; M216-T219 PolarHBondContact O-OG1 2.99Å; R217-T219 PolarHBondContact O-N 3.35Å; T219-E221 PolarHBondContact O-N 2.94Å; T219-S222 PolarHBondContact O-N 2.94Å; T219-A223 WeakPolarHBondContact O-CB 3.5Å; T219-A223 PolarHBondContact O-N 3.05Å |
| 220 | S | 84 | Confident | 87.6 | Confident | 73 Ų | 73 | 106.1 Ų | 106.1 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 175.5 | 67 | 0 | 0 | 0 | 0 | 113 | M216 R217 A223 R224 | M216-S220 WeakPolarHBondContact O-CB 3.38Å; M216-S220 PolarHBondContact O-N 3.46Å; M216-S220 PolarHBondContact O-OG 3.39Å; R217-S220 WeakPolarHBondContact CA-OG 3.44Å; R217-S220 PolarHBondContact O-N 3.47Å; R217-S220 PolarHBondContact O-OG 3.45Å; S220-A223 PolarHBondContact O-N 3.31Å; S220-R224 WeakPolarHBondContact O-CB 3.18Å; S220-R224 PolarHBondContact O-N 2.88Å |
| 221 | E | 84.3 | Confident | 87.7 | Confident | 76 Ų | 76 | 106 Ų | 106 | 36% | 0.355 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -73.1 | -36.3 | 178.6 | -176.3 | 60.1 | -159.2 | 0 | 0 | 110.8 | R217 F218 T219 R224 Q225 | R217-E221 WeakPolarHBondContact O-CB 3.34Å; R217-E221 PolarHBondContact O-N 3.07Å; F218-E221 PolarHBondContact O-N 3.47Å; T219-E221 PolarHBondContact O-N 2.94Å; E221-R224 PolarHBondContact O-N 3.23Å; E221-R224 IonicContact OE1-NH1 2.64Å; E221-R224 IonicContact OE2-NH1 3.25Å; E221-R224 PolarHBondContact OE2-NH1 2.97Å; E221-Q225 WeakPolarHBondContact O-CB 3.41Å; E221-Q225 VanDerWaalsContact O-CG 3.25Å; E221-Q225 WeakPolarHBondContact O-CG 3.3Å; E221-Q225 PolarHBondContact O-N 3.32Å; E221-Q225 PolarHBondContact OE1-NE2 2.82Å |
| 222 | S | 85.8 | Confident | 87.9 | Confident | 61 Ų | 61 | 106.8 Ų | 106.8 | 43% | 0.427 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 172.3 | -172.3 | 0 | 0 | 0 | 0 | 112 | F218 T219 Q225 Q226 | F218-S222 VanDerWaalsContact O-CB 3.31Å; F218-S222 WeakPolarHBondContact O-CB 3.38Å; F218-S222 PolarHBondContact O-N 2.84Å; T219-S222 PolarHBondContact O-N 2.94Å; S222-Q225 PolarHBondContact O-N 3.49Å; S222-Q226 PolarHBondContact O-N 3.33Å |
| 223 | A | 88.6 | Confident | 87.8 | Confident | 53 Ų | 53 | 103.3 Ų | 103.3 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T219 S220 Q225 Q226 D227 | T219-A223 WeakPolarHBondContact O-CB 3.5Å; T219-A223 PolarHBondContact O-N 3.05Å; S220-A223 PolarHBondContact O-N 3.31Å; A223-Q225 VanDerWaalsContact C-N 3.29Å; A223-Q225 PolarHBondContact O-N 3Å; A223-Q226 WeakPolarHBondContact O-CB 3.38Å; A223-Q226 PolarHBondContact O-N 2.74Å; A223-Q226 VanDerWaalsContact O-N 3.11Å; A223-D227 PolarHBondContact O-N 3.3Å |
| 224 | R | 88.7 | Confident | 87.8 | Confident | 166 Ų | 166 | 103.7 Ų | 103.7 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.2 | -37.1 | 175.9 | -178.8 | 180 | 172.2 | -128.1 | 1.4 | 113 | S220 E221 K228 | S220-R224 WeakPolarHBondContact O-CB 3.18Å; S220-R224 PolarHBondContact O-N 2.88Å; E221-R224 PolarHBondContact O-N 3.23Å; E221-R224 IonicContact OE1-NH1 2.64Å; E221-R224 IonicContact OE2-NH1 3.25Å; E221-R224 PolarHBondContact OE2-NH1 2.97Å; R224-K228 PolarHBondContact O-N 3.46Å |
| 225 | Q | 89 | Confident | 87.8 | Confident | 107 Ų | 107 | 101.8 Ų | 101.8 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.4 | -38.5 | 175.8 | -74.7 | 178.9 | 13.3 | 0 | 0 | 111.7 | E221 S222 A223 K228 I229 | E221-Q225 WeakPolarHBondContact O-CB 3.41Å; E221-Q225 VanDerWaalsContact O-CG 3.25Å; E221-Q225 WeakPolarHBondContact O-CG 3.3Å; E221-Q225 PolarHBondContact O-N 3.32Å; E221-Q225 PolarHBondContact OE1-NE2 2.82Å; S222-Q225 PolarHBondContact O-N 3.49Å; A223-Q225 VanDerWaalsContact C-N 3.29Å; A223-Q225 PolarHBondContact O-N 3Å; Q225-K228 PolarHBondContact O-N 2.88Å; Q225-I229 WeakPolarHBondContact O-CG1 3.5Å; Q225-I229 PolarHBondContact O-N 3.33Å |
| 226 | Q | 89.3 | Confident | 87.6 | Confident | 94 Ų | 94 | 101.5 Ų | 101.5 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 174.3 | -172.1 | 58.2 | 42.3 | 0 | 0 | 111.2 | S222 A223 K228 I229 D230 | S222-Q226 PolarHBondContact O-N 3.33Å; A223-Q226 WeakPolarHBondContact O-CB 3.38Å; A223-Q226 PolarHBondContact O-N 2.74Å; A223-Q226 VanDerWaalsContact O-N 3.11Å; Q226-K228 VanDerWaalsContact C-N 3.27Å; Q226-K228 PolarHBondContact O-N 3.14Å; Q226-I229 WeakPolarHBondContact O-CA 3.48Å; Q226-I229 WeakPolarHBondContact O-CB 3.33Å; Q226-I229 PolarHBondContact O-N 2.9Å; Q226-D230 PolarHBondContact NE2-OD1 3.07Å; Q226-D230 VanDerWaalsContact NE2-OD1 3.1Å; Q226-D230 PolarHBondContact O-N 3.5Å |
| 227 | D | 91.7 | Very high | 87.4 | Confident | 108 Ų | 108 | 102.5 Ų | 102.5 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.8 | -42 | 176.1 | -65.7 | -23.5 | 0 | 0 | 0 | 111.7 | A223 I229 D230 E231 | A223-D227 PolarHBondContact O-N 3.3Å; D227-I229 VanDerWaalsContact C-N 3.32Å; D227-I229 PolarHBondContact O-N 3.36Å; D227-D230 PolarHBondContact O-N 2.95Å; D227-E231 WeakPolarHBondContact O-CB 3.36Å; D227-E231 PolarHBondContact O-N 3.07Å |
| 228 | K | 92.5 | Very high | 87.2 | Confident | 125 Ų | 125 | 95.2 Ų | 95.2 | 54% | 0.543 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -32.6 | 177.4 | -169.4 | 175.5 | -174.2 | 175.6 | 0 | 112.8 | R224 Q225 Q226 K232 | R224-K228 PolarHBondContact O-N 3.46Å; Q225-K228 PolarHBondContact O-N 2.88Å; Q226-K228 VanDerWaalsContact C-N 3.27Å; Q226-K228 PolarHBondContact O-N 3.14Å; K228-K232 WeakPolarHBondContact O-CG 3.34Å; K228-K232 PolarHBondContact O-N 3.37Å |
| 229 | I | 89.8 | Confident | 86.8 | Confident | 83 Ų | 83 | 95.2 Ų | 95.2 | 43% | 0.426 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.1 | -44.2 | 174.4 | -70.1 | 165.9 | 0 | 0 | 0 | 109.4 | Q225 Q226 D227 E231 K232 I233 | Q225-I229 WeakPolarHBondContact O-CG1 3.5Å; Q225-I229 PolarHBondContact O-N 3.33Å; Q226-I229 WeakPolarHBondContact O-CA 3.48Å; Q226-I229 WeakPolarHBondContact O-CB 3.33Å; Q226-I229 PolarHBondContact O-N 2.9Å; D227-I229 VanDerWaalsContact C-N 3.32Å; D227-I229 PolarHBondContact O-N 3.36Å; I229-E231 PolarHBondContact O-N 2.98Å; I229-K232 PolarHBondContact O-N 3.31Å; I229-I233 HydrophobicContact CG2-CD1 3.74Å; I229-I233 HydrophobicContact CG2-CG1 4.35Å; I229-I233 VanDerWaalsContact O-CG1 3.3Å; I229-I233 WeakPolarHBondContact O-CG1 3.28Å; I229-I233 PolarHBondContact O-N 3.37Å |
| 230 | D | 91.8 | Very high | 85.8 | Confident | 72 Ų | 72 | 98.4 Ų | 98.4 | 39% | 0.385 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 179.3 | -67.1 | -21.2 | 0 | 0 | 0 | 111.7 | Q226 D227 I233 T234 | Q226-D230 PolarHBondContact NE2-OD1 3.07Å; Q226-D230 VanDerWaalsContact NE2-OD1 3.1Å; Q226-D230 PolarHBondContact O-N 3.5Å; D227-D230 PolarHBondContact O-N 2.95Å; D230-I233 PolarHBondContact O-N 3.49Å; D230-T234 WeakPolarHBondContact O-CG2 3.49Å; D230-T234 PolarHBondContact O-N 2.93Å; D230-T234 PolarHBondContact O-OG1 3.01Å |
| 231 | E | 92 | Very high | 84.7 | Confident | 131 Ų | 131 | 102.4 Ų | 102.4 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.1 | -47.2 | 170.5 | -171.7 | -177.4 | -167.9 | 0 | 0 | 111.6 | D227 I229 I233 T234 E235 | D227-E231 WeakPolarHBondContact O-CB 3.36Å; D227-E231 PolarHBondContact O-N 3.07Å; I229-E231 PolarHBondContact O-N 2.98Å; E231-I233 VanDerWaalsContact C-N 3.33Å; E231-I233 PolarHBondContact O-N 2.98Å; E231-T234 WeakPolarHBondContact CA-OG1 3.31Å; E231-T234 PolarHBondContact O-N 3.46Å; E231-T234 PolarHBondContact O-OG1 3.48Å; E231-E235 WeakPolarHBondContact O-CB 3.17Å; E231-E235 PolarHBondContact O-N 3.38Å |
| 232 | K | 90 | Very high | 83.5 | Confident | 128 Ų | 128 | 103.9 Ų | 103.9 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.9 | -36.2 | 176.7 | -75.4 | 180 | 175.6 | -171.5 | 0 | 112.8 | K228 I229 A236 | K228-K232 WeakPolarHBondContact O-CG 3.34Å; K228-K232 PolarHBondContact O-N 3.37Å; I229-K232 PolarHBondContact O-N 3.31Å; K232-A236 VanDerWaalsContact O-CB 3.26Å; K232-A236 WeakPolarHBondContact O-CB 3.38Å; K232-A236 PolarHBondContact O-N 3.33Å |
| 233 | I | 88.6 | Confident | 82 | Confident | 74 Ų | 74 | 110.4 Ų | 110.4 | 38% | 0.379 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 176.3 | -70.9 | 168.7 | 0 | 0 | 0 | 110.1 | I229 D230 E231 A236 K237 | I229-I233 HydrophobicContact CG2-CD1 3.74Å; I229-I233 HydrophobicContact CG2-CG1 4.35Å; I229-I233 VanDerWaalsContact O-CG1 3.3Å; I229-I233 WeakPolarHBondContact O-CG1 3.28Å; I229-I233 PolarHBondContact O-N 3.37Å; D230-I233 PolarHBondContact O-N 3.49Å; E231-I233 VanDerWaalsContact C-N 3.33Å; E231-I233 PolarHBondContact O-N 2.98Å; I233-A236 PolarHBondContact O-N 3.18Å; I233-K237 HydrophobicContact CG2-CD 4.09Å; I233-K237 HydrophobicContact CG2-CG 4.45Å; I233-K237 WeakPolarHBondContact O-CB 3.28Å; I233-K237 VanDerWaalsContact O-CG 3.3Å; I233-K237 WeakPolarHBondContact O-CG 3.37Å; I233-K237 PolarHBondContact O-N 3.04Å |
| 234 | T | 88.3 | Confident | 80.5 | Confident | 89 Ų | 89 | 116.8 Ų | 116.8 | 55% | 0.546 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 177.5 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | D230 E231 K237 G238 | D230-T234 WeakPolarHBondContact O-CG2 3.49Å; D230-T234 PolarHBondContact O-N 2.93Å; D230-T234 PolarHBondContact O-OG1 3.01Å; E231-T234 WeakPolarHBondContact CA-OG1 3.31Å; E231-T234 PolarHBondContact O-N 3.46Å; E231-T234 PolarHBondContact O-OG1 3.48Å; T234-K237 PolarHBondContact O-N 3.41Å; T234-G238 PolarHBondContact O-N 2.95Å |
| 235 | E | 87.5 | Confident | 79 | Confident | 99 Ų | 99 | 117 Ų | 117 | 46% | 0.463 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.1 | -45.9 | 172.6 | -166.2 | -168.3 | 169.5 | 0 | 0 | 111.6 | E231 K237 G238 R239 | E231-E235 WeakPolarHBondContact O-CB 3.17Å; E231-E235 PolarHBondContact O-N 3.38Å; E235-K237 PolarHBondContact O-N 2.95Å; E235-G238 PolarHBondContact O-N 3.12Å; E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 2.73Å; E235-R239 IonicContact OE1-CZ 2.79Å; E235-R239 VanDerWaalsContact OE1-CZ 3.25Å; E235-R239 IonicContact OE1-NE 3.25Å; E235-R239 PolarHBondContact OE1-NE 3.38Å; E235-R239 IonicContact OE1-NH2 2.83Å; E235-R239 PolarHBondContact OE1-NH2 2.96Å |
| 236 | A | 79.5 | Confident | 77.6 | Confident | 50 Ų | 50 | 116 Ų | 116 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K232 I233 R239 K240 | K232-A236 VanDerWaalsContact O-CB 3.26Å; K232-A236 WeakPolarHBondContact O-CB 3.38Å; K232-A236 PolarHBondContact O-N 3.33Å; I233-A236 PolarHBondContact O-N 3.18Å; A236-R239 PolarHBondContact O-N 3.41Å; A236-K240 WeakPolarHBondContact O-CG 3.41Å; A236-K240 PolarHBondContact O-N 3.06Å |
| 237 | K | 82 | Confident | 76.5 | Confident | 136 Ų | 136 | 114.6 Ų | 114.6 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.1 | -40.1 | 173 | -76.5 | 177.2 | 179.1 | 178.6 | 0 | 111.4 | I233 T234 E235 K240 K241 | I233-K237 HydrophobicContact CG2-CD 4.09Å; I233-K237 HydrophobicContact CG2-CG 4.45Å; I233-K237 WeakPolarHBondContact O-CB 3.28Å; I233-K237 VanDerWaalsContact O-CG 3.3Å; I233-K237 WeakPolarHBondContact O-CG 3.37Å; I233-K237 PolarHBondContact O-N 3.04Å; T234-K237 PolarHBondContact O-N 3.41Å; E235-K237 PolarHBondContact O-N 2.95Å; K237-K240 PolarHBondContact O-N 3.4Å; K237-K241 PolarHBondContact O-N 3.1Å |
| 238 | G | 78.5 | Confident | 75.3 | Confident | 33 Ų | 33 | 114.3 Ų | 114.3 | 34% | 0.34 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.5 | -48 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | T234 E235 K240 K241 I242 | T234-G238 PolarHBondContact O-N 2.95Å; E235-G238 PolarHBondContact O-N 3.12Å; G238-K240 VanDerWaalsContact C-N 3.3Å; G238-K240 PolarHBondContact O-N 3.14Å; G238-K241 PolarHBondContact O-N 3.5Å; G238-I242 WeakPolarHBondContact O-CG1 3.35Å; G238-I242 PolarHBondContact O-N 2.75Å; G238-I242 VanDerWaalsContact O-N 3.13Å |
| 239 | R | 74 | Confident | 74.4 | Confident | 153 Ų | 153 | 113.8 Ų | 113.8 | 58% | 0.577 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.3 | -36.2 | 174.5 | -68.5 | 173.9 | -176.6 | -156.2 | 0.1 | 112.7 | E235 A236 R243 | E235-R239 WeakPolarHBondContact O-CG 3.49Å; E235-R239 PolarHBondContact O-N 2.73Å; E235-R239 IonicContact OE1-CZ 2.79Å; E235-R239 VanDerWaalsContact OE1-CZ 3.25Å; E235-R239 IonicContact OE1-NE 3.25Å; E235-R239 PolarHBondContact OE1-NE 3.38Å; E235-R239 IonicContact OE1-NH2 2.83Å; E235-R239 PolarHBondContact OE1-NH2 2.96Å; A236-R239 PolarHBondContact O-N 3.41Å; R239-R243 WeakPolarHBondContact O-CG 3.33Å; R239-R243 PolarHBondContact O-N 3.32Å |
| 240 | K | 65.5 | Low | 73.9 | Confident | 155 Ų | 155 | 113 Ų | 113 | 67% | 0.674 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.8 | -33.8 | 173.5 | -78.6 | -174.3 | 178.4 | -175.5 | 0 | 112.9 | A236 K237 G238 R243 K244 | A236-K240 WeakPolarHBondContact O-CG 3.41Å; A236-K240 PolarHBondContact O-N 3.06Å; K237-K240 PolarHBondContact O-N 3.4Å; G238-K240 VanDerWaalsContact C-N 3.3Å; G238-K240 PolarHBondContact O-N 3.14Å; K240-R243 PolarHBondContact O-N 3.35Å; K240-K244 PolarHBondContact O-N 3.34Å |
| 241 | K | 62.3 | Low | 73.1 | Confident | 157 Ų | 157 | 111.4 Ų | 111.4 | 68% | 0.683 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.1 | -42.8 | 179.1 | -164.1 | 179.5 | 178.4 | -172 | 0 | 111.2 | K237 G238 R243 K244 | K237-K241 PolarHBondContact O-N 3.1Å; G238-K241 PolarHBondContact O-N 3.5Å; K241-R243 VanDerWaalsContact C-N 3.29Å; K241-R243 PolarHBondContact O-N 3.4Å; K241-K244 PolarHBondContact O-N 2.88Å |
| 242 | I | 57.8 | Low | 72.5 | Confident | 108 Ų | 108 | 109.6 Ų | 109.6 | 55% | 0.554 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.7 | -41.2 | 175.9 | -61.6 | 165.4 | 0 | 0 | 0 | 110.7 | G238 K244 E245 | G238-I242 WeakPolarHBondContact O-CG1 3.35Å; G238-I242 PolarHBondContact O-N 2.75Å; G238-I242 VanDerWaalsContact O-N 3.13Å; I242-K244 PolarHBondContact O-N 2.75Å; I242-E245 PolarHBondContact O-N 2.88Å |
| 243 | R | 54.4 | Low | 72 | Confident | 197 Ų | 197 | 106.5 Ų | 106.5 | 74% | 0.743 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.1 | -11.2 | 176.8 | -71.2 | -178.4 | -175.1 | -175.8 | 0.3 | 115.4 | R239 K240 K241 | R239-R243 WeakPolarHBondContact O-CG 3.33Å; R239-R243 PolarHBondContact O-N 3.32Å; K240-R243 PolarHBondContact O-N 3.35Å; K241-R243 VanDerWaalsContact C-N 3.29Å; K241-R243 PolarHBondContact O-N 3.4Å |
| 244 | K | 57.8 | Low | 71.8 | Confident | 187 Ų | 187 | 107.2 Ų | 107.2 | 81% | 0.813 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -90.4 | -16.6 | 175 | -77.3 | -171 | 175.4 | -170 | 0 | 113 | K240 K241 I242 | K240-K244 PolarHBondContact O-N 3.34Å; K241-K244 PolarHBondContact O-N 2.88Å; I242-K244 PolarHBondContact O-N 2.75Å |
| 245 | E | 56.7 | Low | 71.7 | Confident | 170 Ų | 170 | 108.9 Ų | 108.9 | 79% | 0.794 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -86.1 | -27.5 | 178 | -100 | 170.9 | 174.7 | 0 | 0 | 112.7 | I242 | I242-E245 PolarHBondContact O-N 2.88Å |
| 246 | E | 59.1 | Low | 71.7 | Confident | 86 Ų | 86 | 108.6 Ų | 108.6 | 40% | 0.402 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -77.8 | 121.1 | 166.8 | -70.2 | 173.4 | 167.9 | 0 | 0 | 108.6 | T248 | E246-T248 PolarHBondContact O-N 2.79Š|
| 247 | S | 66.2 | Low | 72.2 | Confident | 65 Ų | 65 | 110.8 Ų | 110.8 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | trans | -56 | 136.7 | 171.3 | 69.5 | 0 | 0 | 0 | 0 | 108 | D249 V250 A251 | S247-D249 PolarHBondContact O-N 2.9Å; S247-V250 PolarHBondContact O-N 3.4Å; S247-V250 VanDerWaalsContact OG-CG2 3.25Å; S247-V250 WeakPolarHBondContact OG-CG2 3.06Å; S247-V250 PolarHBondContact OG-N 3.01Å; S247-A251 PolarHBondContact O-N 3.35Å; S247-A251 VanDerWaalsContact O-N 3.13Å | ||
| 248 | T | 68.1 | Low | 72.6 | Confident | 103 Ų | 103 | 110.4 Ų | 110.4 | 63% | 0.632 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -49.6 | -33.7 | -178.6 | 41.7 | 0 | 0 | 0 | 0 | 111.8 | E246 A251 I252 | E246-T248 PolarHBondContact O-N 2.79Å; T248-A251 PolarHBondContact O-N 2.8Å; T248-I252 WeakPolarHBondContact O-CB 3.45Å; T248-I252 WeakPolarHBondContact O-CD1 3.36Å; T248-I252 WeakPolarHBondContact O-CG1 3.33Å; T248-I252 PolarHBondContact O-N 3.04Å |
| 249 | D | 72.3 | Confident | 73.1 | Confident | 113 Ų | 113 | 112.2 Ų | 112.2 | 60% | 0.604 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.9 | -42.2 | 179.3 | -59.1 | -13.1 | 0 | 0 | 0 | 112.2 | S247 I252 S253 | S247-D249 PolarHBondContact O-N 2.9Å; D249-I252 PolarHBondContact O-N 3.15Å; D249-S253 WeakPolarHBondContact O-CB 3.34Å; D249-S253 PolarHBondContact O-N 3.1Å; D249-S253 PolarHBondContact O-OG 2.83Å; D249-S253 VanDerWaalsContact O-OG 3.08Å |
| 250 | V | 79.9 | Confident | 73.9 | Confident | 68 Ų | 68 | 110.4 Ų | 110.4 | 41% | 0.412 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.3 | -41.6 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | S247 I252 S253 Q254 | S247-V250 PolarHBondContact O-N 3.4Å; S247-V250 VanDerWaalsContact OG-CG2 3.25Å; S247-V250 WeakPolarHBondContact OG-CG2 3.06Å; S247-V250 PolarHBondContact OG-N 3.01Å; V250-I252 VanDerWaalsContact C-N 3.34Å; V250-I252 PolarHBondContact O-N 3Å; V250-S253 PolarHBondContact O-N 2.86Å; V250-Q254 HydrophobicContact CG1-CG 4.5Å; V250-Q254 WeakPolarHBondContact O-CG 3.35Å; V250-Q254 PolarHBondContact O-N 3.18Å |
| 251 | A | 75.5 | Confident | 75.1 | Confident | 37 Ų | 37 | 109 Ų | 109 | 31% | 0.306 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.6 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | S247 T248 L255 | S247-A251 PolarHBondContact O-N 3.35Å; S247-A251 VanDerWaalsContact O-N 3.13Å; T248-A251 PolarHBondContact O-N 2.8Å; A251-L255 WeakPolarHBondContact O-CB 3.45Å; A251-L255 PolarHBondContact O-N 3.14Å |
| 252 | I | 77.8 | Confident | 76.5 | Confident | 93 Ų | 93 | 105.8 Ų | 105.8 | 48% | 0.477 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.9 | -45.6 | 174.9 | -70 | 163.5 | 0 | 0 | 0 | 110.4 | T248 D249 V250 Q254 L255 L256 | T248-I252 WeakPolarHBondContact O-CB 3.45Å; T248-I252 WeakPolarHBondContact O-CD1 3.36Å; T248-I252 WeakPolarHBondContact O-CG1 3.33Å; T248-I252 PolarHBondContact O-N 3.04Å; D249-I252 PolarHBondContact O-N 3.15Å; V250-I252 VanDerWaalsContact C-N 3.34Å; V250-I252 PolarHBondContact O-N 3Å; I252-Q254 PolarHBondContact O-N 2.88Å; I252-L255 WeakPolarHBondContact O-CB 3.3Å; I252-L255 PolarHBondContact O-N 3.5Å; I252-L255 VanDerWaalsContact O-N 3.11Å; I252-L256 HydrophobicContact CG2-CD1 3.94Å; I252-L256 HydrophobicContact CG2-CG 4.28Å; I252-L256 WeakPolarHBondContact O-CG 3.41Å; I252-L256 PolarHBondContact O-N 2.94Å |
| 253 | S | 81.2 | Confident | 78.1 | Confident | 64 Ų | 64 | 105.3 Ų | 105.3 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58 | -48.2 | 176.4 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | D249 V250 L255 L256 D257 | D249-S253 WeakPolarHBondContact O-CB 3.34Å; D249-S253 PolarHBondContact O-N 3.1Å; D249-S253 PolarHBondContact O-OG 2.83Å; D249-S253 VanDerWaalsContact O-OG 3.08Å; V250-S253 PolarHBondContact O-N 2.86Å; S253-L255 VanDerWaalsContact C-N 3.25Å; S253-L255 PolarHBondContact O-N 3.5Å; S253-L256 PolarHBondContact O-N 3.37Å; S253-D257 VanDerWaalsContact O-CG 3.3Å; S253-D257 PolarHBondContact O-N 2.92Å |
| 254 | Q | 84.1 | Confident | 79.7 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 42% | 0.416 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -33.6 | 176.1 | -71.7 | -179.5 | 10.7 | 0 | 0 | 112.9 | V250 I252 K258 | V250-Q254 HydrophobicContact CG1-CG 4.5Å; V250-Q254 WeakPolarHBondContact O-CG 3.35Å; V250-Q254 PolarHBondContact O-N 3.18Å; I252-Q254 PolarHBondContact O-N 2.88Å; Q254-K258 WeakPolarHBondContact O-CB 3.33Å; Q254-K258 WeakPolarHBondContact O-CG 3.26Å; Q254-K258 PolarHBondContact O-N 2.69Å; Q254-K258 VanDerWaalsContact O-N 3.07Å |
| 255 | L | 85.3 | Confident | 81.2 | Confident | 123 Ų | 123 | 98.1 Ų | 98.1 | 64% | 0.644 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.5 | -40.4 | 176.9 | -162.8 | 77.5 | 0 | 0 | 0 | 111.4 | A251 I252 S253 K258 S259 | A251-L255 WeakPolarHBondContact O-CB 3.45Å; A251-L255 PolarHBondContact O-N 3.14Å; I252-L255 WeakPolarHBondContact O-CB 3.3Å; I252-L255 PolarHBondContact O-N 3.5Å; I252-L255 VanDerWaalsContact O-N 3.11Å; S253-L255 VanDerWaalsContact C-N 3.25Å; S253-L255 PolarHBondContact O-N 3.5Å; L255-K258 PolarHBondContact O-N 3.43Å; L255-S259 WeakPolarHBondContact O-CB 3.4Å; L255-S259 PolarHBondContact O-N 2.86Å |
| 256 | L | 87.3 | Confident | 82.5 | Confident | 94 Ų | 94 | 97.2 Ų | 97.2 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 174.6 | -70.9 | 173.1 | 0 | 0 | 0 | 111 | I252 S253 K258 S259 H260 | I252-L256 HydrophobicContact CG2-CD1 3.94Å; I252-L256 HydrophobicContact CG2-CG 4.28Å; I252-L256 WeakPolarHBondContact O-CG 3.41Å; I252-L256 PolarHBondContact O-N 2.94Å; S253-L256 PolarHBondContact O-N 3.37Å; L256-K258 PolarHBondContact O-N 3.22Å; L256-S259 CarbonylContact O-C 3.58Å; L256-S259 WeakPolarHBondContact O-CA 3.43Å; L256-S259 WeakPolarHBondContact O-CB 3.33Å; L256-S259 PolarHBondContact O-N 3.1Å; L256-S259 VanDerWaalsContact O-N 3.12Å; L256-H260 PolarHBondContact O-CD2 3.36Å; L256-H260 PolarHBondContact O-N 3.46Å |
| 257 | D | 90.3 | Very high | 83.9 | Confident | 95 Ų | 95 | 97.7 Ų | 97.7 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.5 | -70 | -16.7 | 0 | 0 | 0 | 111.4 | S253 S259 H260 Q261 | S253-D257 VanDerWaalsContact O-CG 3.3Å; S253-D257 PolarHBondContact O-N 2.92Å; D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 PolarHBondContact O-N 3.27Å; D257-H260 PolarHBondContact O-N 3.39Å; D257-Q261 WeakPolarHBondContact O-CG 3.39Å; D257-Q261 PolarHBondContact O-N 3.49Å |
| 258 | K | 90.1 | Very high | 85.1 | Confident | 129 Ų | 129 | 100.5 Ų | 100.5 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -36.9 | 174.2 | -78.6 | 179.2 | -178.8 | 171.9 | 0 | 112.6 | Q254 L255 L256 H260 Q261 L262 | Q254-K258 WeakPolarHBondContact O-CB 3.33Å; Q254-K258 WeakPolarHBondContact O-CG 3.26Å; Q254-K258 PolarHBondContact O-N 2.69Å; Q254-K258 VanDerWaalsContact O-N 3.07Å; L255-K258 PolarHBondContact O-N 3.43Å; L256-K258 PolarHBondContact O-N 3.22Å; K258-H260 VanDerWaalsContact C-N 3.35Å; K258-Q261 PolarHBondContact O-N 3.45Å; K258-L262 WeakPolarHBondContact O-CG 3.46Å; K258-L262 PolarHBondContact O-N 3.49Å |
| 259 | S | 89.1 | Confident | 86 | Confident | 71 Ų | 71 | 100 Ų | 100 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 175.3 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | L255 L256 D257 L262 N263 | L255-S259 WeakPolarHBondContact O-CB 3.4Å; L255-S259 PolarHBondContact O-N 2.86Å; L256-S259 CarbonylContact O-C 3.58Å; L256-S259 WeakPolarHBondContact O-CA 3.43Å; L256-S259 WeakPolarHBondContact O-CB 3.33Å; L256-S259 PolarHBondContact O-N 3.1Å; L256-S259 VanDerWaalsContact O-N 3.12Å; D257-S259 VanDerWaalsContact C-N 3.32Å; D257-S259 PolarHBondContact O-N 3.27Å; S259-L262 PolarHBondContact O-N 3.39Å; S259-N263 WeakPolarHBondContact O-CB 3.49Å; S259-N263 PolarHBondContact O-N 2.95Å |
| 260 | H | 90.8 | Very high | 86.7 | Confident | 115 Ų | 115 | 102.9 Ų | 102.9 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 174.7 | -79.5 | -62.2 | 0 | 0 | 0 | 111.4 | L256 D257 K258 L262 N263 E264 | L256-H260 PolarHBondContact O-CD2 3.36Å; L256-H260 PolarHBondContact O-N 3.46Å; D257-H260 PolarHBondContact O-N 3.39Å; K258-H260 VanDerWaalsContact C-N 3.35Å; H260-L262 VanDerWaalsContact C-N 3.34Å; H260-L262 PolarHBondContact O-N 3.23Å; H260-N263 PolarHBondContact O-N 3.08Å; H260-N263 VanDerWaalsContact O-N 3.11Å; H260-E264 WeakPolarHBondContact O-CG 3.41Å; H260-E264 PolarHBondContact O-N 3.08Å |
| 261 | Q | 91.6 | Very high | 87.2 | Confident | 125 Ų | 125 | 105.5 Ų | 105.5 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.3 | -42.5 | 176.1 | -72.3 | 173.9 | 7.9 | 0 | 0 | 112.8 | D257 K258 N263 E264 M265 | D257-Q261 WeakPolarHBondContact O-CG 3.39Å; D257-Q261 PolarHBondContact O-N 3.49Å; K258-Q261 PolarHBondContact O-N 3.45Å; Q261-N263 VanDerWaalsContact C-N 3.35Å; Q261-E264 PolarHBondContact O-N 2.99Å; Q261-M265 PolarHBondContact O-N 3.48Å |
| 262 | L | 90.8 | Very high | 87.7 | Confident | 90 Ų | 90 | 108.7 Ų | 108.7 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 175.8 | -77.3 | 171.7 | 0 | 0 | 0 | 111.5 | K258 S259 H260 M265 Y266 | K258-L262 WeakPolarHBondContact O-CG 3.46Å; K258-L262 PolarHBondContact O-N 3.49Å; S259-L262 PolarHBondContact O-N 3.39Å; H260-L262 VanDerWaalsContact C-N 3.34Å; H260-L262 PolarHBondContact O-N 3.23Å; L262-M265 HydrophobicContact CD2-CE 3.91Å; L262-M265 PolarHBondContact O-N 3.5Å; L262-Y266 WeakPolarHBondContact O-CD2 3.35Å; L262-Y266 PolarHBondContact O-N 3.36Å |
| 263 | N | 91 | Very high | 88.1 | Confident | 98 Ų | 98 | 110.3 Ų | 110.3 | 52% | 0.524 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -37.5 | -179.8 | -156.6 | 38.7 | 0 | 0 | 0 | 112.2 | S259 H260 Q261 Y266 Q267 | S259-N263 WeakPolarHBondContact O-CB 3.49Å; S259-N263 PolarHBondContact O-N 2.95Å; H260-N263 PolarHBondContact O-N 3.08Å; H260-N263 VanDerWaalsContact O-N 3.11Å; Q261-N263 VanDerWaalsContact C-N 3.35Å; N263-Y266 PolarHBondContact O-N 2.9Å; N263-Q267 VanDerWaalsContact O-CG 3.3Å; N263-Q267 WeakPolarHBondContact O-CG 3.48Å; N263-Q267 PolarHBondContact O-N 3.44Å |
| 264 | E | 89.8 | Confident | 88.3 | Confident | 136 Ų | 136 | 113.3 Ų | 113.3 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 171.5 | -73.8 | 176.8 | 179.3 | 0 | 0 | 111.6 | H260 Q261 Y266 Q267 K268 | H260-E264 WeakPolarHBondContact O-CG 3.41Å; H260-E264 PolarHBondContact O-N 3.08Å; Q261-E264 PolarHBondContact O-N 2.99Å; E264-Y266 PolarHBondContact O-N 3.46Å; E264-Q267 PolarHBondContact O-N 3.49Å; E264-K268 WeakPolarHBondContact O-CB 3.39Å; E264-K268 PolarHBondContact O-N 3.39Å |
| 265 | M | 88.3 | Confident | 88.4 | Confident | 97 Ų | 97 | 113 Ų | 113 | 48% | 0.478 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 175.9 | -170.2 | -179.6 | 70.1 | 0 | 0 | 111.6 | Q261 L262 K268 D269 | Q261-M265 PolarHBondContact O-N 3.48Å; L262-M265 HydrophobicContact CD2-CE 3.91Å; L262-M265 PolarHBondContact O-N 3.5Å; M265-K268 PolarHBondContact O-N 2.99Å; M265-D269 PolarHBondContact O-N 2.91Å |
| 266 | Y | 85.2 | Confident | 88.4 | Confident | 150 Ų | 150 | 109.7 Ų | 109.7 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.3 | -39.1 | 175.3 | -80.3 | -62.8 | 0 | 0 | 0 | 113.2 | L262 N263 E264 R270 | L262-Y266 WeakPolarHBondContact O-CD2 3.35Å; L262-Y266 PolarHBondContact O-N 3.36Å; N263-Y266 PolarHBondContact O-N 2.9Å; E264-Y266 PolarHBondContact O-N 3.46Å; Y266-R270 WeakPolarHBondContact O-CB 3.24Å; Y266-R270 PolarHBondContact O-N 2.93Å; Y266-R270 VanDerWaalsContact O-N 3.1Å |
| 267 | Q | 86.6 | Confident | 88.1 | Confident | 97 Ų | 97 | 109.3 Ų | 109.3 | 45% | 0.453 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -45.7 | 174.9 | -73.5 | -86.8 | 37.3 | 0 | 0 | 110.6 | N263 E264 R270 E271 | N263-Q267 VanDerWaalsContact O-CG 3.3Å; N263-Q267 WeakPolarHBondContact O-CG 3.48Å; N263-Q267 PolarHBondContact O-N 3.44Å; E264-Q267 PolarHBondContact O-N 3.49Å; Q267-R270 WeakPolarHBondContact O-CB 3.38Å; Q267-R270 PolarHBondContact O-N 2.9Å; Q267-R270 VanDerWaalsContact O-N 3.16Å; Q267-E271 WeakPolarHBondContact O-CG 3.27Å; Q267-E271 PolarHBondContact O-N 3.48Å |
| 268 | K | 91.5 | Very high | 88 | Confident | 123 Ų | 123 | 107.2 Ų | 107.2 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 178.7 | -167.6 | -178.1 | 178.9 | -168.7 | 0 | 112.4 | E264 M265 R270 E271 E272 | E264-K268 WeakPolarHBondContact O-CB 3.39Å; E264-K268 PolarHBondContact O-N 3.39Å; M265-K268 PolarHBondContact O-N 2.99Å; K268-R270 PolarHBondContact O-N 2.7Å; K268-E271 PolarHBondContact O-N 2.93Å; K268-E272 VanDerWaalsContact CE-OE1 3.26Å; K268-E272 WeakPolarHBondContact CE-OE1 3.34Å; K268-E272 IonicContact NZ-OE1 3.99Å; K268-E272 WeakPolarHBondContact O-CB 3.22Å; K268-E272 WeakPolarHBondContact O-CG 3.36Å; K268-E272 PolarHBondContact O-N 3.24Å |
| 269 | D | 88.3 | Confident | 87.7 | Confident | 92 Ų | 92 | 106.8 Ų | 106.8 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.6 | -36.9 | 175.3 | -85.9 | 15.2 | 0 | 0 | 0 | 111.8 | M265 H273 | M265-D269 PolarHBondContact O-N 2.91Å; D269-H273 WeakPolarHBondContact O-CB 3.36Å; D269-H273 PolarHBondContact O-N 2.9Å |
| 270 | R | 86.9 | Confident | 87.3 | Confident | 174 Ų | 174 | 111.2 Ų | 111.2 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.3 | -46.1 | 177.3 | -176 | -178.1 | 179.1 | 177.8 | -0.1 | 111.7 | Y266 Q267 K268 H273 E274 | Y266-R270 WeakPolarHBondContact O-CB 3.24Å; Y266-R270 PolarHBondContact O-N 2.93Å; Y266-R270 VanDerWaalsContact O-N 3.1Å; Q267-R270 WeakPolarHBondContact O-CB 3.38Å; Q267-R270 PolarHBondContact O-N 2.9Å; Q267-R270 VanDerWaalsContact O-N 3.16Å; K268-R270 PolarHBondContact O-N 2.7Å; R270-H273 PolarHBondContact O-N 2.96Å; R270-E274 PolarHBondContact O-N 3.3Å |
| 271 | E | 89 | Confident | 86.9 | Confident | 124 Ų | 124 | 110.7 Ų | 110.7 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.3 | -49.1 | 175.5 | -73.3 | 173.5 | -173.3 | 0 | 0 | 110.5 | Q267 K268 H273 E274 T275 | Q267-E271 WeakPolarHBondContact O-CG 3.27Å; Q267-E271 PolarHBondContact O-N 3.48Å; K268-E271 PolarHBondContact O-N 2.93Å; E271-H273 VanDerWaalsContact C-N 3.32Å; E271-H273 PolarHBondContact O-N 3.18Å; E271-E274 PolarHBondContact O-N 2.9Å; E271-E274 VanDerWaalsContact O-N 3.09Å; E271-T275 PolarHBondContact O-N 3.48Å; E271-T275 PolarHBondContact O-OG1 2.91Å |
| 272 | E | 86.6 | Confident | 86.6 | Confident | 104 Ų | 104 | 110.8 Ų | 110.8 | 49% | 0.486 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.4 | -45.3 | 177.7 | -75.3 | -178.7 | -167.7 | 0 | 0 | 111.6 | K268 E274 T275 A276 | K268-E272 VanDerWaalsContact CE-OE1 3.26Å; K268-E272 WeakPolarHBondContact CE-OE1 3.34Å; K268-E272 IonicContact NZ-OE1 3.99Å; K268-E272 WeakPolarHBondContact O-CB 3.22Å; K268-E272 WeakPolarHBondContact O-CG 3.36Å; K268-E272 PolarHBondContact O-N 3.24Å; E272-E274 PolarHBondContact O-N 3.05Å; E272-T275 VanDerWaalsContact CA-OG1 3.3Å; E272-T275 WeakPolarHBondContact CA-OG1 3.29Å; E272-T275 PolarHBondContact O-N 3.42Å; E272-T275 PolarHBondContact O-OG1 3.45Å; E272-A276 WeakPolarHBondContact O-CB 3.39Å; E272-A276 PolarHBondContact O-N 2.83Å |
| 273 | H | 85.7 | Confident | 86 | Confident | 126 Ų | 126 | 111.4 Ų | 111.4 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.3 | -37.4 | 177.1 | -175.5 | -86.3 | 0 | 0 | 0 | 112.9 | D269 R270 E271 A276 L277 | D269-H273 WeakPolarHBondContact O-CB 3.36Å; D269-H273 PolarHBondContact O-N 2.9Å; R270-H273 PolarHBondContact O-N 2.96Å; E271-H273 VanDerWaalsContact C-N 3.32Å; E271-H273 PolarHBondContact O-N 3.18Å; H273-A276 PolarHBondContact O-N 2.83Å; H273-L277 VanDerWaalsContact CE1-CD1 3.44Å; H273-L277 WeakPolarHBondContact CE1-CD1 3.2Å; H273-L277 WeakPolarHBondContact O-CB 3.29Å; H273-L277 WeakPolarHBondContact O-CG 3.46Å; H273-L277 PolarHBondContact O-N 3.43Å |
| 274 | E | 86 | Confident | 85.2 | Confident | 127 Ų | 127 | 113 Ų | 113 | 59% | 0.593 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.7 | -43.2 | 176.4 | -170.5 | 167.2 | -177.5 | 0 | 0 | 111.6 | R270 E271 E272 L277 A278 | R270-E274 PolarHBondContact O-N 3.3Å; E271-E274 PolarHBondContact O-N 2.9Å; E271-E274 VanDerWaalsContact O-N 3.09Å; E272-E274 PolarHBondContact O-N 3.05Å; E274-L277 WeakPolarHBondContact O-CB 3.28Å; E274-L277 PolarHBondContact O-N 3.39Å; E274-A278 PolarHBondContact O-N 3.14Å |
| 275 | T | 87.2 | Confident | 84.5 | Confident | 82 Ų | 82 | 112.5 Ų | 112.5 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 171.8 | 27.6 | 0 | 0 | 0 | 0 | 112.4 | E271 E272 L277 A278 E279 | E271-T275 PolarHBondContact O-N 3.48Å; E271-T275 PolarHBondContact O-OG1 2.91Å; E272-T275 VanDerWaalsContact CA-OG1 3.3Å; E272-T275 WeakPolarHBondContact CA-OG1 3.29Å; E272-T275 PolarHBondContact O-N 3.42Å; E272-T275 PolarHBondContact O-OG1 3.45Å; T275-L277 VanDerWaalsContact C-N 3.28Å; T275-L277 PolarHBondContact O-N 3.02Å; T275-A278 PolarHBondContact O-N 3.49Å; T275-A278 VanDerWaalsContact O-N 3.15Å; T275-E279 PolarHBondContact O-N 2.77Å |
| 276 | A | 84 | Confident | 83.5 | Confident | 55 Ų | 55 | 113.3 Ų | 113.3 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E272 H273 R280 | E272-A276 WeakPolarHBondContact O-CB 3.39Å; E272-A276 PolarHBondContact O-N 2.83Å; H273-A276 PolarHBondContact O-N 2.83Å; A276-R280 VanDerWaalsContact O-CB 3.31Å; A276-R280 WeakPolarHBondContact O-CB 3.31Å; A276-R280 PolarHBondContact O-N 3.35Å; A276-R280 VanDerWaalsContact O-N 3.09Å |
| 277 | L | 82.3 | Confident | 82.3 | Confident | 85 Ų | 85 | 112.6 Ų | 112.6 | 45% | 0.445 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 172.6 | -85.5 | 172.8 | 0 | 0 | 0 | 112 | H273 E274 T275 R280 L281 | H273-L277 VanDerWaalsContact CE1-CD1 3.44Å; H273-L277 WeakPolarHBondContact CE1-CD1 3.2Å; H273-L277 WeakPolarHBondContact O-CB 3.29Å; H273-L277 WeakPolarHBondContact O-CG 3.46Å; H273-L277 PolarHBondContact O-N 3.43Å; E274-L277 WeakPolarHBondContact O-CB 3.28Å; E274-L277 PolarHBondContact O-N 3.39Å; T275-L277 VanDerWaalsContact C-N 3.28Å; T275-L277 PolarHBondContact O-N 3.02Å; L277-R280 PolarHBondContact O-N 3.24Å; L277-L281 WeakPolarHBondContact O-CG 3.32Å; L277-L281 PolarHBondContact O-N 3.02Å |
| 278 | A | 86.6 | Confident | 80.8 | Confident | 51 Ų | 51 | 110.9 Ų | 110.9 | 42% | 0.421 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E274 T275 R280 L281 Q282 | E274-A278 PolarHBondContact O-N 3.14Å; T275-A278 PolarHBondContact O-N 3.49Å; T275-A278 VanDerWaalsContact O-N 3.15Å; A278-R280 VanDerWaalsContact C-N 3.33Å; A278-R280 PolarHBondContact O-N 2.85Å; A278-L281 PolarHBondContact O-N 2.98Å; A278-Q282 PolarHBondContact O-N 3.19Å |
| 279 | E | 83.6 | Confident | 78.9 | Confident | 120 Ų | 120 | 110.3 Ų | 110.3 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.9 | -42.3 | 174.4 | -74.4 | -176.3 | 175.9 | 0 | 0 | 111.8 | T275 L281 Q282 Q283 | T275-E279 PolarHBondContact O-N 2.77Å; E279-L281 VanDerWaalsContact C-N 3.32Å; E279-L281 PolarHBondContact O-N 3.26Å; E279-Q282 PolarHBondContact O-N 2.78Å; E279-Q283 WeakPolarHBondContact O-CB 3.33Å; E279-Q283 WeakPolarHBondContact O-CG 3.45Å; E279-Q283 PolarHBondContact O-N 3.37Å |
| 280 | R | 80.4 | Confident | 77.1 | Confident | 164 Ų | 164 | 112 Ų | 112 | 62% | 0.619 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.9 | -33.9 | 178.3 | -167.2 | 175.8 | -173.5 | 179.6 | 2.6 | 112.4 | A276 L277 A278 K284 | A276-R280 VanDerWaalsContact O-CB 3.31Å; A276-R280 WeakPolarHBondContact O-CB 3.31Å; A276-R280 PolarHBondContact O-N 3.35Å; A276-R280 VanDerWaalsContact O-N 3.09Å; L277-R280 PolarHBondContact O-N 3.24Å; A278-R280 VanDerWaalsContact C-N 3.33Å; A278-R280 PolarHBondContact O-N 2.85Å; R280-K284 WeakPolarHBondContact O-CG 3.46Å; R280-K284 PolarHBondContact O-N 3.44Å; R280-K284 VanDerWaalsContact O-N 3.15Å |
| 281 | L | 83.4 | Confident | 75.2 | Confident | 105 Ų | 105 | 111.1 Ų | 111.1 | 55% | 0.55 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.4 | -44.1 | 173.8 | -77.3 | 168.5 | 0 | 0 | 0 | 111.3 | L277 A278 E279 K284 Q285 | L277-L281 WeakPolarHBondContact O-CG 3.32Å; L277-L281 PolarHBondContact O-N 3.02Å; A278-L281 PolarHBondContact O-N 2.98Å; E279-L281 VanDerWaalsContact C-N 3.32Å; E279-L281 PolarHBondContact O-N 3.26Å; L281-K284 WeakPolarHBondContact O-CB 3.36Å; L281-K284 PolarHBondContact O-N 2.85Å; L281-Q285 WeakPolarHBondContact O-CG 3.28Å; L281-Q285 PolarHBondContact O-N 2.97Å |
| 282 | Q | 84.8 | Confident | 73 | Confident | 126 Ų | 126 | 113.6 Ų | 113.6 | 59% | 0.589 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.3 | -45.1 | 174.1 | -77 | -173.8 | -8.9 | 0 | 0 | 112.2 | A278 E279 K284 Q285 L286 | A278-Q282 PolarHBondContact O-N 3.19Å; E279-Q282 PolarHBondContact O-N 2.78Å; Q282-K284 PolarHBondContact O-N 2.87Å; Q282-Q285 PolarHBondContact O-N 2.89Å; Q282-Q285 VanDerWaalsContact O-N 3.09Å; Q282-L286 WeakPolarHBondContact O-CG 3.38Å; Q282-L286 PolarHBondContact O-N 3.12Å |
| 283 | Q | 79.3 | Confident | 70.9 | Confident | 104 Ų | 104 | 113.7 Ų | 113.7 | 49% | 0.486 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.6 | -31.8 | 175.7 | -76.3 | -174.5 | 16.8 | 0 | 0 | 112.8 | E279 K287 | E279-Q283 WeakPolarHBondContact O-CB 3.33Å; E279-Q283 WeakPolarHBondContact O-CG 3.45Å; E279-Q283 PolarHBondContact O-N 3.37Å; Q283-K287 WeakPolarHBondContact O-CB 3.27Å; Q283-K287 WeakPolarHBondContact O-CD 3.44Å; Q283-K287 WeakPolarHBondContact O-CG 3.32Å; Q283-K287 PolarHBondContact O-N 3Å; Q283-K287 VanDerWaalsContact O-N 3.11Å |
| 284 | K | 74.5 | Confident | 68.7 | Low | 132 Ų | 132 | 111.4 Ų | 111.4 | 57% | 0.574 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.2 | -38.5 | 174 | -81.1 | -177.7 | 177.2 | -173.9 | 0 | 111.9 | R280 L281 Q282 K287 S288 | R280-K284 WeakPolarHBondContact O-CG 3.46Å; R280-K284 PolarHBondContact O-N 3.44Å; R280-K284 VanDerWaalsContact O-N 3.15Å; L281-K284 WeakPolarHBondContact O-CB 3.36Å; L281-K284 PolarHBondContact O-N 2.85Å; Q282-K284 PolarHBondContact O-N 2.87Å; K284-K287 PolarHBondContact O-N 3.49Å; K284-S288 PolarHBondContact O-N 2.99Å; K284-S288 PolarHBondContact O-OG 2.79Å |
| 285 | Q | 73.3 | Confident | 66.6 | Low | 124 Ų | 124 | 113 Ų | 113 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.5 | -45.6 | 176.3 | -69.8 | 177.2 | 10.3 | 0 | 0 | 111.4 | L281 Q282 K287 S288 D289 | L281-Q285 WeakPolarHBondContact O-CG 3.28Å; L281-Q285 PolarHBondContact O-N 2.97Å; Q282-Q285 PolarHBondContact O-N 2.89Å; Q282-Q285 VanDerWaalsContact O-N 3.09Å; Q285-K287 VanDerWaalsContact C-N 3.3Å; Q285-K287 PolarHBondContact O-N 3.45Å; Q285-S288 WeakPolarHBondContact CA-OG 3.42Å; Q285-S288 PolarHBondContact O-N 3.27Å; Q285-S288 VanDerWaalsContact O-N 3.11Å; Q285-S288 PolarHBondContact O-OG 2.66Å; Q285-D289 PolarHBondContact O-N 3.16Å |
| 286 | L | 68 | Low | 64.3 | Low | 114 Ų | 114 | 116.1 Ų | 116.1 | 60% | 0.597 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62 | -37.5 | 175.7 | -67.4 | 168.9 | 0 | 0 | 0 | 112.2 | Q282 D290 | Q282-L286 WeakPolarHBondContact O-CG 3.38Å; Q282-L286 PolarHBondContact O-N 3.12Å; L286-D290 PolarHBondContact O-N 3.47Å |
| 287 | K | 59.8 | Low | 62.1 | Low | 135 Ų | 135 | 119.8 Ų | 119.8 | 59% | 0.587 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.4 | -19.1 | 176.1 | -73.1 | 173.7 | -177.3 | 174.4 | 0 | 114.2 | Q283 K284 Q285 K291 | Q283-K287 WeakPolarHBondContact O-CB 3.27Å; Q283-K287 WeakPolarHBondContact O-CD 3.44Å; Q283-K287 WeakPolarHBondContact O-CG 3.32Å; Q283-K287 PolarHBondContact O-N 3Å; Q283-K287 VanDerWaalsContact O-N 3.11Å; K284-K287 PolarHBondContact O-N 3.49Å; Q285-K287 VanDerWaalsContact C-N 3.3Å; Q285-K287 PolarHBondContact O-N 3.45Å; K287-K291 WeakPolarHBondContact O-CG 3.46Å |
| 288 | S | 56 | Low | 60.1 | Low | 61 Ų | 61 | 123.4 Ų | 123.4 | 43% | 0.427 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -84.1 | -32.1 | 172.4 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | K284 Q285 K291 | K284-S288 PolarHBondContact O-N 2.99Å; K284-S288 PolarHBondContact O-OG 2.79Å; Q285-S288 WeakPolarHBondContact CA-OG 3.42Å; Q285-S288 PolarHBondContact O-N 3.27Å; Q285-S288 VanDerWaalsContact O-N 3.11Å; Q285-S288 PolarHBondContact O-OG 2.66Å; S288-K291 PolarHBondContact O-N 3.43Å |
| 289 | D | 51.1 | Low | 57.7 | Low | 111 Ų | 111 | 128.5 Ų | 128.5 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.4 | -35.9 | 177.6 | -69.4 | -9.7 | 0 | 0 | 0 | 111.6 | Q285 K291 | Q285-D289 PolarHBondContact O-N 3.16Å; D289-K291 PolarHBondContact O-N 3.32Å |
| 290 | D | 49.5 | Very low | 55.8 | Low | 127 Ų | 127 | 131.3 Ų | 131.3 | 68% | 0.679 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -9.1 | 174.9 | -84.7 | -19.1 | 0 | 0 | 0 | 114.3 | L286 | L286-D290 PolarHBondContact O-N 3.47Š|
| 291 | K | 48 | Very low | 53.9 | Low | 156 Ų | 156 | 130.2 Ų | 130.2 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 4 | -179.2 | -75.8 | -162 | 174.6 | -153.3 | 0 | 114.8 | K287 S288 D289 | K287-K291 WeakPolarHBondContact O-CG 3.46Å; S288-K291 PolarHBondContact O-N 3.43Å; D289-K291 PolarHBondContact O-N 3.32Å |
| 292 | Q | 43.7 | Very low | 52.1 | Low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -92.7 | 4.1 | 174.9 | -76.3 | -166 | -28.7 | 0 | 0 | 114.5 | ||
| 293 | S | 41.6 | Very low | 49.8 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 74% | 0.741 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -120 | 6.5 | -178 | 59.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 294 | S | 39.6 | Very low | 48.1 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 55% | 0.552 | 70% | 0.702 | S | S | * | * | trans | -146.7 | 66.5 | -177.9 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 295 | D | 41 | Very low | 46.3 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | trans | -147.5 | 58.6 | 160.5 | -82.9 | -36.9 | 0 | 0 | 0 | 108.5 | ||||
| 296 | I | 39.2 | Very low | 44.8 | Very low | 148 Ų | 148 | 138 Ų | 138 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -120 | 121.4 | 162.2 | -64.1 | 173.9 | 0 | 0 | 0 | 104.9 | ||
| 297 | D | 37.9 | Very low | 43.6 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | 70.7 | 102.4 | 169.7 | -54.4 | -26.2 | 0 | 0 | 0 | 117.5 | ||||
| 298 | N | 41.1 | Very low | 42.4 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | -177.1 | 92.8 | 112.1 | -88.6 | -43.3 | 0 | 0 | 0 | 111.5 | K300 | N298-K300 PolarHBondContact O-N 3.36Š| |||
| 299 | D | 36.6 | Very low | 41.5 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -53.8 | 112.6 | 142 | -83.4 | -34.7 | 0 | 0 | 0 | 108 | ||||
| 300 | K | 42.2 | Very low | 40.9 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 164.8 | 121 | 141 | -91.8 | 164.2 | -173.4 | -178.8 | 0 | 113.5 | N298 | N298-K300 PolarHBondContact O-N 3.36Š| ||
| 301 | I | 40.8 | Very low | 40.2 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | 70.7 | 103.4 | 134.1 | -46.4 | 162.1 | 0 | 0 | 0 | 116.3 | ||||
| 302 | E | 45.6 | Very low | 39.9 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | 175.6 | 106.9 | 104.5 | -86.2 | -166 | 178.2 | 0 | 0 | 111.2 | N304 | E302-N304 PolarHBondContact O-N 3.2Š| |||
| 303 | E | 37.4 | Very low | 39.7 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -61.6 | 114.6 | 162 | -179.2 | 178.4 | -147.3 | 0 | 0 | 109.1 | ||||
| 304 | N | 42.7 | Very low | 39.7 | Very low | 132 Ų | 132 | 149.2 Ų | 149.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -168.3 | 113.8 | 152.3 | -95.7 | -41.9 | 0 | 0 | 0 | 113.7 | E302 | E302-N304 PolarHBondContact O-N 3.2Š| ||
| 305 | Q | 37.4 | Very low | 39.9 | Very low | 160 Ų | 160 | 155 Ų | 155 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 92.4 | 101.5 | 137.5 | -58.8 | -174.1 | 16.7 | 0 | 0 | 121.3 | ||||
| 306 | S | 41.5 | Very low | 40.1 | Very low | 105 Ų | 105 | 154.7 Ų | 154.7 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | 76.2 | 131.4 | 128.6 | 73.8 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 307 | K | 42.1 | Very low | 40.4 | Very low | 192 Ų | 192 | 156 Ų | 156 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | cis | -162.3 | 138.4 | 3.4 | -103 | 167 | -177.4 | 178 | 0 | 106 | ||||
| 308 | P | 35.5 | Very low | 40.9 | Very low | 128 Ų | 128 | 158.5 Ų | 158.5 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -101.3 | 118.3 | 167.2 | 33.5 | -22.7 | 0 | 0 | 0 | 110.1 | ||||
| 309 | S | 37.8 | Very low | 41.4 | Very low | 106 Ų | 106 | 161.7 Ų | 161.7 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -170.2 | 143.8 | 153 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 310 | D | 38.2 | Very low | 42.3 | Very low | 146 Ų | 146 | 160.1 Ų | 160.1 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | 83.1 | 74.6 | 156.5 | -62.8 | -26.3 | 0 | 0 | 0 | 120.9 | ||||
| 311 | S | 34 | Very low | 43.3 | Very low | 107 Ų | 107 | 159.2 Ų | 159.2 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 24.7 | 101.9 | 107 | -179 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 312 | K | 42.2 | Very low | 44.1 | Very low | 208 Ų | 208 | 158.2 Ų | 158.2 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | trans | 173.8 | 64.7 | 130.9 | -73.5 | -147.2 | -170.7 | 165 | 0 | 108.8 | ||||
| 313 | R | 39.7 | Very low | 44.8 | Very low | 241 Ų | 241 | 161.7 Ų | 161.7 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -123.7 | 120.9 | 171.3 | -137.3 | 173 | -176.4 | -173.4 | 0 | 109.9 | ||||
| 314 | S | 41.1 | Very low | 45.6 | Very low | 92 Ų | 92 | 164.9 Ų | 164.9 | 64% | 0.643 | 83% | 0.829 | S | S | * | * | trans | 54.7 | 87.2 | 166.1 | 65.2 | 0 | 0 | 0 | 0 | 117.9 | L316 | S314-L316 PolarHBondContact O-N 3.48Š| ||
| 315 | K | 43.4 | Very low | 45.8 | Very low | 200 Ų | 200 | 166.5 Ų | 166.5 | 87% | 0.87 | 84% | 0.835 | S | S | * | * | trans | -81.1 | 71 | 140.6 | -71.3 | -158.8 | 179.3 | -177.6 | 0 | 109 | K317 | K315-K317 PolarHBondContact O-N 3.37Š| ||
| 316 | L | 45.1 | Very low | 46.2 | Very low | 154 Ų | 154 | 166.8 Ų | 166.8 | 81% | 0.806 | 84% | 0.84 | S | S | * | * | trans | -71.7 | 82.2 | 156.7 | -100.1 | 151.4 | 0 | 0 | 0 | 106.2 | S314 Q318 | S314-L316 PolarHBondContact O-N 3.48Å; L316-Q318 VanDerWaalsContact C-N 3.27Å; L316-Q318 PolarHBondContact O-N 3.2Å | ||
| 317 | K | 47.4 | Very low | 46.5 | Very low | 175 Ų | 175 | 170.3 Ų | 170.3 | 76% | 0.761 | 85% | 0.846 | S | S | * | * | trans | -68.8 | 95.9 | 161.3 | -77.8 | -165.7 | 174 | -170.3 | 0 | 106.2 | K315 R319 | K315-K317 PolarHBondContact O-N 3.37Å; K317-R319 PolarHBondContact O-N 2.91Å | ||
| 318 | Q | 47.2 | Very low | 46.7 | Very low | 186 Ų | 186 | 169 Ų | 169 | 87% | 0.869 | 85% | 0.846 | S | S | * | * | trans | -49.2 | 106.3 | 159.3 | -79.4 | 177.6 | -25.8 | 0 | 0 | 107.3 | L316 | L316-Q318 VanDerWaalsContact C-N 3.27Å; L316-Q318 PolarHBondContact O-N 3.2Å | ||
| 319 | R | 52.4 | Low | 47.4 | Very low | 228 Ų | 228 | 171.6 Ų | 171.6 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -75 | 131 | 164.8 | -80.2 | -178.8 | 167.2 | 176.5 | -3.6 | 106.6 | K317 L321 | K317-R319 PolarHBondContact O-N 2.91Å; R319-L321 PolarHBondContact O-N 3.33Å |
| 320 | P | 54.7 | Low | 48.1 | Very low | 124 Ų | 124 | 175.9 Ų | 175.9 | 81% | 0.805 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 131.1 | 173.2 | 28.8 | -31.7 | 0 | 0 | 0 | 108.3 | ||
| 321 | L | 62.9 | Low | 48.8 | Very low | 160 Ų | 160 | 178.1 Ų | 178.1 | 84% | 0.838 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 144 | 170.7 | -74.2 | 161.2 | 0 | 0 | 0 | 109.3 | R319 | R319-L321 PolarHBondContact O-N 3.33Š|
| 322 | P | 58.9 | Low | 49.9 | Very low | 119 Ų | 119 | 183.5 Ų | 183.5 | 77% | 0.773 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 138.9 | 173.2 | 2.1 | 11.7 | 0 | 0 | 0 | 109 | ||
| 323 | R | 59.6 | Low | 50.6 | Low | 248 Ų | 248 | 181.5 Ų | 181.5 | 94% | 0.936 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 140.9 | 167.5 | -73.8 | -178.7 | 175.4 | 169.7 | -2.2 | 108.9 | ||
| 324 | L | 54.7 | Low | 51.6 | Low | 251 Ų | 251 | 176.1 Ų | 176.1 | 100% | 1.314 | 86% | 0.861 | S | S | * | * | trans | -41.4 | 0 | -177.6 | -77.8 | 156.6 | 0 | 0 | 0 | 114.6 |
Retrieved 324 of 324 residues in 48.3 ms
(Link to these results)