| 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 | 44.6 | Very low | 57.8 | Low | 237 Ų | 237 | 187.5 Ų | 187.5 | 100% | 1.167 | 88% | 0.883 | S | S | * | * | 0 | 106 | 0 | -67.2 | -74.8 | 176.4 | 0 | 0 | 107.5 | |||||
| 2 | P | 46.4 | Very low | 57.3 | Low | 131 Ų | 131 | 185.3 Ų | 185.3 | 85% | 0.851 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 132.1 | 179.4 | 32.1 | -28.9 | 0 | 0 | 0 | 109.7 | G4 | P2-G4 PolarHBondContact O-N 3.48Š|
| 3 | C | 52.5 | Low | 56.5 | Low | 125 Ų | 125 | 179.9 Ų | 179.9 | 85% | 0.845 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 123.2 | 175.4 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 4 | G | 59.1 | Low | 55.5 | Low | 68 Ų | 68 | 175.4 Ų | 175.4 | 70% | 0.701 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 137.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P2 | P2-G4 PolarHBondContact O-N 3.48Š|
| 5 | K | 65.4 | Low | 55.1 | Low | 181 Ų | 181 | 170.7 Ų | 170.7 | 79% | 0.787 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 126.6 | 175.3 | -69.9 | 173 | 177.9 | 175.6 | 0 | 109.7 | F7 | K5-F7 HydrophobicContact CB-CE2 4.39Å; K5-F7 PolarHBondContact O-N 3.17Å |
| 6 | N | 60.8 | Low | 54.4 | Low | 166 Ų | 166 | 170.6 Ų | 170.6 | 89% | 0.888 | 85% | 0.853 | S | S | * | * | trans | -80.9 | 106.6 | 176.3 | -70.1 | -7.1 | 0 | 0 | 0 | 110.5 | ||||
| 7 | F | 62 | Low | 54.4 | Low | 182 Ų | 182 | 169.5 Ų | 169.5 | 80% | 0.798 | 85% | 0.845 | S | S | * | * | trans | -82.9 | 121.3 | 168.8 | -67.9 | -79.3 | 0 | 0 | 0 | 109.9 | K5 R9 | K5-F7 HydrophobicContact CB-CE2 4.39Å; K5-F7 PolarHBondContact O-N 3.17Å; F7-R9 PolarHBondContact O-N 2.7Å; F7-R9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | R | 65.3 | Low | 54.2 | Low | 255 Ų | 255 | 169.1 Ų | 169.1 | 96% | 0.962 | 85% | 0.846 | S | S | * | * | trans | -70.9 | 104.9 | 174.2 | -133.1 | 177.4 | -175.2 | 164.4 | 0.3 | 108.2 | ||||
| 9 | R | 63.7 | Low | 54 | Low | 243 Ų | 243 | 170.2 Ų | 170.2 | 92% | 0.917 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 131.7 | 170 | -88.8 | -175.9 | 166.4 | 165.5 | -4.4 | 109.6 | F7 | F7-R9 PolarHBondContact O-N 2.7Å; F7-R9 VanDerWaalsContact O-N 3.16Å |
| 10 | R | 57.3 | Low | 54.1 | Low | 240 Ų | 240 | 166.6 Ų | 166.6 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 135.9 | 172.9 | -160.5 | 175.1 | 155.8 | 103.4 | 2.4 | 107.9 | ||
| 11 | R | 58.4 | Low | 54.3 | Low | 235 Ų | 235 | 165 Ų | 165 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 126.3 | 178.5 | -154.5 | 178.8 | -163.9 | 177.5 | 2.5 | 107.5 | S13 | R11-S13 PolarHBondContact O-N 3.19Š|
| 12 | D | 51.8 | Low | 55.1 | Low | 161 Ų | 161 | 156 Ų | 156 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -68.7 | 115.4 | 169.6 | -70.2 | -41.6 | 0 | 0 | 0 | 107.8 | S14 | D12-S14 PolarHBondContact O-N 3.48Š| ||
| 13 | S | 46.6 | Very low | 56 | Low | 115 Ų | 115 | 152.4 Ų | 152.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -79.5 | 116.6 | 173 | 53.5 | 0 | 0 | 0 | 0 | 108.1 | R11 | R11-S13 PolarHBondContact O-N 3.19Š| ||
| 14 | S | 42.5 | Very low | 57 | Low | 116 Ų | 116 | 150 Ų | 150 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -57.3 | 131.7 | 167.3 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | D12 | D12-S14 PolarHBondContact O-N 3.48Š| ||
| 15 | D | 50 | Low | 58 | Low | 105 Ų | 105 | 153.3 Ų | 153.3 | 56% | 0.561 | 75% | 0.749 | S | S | * | * | trans | -35.8 | 127.4 | 160 | -168.9 | 19.5 | 0 | 0 | 0 | 114.7 | E17 | D15-E17 WeakPolarHBondContact OD1-CG 3.21Å; D15-E17 PolarHBondContact OD1-N 3.22Å; D15-E17 VanDerWaalsContact OD1-N 3.17Å | ||
| 16 | D | 43.4 | Very low | 58.8 | Low | 169 Ų | 169 | 149.9 Ų | 149.9 | 90% | 0.904 | 74% | 0.736 | S | S | * | * | trans | -141 | 75.6 | 152.9 | -104.7 | -32.3 | 0 | 0 | 0 | 104.7 | D18 | D16-D18 PolarHBondContact O-N 3.29Š| ||
| 17 | E | 54.6 | Low | 60.1 | Low | 153 Ų | 153 | 146.1 Ų | 146.1 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | trans | -61.1 | 117.4 | 160.9 | -81.8 | 170.8 | -168.9 | 0 | 0 | 108.6 | D15 | D15-E17 WeakPolarHBondContact OD1-CG 3.21Å; D15-E17 PolarHBondContact OD1-N 3.22Å; D15-E17 VanDerWaalsContact OD1-N 3.17Å | ||
| 18 | D | 51 | Low | 61.4 | Low | 162 Ų | 162 | 145.5 Ų | 145.5 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 154.1 | 14.9 | 142 | -75.9 | -31.3 | 0 | 0 | 0 | 117.8 | D16 | D16-D18 PolarHBondContact O-N 3.29Š|
| 19 | E | 51.4 | Low | 62.5 | Low | 190 Ų | 190 | 135.6 Ų | 135.6 | 89% | 0.888 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -123.9 | 0.9 | -178.2 | -118.5 | 178 | -165.4 | 0 | 0 | 119.8 | ||
| 20 | D | 55 | Low | 63.9 | Low | 98 Ų | 98 | 129.7 Ų | 129.7 | 52% | 0.524 | 66% | 0.662 | S | S | . | * | trans | -147.5 | 37.5 | -169.4 | -114.3 | -0.1 | 0 | 0 | 0 | 116.8 | G22 T23 T24 | D20-G22 PolarHBondContact O-N 3.13Å; D20-T23 WeakPolarHBondContact CB-OG1 3.23Å; D20-T23 PolarHBondContact O-N 2.88Å; D20-T23 PolarHBondContact O-OG1 2.92Å; D20-T23 WeakPolarHBondContact OD1-CG2 3.08Å; D20-T23 PolarHBondContact OD1-OG1 2.96Å; D20-T23 PolarHBondContact OD2-OG1 3.26Å; D20-T24 VanDerWaalsContact O-CG2 3.23Å; D20-T24 WeakPolarHBondContact O-CG2 3.19Å; D20-T24 PolarHBondContact O-N 3.24Å; D20-T24 PolarHBondContact O-OG1 3.5Å; D20-T24 VanDerWaalsContact O-OG1 3.13Å | ||
| 21 | N | 59.3 | Low | 65.6 | Low | 133 Ų | 133 | 121.6 Ų | 121.6 | 71% | 0.711 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.4 | -33.5 | 176.4 | -138.6 | 11.6 | 0 | 0 | 0 | 112 | T24 E25 | N21-T24 WeakPolarHBondContact CA-OG1 3.43Å; N21-T24 PolarHBondContact O-OG1 2.85Å; N21-E25 WeakPolarHBondContact O-CG 3.18Å; N21-E25 PolarHBondContact O-N 3.22Å |
| 22 | G | 60.5 | Low | 67.3 | Low | 49 Ų | 49 | 115 Ų | 115 | 51% | 0.505 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.9 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D20 E25 E26 | D20-G22 PolarHBondContact O-N 3.13Å; G22-E25 PolarHBondContact O-N 3.1Å; G22-E26 WeakPolarHBondContact O-CG 3.38Å; G22-E26 PolarHBondContact O-N 3.42Å; G22-E26 VanDerWaalsContact O-N 3.1Å |
| 23 | T | 64.8 | Low | 69.3 | Low | 54 Ų | 54 | 113 Ų | 113 | 33% | 0.331 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -72.8 | -31.2 | 178.8 | 68.8 | 0 | 0 | 0 | 0 | 111.5 | D20 E26 V27 | D20-T23 WeakPolarHBondContact CB-OG1 3.23Å; D20-T23 PolarHBondContact O-N 2.88Å; D20-T23 PolarHBondContact O-OG1 2.92Å; D20-T23 WeakPolarHBondContact OD1-CG2 3.08Å; D20-T23 PolarHBondContact OD1-OG1 2.96Å; D20-T23 PolarHBondContact OD2-OG1 3.26Å; T23-E26 PolarHBondContact O-N 3.21Å; T23-V27 WeakPolarHBondContact O-CB 3.26Å; T23-V27 WeakPolarHBondContact O-CG2 3.45Å; T23-V27 PolarHBondContact O-N 3.34Å |
| 24 | T | 74.9 | Confident | 71.4 | Confident | 75 Ų | 75 | 110.2 Ų | 110.2 | 46% | 0.46 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.7 | -36.9 | 174.2 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | D20 N21 V27 R28 | D20-T24 VanDerWaalsContact O-CG2 3.23Å; D20-T24 WeakPolarHBondContact O-CG2 3.19Å; D20-T24 PolarHBondContact O-N 3.24Å; D20-T24 PolarHBondContact O-OG1 3.5Å; D20-T24 VanDerWaalsContact O-OG1 3.13Å; N21-T24 WeakPolarHBondContact CA-OG1 3.43Å; N21-T24 PolarHBondContact O-OG1 2.85Å; T24-V27 PolarHBondContact O-N 2.86Å; T24-R28 VanDerWaalsContact O-CB 3.26Å; T24-R28 WeakPolarHBondContact O-CB 3.47Å; T24-R28 PolarHBondContact O-N 3.39Å |
| 25 | E | 78.6 | Confident | 73.9 | Confident | 137 Ų | 137 | 111 Ų | 111 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68 | -41.5 | 172.2 | -72.9 | -158.9 | 167.6 | 0 | 0 | 112.3 | N21 G22 V27 R28 S29 | N21-E25 WeakPolarHBondContact O-CG 3.18Å; N21-E25 PolarHBondContact O-N 3.22Å; G22-E25 PolarHBondContact O-N 3.1Å; E25-V27 VanDerWaalsContact C-N 3.35Å; E25-V27 PolarHBondContact O-N 3.35Å; E25-R28 PolarHBondContact O-N 3Å; E25-S29 PolarHBondContact O-N 3.47Å; E25-S29 PolarHBondContact O-OG 3.38Å |
| 26 | E | 83.4 | Confident | 75.9 | Confident | 109 Ų | 109 | 112 Ų | 112 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.3 | -37.1 | 174.1 | -73.9 | -174 | -164.5 | 0 | 0 | 113.3 | G22 T23 R28 S29 K30 | G22-E26 WeakPolarHBondContact O-CG 3.38Å; G22-E26 PolarHBondContact O-N 3.42Å; G22-E26 VanDerWaalsContact O-N 3.1Å; T23-E26 PolarHBondContact O-N 3.21Å; E26-R28 VanDerWaalsContact C-N 3.35Å; E26-S29 WeakPolarHBondContact CA-OG 3.5Å; E26-S29 PolarHBondContact O-OG 3.12Å; E26-K30 WeakPolarHBondContact O-CB 3.22Å; E26-K30 WeakPolarHBondContact O-CD 3.47Å; E26-K30 WeakPolarHBondContact O-CG 3.22Å; E26-K30 PolarHBondContact O-N 2.92Å; E26-K30 VanDerWaalsContact O-N 3.12Å; E26-K30 IonicContact OE2-NZ 3.62Å |
| 27 | V | 87.3 | Confident | 78.2 | Confident | 87 Ų | 87 | 108.6 Ų | 108.6 | 53% | 0.527 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.4 | -39.3 | 175.2 | 170 | 0 | 0 | 0 | 0 | 109.7 | T23 T24 E25 K30 V31 | T23-V27 WeakPolarHBondContact O-CB 3.26Å; T23-V27 WeakPolarHBondContact O-CG2 3.45Å; T23-V27 PolarHBondContact O-N 3.34Å; T24-V27 PolarHBondContact O-N 2.86Å; E25-V27 VanDerWaalsContact C-N 3.35Å; E25-V27 PolarHBondContact O-N 3.35Å; V27-K30 PolarHBondContact O-N 3.16Å; V27-V31 WeakPolarHBondContact O-CB 3.41Å; V27-V31 VanDerWaalsContact O-CG2 3.22Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.11Å |
| 28 | R | 88.9 | Confident | 79.9 | Confident | 170 Ų | 170 | 107.2 Ų | 107.2 | 64% | 0.642 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.8 | -43.7 | 177 | -173.1 | 175.9 | 178 | 166.3 | 0.4 | 111.9 | T24 E25 E26 V31 E32 | T24-R28 VanDerWaalsContact O-CB 3.26Å; T24-R28 WeakPolarHBondContact O-CB 3.47Å; T24-R28 PolarHBondContact O-N 3.39Å; E25-R28 PolarHBondContact O-N 3Å; E26-R28 VanDerWaalsContact C-N 3.35Å; R28-V31 PolarHBondContact O-N 2.9Å; R28-E32 IonicContact NE-OE1 3.39Å; R28-E32 PolarHBondContact NE-OE1 3.23Å; R28-E32 WeakPolarHBondContact O-CG 3.44Å; R28-E32 PolarHBondContact O-N 3.29Å |
| 29 | S | 89.7 | Confident | 81.7 | Confident | 47 Ų | 47 | 102.5 Ų | 102.5 | 33% | 0.329 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 176.4 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | E25 E26 V31 E32 E33 | E25-S29 PolarHBondContact O-N 3.47Å; E25-S29 PolarHBondContact O-OG 3.38Å; E26-S29 WeakPolarHBondContact CA-OG 3.5Å; E26-S29 PolarHBondContact O-OG 3.12Å; S29-V31 VanDerWaalsContact C-N 3.27Å; S29-V31 PolarHBondContact O-N 3.45Å; S29-E32 PolarHBondContact O-N 3.5Å; S29-E32 VanDerWaalsContact O-N 3.11Å; S29-E33 WeakPolarHBondContact O-CG 3.37Å; S29-E33 PolarHBondContact O-N 2.85Å |
| 30 | K | 92.4 | Very high | 83.4 | Confident | 119 Ų | 119 | 100.1 Ų | 100.1 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 174.1 | -72.6 | 166.8 | -172.5 | 156.3 | 0 | 112.6 | E26 V27 A34 | E26-K30 WeakPolarHBondContact O-CB 3.22Å; E26-K30 WeakPolarHBondContact O-CD 3.47Å; E26-K30 WeakPolarHBondContact O-CG 3.22Å; E26-K30 PolarHBondContact O-N 2.92Å; E26-K30 VanDerWaalsContact O-N 3.12Å; E26-K30 IonicContact OE2-NZ 3.62Å; V27-K30 PolarHBondContact O-N 3.16Å; K30-A34 WeakPolarHBondContact O-CB 3.44Å; K30-A34 PolarHBondContact O-N 3.49Å |
| 31 | V | 93.6 | Very high | 85 | Confident | 70 Ų | 70 | 105 Ų | 105 | 42% | 0.424 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.5 | -37.8 | 175.9 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | V27 R28 S29 A34 K35 | V27-V31 WeakPolarHBondContact O-CB 3.41Å; V27-V31 VanDerWaalsContact O-CG2 3.22Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.11Å; R28-V31 PolarHBondContact O-N 2.9Å; S29-V31 VanDerWaalsContact C-N 3.27Å; S29-V31 PolarHBondContact O-N 3.45Å; V31-A34 PolarHBondContact O-N 3.1Å; V31-K35 HydrophobicContact CG1-CD 4.46Å; V31-K35 WeakPolarHBondContact O-CG 3.41Å; V31-K35 PolarHBondContact O-N 3.03Å |
| 32 | E | 92.6 | Very high | 86.4 | Confident | 97 Ų | 97 | 105.8 Ų | 105.8 | 45% | 0.453 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 174.8 | -74.9 | 174.5 | -172.3 | 0 | 0 | 111 | R28 S29 A34 K35 E36 | R28-E32 IonicContact NE-OE1 3.39Å; R28-E32 PolarHBondContact NE-OE1 3.23Å; R28-E32 WeakPolarHBondContact O-CG 3.44Å; R28-E32 PolarHBondContact O-N 3.29Å; S29-E32 PolarHBondContact O-N 3.5Å; S29-E32 VanDerWaalsContact O-N 3.11Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.47Å; E32-K35 WeakPolarHBondContact O-CB 3.37Å; E32-K35 PolarHBondContact O-N 3.34Å; E32-K35 VanDerWaalsContact O-N 3.1Å; E32-E36 WeakPolarHBondContact O-CG 3.49Å; E32-E36 PolarHBondContact O-N 3Å |
| 33 | E | 93.8 | Very high | 87.5 | Confident | 119 Ų | 119 | 115 Ų | 115 | 56% | 0.556 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -56.9 | -42.6 | 173.1 | -71.9 | 178.2 | -177.2 | 0 | 0 | 112.1 | S29 K35 E36 L37 | S29-E33 WeakPolarHBondContact O-CG 3.37Å; S29-E33 PolarHBondContact O-N 2.85Å; E33-K35 PolarHBondContact O-N 2.93Å; E33-E36 PolarHBondContact O-N 3.31Å; E33-L37 WeakPolarHBondContact O-CG 3.38Å; E33-L37 PolarHBondContact O-N 2.67Å |
| 34 | A | 92 | Very high | 88.2 | Confident | 55 Ų | 55 | 121.5 Ų | 121.5 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.3 | -36.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K30 V31 E32 Q38 | K30-A34 WeakPolarHBondContact O-CB 3.44Å; K30-A34 PolarHBondContact O-N 3.49Å; V31-A34 PolarHBondContact O-N 3.1Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.47Å; A34-Q38 WeakPolarHBondContact O-CB 3.46Å; A34-Q38 PolarHBondContact O-N 2.94Å |
| 35 | K | 94.2 | Very high | 88.3 | Confident | 133 Ų | 133 | 123.4 Ų | 123.4 | 58% | 0.578 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.7 | -39.2 | 173.9 | -78.7 | 175.1 | 179.6 | 174 | 0 | 111.4 | V31 E32 E33 Q38 S39 | V31-K35 HydrophobicContact CG1-CD 4.46Å; V31-K35 WeakPolarHBondContact O-CG 3.41Å; V31-K35 PolarHBondContact O-N 3.03Å; E32-K35 WeakPolarHBondContact O-CB 3.37Å; E32-K35 PolarHBondContact O-N 3.34Å; E32-K35 VanDerWaalsContact O-N 3.1Å; E33-K35 PolarHBondContact O-N 2.93Å; K35-Q38 WeakPolarHBondContact O-CB 3.47Å; K35-Q38 PolarHBondContact O-N 3.02Å; K35-S39 WeakPolarHBondContact O-CB 3.46Å; K35-S39 PolarHBondContact O-N 2.97Å |
| 36 | E | 92.8 | Very high | 88.4 | Confident | 127 Ų | 127 | 120.3 Ų | 120.3 | 59% | 0.593 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.5 | -47.3 | 175.3 | -72.9 | -176.2 | 177.7 | 0 | 0 | 111.4 | E32 E33 Q38 S39 L40 | E32-E36 WeakPolarHBondContact O-CG 3.49Å; E32-E36 PolarHBondContact O-N 3Å; E33-E36 PolarHBondContact O-N 3.31Å; E36-Q38 VanDerWaalsContact C-N 3.28Å; E36-Q38 PolarHBondContact O-N 2.88Å; E36-S39 WeakPolarHBondContact O-CA 3.44Å; E36-S39 WeakPolarHBondContact O-CB 3.5Å; E36-S39 PolarHBondContact O-N 3.34Å; E36-S39 PolarHBondContact O-OG 3.31Å; E36-L40 WeakPolarHBondContact O-CG 3.44Å; E36-L40 PolarHBondContact O-N 2.97Å |
| 37 | L | 91.3 | Very high | 88.1 | Confident | 97 Ų | 97 | 119.4 Ų | 119.4 | 51% | 0.508 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -60 | -37.4 | 174 | -73.2 | 175.2 | 0 | 0 | 0 | 112.4 | E33 S39 R41 | E33-L37 WeakPolarHBondContact O-CG 3.38Å; E33-L37 PolarHBondContact O-N 2.67Å; L37-S39 VanDerWaalsContact C-N 3.34Å; L37-R41 WeakPolarHBondContact O-CG 3.23Å; L37-R41 PolarHBondContact O-N 3.23Å |
| 38 | Q | 89.9 | Confident | 87.7 | Confident | 123 Ų | 123 | 116.9 Ų | 116.9 | 58% | 0.575 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.9 | -40 | 173.9 | -168.9 | -178.4 | 27.1 | 0 | 0 | 111 | A34 K35 E36 R41 K42 | A34-Q38 WeakPolarHBondContact O-CB 3.46Å; A34-Q38 PolarHBondContact O-N 2.94Å; K35-Q38 WeakPolarHBondContact O-CB 3.47Å; K35-Q38 PolarHBondContact O-N 3.02Å; E36-Q38 VanDerWaalsContact C-N 3.28Å; E36-Q38 PolarHBondContact O-N 2.88Å; Q38-R41 PolarHBondContact O-N 3.18Å; Q38-K42 WeakPolarHBondContact O-CG 3.46Å; Q38-K42 PolarHBondContact O-N 3.09Å |
| 39 | S | 89.2 | Confident | 87 | Confident | 64 Ų | 64 | 115.9 Ų | 115.9 | 45% | 0.448 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.6 | -40.8 | 177.9 | 86.6 | 0 | 0 | 0 | 0 | 112 | K35 E36 L37 R41 K42 | K35-S39 WeakPolarHBondContact O-CB 3.46Å; K35-S39 PolarHBondContact O-N 2.97Å; E36-S39 WeakPolarHBondContact O-CA 3.44Å; E36-S39 WeakPolarHBondContact O-CB 3.5Å; E36-S39 PolarHBondContact O-N 3.34Å; E36-S39 PolarHBondContact O-OG 3.31Å; L37-S39 VanDerWaalsContact C-N 3.34Å; S39-R41 VanDerWaalsContact C-N 3.28Å; S39-R41 PolarHBondContact O-N 3.38Å; S39-K42 WeakPolarHBondContact O-CB 3.33Å; S39-K42 PolarHBondContact O-N 3.4Å; S39-K42 VanDerWaalsContact O-N 3.09Å |
| 40 | L | 86.7 | Confident | 86.3 | Confident | 139 Ų | 139 | 116.9 Ų | 116.9 | 73% | 0.728 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66 | -28.6 | 175 | -68.5 | 171.5 | 0 | 0 | 0 | 112.9 | E36 | E36-L40 WeakPolarHBondContact O-CG 3.44Å; E36-L40 PolarHBondContact O-N 2.97Å |
| 41 | R | 89.4 | Confident | 85.7 | Confident | 201 Ų | 201 | 111.6 Ų | 111.6 | 76% | 0.758 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -80.2 | -15.4 | 174.1 | -69.6 | 174.8 | -169.9 | -177.2 | 4.8 | 113.2 | L37 Q38 S39 R43 | L37-R41 WeakPolarHBondContact O-CG 3.23Å; L37-R41 PolarHBondContact O-N 3.23Å; Q38-R41 PolarHBondContact O-N 3.18Å; S39-R41 VanDerWaalsContact C-N 3.28Å; S39-R41 PolarHBondContact O-N 3.38Å; R41-R43 PolarHBondContact O-N 3.17Å |
| 42 | K | 87.9 | Confident | 84.9 | Confident | 150 Ų | 150 | 114 Ų | 114 | 65% | 0.652 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -66.6 | 121.8 | 175.6 | -70.1 | 177.7 | -177.9 | 179.3 | 0 | 108 | Q38 S39 Q44 | Q38-K42 WeakPolarHBondContact O-CG 3.46Å; Q38-K42 PolarHBondContact O-N 3.09Å; S39-K42 WeakPolarHBondContact O-CB 3.33Å; S39-K42 PolarHBondContact O-N 3.4Å; S39-K42 VanDerWaalsContact O-N 3.09Å; K42-Q44 PolarHBondContact O-N 3.4Å |
| 43 | R | 84.6 | Confident | 84.2 | Confident | 241 Ų | 241 | 116.7 Ų | 116.7 | 91% | 0.909 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 135.1 | 173.5 | -64 | -177.8 | 177.2 | -172.5 | -1.8 | 108.4 | R41 S45 | R41-R43 PolarHBondContact O-N 3.17Å; R43-S45 PolarHBondContact O-N 3.21Å |
| 44 | Q | 79.1 | Confident | 83.7 | Confident | 192 Ų | 192 | 115.2 Ų | 115.2 | 90% | 0.897 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 120.7 | 170.1 | 58.1 | -176.1 | -13 | 0 | 0 | 109.2 | K42 | K42-Q44 PolarHBondContact O-N 3.4Š|
| 45 | S | 77.5 | Confident | 82.8 | Confident | 115 Ų | 115 | 116.1 Ų | 116.1 | 80% | 0.804 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 135 | 168.9 | 52.9 | 0 | 0 | 0 | 0 | 108.3 | R43 | R43-S45 PolarHBondContact O-N 3.21Š|
| 46 | G | 79.1 | Confident | 82.1 | Confident | 72 Ų | 72 | 116.2 Ų | 116.2 | 74% | 0.742 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 169.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 47 | V | 78 | Confident | 80.9 | Confident | 90 Ų | 90 | 119.4 Ų | 119.4 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -76.1 | 132.5 | 173.5 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | A51 L52 | V47-A51 HydrophobicContact CG1-CB 3.66Å; V47-L52 HydrophobicContact CB-CD2 4.1Å; V47-L52 HydrophobicContact CB-CG 4.09Å; V47-L52 HydrophobicContact CG1-CD2 3.92Å; V47-L52 HydrophobicContact CG1-CG 3.8Å |
| 48 | S | 78.3 | Confident | 79.7 | Confident | 33 Ų | 33 | 118.1 Ų | 118.1 | 23% | 0.231 | 62% | 0.624 | C | S | . | * | P | Polyproline II helix | trans | -66 | 151.7 | 177.9 | 62 | 0 | 0 | 0 | 0 | 111.3 | T50 A51 L52 | S48-T50 PolarHBondContact O-N 3.4Å; S48-T50 PolarHBondContact OG-OG1 2.94Å; S48-A51 PolarHBondContact O-N 3.49Å; S48-A51 VanDerWaalsContact O-N 3.09Å; S48-A51 VanDerWaalsContact OG-CB 3.31Å; S48-A51 WeakPolarHBondContact OG-CB 3.49Å; S48-A51 PolarHBondContact OG-N 3.09Å; S48-L52 PolarHBondContact O-N 3.34Å |
| 49 | I | 75 | Confident | 78.7 | Confident | 150 Ų | 150 | 116.2 Ų | 116.2 | 77% | 0.769 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -57.7 | -37.3 | -178.5 | -61.1 | 166.6 | 0 | 0 | 0 | 110.9 | L52 L53 | I49-L52 PolarHBondContact O-N 3.34Å; I49-L53 PolarHBondContact O-N 3.18Å |
| 50 | T | 75 | Confident | 77.3 | Confident | 68 Ų | 68 | 118.1 Ų | 118.1 | 42% | 0.417 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.7 | -40.9 | 177 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | S48 L52 L53 V54 | S48-T50 PolarHBondContact O-N 3.4Å; S48-T50 PolarHBondContact OG-OG1 2.94Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L53 PolarHBondContact O-N 2.97Å; T50-V54 WeakPolarHBondContact O-CB 3.35Å; T50-V54 WeakPolarHBondContact O-CG2 3.43Å; T50-V54 PolarHBondContact O-N 3.17Å |
| 51 | A | 79 | Confident | 76 | Confident | 7 Ų | 7 | 120.4 Ų | 120.4 | 6% | 0.058 | 64% | 0.64 | C | S | . | * | H | α-helix | trans | -68.8 | -32.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V47 S48 G55 E56 | V47-A51 HydrophobicContact CG1-CB 3.66Å; S48-A51 PolarHBondContact O-N 3.49Å; S48-A51 VanDerWaalsContact O-N 3.09Å; S48-A51 VanDerWaalsContact OG-CB 3.31Å; S48-A51 WeakPolarHBondContact OG-CB 3.49Å; S48-A51 PolarHBondContact OG-N 3.09Å; A51-G55 WeakPolarHBondContact O-CA 3.43Å; A51-G55 PolarHBondContact O-N 3.24Å; A51-E56 WeakPolarHBondContact CB-O 3.21Å |
| 52 | L | 77.6 | Confident | 74.4 | Confident | 120 Ų | 120 | 113 Ų | 113 | 63% | 0.628 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.6 | -37.9 | 172 | -73.4 | 172.6 | 0 | 0 | 0 | 112.4 | V47 S48 I49 T50 | V47-L52 HydrophobicContact CB-CD2 4.1Å; V47-L52 HydrophobicContact CB-CG 4.09Å; V47-L52 HydrophobicContact CG1-CD2 3.92Å; V47-L52 HydrophobicContact CG1-CG 3.8Å; S48-L52 PolarHBondContact O-N 3.34Å; I49-L52 PolarHBondContact O-N 3.34Å; T50-L52 VanDerWaalsContact C-N 3.34Å |
| 53 | L | 77.9 | Confident | 72.9 | Confident | 154 Ų | 154 | 111.2 Ų | 111.2 | 81% | 0.806 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.8 | -41.4 | 177.9 | -175.6 | 67.2 | 0 | 0 | 0 | 112.2 | I49 T50 | I49-L53 PolarHBondContact O-N 3.18Å; T50-L53 PolarHBondContact O-N 2.97Å |
| 54 | V | 84.1 | Confident | 71.6 | Confident | 89 Ų | 89 | 106 Ų | 106 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -83.1 | -24.5 | -177.8 | 176.9 | 0 | 0 | 0 | 0 | 111.9 | T50 E56 | T50-V54 WeakPolarHBondContact O-CB 3.35Å; T50-V54 WeakPolarHBondContact O-CG2 3.43Å; T50-V54 PolarHBondContact O-N 3.17Å; V54-E56 HydrophobicContact CG1-CB 4.04Å; V54-E56 PolarHBondContact O-N 2.99Å |
| 55 | G | 73 | Confident | 70.6 | Confident | 73 Ų | 73 | 102.1 Ų | 102.1 | 75% | 0.753 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 75 | 9.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A51 | A51-G55 WeakPolarHBondContact O-CA 3.43Å; A51-G55 PolarHBondContact O-N 3.24Å |
| 56 | E | 78.4 | Confident | 69.6 | Low | 135 Ų | 135 | 101.3 Ų | 101.3 | 63% | 0.631 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -123.2 | 141.1 | -179.9 | -167.7 | 175.2 | 176.4 | 0 | 0 | 110.8 | A51 V54 L58 | A51-E56 WeakPolarHBondContact CB-O 3.21Å; V54-E56 HydrophobicContact CG1-CB 4.04Å; V54-E56 PolarHBondContact O-N 2.99Å; E56-L58 PolarHBondContact O-N 3.15Å |
| 57 | K | 67.8 | Low | 69 | Low | 194 Ų | 194 | 99.3 Ų | 99.3 | 84% | 0.843 | 55% | 0.549 | S | S | * | . | trans | -72.3 | 101 | 176.2 | -74.8 | -173.7 | 179.8 | -178.9 | 0 | 109.5 | ||||
| 58 | L | 65.3 | Low | 68.6 | Low | 71 Ų | 71 | 97 Ų | 97 | 37% | 0.372 | 54% | 0.536 | S | S | . | . | trans | -71.3 | 143.3 | 173.8 | -64.2 | 173.3 | 0 | 0 | 0 | 110.8 | E56 | E56-L58 PolarHBondContact O-N 3.15Š| ||
| 59 | P | 69.8 | Low | 68.2 | Low | 83 Ų | 83 | 100.6 Ų | 100.6 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | trans | -62 | 149.2 | 174.5 | 25.8 | -33 | 0 | 0 | 0 | 110.7 | E61 A62 | P59-E61 PolarHBondContact O-N 3.19Å; P59-A62 HydrophobicContact CG-CB 4.36Å; P59-A62 PolarHBondContact O-N 3.49Å | ||
| 60 | P | 60.2 | Low | 68 | Low | 103 Ų | 103 | 97 Ų | 97 | 67% | 0.669 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -62.5 | -15.9 | -174.4 | 25.8 | -35 | 0 | 0 | 0 | 113.7 | A62 | P60-A62 VanDerWaalsContact C-N 3.33Š|
| 61 | E | 59 | Low | 67.9 | Low | 188 Ų | 188 | 100.9 Ų | 100.9 | 88% | 0.879 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -80 | -13.2 | 175.9 | -59.8 | -169.3 | 171.9 | 0 | 0 | 113.7 | P59 | P59-E61 PolarHBondContact O-N 3.19Š|
| 62 | A | 56.2 | Low | 67.4 | Low | 46 Ų | 46 | 109.1 Ų | 109.1 | 38% | 0.38 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -93.6 | 1.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P59 P60 I64 | P59-A62 HydrophobicContact CG-CB 4.36Å; P59-A62 PolarHBondContact O-N 3.49Å; P60-A62 VanDerWaalsContact C-N 3.33Å; A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.19Å |
| 63 | E | 57 | Low | 67.1 | Low | 112 Ų | 112 | 108.2 Ų | 108.2 | 52% | 0.523 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -65.2 | 96.9 | 162.3 | -67.9 | -171.7 | 172.4 | 0 | 0 | 106.7 | D65 | E63-D65 PolarHBondContact O-N 2.54Š|
| 64 | I | 56.5 | Low | 66.5 | Low | 131 Ų | 131 | 103.8 Ų | 103.8 | 67% | 0.672 | 57% | 0.57 | S | S | * | * | trans | -59.9 | 96.6 | 170 | -54.2 | 168.9 | 0 | 0 | 0 | 104.9 | A62 N66 | A62-I64 VanDerWaalsContact C-N 3.27Å; A62-I64 PolarHBondContact O-N 3.19Å; I64-N66 VanDerWaalsContact CG2-ND2 3.28Å; I64-N66 WeakPolarHBondContact CG2-ND2 3.36Å; I64-N66 PolarHBondContact O-N 2.88Å; I64-N66 PolarHBondContact O-ND2 2.94Å | ||
| 65 | D | 57.5 | Low | 66.2 | Low | 111 Ų | 111 | 101.8 Ų | 101.8 | 59% | 0.594 | 57% | 0.567 | S | S | * | * | trans | -62.1 | 81.9 | 167 | -94.9 | -28.4 | 0 | 0 | 0 | 106.4 | E63 D67 | E63-D65 PolarHBondContact O-N 2.54Å; D65-D67 PolarHBondContact O-N 3Å | ||
| 66 | N | 57.3 | Low | 66.2 | Low | 98 Ų | 98 | 104.3 Ų | 104.3 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | trans | -72.2 | 68.9 | 171.2 | -82 | -69.9 | 0 | 0 | 0 | 106.9 | I64 P68 R85 | I64-N66 VanDerWaalsContact CG2-ND2 3.28Å; I64-N66 WeakPolarHBondContact CG2-ND2 3.36Å; I64-N66 PolarHBondContact O-N 2.88Å; I64-N66 PolarHBondContact O-ND2 2.94Å; N66-P68 WeakPolarHBondContact O-CD 3.44Å; N66-R85 PolarHBondContact OD1-NH1 2.93Å | ||
| 67 | D | 65.6 | Low | 65.9 | Low | 29 Ų | 29 | 99.5 Ų | 99.5 | 16% | 0.155 | 55% | 0.547 | C | S | . | . | trans | -103.6 | 73.4 | 169.6 | -171.6 | 5.9 | 0 | 0 | 0 | 108.5 | D65 F69 K70 L71 K72 | D65-D67 PolarHBondContact O-N 3Å; D67-F69 PolarHBondContact O-N 2.95Å; D67-F69 VanDerWaalsContact O-N 3.1Å; D67-K70 VanDerWaalsContact CG-CA 3.41Å; D67-K70 PolarHBondContact O-N 3.01Å; D67-K70 WeakPolarHBondContact OD1-CA 3.33Å; D67-K70 PolarHBondContact OD1-N 3.11Å; D67-K70 WeakPolarHBondContact OD2-CA 3.21Å; D67-L71 VanDerWaalsContact CG-N 3.26Å; D67-L71 PolarHBondContact OD1-N 3.31Å; D67-L71 PolarHBondContact OD2-N 3.08Å; D67-K72 WeakPolarHBondContact OD2-CB 3.46Å; D67-K72 PolarHBondContact OD2-N 2.73Å | ||
| 68 | P | 69.8 | Low | 66.1 | Low | 43 Ų | 43 | 94 Ų | 94 | 28% | 0.279 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.5 | -178.6 | 22.4 | -31.9 | 0 | 0 | 0 | 112.1 | N66 V77 V82 | N66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-V77 VanDerWaalsContact O-CG1 3.32Å; P68-V77 WeakPolarHBondContact O-CG1 2.95Å; P68-V82 HydrophobicContact CB-CG2 4.41Å |
| 69 | F | 71.4 | Confident | 66.3 | Low | 108 Ų | 108 | 96.4 Ų | 96.4 | 47% | 0.474 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 3.3 | -180 | -64.8 | -73.5 | 0 | 0 | 0 | 113.5 | D67 L71 V77 V82 | D67-F69 PolarHBondContact O-N 2.95Å; D67-F69 VanDerWaalsContact O-N 3.1Å; F69-L71 HydrophobicContact CB-CD1 4.16Å; F69-L71 HydrophobicContact CB-CG 3.89Å; F69-L71 PolarHBondContact O-N 2.91Å; F69-L71 VanDerWaalsContact O-N 3.1Å; F69-V77 HydrophobicContact CD1-CG1 4.19Å; F69-V77 WeakPolarHBondContact O-CG2 3.32Å; F69-V82 HydrophobicContact CE1-CG1 4.45Å; F69-V82 HydrophobicContact CZ-CG1 4.22Å |
| 70 | K | 69.7 | Low | 66.4 | Low | 73 Ų | 73 | 101 Ų | 101 | 32% | 0.317 | 55% | 0.55 | S | S | . | . | trans | 47.9 | 34.9 | -179.3 | -61 | -179 | -178.8 | 170.7 | 0 | 113.4 | D67 K72 G74 V76 | D67-K70 VanDerWaalsContact CG-CA 3.41Å; D67-K70 PolarHBondContact O-N 3.01Å; D67-K70 WeakPolarHBondContact OD1-CA 3.33Å; D67-K70 PolarHBondContact OD1-N 3.11Å; D67-K70 WeakPolarHBondContact OD2-CA 3.21Å; K70-K72 VanDerWaalsContact C-N 3.31Å; K70-K72 PolarHBondContact O-N 3.47Å; K70-G74 WeakPolarHBondContact O-CA 3.44Å; K70-G74 PolarHBondContact O-N 3.1Å; K70-V76 WeakPolarHBondContact CD-O 3.45Å; K70-V76 WeakPolarHBondContact CE-O 3.39Å; K70-V76 PolarHBondContact NZ-O 2.83Å | ||
| 71 | L | 74 | Confident | 66.8 | Low | 150 Ų | 150 | 103 Ų | 103 | 79% | 0.785 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -29.3 | -179.1 | -68 | 172.2 | 0 | 0 | 0 | 112.7 | D67 F69 | D67-L71 VanDerWaalsContact CG-N 3.26Å; D67-L71 PolarHBondContact OD1-N 3.31Å; D67-L71 PolarHBondContact OD2-N 3.08Å; F69-L71 HydrophobicContact CB-CD1 4.16Å; F69-L71 HydrophobicContact CB-CG 3.89Å; F69-L71 PolarHBondContact O-N 2.91Å; F69-L71 VanDerWaalsContact O-N 3.1Å |
| 72 | K | 67.8 | Low | 67.1 | Low | 180 Ų | 180 | 95.6 Ų | 95.6 | 78% | 0.783 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -40.2 | 178.4 | -60.5 | -178.5 | -177.9 | 176.6 | 0 | 112.3 | D67 K70 | D67-K72 WeakPolarHBondContact OD2-CB 3.46Å; D67-K72 PolarHBondContact OD2-N 2.73Å; K70-K72 VanDerWaalsContact C-N 3.31Å; K70-K72 PolarHBondContact O-N 3.47Å |
| 73 | T | 72 | Confident | 67.7 | Low | 101 Ų | 101 | 101.4 Ų | 101.4 | 62% | 0.62 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -18.1 | -175.9 | 29.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 74 | G | 65.3 | Low | 68.1 | Low | 62 Ų | 62 | 101.2 Ų | 101.2 | 64% | 0.639 | 54% | 0.535 | S | S | * | . | trans | 69 | 108.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K70 | K70-G74 WeakPolarHBondContact O-CA 3.44Å; K70-G74 PolarHBondContact O-N 3.1Å | ||
| 75 | G | 76.6 | Confident | 68.4 | Low | 46 Ų | 46 | 99.9 Ų | 99.9 | 47% | 0.474 | 52% | 0.521 | S | S | . | . | trans | 168.7 | 173.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 76 | V | 74 | Confident | 68.5 | Low | 126 Ų | 126 | 100.4 Ų | 100.4 | 76% | 0.764 | 52% | 0.524 | S | S | * | . | trans | -71.1 | 133 | 179.4 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | K70 | K70-V76 WeakPolarHBondContact CD-O 3.45Å; K70-V76 WeakPolarHBondContact CE-O 3.39Å; K70-V76 PolarHBondContact NZ-O 2.83Å | ||
| 77 | V | 72.3 | Confident | 68.7 | Low | 35 Ų | 35 | 105.3 Ų | 105.3 | 21% | 0.212 | 54% | 0.535 | C | S | . | . | trans | -79.5 | 126.6 | -178.2 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | P68 F69 M79 V82 | P68-V77 VanDerWaalsContact O-CG1 3.32Å; P68-V77 WeakPolarHBondContact O-CG1 2.95Å; F69-V77 HydrophobicContact CD1-CG1 4.19Å; F69-V77 WeakPolarHBondContact O-CG2 3.32Å; V77-M79 HydrophobicContact CB-CE 3.62Å; V77-M79 HydrophobicContact CG1-CE 3.25Å; V77-M79 PolarHBondContact O-N 2.99Å; V77-V82 HydrophobicContact CG1-CG2 4.07Å | ||
| 78 | D | 71.4 | Confident | 68.3 | Low | 77 Ų | 77 | 110.7 Ų | 110.7 | 41% | 0.412 | 56% | 0.563 | S | S | . | * | trans | -79.9 | 93.4 | 175.1 | -76.1 | -23.3 | 0 | 0 | 0 | 110.7 | K80 K81 | D78-K80 PolarHBondContact O-N 2.97Å; D78-K81 HydrophobicContact CB-CB 4.49Å; D78-K81 HydrophobicContact CB-CD 4.14Å; D78-K81 HydrophobicContact CB-CG 4.32Å; D78-K81 PolarHBondContact O-N 2.99Å; D78-K81 VanDerWaalsContact O-N 3.11Å; D78-K81 IonicContact OD2-NZ 3.53Å; D78-K81 PolarHBondContact OD2-NZ 3.21Å | ||
| 79 | M | 68.1 | Low | 67.5 | Low | 123 Ų | 123 | 114.8 Ų | 114.8 | 61% | 0.606 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -55.2 | -24.3 | -178.3 | -70.4 | -65.5 | 108.5 | 0 | 0 | 114.9 | V77 K83 | V77-M79 HydrophobicContact CB-CE 3.62Å; V77-M79 HydrophobicContact CG1-CE 3.25Å; V77-M79 PolarHBondContact O-N 2.99Å; M79-K83 PolarHBondContact O-N 3.1Å |
| 80 | K | 72.2 | Confident | 66.6 | Low | 180 Ų | 180 | 114.6 Ų | 114.6 | 78% | 0.783 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69 | -43.2 | 178 | -65.9 | -178.5 | 179.5 | 179.5 | 0 | 112 | D78 V82 K83 D84 | D78-K80 PolarHBondContact O-N 2.97Å; K80-V82 VanDerWaalsContact C-N 3.33Å; K80-V82 PolarHBondContact O-N 3.18Å; K80-K83 PolarHBondContact O-N 2.81Å; K80-D84 PolarHBondContact O-N 2.74Å |
| 81 | K | 68.3 | Low | 65.9 | Low | 145 Ų | 145 | 118.6 Ų | 118.6 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.2 | -27.6 | -179.7 | -66.4 | 177.4 | -179.6 | 162.4 | 0 | 113 | D78 | D78-K81 HydrophobicContact CB-CB 4.49Å; D78-K81 HydrophobicContact CB-CD 4.14Å; D78-K81 HydrophobicContact CB-CG 4.32Å; D78-K81 PolarHBondContact O-N 2.99Å; D78-K81 VanDerWaalsContact O-N 3.11Å; D78-K81 IonicContact OD2-NZ 3.53Å; D78-K81 PolarHBondContact OD2-NZ 3.21Å |
| 82 | V | 66.6 | Low | 65 | Low | 32 Ų | 32 | 118.4 Ų | 118.4 | 19% | 0.194 | 61% | 0.608 | C | S | . | * | H | α-helix | trans | -72.5 | -33.5 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | P68 F69 V77 K80 | P68-V82 HydrophobicContact CB-CG2 4.41Å; F69-V82 HydrophobicContact CE1-CG1 4.45Å; F69-V82 HydrophobicContact CZ-CG1 4.22Å; V77-V82 HydrophobicContact CG1-CG2 4.07Å; K80-V82 VanDerWaalsContact C-N 3.33Å; K80-V82 PolarHBondContact O-N 3.18Å |
| 83 | K | 68.3 | Low | 64.2 | Low | 167 Ų | 167 | 116.9 Ų | 116.9 | 73% | 0.726 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -80 | -32.3 | -174.8 | -158 | 170.8 | -178 | 179.6 | 0 | 113.4 | M79 K80 | M79-K83 PolarHBondContact O-N 3.1Å; K80-K83 PolarHBondContact O-N 2.81Å |
| 84 | D | 64.8 | Low | 63.3 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 58% | 0.583 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70 | -35.2 | 177.4 | -71.3 | -28.3 | 0 | 0 | 0 | 112.2 | K80 N86 R87 | K80-D84 PolarHBondContact O-N 2.74Å; D84-N86 VanDerWaalsContact C-N 3.29Å; D84-N86 PolarHBondContact O-N 2.67Å; D84-R87 WeakPolarHBondContact O-CB 3.28Å; D84-R87 PolarHBondContact O-N 2.89Å; D84-R87 VanDerWaalsContact O-N 3.08Å |
| 85 | R | 62.9 | Low | 62.8 | Low | 103 Ų | 103 | 121.7 Ų | 121.7 | 39% | 0.389 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.2 | -26.4 | -179.3 | -125.8 | -160.5 | -66.5 | -154.9 | -5.3 | 114.6 | N66 R87 | N66-R85 PolarHBondContact OD1-NH1 2.93Å; R85-R87 PolarHBondContact O-N 3.06Å |
| 86 | N | 59.8 | Low | 61.8 | Low | 121 Ų | 121 | 125.6 Ų | 125.6 | 65% | 0.647 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -9.7 | 176.4 | -80 | -13.3 | 0 | 0 | 0 | 113 | D84 | D84-N86 VanDerWaalsContact C-N 3.29Å; D84-N86 PolarHBondContact O-N 2.67Å |
| 87 | R | 61.5 | Low | 61 | Low | 202 Ų | 202 | 124.5 Ų | 124.5 | 76% | 0.762 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -25.7 | -179.1 | -150.2 | 178.8 | -172.2 | -176.3 | -0.6 | 112.9 | D84 R85 T90 | D84-R87 WeakPolarHBondContact O-CB 3.28Å; D84-R87 PolarHBondContact O-N 2.89Å; D84-R87 VanDerWaalsContact O-N 3.08Å; R85-R87 PolarHBondContact O-N 3.06Å; R87-T90 PolarHBondContact O-OG1 2.89Å |
| 88 | D | 56.8 | Low | 60.4 | Low | 141 Ų | 141 | 128.8 Ų | 128.8 | 75% | 0.754 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -89.9 | -10.4 | -177.9 | -70 | -18.6 | 0 | 0 | 0 | 113.7 | ||
| 89 | M | 54.3 | Low | 59.6 | Low | 130 Ų | 130 | 128 Ų | 128 | 64% | 0.64 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -91.4 | 4.1 | -174.1 | -70.6 | -71.4 | 173.9 | 0 | 0 | 114.6 | ||
| 90 | T | 52.1 | Low | 59.2 | Low | 104 Ų | 104 | 126.1 Ų | 126.1 | 64% | 0.638 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -108.6 | -6.1 | -164.1 | 45.7 | 0 | 0 | 0 | 0 | 117.6 | R87 | R87-T90 PolarHBondContact O-OG1 2.89Š|
| 91 | E | 55.3 | Low | 58.7 | Low | 157 Ų | 157 | 121.2 Ų | 121.2 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -136.8 | -32.3 | -174.2 | -108.5 | 165.3 | 172.8 | 0 | 0 | 116.8 | ||
| 92 | D | 54.1 | Low | 58 | Low | 145 Ų | 145 | 121.3 Ų | 121.3 | 78% | 0.775 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -109.3 | -11.4 | -163 | -67.3 | -31.6 | 0 | 0 | 0 | 117 | ||
| 93 | E | 51.5 | Low | 57.7 | Low | 149 Ų | 149 | 124 Ų | 124 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -93.4 | -18.2 | -176.7 | -79.1 | -171.8 | 163.1 | 0 | 0 | 115 | ||
| 94 | T | 53.6 | Low | 57.3 | Low | 131 Ų | 131 | 120.1 Ų | 120.1 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -11.9 | -178.1 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 95 | D | 54.2 | Low | 56.9 | Low | 133 Ų | 133 | 122.5 Ų | 122.5 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 17.5 | 178.4 | -76.9 | -6.9 | 0 | 0 | 0 | 112.5 | N97 | D95-N97 PolarHBondContact O-N 3.23Š|
| 96 | L | 56.3 | Low | 56.4 | Low | 128 Ų | 128 | 122.8 Ų | 122.8 | 67% | 0.67 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -68.8 | 79.6 | 162.7 | -71.6 | 171.4 | 0 | 0 | 0 | 109.7 | L98 | L96-L98 PolarHBondContact O-N 3.02Š|
| 97 | N | 57.3 | Low | 56.3 | Low | 103 Ų | 103 | 123 Ų | 123 | 55% | 0.551 | 67% | 0.672 | S | S | * | * | trans | 53.4 | 23.1 | 137.3 | -70.3 | -7.2 | 0 | 0 | 0 | 118.6 | D95 G99 T100 S101 | D95-N97 PolarHBondContact O-N 3.23Å; N97-G99 PolarHBondContact O-N 3.3Å; N97-G99 VanDerWaalsContact O-N 3.11Å; N97-T100 WeakPolarHBondContact CB-OG1 3.33Å; N97-T100 PolarHBondContact O-N 2.79Å; N97-T100 PolarHBondContact O-OG1 3Å; N97-S101 PolarHBondContact O-N 3.42Å; N97-S101 VanDerWaalsContact O-N 3.16Å; N97-S101 PolarHBondContact O-OG 3.09Å | ||
| 98 | L | 59 | Low | 56.3 | Low | 125 Ų | 125 | 124.4 Ų | 124.4 | 65% | 0.654 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -58.7 | -28 | 174.9 | -165.8 | 64.6 | 0 | 0 | 0 | 111.8 | L96 F102 | L96-L98 PolarHBondContact O-N 3.02Å; L98-F102 HydrophobicContact CD1-CD2 4.26Å; L98-F102 HydrophobicContact CD1-CE2 3.64Å; L98-F102 HydrophobicContact CG-CD2 4.39Å; L98-F102 HydrophobicContact CG-CE2 4.08Å; L98-F102 VanDerWaalsContact O-CD2 3.28Å; L98-F102 WeakPolarHBondContact O-CD2 3.49Å |
| 99 | G | 55 | Low | 56.8 | Low | 59 Ų | 59 | 126 Ų | 126 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75 | -23.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N97 S103 | N97-G99 PolarHBondContact O-N 3.3Å; N97-G99 VanDerWaalsContact O-N 3.11Å; G99-S103 PolarHBondContact O-OG 3.11Å; G99-S103 VanDerWaalsContact O-OG 3.09Å |
| 100 | T | 60.2 | Low | 57.5 | Low | 85 Ų | 85 | 125.1 Ų | 125.1 | 52% | 0.521 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -95.5 | -28.7 | -178.6 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | N97 S103 A104 | N97-T100 WeakPolarHBondContact CB-OG1 3.33Å; N97-T100 PolarHBondContact O-N 2.79Å; N97-T100 PolarHBondContact O-OG1 3Å; T100-S103 PolarHBondContact O-N 3.33Å; T100-A104 PolarHBondContact O-N 3.31Å |
| 101 | S | 60.8 | Low | 58.7 | Low | 76 Ų | 76 | 127.5 Ų | 127.5 | 53% | 0.531 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -67.6 | -34.5 | 177.8 | -55.4 | 0 | 0 | 0 | 0 | 113.5 | N97 | N97-S101 PolarHBondContact O-N 3.42Å; N97-S101 VanDerWaalsContact O-N 3.16Å; N97-S101 PolarHBondContact O-OG 3.09Å |
| 102 | F | 54.7 | Low | 59.8 | Low | 148 Ų | 148 | 125.4 Ų | 125.4 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -19.9 | 176.1 | -76.7 | -70.7 | 0 | 0 | 0 | 113.8 | L98 | L98-F102 HydrophobicContact CD1-CD2 4.26Å; L98-F102 HydrophobicContact CD1-CE2 3.64Å; L98-F102 HydrophobicContact CG-CD2 4.39Å; L98-F102 HydrophobicContact CG-CE2 4.08Å; L98-F102 VanDerWaalsContact O-CD2 3.28Å; L98-F102 WeakPolarHBondContact O-CD2 3.49Å |
| 103 | S | 60.5 | Low | 61.3 | Low | 87 Ų | 87 | 121.2 Ų | 121.2 | 61% | 0.608 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -13.4 | -179.3 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | G99 T100 | G99-S103 PolarHBondContact O-OG 3.11Å; G99-S103 VanDerWaalsContact O-OG 3.09Å; T100-S103 PolarHBondContact O-N 3.33Å |
| 104 | A | 59.8 | Low | 62.9 | Low | 86 Ų | 86 | 118.2 Ų | 118.2 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -85.9 | -17.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T100 T106 | T100-A104 PolarHBondContact O-N 3.31Å; A104-T106 VanDerWaalsContact C-N 3.3Å; A104-T106 PolarHBondContact O-N 3.24Å |
| 105 | E | 55.7 | Low | 64.5 | Low | 160 Ų | 160 | 117.1 Ų | 117.1 | 75% | 0.748 | 63% | 0.629 | S | S | * | * | trans | -93.7 | 34.3 | -177.9 | -154.9 | 179.5 | 177 | 0 | 0 | 112.7 | N107 | E105-N107 PolarHBondContact O-N 2.99Š| ||
| 106 | T | 52.6 | Low | 66.1 | Low | 108 Ų | 108 | 115.6 Ų | 115.6 | 66% | 0.663 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -95.6 | 82.6 | 157.9 | 61.9 | 0 | 0 | 0 | 0 | 108.3 | A104 R108 | A104-T106 VanDerWaalsContact C-N 3.3Å; A104-T106 PolarHBondContact O-N 3.24Å; T106-R108 PolarHBondContact O-N 2.95Å |
| 107 | N | 57.6 | Low | 67.7 | Low | 126 Ų | 126 | 116 Ų | 116 | 67% | 0.674 | 62% | 0.615 | S | S | * | * | trans | 12.4 | 77 | 137.2 | -167.3 | 29.4 | 0 | 0 | 0 | 115.1 | E105 R109 | E105-N107 PolarHBondContact O-N 2.99Å; N107-R109 VanDerWaalsContact C-N 3.29Å | ||
| 108 | R | 60.6 | Low | 69.3 | Low | 231 Ų | 231 | 118 Ų | 118 | 87% | 0.872 | 62% | 0.616 | S | S | * | * | trans | -92.7 | 72.9 | 150.4 | -74.3 | -168.4 | -177.1 | 164.3 | 1.9 | 106.9 | T106 D110 | T106-R108 PolarHBondContact O-N 2.95Å; R108-D110 PolarHBondContact O-N 2.86Å | ||
| 109 | R | 67.1 | Low | 70.8 | Confident | 175 Ų | 175 | 115.7 Ų | 115.7 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | trans | -59.3 | 118.4 | 152.3 | -104.6 | -177.3 | 166.8 | 88.7 | -3.2 | 105.1 | N107 E111 | N107-R109 VanDerWaalsContact C-N 3.29Å; R109-E111 PolarHBondContact O-N 3.4Å | ||
| 110 | D | 69.2 | Low | 72.3 | Confident | 112 Ų | 112 | 117.8 Ų | 117.8 | 60% | 0.599 | 60% | 0.598 | S | S | * | * | trans | -70.2 | 85.2 | 169.4 | -78.5 | -30.8 | 0 | 0 | 0 | 107.1 | R108 D112 A113 D114 | R108-D110 PolarHBondContact O-N 2.86Å; D110-D112 PolarHBondContact O-N 3.42Å; D110-D112 VanDerWaalsContact O-N 3.12Å; D110-A113 HydrophobicContact CB-CB 3.7Å; D110-A113 WeakPolarHBondContact O-CB 3.35Å; D110-A113 PolarHBondContact O-N 3.05Å; D110-D114 PolarHBondContact O-N 3.33Å; D110-D114 VanDerWaalsContact O-N 3.16Å | ||
| 111 | E | 76.9 | Confident | 73.6 | Confident | 154 Ų | 154 | 116.1 Ų | 116.1 | 72% | 0.72 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -53.2 | -31.5 | 176.2 | -64.5 | 175.7 | 170.6 | 0 | 0 | 110.8 | R109 D114 M115 | R109-E111 PolarHBondContact O-N 3.4Å; E111-D114 PolarHBondContact O-N 3.42Å; E111-M115 VanDerWaalsContact O-CB 3.22Å; E111-M115 WeakPolarHBondContact O-CB 3.23Å; E111-M115 PolarHBondContact O-N 3.44Å |
| 112 | D | 80 | Confident | 74.9 | Confident | 113 Ų | 113 | 115.3 Ų | 115.3 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.6 | -37.9 | 176 | -154.9 | 39.2 | 0 | 0 | 0 | 112.3 | D110 M115 M116 | D110-D112 PolarHBondContact O-N 3.42Å; D110-D112 VanDerWaalsContact O-N 3.12Å; D112-M115 PolarHBondContact O-N 3.42Å; D112-M116 WeakPolarHBondContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CG 3.37Å; D112-M116 PolarHBondContact O-N 3.45Å |
| 113 | A | 85.6 | Confident | 76.3 | Confident | 57 Ų | 57 | 113.3 Ų | 113.3 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.4 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D110 M116 K117 | D110-A113 HydrophobicContact CB-CB 3.7Å; D110-A113 WeakPolarHBondContact O-CB 3.35Å; D110-A113 PolarHBondContact O-N 3.05Å; A113-M116 PolarHBondContact O-N 3.01Å; A113-K117 WeakPolarHBondContact O-CB 3.32Å; A113-K117 PolarHBondContact O-N 2.86Å |
| 114 | D | 84.2 | Confident | 77.3 | Confident | 86 Ų | 86 | 114.3 Ų | 114.3 | 46% | 0.46 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.3 | -36.8 | 175.7 | -80.8 | -19.7 | 0 | 0 | 0 | 111.9 | D110 E111 K117 Y118 | D110-D114 PolarHBondContact O-N 3.33Å; D110-D114 VanDerWaalsContact O-N 3.16Å; E111-D114 PolarHBondContact O-N 3.42Å; D114-K117 PolarHBondContact O-N 3.08Å; D114-Y118 WeakPolarHBondContact O-CB 3.39Å; D114-Y118 PolarHBondContact O-N 3.32Å |
| 115 | M | 87 | Confident | 78.4 | Confident | 108 Ų | 108 | 115.7 Ų | 115.7 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.4 | -43.5 | 174.3 | -167.8 | -178.8 | -43 | 0 | 0 | 111.6 | E111 D112 Y118 I119 | E111-M115 VanDerWaalsContact O-CB 3.22Å; E111-M115 WeakPolarHBondContact O-CB 3.23Å; E111-M115 PolarHBondContact O-N 3.44Å; D112-M115 PolarHBondContact O-N 3.42Å; M115-Y118 PolarHBondContact O-N 3.35Å; M115-I119 HydrophobicContact CG-CD1 4.3Å; M115-I119 VanDerWaalsContact O-CG1 3.31Å; M115-I119 WeakPolarHBondContact O-CG1 3.43Å; M115-I119 PolarHBondContact O-N 3.28Å |
| 116 | M | 88.4 | Confident | 79.4 | Confident | 100 Ų | 100 | 116.8 Ų | 116.8 | 49% | 0.493 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.4 | -42.7 | 175.7 | -72.2 | -64.8 | -76 | 0 | 0 | 111.8 | D112 A113 Y118 I119 E120 | D112-M116 WeakPolarHBondContact O-CB 3.31Å; D112-M116 WeakPolarHBondContact O-CG 3.37Å; D112-M116 PolarHBondContact O-N 3.45Å; A113-M116 PolarHBondContact O-N 3.01Å; M116-Y118 VanDerWaalsContact C-N 3.3Å; M116-Y118 PolarHBondContact O-N 3.28Å; M116-I119 PolarHBondContact O-N 2.84Å; M116-I119 HydrophobicContact SD-CD1 4.39Å; M116-E120 WeakPolarHBondContact O-CG 3.43Å; M116-E120 PolarHBondContact O-N 3.23Å |
| 117 | K | 90.4 | Very high | 80.7 | Confident | 137 Ų | 137 | 120.1 Ų | 120.1 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.4 | -41.8 | 173.9 | -175.8 | -179.4 | 176.7 | -174.9 | 0 | 111.6 | A113 D114 E120 T121 | A113-K117 WeakPolarHBondContact O-CB 3.32Å; A113-K117 PolarHBondContact O-N 2.86Å; D114-K117 PolarHBondContact O-N 3.08Å; K117-E120 PolarHBondContact O-N 3.38Å; K117-T121 VanDerWaalsContact O-CG2 3.28Å; K117-T121 WeakPolarHBondContact O-CG2 3.42Å; K117-T121 PolarHBondContact O-N 2.83Å; K117-T121 PolarHBondContact O-OG1 3.08Å |
| 118 | Y | 89.8 | Confident | 80.9 | Confident | 145 Ų | 145 | 116.9 Ų | 116.9 | 57% | 0.569 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.4 | -47.6 | 176.4 | -178.1 | -104.6 | 0 | 0 | 0 | 111.7 | D114 M115 M116 E120 T121 E122 | D114-Y118 WeakPolarHBondContact O-CB 3.39Å; D114-Y118 PolarHBondContact O-N 3.32Å; M115-Y118 PolarHBondContact O-N 3.35Å; M116-Y118 VanDerWaalsContact C-N 3.3Å; M116-Y118 PolarHBondContact O-N 3.28Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 3.16Å; Y118-T121 WeakPolarHBondContact CA-OG1 3.28Å; Y118-T121 PolarHBondContact O-N 2.91Å; Y118-T121 VanDerWaalsContact O-N 3.13Å; Y118-T121 PolarHBondContact O-OG1 3.19Å; Y118-E122 HydrophobicContact CD1-CG 4.2Å; Y118-E122 HydrophobicContact CD2-CG 4.33Å; Y118-E122 HydrophobicContact CE1-CG 3.73Å; Y118-E122 HydrophobicContact CE2-CG 3.89Å; Y118-E122 HydrophobicContact CG-CG 4.48Å; Y118-E122 WeakPolarHBondContact O-CG 3.14Å; Y118-E122 PolarHBondContact O-N 2.94Å |
| 119 | I | 90.3 | Very high | 80.8 | Confident | 77 Ų | 77 | 112 Ų | 112 | 40% | 0.395 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 176.4 | -67.3 | 164.3 | 0 | 0 | 0 | 110.9 | M115 M116 T121 E122 L123 | M115-I119 HydrophobicContact CG-CD1 4.3Å; M115-I119 VanDerWaalsContact O-CG1 3.31Å; M115-I119 WeakPolarHBondContact O-CG1 3.43Å; M115-I119 PolarHBondContact O-N 3.28Å; M116-I119 PolarHBondContact O-N 2.84Å; M116-I119 HydrophobicContact SD-CD1 4.39Å; I119-T121 PolarHBondContact O-N 3Å; I119-E122 PolarHBondContact O-N 3.36Å; I119-L123 HydrophobicContact CG2-CD1 3.85Å; I119-L123 HydrophobicContact CG2-CG 4.29Å; I119-L123 WeakPolarHBondContact O-CB 3.4Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.29Å; I119-L123 PolarHBondContact O-N 3.2Å |
| 120 | E | 87.8 | Confident | 80.2 | Confident | 102 Ų | 102 | 107.2 Ų | 107.2 | 48% | 0.477 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 176.3 | -74.8 | -176.8 | -168.4 | 0 | 0 | 112.6 | M116 K117 Y118 L123 K124 | M116-E120 WeakPolarHBondContact O-CG 3.43Å; M116-E120 PolarHBondContact O-N 3.23Å; K117-E120 PolarHBondContact O-N 3.38Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 3.16Å; E120-L123 PolarHBondContact O-N 3.35Å; E120-K124 WeakPolarHBondContact O-CB 3.48Å; E120-K124 WeakPolarHBondContact O-CG 3.22Å; E120-K124 PolarHBondContact O-N 3.05Å; E120-K124 IonicContact OE2-NZ 3.23Å |
| 121 | T | 86 | Confident | 79.5 | Confident | 51 Ų | 51 | 110.6 Ų | 110.6 | 31% | 0.313 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.9 | -42 | 177.9 | 60 | 0 | 0 | 0 | 0 | 111.9 | K117 Y118 I119 K124 K125 | K117-T121 VanDerWaalsContact O-CG2 3.28Å; K117-T121 WeakPolarHBondContact O-CG2 3.42Å; K117-T121 PolarHBondContact O-N 2.83Å; K117-T121 PolarHBondContact O-OG1 3.08Å; Y118-T121 WeakPolarHBondContact CA-OG1 3.28Å; Y118-T121 PolarHBondContact O-N 2.91Å; Y118-T121 VanDerWaalsContact O-N 3.13Å; Y118-T121 PolarHBondContact O-OG1 3.19Å; I119-T121 PolarHBondContact O-N 3Å; T121-K124 PolarHBondContact O-N 2.96Å; T121-K125 WeakPolarHBondContact O-CB 3.35Å; T121-K125 VanDerWaalsContact O-CG 3.29Å; T121-K125 WeakPolarHBondContact O-CG 3.19Å; T121-K125 PolarHBondContact O-N 2.86Å |
| 122 | E | 88.5 | Confident | 78.2 | Confident | 58 Ų | 58 | 106.9 Ų | 106.9 | 27% | 0.271 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.6 | -36.5 | 177.4 | -72.2 | -58.6 | 126.7 | 0 | 0 | 112 | Y118 I119 K125 K126 | Y118-E122 HydrophobicContact CD1-CG 4.2Å; Y118-E122 HydrophobicContact CD2-CG 4.33Å; Y118-E122 HydrophobicContact CE1-CG 3.73Å; Y118-E122 HydrophobicContact CE2-CG 3.89Å; Y118-E122 HydrophobicContact CG-CG 4.48Å; Y118-E122 WeakPolarHBondContact O-CG 3.14Å; Y118-E122 PolarHBondContact O-N 2.94Å; I119-E122 PolarHBondContact O-N 3.36Å; E122-K125 PolarHBondContact O-N 3.49Å; E122-K125 WeakPolarHBondContact OE1-CD 3.33Å; E122-K125 IonicContact OE1-NZ 3.99Å; E122-K125 PolarHBondContact OE1-NZ 3.2Å; E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.32Å; E122-K126 PolarHBondContact O-N 3.36Å |
| 123 | L | 84.3 | Confident | 76.8 | Confident | 107 Ų | 107 | 110.2 Ų | 110.2 | 56% | 0.56 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66 | -40.9 | 171 | -74.7 | 174.3 | 0 | 0 | 0 | 111.9 | I119 E120 K126 K127 | I119-L123 HydrophobicContact CG2-CD1 3.85Å; I119-L123 HydrophobicContact CG2-CG 4.29Å; I119-L123 WeakPolarHBondContact O-CB 3.4Å; I119-L123 VanDerWaalsContact O-CG 3.27Å; I119-L123 WeakPolarHBondContact O-CG 3.29Å; I119-L123 PolarHBondContact O-N 3.2Å; E120-L123 PolarHBondContact O-N 3.35Å; L123-K126 PolarHBondContact O-N 3.3Å; L123-K127 WeakPolarHBondContact O-CB 3.42Å; L123-K127 PolarHBondContact O-N 3.11Å |
| 124 | K | 81.4 | Confident | 75.2 | Confident | 108 Ų | 108 | 115.7 Ų | 115.7 | 47% | 0.47 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.3 | -40.1 | 175 | -76.6 | 169.3 | -176.9 | 168.5 | 0 | 111.9 | E120 T121 K127 G128 L129 | E120-K124 WeakPolarHBondContact O-CB 3.48Å; E120-K124 WeakPolarHBondContact O-CG 3.22Å; E120-K124 PolarHBondContact O-N 3.05Å; E120-K124 IonicContact OE2-NZ 3.23Å; T121-K124 PolarHBondContact O-N 2.96Å; K124-K127 PolarHBondContact O-N 3.46Å; K124-G128 PolarHBondContact O-N 3.39Å; K124-L129 PolarHBondContact O-N 2.91Å |
| 125 | K | 82.3 | Confident | 73.4 | Confident | 114 Ų | 114 | 119.7 Ų | 119.7 | 50% | 0.496 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.2 | -48.9 | 172.5 | -73.9 | 174.3 | -170.8 | 172.9 | 0 | 111.3 | T121 E122 K127 G128 V130 | T121-K125 WeakPolarHBondContact O-CB 3.35Å; T121-K125 VanDerWaalsContact O-CG 3.29Å; T121-K125 WeakPolarHBondContact O-CG 3.19Å; T121-K125 PolarHBondContact O-N 2.86Å; E122-K125 PolarHBondContact O-N 3.49Å; E122-K125 WeakPolarHBondContact OE1-CD 3.33Å; E122-K125 IonicContact OE1-NZ 3.99Å; E122-K125 PolarHBondContact OE1-NZ 3.2Å; K125-K127 VanDerWaalsContact C-N 3.27Å; K125-K127 PolarHBondContact O-N 3.24Å; K125-G128 PolarHBondContact O-N 3.44Å; K125-V130 HydrophobicContact CG-CG2 3.93Å |
| 126 | K | 77.6 | Confident | 71.7 | Confident | 184 Ų | 184 | 123.4 Ų | 123.4 | 80% | 0.8 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64 | -29.6 | 175.9 | -80.5 | -173.3 | 169.7 | -178.8 | 0 | 113.5 | E122 L123 G128 | E122-K126 WeakPolarHBondContact O-CB 3.47Å; E122-K126 WeakPolarHBondContact O-CG 3.32Å; E122-K126 PolarHBondContact O-N 3.36Å; L123-K126 PolarHBondContact O-N 3.3Å; K126-G128 VanDerWaalsContact C-N 3.26Å |
| 127 | K | 79.7 | Confident | 70 | Confident | 177 Ų | 177 | 124.3 Ų | 124.3 | 77% | 0.77 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -2.7 | 175.4 | -161.5 | 174.5 | 178.4 | -176.7 | 0 | 112.9 | L123 K124 K125 L129 | L123-K127 WeakPolarHBondContact O-CB 3.42Å; L123-K127 PolarHBondContact O-N 3.11Å; K124-K127 PolarHBondContact O-N 3.46Å; K125-K127 VanDerWaalsContact C-N 3.27Å; K125-K127 PolarHBondContact O-N 3.24Å; K127-L129 VanDerWaalsContact C-N 3.35Å; K127-L129 PolarHBondContact O-N 3.43Å |
| 128 | G | 62.1 | Low | 68.6 | Low | 59 Ų | 59 | 126.4 Ų | 126.4 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.1 | 19.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K124 K125 K126 V130 | K124-G128 PolarHBondContact O-N 3.39Å; K125-G128 PolarHBondContact O-N 3.44Å; K126-G128 VanDerWaalsContact C-N 3.26Å; G128-V130 VanDerWaalsContact C-N 3.35Å |
| 129 | L | 59.3 | Low | 67.4 | Low | 127 Ų | 127 | 126.2 Ų | 126.2 | 67% | 0.665 | 64% | 0.637 | S | S | * | * | trans | -90.4 | 6 | -175.3 | -149.5 | 76 | 0 | 0 | 0 | 113.9 | K124 K127 | K124-L129 PolarHBondContact O-N 2.91Å; K127-L129 VanDerWaalsContact C-N 3.35Å; K127-L129 PolarHBondContact O-N 3.43Å | ||
| 130 | V | 54.3 | Low | 66.4 | Low | 75 Ų | 75 | 127.8 Ų | 127.8 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -90.8 | -13.6 | -171.6 | 179 | 0 | 0 | 0 | 0 | 113.3 | K125 G128 A132 | K125-V130 HydrophobicContact CG-CG2 3.93Å; G128-V130 VanDerWaalsContact C-N 3.35Å; V130-A132 VanDerWaalsContact C-N 3.3Å; V130-A132 PolarHBondContact O-N 2.86Å |
| 131 | E | 53.1 | Low | 66 | Low | 184 Ų | 184 | 127.5 Ų | 127.5 | 86% | 0.86 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -4.5 | 179.1 | -97.6 | -178.2 | 160 | 0 | 0 | 115.1 | ||
| 132 | A | 49.5 | Very low | 65.5 | Low | 76 Ų | 76 | 128.8 Ų | 128.8 | 63% | 0.628 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -12.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | V130 | V130-A132 VanDerWaalsContact C-N 3.3Å; V130-A132 PolarHBondContact O-N 2.86Å |
| 133 | E | 51.6 | Low | 65 | Low | 182 Ų | 182 | 132.6 Ų | 132.6 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -100.2 | -19.1 | -176 | -64.5 | -147.2 | 156 | 0 | 0 | 114.6 | ||
| 134 | E | 51.4 | Low | 64.7 | Low | 173 Ų | 173 | 131.5 Ų | 131.5 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -94.6 | -5.5 | -173.9 | -69.8 | -171.2 | 162.6 | 0 | 0 | 115.4 | ||
| 135 | Q | 46.8 | Very low | 64.4 | Low | 170 Ų | 170 | 131.3 Ų | 131.3 | 79% | 0.794 | 67% | 0.672 | S | S | * | * | trans | -127.8 | 49.7 | -178.2 | -64.9 | -173.2 | 8.9 | 0 | 0 | 113.8 | V137 | Q135-V137 VanDerWaalsContact C-N 3.29Š| ||
| 136 | K | 50.4 | Low | 64.5 | Low | 185 Ų | 185 | 132.9 Ų | 132.9 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -96.4 | 65.5 | 150.4 | -70 | -174.8 | -176.6 | 175.4 | 0 | 108.9 | K138 | K136-K138 PolarHBondContact O-N 3.05Š| ||
| 137 | V | 53.3 | Low | 64.6 | Low | 120 Ų | 120 | 133.3 Ų | 133.3 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -64.5 | 95.2 | 160.9 | 179.2 | 0 | 0 | 0 | 0 | 105.6 | Q135 V139 | Q135-V137 VanDerWaalsContact C-N 3.29Å; V137-V139 PolarHBondContact O-N 3.44Å; V137-V139 VanDerWaalsContact O-N 3.11Å | ||
| 138 | K | 61.8 | Low | 64.7 | Low | 181 Ų | 181 | 128.6 Ų | 128.6 | 79% | 0.787 | 66% | 0.664 | S | S | * | * | trans | -55.6 | 118.9 | 168.4 | -65.7 | -179.9 | -178.5 | 178.8 | 0 | 106.1 | K136 K140 | K136-K138 PolarHBondContact O-N 3.05Å; K138-K140 PolarHBondContact O-N 3.44Å | ||
| 139 | V | 65.1 | Low | 65.7 | Low | 140 Ų | 140 | 130.9 Ų | 130.9 | 85% | 0.848 | 66% | 0.662 | S | S | * | * | trans | -58.5 | 111.1 | 172.5 | -175.3 | 0 | 0 | 0 | 0 | 105.9 | V137 N141 | V137-V139 PolarHBondContact O-N 3.44Å; V137-V139 VanDerWaalsContact O-N 3.11Å; V139-N141 PolarHBondContact O-N 3.31Å | ||
| 140 | K | 69.2 | Low | 67 | Low | 110 Ų | 110 | 128.4 Ų | 128.4 | 48% | 0.478 | 65% | 0.653 | S | S | . | * | trans | -65.7 | 134.4 | -175.8 | -63.2 | -174.4 | -172.5 | 179 | 0 | 108.7 | K138 D144 E148 | K138-K140 PolarHBondContact O-N 3.44Å; K140-D144 HydrophobicContact CB-CB 4.07Å; K140-E148 WeakPolarHBondContact CD-OE1 3.29Å; K140-E148 WeakPolarHBondContact CE-OE1 2.98Å; K140-E148 IonicContact NZ-OE1 2.85Å; K140-E148 PolarHBondContact NZ-OE1 3.26Å | ||
| 141 | N | 78.4 | Confident | 68.1 | Low | 96 Ų | 96 | 132.2 Ų | 132.2 | 51% | 0.513 | 67% | 0.666 | S | S | . | * | trans | -73.2 | 159.8 | 176.4 | -166.2 | 9.8 | 0 | 0 | 0 | 109.4 | V139 E143 D144 | V139-N141 PolarHBondContact O-N 3.31Å; N141-E143 PolarHBondContact O-N 3.24Å; N141-E143 VanDerWaalsContact O-N 3.09Å; N141-D144 PolarHBondContact N-OD2 2.93Å; N141-D144 VanDerWaalsContact N-OD2 3.17Å; N141-D144 WeakPolarHBondContact O-CB 3.45Å; N141-D144 PolarHBondContact O-N 3.38Å | ||
| 142 | A | 75.9 | Confident | 69.2 | Low | 79 Ų | 79 | 129 Ų | 129 | 65% | 0.653 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -29.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 143 | E | 77.9 | Confident | 70.7 | Confident | 138 Ų | 138 | 130.4 Ų | 130.4 | 65% | 0.645 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -32 | 176.1 | -63.3 | 176.4 | 175.1 | 0 | 0 | 112.8 | N141 H145 L146 Y147 | N141-E143 PolarHBondContact O-N 3.24Å; N141-E143 VanDerWaalsContact O-N 3.09Å; E143-H145 VanDerWaalsContact C-N 3.28Å; E143-H145 PolarHBondContact O-N 2.93Å; E143-L146 WeakPolarHBondContact O-CB 3.41Å; E143-L146 PolarHBondContact O-N 3.5Å; E143-Y147 VanDerWaalsContact O-CD2 3.23Å; E143-Y147 WeakPolarHBondContact O-CD2 3.29Å |
| 144 | D | 77.8 | Confident | 72 | Confident | 83 Ų | 83 | 127.4 Ų | 127.4 | 44% | 0.444 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -67.1 | -32.4 | 178.5 | -71.5 | -31.9 | 0 | 0 | 0 | 111.3 | K140 N141 L146 Y147 E148 | K140-D144 HydrophobicContact CB-CB 4.07Å; N141-D144 PolarHBondContact N-OD2 2.93Å; N141-D144 VanDerWaalsContact N-OD2 3.17Å; N141-D144 WeakPolarHBondContact O-CB 3.45Å; N141-D144 PolarHBondContact O-N 3.38Å; D144-L146 PolarHBondContact O-N 3.34Å; D144-Y147 PolarHBondContact O-N 2.79Å; D144-E148 PolarHBondContact O-N 3.34Å |
| 145 | H | 76.1 | Confident | 72.9 | Confident | 105 Ų | 105 | 125.3 Ų | 125.3 | 49% | 0.486 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -66.9 | -22.7 | 176.3 | -71.6 | -59.1 | 0 | 0 | 0 | 113.4 | E143 Y147 E148 | E143-H145 VanDerWaalsContact C-N 3.28Å; E143-H145 PolarHBondContact O-N 2.93Å; H145-Y147 VanDerWaalsContact C-N 3.31Å; H145-E148 IonicContact CE1-OE2 3.79Å; H145-E148 IonicContact ND1-OE2 2.97Å; H145-E148 PolarHBondContact ND1-OE2 3.47Å |
| 146 | L | 82.7 | Confident | 73.7 | Confident | 147 Ų | 147 | 122.5 Ų | 122.5 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -75.4 | -23.7 | 176.4 | -169.2 | 61.5 | 0 | 0 | 0 | 112.3 | E143 D144 | E143-L146 WeakPolarHBondContact O-CB 3.41Å; E143-L146 PolarHBondContact O-N 3.5Å; D144-L146 PolarHBondContact O-N 3.34Å |
| 147 | Y | 80.6 | Confident | 74.2 | Confident | 192 Ų | 192 | 119 Ų | 119 | 75% | 0.753 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -95.6 | -1.4 | 177.9 | -64.2 | -74.8 | 0 | 0 | 0 | 113.3 | E143 D144 H145 L149 | E143-Y147 VanDerWaalsContact O-CD2 3.23Å; E143-Y147 WeakPolarHBondContact O-CD2 3.29Å; D144-Y147 PolarHBondContact O-N 2.79Å; H145-Y147 VanDerWaalsContact C-N 3.31Å; Y147-L149 PolarHBondContact O-N 2.99Å |
| 148 | E | 82.4 | Confident | 74.5 | Confident | 78 Ų | 78 | 117.6 Ų | 117.6 | 36% | 0.364 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -76.3 | 117.6 | 176.7 | -76.2 | -176.5 | 152.8 | 0 | 0 | 111.6 | K140 D144 H145 | K140-E148 WeakPolarHBondContact CD-OE1 3.29Å; K140-E148 WeakPolarHBondContact CE-OE1 2.98Å; K140-E148 IonicContact NZ-OE1 2.85Å; K140-E148 PolarHBondContact NZ-OE1 3.26Å; D144-E148 PolarHBondContact O-N 3.34Å; H145-E148 IonicContact CE1-OE2 3.79Å; H145-E148 IonicContact ND1-OE2 2.97Å; H145-E148 PolarHBondContact ND1-OE2 3.47Å |
| 149 | L | 83 | Confident | 74.1 | Confident | 108 Ų | 108 | 116.7 Ų | 116.7 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 140.8 | 174.5 | -66.2 | 173.9 | 0 | 0 | 0 | 111.4 | Y147 R154 | Y147-L149 PolarHBondContact O-N 2.99Å; L149-R154 PolarHBondContact O-NH2 2.74Å |
| 150 | P | 85.7 | Confident | 73.7 | Confident | 74 Ų | 74 | 119 Ų | 119 | 48% | 0.481 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 144.9 | 172.4 | -26.1 | 34.2 | 0 | 0 | 0 | 112.7 | S152 I153 R154 | P150-S152 PolarHBondContact O-N 3.44Å; P150-S152 VanDerWaalsContact O-N 3.15Å; P150-I153 PolarHBondContact O-N 2.97Å; P150-R154 PolarHBondContact O-N 2.68Å |
| 151 | E | 76.7 | Confident | 72.8 | Confident | 156 Ų | 156 | 116.9 Ų | 116.9 | 73% | 0.729 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -30.5 | -176.1 | -62.6 | -159.3 | 144.5 | 0 | 0 | 113.4 | I153 R154 | E151-I153 VanDerWaalsContact C-N 3.26Å; E151-I153 PolarHBondContact O-N 2.84Å; E151-R154 PolarHBondContact O-N 2.77Å; E151-R154 IonicContact OE1-NH1 2.54Å |
| 152 | S | 77.4 | Confident | 71.9 | Confident | 115 Ų | 115 | 120.1 Ų | 120.1 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -24 | 176.7 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | P150 | P150-S152 PolarHBondContact O-N 3.44Å; P150-S152 VanDerWaalsContact O-N 3.15Å |
| 153 | I | 80.5 | Confident | 71.3 | Confident | 107 Ų | 107 | 122.4 Ų | 122.4 | 55% | 0.549 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.3 | -8.3 | -179.4 | -60.5 | 170.7 | 0 | 0 | 0 | 110.7 | P150 E151 V155 | P150-I153 PolarHBondContact O-N 2.97Å; E151-I153 VanDerWaalsContact C-N 3.26Å; E151-I153 PolarHBondContact O-N 2.84Å; I153-V155 VanDerWaalsContact C-N 3.35Å; I153-V155 PolarHBondContact O-N 3.16Å |
| 154 | R | 78.3 | Confident | 70.3 | Confident | 118 Ų | 118 | 122.3 Ų | 122.3 | 45% | 0.445 | 63% | 0.631 | S | S | . | * | trans | -74.7 | 85.2 | -179.7 | -162.2 | -179.3 | -62.5 | 154.9 | 2.7 | 110.3 | L149 P150 E151 N156 | L149-R154 PolarHBondContact O-NH2 2.74Å; P150-R154 PolarHBondContact O-N 2.68Å; E151-R154 PolarHBondContact O-N 2.77Å; E151-R154 IonicContact OE1-NH1 2.54Å; R154-N156 PolarHBondContact O-N 3.37Å; R154-N156 VanDerWaalsContact O-N 3.08Å | ||
| 155 | V | 71.4 | Confident | 69.6 | Low | 129 Ų | 129 | 124.3 Ų | 124.3 | 78% | 0.782 | 64% | 0.641 | S | S | * | * | trans | -73.8 | 99.2 | 175.4 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | I153 S157 | I153-V155 VanDerWaalsContact C-N 3.35Å; I153-V155 PolarHBondContact O-N 3.16Å; V155-S157 VanDerWaalsContact C-N 3.35Å; V155-S157 PolarHBondContact O-N 2.74Å | ||
| 156 | N | 63.9 | Low | 69.2 | Low | 111 Ų | 111 | 121.7 Ų | 121.7 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | trans | -70.1 | 88.9 | 173.9 | -69.8 | -12.5 | 0 | 0 | 0 | 110 | R154 A158 | R154-N156 PolarHBondContact O-N 3.37Å; R154-N156 VanDerWaalsContact O-N 3.08Å; N156-A158 PolarHBondContact O-N 3.13Å | ||
| 157 | S | 60.9 | Low | 68.6 | Low | 111 Ų | 111 | 118.8 Ų | 118.8 | 78% | 0.776 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -68.4 | -14.1 | 174.2 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | V155 | V155-S157 VanDerWaalsContact C-N 3.35Å; V155-S157 PolarHBondContact O-N 2.74Å |
| 158 | A | 58.6 | Low | 68.2 | Low | 92 Ų | 92 | 115 Ų | 115 | 76% | 0.76 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -93.1 | -1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N156 | N156-A158 PolarHBondContact O-N 3.13Š|
| 159 | K | 54.7 | Low | 67.5 | Low | 161 Ų | 161 | 117.6 Ų | 117.6 | 70% | 0.7 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -120.3 | 32.8 | 179.9 | -63.7 | -170.6 | -177.2 | -176.6 | 0 | 114.3 | T161 | K159-T161 HydrophobicContact CB-CG2 4.42Å; K159-T161 PolarHBondContact O-N 3.36Å |
| 160 | K | 55.2 | Low | 66.8 | Low | 189 Ų | 189 | 119.2 Ų | 119.2 | 82% | 0.822 | 63% | 0.631 | S | S | * | * | trans | -79.5 | 69.3 | 149.5 | -67 | -176.4 | -177.4 | 179.1 | 0 | 106.3 | ||||
| 161 | T | 51.6 | Low | 66.2 | Low | 65 Ų | 65 | 120.7 Ų | 120.7 | 40% | 0.399 | 64% | 0.644 | S | S | . | * | trans | -57.4 | 144 | -177.6 | 44.3 | 0 | 0 | 0 | 0 | 108.8 | K159 E163 M164 | K159-T161 HydrophobicContact CB-CG2 4.42Å; K159-T161 PolarHBondContact O-N 3.36Å; T161-E163 PolarHBondContact O-N 2.9Å; T161-M164 PolarHBondContact O-N 3.29Å | ||
| 162 | E | 59.7 | Low | 66 | Low | 165 Ų | 165 | 115 Ų | 115 | 77% | 0.771 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -43.5 | -23.1 | 171.9 | -170 | 177.4 | 167.8 | 0 | 0 | 113.2 | M164 L165 S166 | E162-M164 PolarHBondContact O-N 2.89Å; E162-L165 PolarHBondContact O-N 3.39Å; E162-S166 WeakPolarHBondContact O-CB 3.25Å; E162-S166 PolarHBondContact O-N 2.81Å; E162-S166 PolarHBondContact O-OG 3.2Å |
| 163 | E | 61.6 | Low | 65.9 | Low | 126 Ų | 126 | 116.1 Ų | 116.1 | 59% | 0.589 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -58.5 | -33.4 | 170.8 | -156.5 | 173.1 | -163.4 | 0 | 0 | 114.8 | T161 S166 N167 | T161-E163 PolarHBondContact O-N 2.9Å; E163-S166 WeakPolarHBondContact CA-OG 3.47Å; E163-S166 PolarHBondContact O-OG 3.39Å; E163-N167 WeakPolarHBondContact O-CB 3.48Å; E163-N167 PolarHBondContact O-N 3.16Å; E163-N167 VanDerWaalsContact O-N 3.08Å; E163-N167 PolarHBondContact O-ND2 3Å |
| 164 | M | 58.6 | Low | 65.7 | Low | 137 Ų | 137 | 115.2 Ų | 115.2 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -75.7 | -30.1 | 174 | -66.4 | -142.4 | 82.6 | 0 | 0 | 112.6 | T161 E162 Q168 | T161-M164 PolarHBondContact O-N 3.29Å; E162-M164 PolarHBondContact O-N 2.89Å; M164-Q168 WeakPolarHBondContact O-CB 3.5Å; M164-Q168 PolarHBondContact O-N 3.11Å |
| 165 | L | 62.2 | Low | 65.7 | Low | 124 Ų | 124 | 119 Ų | 119 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80.7 | -41.4 | 178.4 | -117 | 131.8 | 0 | 0 | 0 | 111.3 | E162 Q168 M169 | E162-L165 PolarHBondContact O-N 3.39Å; L165-Q168 PolarHBondContact O-N 3.42Å; L165-M169 WeakPolarHBondContact O-CG 3.36Å; L165-M169 PolarHBondContact O-N 2.77Å |
| 166 | S | 66.8 | Low | 66.1 | Low | 50 Ų | 50 | 118.4 Ų | 118.4 | 35% | 0.35 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.6 | -42.3 | 176 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | E162 E163 Q168 M169 L170 | E162-S166 WeakPolarHBondContact O-CB 3.25Å; E162-S166 PolarHBondContact O-N 2.81Å; E162-S166 PolarHBondContact O-OG 3.2Å; E163-S166 WeakPolarHBondContact CA-OG 3.47Å; E163-S166 PolarHBondContact O-OG 3.39Å; S166-Q168 VanDerWaalsContact C-N 3.27Å; S166-Q168 PolarHBondContact O-N 2.98Å; S166-M169 PolarHBondContact O-N 2.94Å; S166-M169 VanDerWaalsContact O-N 3.16Å; S166-L170 WeakPolarHBondContact O-CB 3.38Å; S166-L170 VanDerWaalsContact O-CG 3.25Å; S166-L170 WeakPolarHBondContact O-CG 3.19Å; S166-L170 PolarHBondContact O-N 3.5Å |
| 167 | N | 71.1 | Confident | 67 | Low | 86 Ų | 86 | 119.9 Ų | 119.9 | 46% | 0.46 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.3 | -30.6 | 173.6 | -72.6 | -28.6 | 0 | 0 | 0 | 112.1 | E163 L170 S171 | E163-N167 WeakPolarHBondContact O-CB 3.48Å; E163-N167 PolarHBondContact O-N 3.16Å; E163-N167 VanDerWaalsContact O-N 3.08Å; E163-N167 PolarHBondContact O-ND2 3Å; N167-L170 PolarHBondContact O-N 3.15Å; N167-S171 WeakPolarHBondContact O-CA 3.49Å; N167-S171 WeakPolarHBondContact O-CB 3.49Å; N167-S171 PolarHBondContact O-N 3.16Å |
| 168 | Q | 72.1 | Confident | 68.1 | Low | 114 Ų | 114 | 121.2 Ų | 121.2 | 53% | 0.533 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -71.5 | -32 | 173 | -176.2 | 161.7 | 6.4 | 0 | 0 | 112.9 | M164 L165 S166 | M164-Q168 WeakPolarHBondContact O-CB 3.5Å; M164-Q168 PolarHBondContact O-N 3.11Å; L165-Q168 PolarHBondContact O-N 3.42Å; S166-Q168 VanDerWaalsContact C-N 3.27Å; S166-Q168 PolarHBondContact O-N 2.98Å |
| 169 | M | 67.2 | Low | 69.6 | Low | 132 Ų | 132 | 118.1 Ų | 118.1 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.2 | -38.1 | 170.9 | -68 | -74 | 110.3 | 0 | 0 | 111.7 | L165 S166 | L165-M169 WeakPolarHBondContact O-CG 3.36Å; L165-M169 PolarHBondContact O-N 2.77Å; S166-M169 PolarHBondContact O-N 2.94Å; S166-M169 VanDerWaalsContact O-N 3.16Å |
| 170 | L | 69.3 | Low | 71.4 | Confident | 141 Ų | 141 | 116.4 Ų | 116.4 | 74% | 0.738 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79 | -33.4 | -178.6 | -70.2 | 169 | 0 | 0 | 0 | 113.6 | S166 N167 G172 | S166-L170 WeakPolarHBondContact O-CB 3.38Å; S166-L170 VanDerWaalsContact O-CG 3.25Å; S166-L170 WeakPolarHBondContact O-CG 3.19Å; S166-L170 PolarHBondContact O-N 3.5Å; N167-L170 PolarHBondContact O-N 3.15Å; L170-G172 PolarHBondContact O-N 3.48Å |
| 171 | S | 72.4 | Confident | 73.2 | Confident | 106 Ų | 106 | 113 Ų | 113 | 74% | 0.741 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -1.9 | 176.5 | 178.1 | 0 | 0 | 0 | 0 | 112.9 | N167 | N167-S171 WeakPolarHBondContact O-CA 3.49Å; N167-S171 WeakPolarHBondContact O-CB 3.49Å; N167-S171 PolarHBondContact O-N 3.16Å |
| 172 | G | 73.4 | Confident | 75.2 | Confident | 37 Ų | 37 | 111.6 Ų | 111.6 | 38% | 0.381 | 61% | 0.609 | S | S | . | * | trans | 73.1 | 146.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L170 P174 | L170-G172 PolarHBondContact O-N 3.48Å; G172-P174 WeakPolarHBondContact O-CD 3.42Å | ||
| 173 | I | 74.6 | Confident | 76.8 | Confident | 138 Ų | 138 | 110.5 Ų | 110.5 | 71% | 0.708 | 60% | 0.601 | S | S | * | * | trans | -57.5 | 126.8 | 170.1 | -61 | 169.8 | 0 | 0 | 0 | 106.6 | E175 | I173-E175 PolarHBondContact O-N 2.98Š| ||
| 174 | P | 77.3 | Confident | 78.4 | Confident | 88 Ų | 88 | 108.2 Ų | 108.2 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | trans | -52.3 | 113.8 | 172.8 | -25.7 | 34 | 0 | 0 | 0 | 108.8 | G172 V176 | G172-P174 WeakPolarHBondContact O-CD 3.42Å; P174-V176 PolarHBondContact O-N 3.48Å | ||
| 175 | E | 77 | Confident | 80.2 | Confident | 197 Ų | 197 | 108.2 Ų | 108.2 | 92% | 0.921 | 59% | 0.588 | S | S | * | * | trans | -63.8 | 106.7 | -179.3 | -66.1 | -175.5 | -175.7 | 0 | 0 | 108 | I173 | I173-E175 PolarHBondContact O-N 2.98Š| ||
| 176 | V | 80.9 | Confident | 81.8 | Confident | 116 Ų | 116 | 106.6 Ų | 106.6 | 70% | 0.703 | 58% | 0.58 | S | S | * | * | trans | -87.6 | 110.5 | 167.6 | -179.3 | 0 | 0 | 0 | 0 | 105.9 | P174 L178 | P174-V176 PolarHBondContact O-N 3.48Å; V176-L178 PolarHBondContact O-N 3.41Å | ||
| 177 | D | 82.9 | Confident | 83.2 | Confident | 143 Ų | 143 | 108.6 Ų | 108.6 | 77% | 0.765 | 59% | 0.586 | S | S | * | * | trans | -67.7 | 99 | 177.8 | -165.6 | -0.8 | 0 | 0 | 0 | 109.4 | G179 | D177-G179 PolarHBondContact O-N 2.92Å; D177-G179 VanDerWaalsContact O-N 3.16Å; D177-G179 PolarHBondContact OD1-N 3.4Å; D177-G179 VanDerWaalsContact OD1-N 3.11Å | ||
| 178 | L | 82.2 | Confident | 84.4 | Confident | 138 Ų | 138 | 108.9 Ų | 108.9 | 72% | 0.723 | 59% | 0.587 | S | S | * | * | trans | -68.5 | -5.5 | 177.2 | -64.6 | 171.2 | 0 | 0 | 0 | 112.2 | V176 A182 | V176-L178 PolarHBondContact O-N 3.41Å; L178-A182 HydrophobicContact CB-CB 4.32Å; L178-A182 VanDerWaalsContact O-CB 3.23Å; L178-A182 WeakPolarHBondContact O-CB 3.41Å | ||
| 179 | G | 91.3 | Very high | 85.6 | Confident | 28 Ų | 28 | 109.2 Ų | 109.2 | 29% | 0.289 | 59% | 0.588 | S | S | . | * | trans | 82 | 149.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D177 D181 A182 K183 | D177-G179 PolarHBondContact O-N 2.92Å; D177-G179 VanDerWaalsContact O-N 3.16Å; D177-G179 PolarHBondContact OD1-N 3.4Å; D177-G179 VanDerWaalsContact OD1-N 3.11Å; G179-D181 PolarHBondContact O-N 3.27Å; G179-A182 PolarHBondContact O-N 2.87Å; G179-K183 PolarHBondContact O-N 3.15Å | ||
| 180 | I | 91.4 | Very high | 87 | Confident | 124 Ų | 124 | 107.5 Ų | 107.5 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.4 | -35.2 | -178.9 | -60.2 | 173.7 | 0 | 0 | 0 | 110.7 | A182 K183 I184 | I180-A182 PolarHBondContact O-N 3.48Å; I180-K183 WeakPolarHBondContact O-CB 3.42Å; I180-K183 PolarHBondContact O-N 3.28Å; I180-I184 HydrophobicContact CG2-CD1 3.65Å; I180-I184 HydrophobicContact CG2-CG1 4.12Å; I180-I184 VanDerWaalsContact O-CG1 3.32Å; I180-I184 WeakPolarHBondContact O-CG1 3.4Å; I180-I184 PolarHBondContact O-N 3.39Å |
| 181 | D | 94.4 | Very high | 88.3 | Confident | 118 Ų | 118 | 107 Ų | 107 | 63% | 0.631 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.9 | -38.4 | -179 | -64.9 | -23.8 | 0 | 0 | 0 | 113.2 | G179 I184 K185 | G179-D181 PolarHBondContact O-N 3.27Å; D181-I184 PolarHBondContact O-N 2.87Å; D181-K185 WeakPolarHBondContact O-CB 3.27Å; D181-K185 WeakPolarHBondContact O-CG 3.33Å; D181-K185 PolarHBondContact O-N 2.88Å |
| 182 | A | 93.4 | Very high | 89.4 | Confident | 36 Ų | 36 | 108.4 Ų | 108.4 | 30% | 0.298 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.3 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L178 G179 I180 K185 N186 | L178-A182 HydrophobicContact CB-CB 4.32Å; L178-A182 VanDerWaalsContact O-CB 3.23Å; L178-A182 WeakPolarHBondContact O-CB 3.41Å; G179-A182 PolarHBondContact O-N 2.87Å; I180-A182 PolarHBondContact O-N 3.48Å; A182-K185 PolarHBondContact O-N 3.4Å; A182-N186 VanDerWaalsContact O-CG 3.24Å; A182-N186 PolarHBondContact O-N 2.85Å; A182-N186 PolarHBondContact O-ND2 2.84Å |
| 183 | K | 93 | Very high | 90.5 | Very high | 142 Ų | 142 | 109.5 Ų | 109.5 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.8 | -46 | 173.9 | -171 | 178.7 | -65.8 | 178 | 0 | 111.3 | G179 I180 N186 I187 | G179-K183 PolarHBondContact O-N 3.15Å; I180-K183 WeakPolarHBondContact O-CB 3.42Å; I180-K183 PolarHBondContact O-N 3.28Å; K183-N186 PolarHBondContact O-N 3Å; K183-I187 HydrophobicContact CG-CD1 4.15Å; K183-I187 VanDerWaalsContact O-CG1 3.26Å; K183-I187 WeakPolarHBondContact O-CG1 3.26Å; K183-I187 PolarHBondContact O-N 2.88Å |
| 184 | I | 95.4 | Very high | 91.5 | Very high | 78 Ų | 78 | 109.8 Ų | 109.8 | 40% | 0.4 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.1 | -44.6 | 177.5 | -70.5 | 172.1 | 0 | 0 | 0 | 111.1 | I180 D181 N186 I187 I188 | I180-I184 HydrophobicContact CG2-CD1 3.65Å; I180-I184 HydrophobicContact CG2-CG1 4.12Å; I180-I184 VanDerWaalsContact O-CG1 3.32Å; I180-I184 WeakPolarHBondContact O-CG1 3.4Å; I180-I184 PolarHBondContact O-N 3.39Å; D181-I184 PolarHBondContact O-N 2.87Å; I184-N186 VanDerWaalsContact C-N 3.31Å; I184-N186 PolarHBondContact O-N 3.33Å; I184-I187 WeakPolarHBondContact O-CB 3.42Å; I184-I187 PolarHBondContact O-N 3.45Å; I184-I187 VanDerWaalsContact O-N 3.15Å; I184-I188 HydrophobicContact CG2-CD1 3.67Å; I184-I188 HydrophobicContact CG2-CG1 4.26Å; I184-I188 WeakPolarHBondContact O-CG1 3.26Å; I184-I188 PolarHBondContact O-N 2.85Å |
| 185 | K | 96.9 | Very high | 92.3 | Very high | 136 Ų | 136 | 108.3 Ų | 108.3 | 59% | 0.591 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.2 | -42.4 | 177 | -77.4 | 175 | -177 | 175.1 | 0 | 112 | D181 A182 I187 I188 Q189 | D181-K185 WeakPolarHBondContact O-CB 3.27Å; D181-K185 WeakPolarHBondContact O-CG 3.33Å; D181-K185 PolarHBondContact O-N 2.88Å; A182-K185 PolarHBondContact O-N 3.4Å; K185-I187 VanDerWaalsContact C-N 3.35Å; K185-I188 PolarHBondContact O-N 3.04Å; K185-Q189 WeakPolarHBondContact O-CB 3.34Å; K185-Q189 VanDerWaalsContact O-CG 3.29Å; K185-Q189 WeakPolarHBondContact O-CG 3.25Å; K185-Q189 PolarHBondContact O-N 3.41Å |
| 186 | N | 95.2 | Very high | 93.2 | Very high | 90 Ų | 90 | 106.3 Ų | 106.3 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.4 | -38.9 | 176.5 | -67.3 | -13.3 | 0 | 0 | 0 | 111.8 | A182 K183 I184 Q189 T190 | A182-N186 VanDerWaalsContact O-CG 3.24Å; A182-N186 PolarHBondContact O-N 2.85Å; A182-N186 PolarHBondContact O-ND2 2.84Å; K183-N186 PolarHBondContact O-N 3Å; I184-N186 VanDerWaalsContact C-N 3.31Å; I184-N186 PolarHBondContact O-N 3.33Å; N186-Q189 PolarHBondContact O-N 2.97Å; N186-T190 WeakPolarHBondContact O-CB 3.32Å; N186-T190 VanDerWaalsContact O-CG2 3.29Å; N186-T190 WeakPolarHBondContact O-CG2 3.49Å; N186-T190 PolarHBondContact O-N 3.27Å; N186-T190 PolarHBondContact O-OG1 2.83Å |
| 187 | I | 95.6 | Very high | 93.7 | Very high | 93 Ų | 93 | 105.3 Ų | 105.3 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 174.6 | -67.9 | 164 | 0 | 0 | 0 | 110.5 | K183 I184 K185 Q189 T190 E191 | K183-I187 HydrophobicContact CG-CD1 4.15Å; K183-I187 VanDerWaalsContact O-CG1 3.26Å; K183-I187 WeakPolarHBondContact O-CG1 3.26Å; K183-I187 PolarHBondContact O-N 2.88Å; I184-I187 WeakPolarHBondContact O-CB 3.42Å; I184-I187 PolarHBondContact O-N 3.45Å; I184-I187 VanDerWaalsContact O-N 3.15Å; K185-I187 VanDerWaalsContact C-N 3.35Å; I187-Q189 PolarHBondContact O-N 3.41Å; I187-T190 PolarHBondContact O-N 3.42Å; I187-T190 PolarHBondContact O-OG1 3.32Å; I187-T190 VanDerWaalsContact O-OG1 3.04Å; I187-E191 VanDerWaalsContact O-CB 3.26Å; I187-E191 WeakPolarHBondContact O-CB 3.48Å; I187-E191 PolarHBondContact O-N 2.98Å |
| 188 | I | 97.1 | Very high | 94.1 | Very high | 91 Ų | 91 | 102.6 Ų | 102.6 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 178.9 | -66.9 | 167 | 0 | 0 | 0 | 110.7 | I184 K185 T190 E191 E192 | I184-I188 HydrophobicContact CG2-CD1 3.67Å; I184-I188 HydrophobicContact CG2-CG1 4.26Å; I184-I188 WeakPolarHBondContact O-CG1 3.26Å; I184-I188 PolarHBondContact O-N 2.85Å; K185-I188 PolarHBondContact O-N 3.04Å; I188-T190 PolarHBondContact O-N 3.24Å; I188-E191 PolarHBondContact O-N 2.89Å; I188-E192 WeakPolarHBondContact O-CB 3.35Å; I188-E192 PolarHBondContact O-N 3.48Å |
| 189 | Q | 96.9 | Very high | 94.5 | Very high | 121 Ų | 121 | 98.2 Ų | 98.2 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | -179.2 | -74.5 | 177.4 | -4.5 | 0 | 0 | 112.3 | K185 N186 I187 A193 | K185-Q189 WeakPolarHBondContact O-CB 3.34Å; K185-Q189 VanDerWaalsContact O-CG 3.29Å; K185-Q189 WeakPolarHBondContact O-CG 3.25Å; K185-Q189 PolarHBondContact O-N 3.41Å; N186-Q189 PolarHBondContact O-N 2.97Å; I187-Q189 PolarHBondContact O-N 3.41Å; Q189-A193 WeakPolarHBondContact O-CB 3.37Å; Q189-A193 PolarHBondContact O-N 3.39Å |
| 190 | T | 96.6 | Very high | 94.3 | Very high | 96 Ų | 96 | 101.4 Ų | 101.4 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.4 | -34.7 | 178.8 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | N186 I187 I188 K194 | N186-T190 WeakPolarHBondContact O-CB 3.32Å; N186-T190 VanDerWaalsContact O-CG2 3.29Å; N186-T190 WeakPolarHBondContact O-CG2 3.49Å; N186-T190 PolarHBondContact O-N 3.27Å; N186-T190 PolarHBondContact O-OG1 2.83Å; I187-T190 PolarHBondContact O-N 3.42Å; I187-T190 PolarHBondContact O-OG1 3.32Å; I187-T190 VanDerWaalsContact O-OG1 3.04Å; I188-T190 PolarHBondContact O-N 3.24Å; T190-K194 VanDerWaalsContact O-CB 3.25Å; T190-K194 WeakPolarHBondContact O-CB 3.41Å; T190-K194 PolarHBondContact O-N 2.92Å |
| 191 | E | 96.2 | Very high | 94 | Very high | 130 Ų | 130 | 100.3 Ų | 100.3 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.8 | -43.7 | 172.9 | -173.8 | 175.6 | -164 | 0 | 0 | 111.9 | I187 I188 K194 A195 | I187-E191 VanDerWaalsContact O-CB 3.26Å; I187-E191 WeakPolarHBondContact O-CB 3.48Å; I187-E191 PolarHBondContact O-N 2.98Å; I188-E191 PolarHBondContact O-N 2.89Å; E191-K194 PolarHBondContact O-N 3.01Å; E191-A195 WeakPolarHBondContact O-CB 3.36Å; E191-A195 PolarHBondContact O-N 2.85Å |
| 192 | E | 96.1 | Very high | 93.4 | Very high | 136 Ų | 136 | 103.6 Ų | 103.6 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -47 | 176.4 | -173.7 | -178.7 | 179.5 | 0 | 0 | 111.2 | I188 K194 A195 K196 | I188-E192 WeakPolarHBondContact O-CB 3.35Å; I188-E192 PolarHBondContact O-N 3.48Å; E192-K194 VanDerWaalsContact C-N 3.33Å; E192-K194 PolarHBondContact O-N 2.9Å; E192-A195 PolarHBondContact O-N 3.32Å; E192-K196 WeakPolarHBondContact O-CB 3.43Å; E192-K196 PolarHBondContact O-N 3.38Å |
| 193 | A | 95.2 | Very high | 92.6 | Very high | 60 Ų | 60 | 105.8 Ų | 105.8 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q189 K196 L197 | Q189-A193 WeakPolarHBondContact O-CB 3.37Å; Q189-A193 PolarHBondContact O-N 3.39Å; A193-K196 PolarHBondContact O-N 3.09Å; A193-L197 WeakPolarHBondContact O-CB 3.47Å; A193-L197 PolarHBondContact O-N 3.22Å |
| 194 | K | 96.6 | Very high | 91.6 | Very high | 144 Ų | 144 | 104.9 Ų | 104.9 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 175.9 | -177.1 | 179.8 | -179.6 | 178.4 | 0 | 112 | T190 E191 E192 K196 L197 L198 | T190-K194 VanDerWaalsContact O-CB 3.25Å; T190-K194 WeakPolarHBondContact O-CB 3.41Å; T190-K194 PolarHBondContact O-N 2.92Å; E191-K194 PolarHBondContact O-N 3.01Å; E192-K194 VanDerWaalsContact C-N 3.33Å; E192-K194 PolarHBondContact O-N 2.9Å; K194-K196 VanDerWaalsContact C-N 3.34Å; K194-L197 PolarHBondContact O-N 2.84Å; K194-L198 HydrophobicContact CG-CD1 4.3Å; K194-L198 WeakPolarHBondContact O-CG 3.41Å; K194-L198 PolarHBondContact O-N 3.21Å |
| 195 | A | 94.9 | Very high | 90.1 | Very high | 58 Ų | 58 | 109.4 Ų | 109.4 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E191 E192 L198 A199 | E191-A195 WeakPolarHBondContact O-CB 3.36Å; E191-A195 PolarHBondContact O-N 2.85Å; E192-A195 PolarHBondContact O-N 3.32Å; A195-L198 PolarHBondContact O-N 3.34Å; A195-A199 WeakPolarHBondContact O-CB 3.22Å; A195-A199 PolarHBondContact O-N 3.48Å |
| 196 | K | 94.8 | Very high | 88.4 | Confident | 155 Ų | 155 | 110.3 Ų | 110.3 | 67% | 0.674 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.5 | -46.2 | 175.8 | -172.9 | 178.7 | 179.6 | -178 | 0 | 112 | E192 A193 K194 L198 A199 E200 | E192-K196 WeakPolarHBondContact O-CB 3.43Å; E192-K196 PolarHBondContact O-N 3.38Å; A193-K196 PolarHBondContact O-N 3.09Å; K194-K196 VanDerWaalsContact C-N 3.34Å; K196-L198 PolarHBondContact O-N 3.47Å; K196-A199 PolarHBondContact O-N 3.35Å; K196-E200 WeakPolarHBondContact O-CB 3.42Å; K196-E200 PolarHBondContact O-N 2.88Å |
| 197 | L | 91.5 | Very high | 86.7 | Confident | 94 Ų | 94 | 112.5 Ų | 112.5 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.3 | -44.4 | 177.5 | -169.9 | 166.2 | 0 | 0 | 0 | 111.3 | A193 K194 A199 E200 Q201 | A193-L197 WeakPolarHBondContact O-CB 3.47Å; A193-L197 PolarHBondContact O-N 3.22Å; K194-L197 PolarHBondContact O-N 2.84Å; L197-A199 PolarHBondContact O-N 2.91Å; L197-E200 PolarHBondContact O-N 3.12Å; L197-Q201 HydrophobicContact CD2-CG 4.03Å; L197-Q201 WeakPolarHBondContact O-CG 3.28Å; L197-Q201 PolarHBondContact O-N 3.48Å |
| 198 | L | 91.1 | Very high | 85 | Confident | 86 Ų | 86 | 116.3 Ų | 116.3 | 45% | 0.45 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.7 | -37.6 | 176.1 | -74.6 | 170.9 | 0 | 0 | 0 | 112.7 | K194 A195 K196 R202 | K194-L198 HydrophobicContact CG-CD1 4.3Å; K194-L198 WeakPolarHBondContact O-CG 3.41Å; K194-L198 PolarHBondContact O-N 3.21Å; A195-L198 PolarHBondContact O-N 3.34Å; K196-L198 PolarHBondContact O-N 3.47Å; L198-R202 WeakPolarHBondContact O-CB 3.33Å; L198-R202 WeakPolarHBondContact O-CG 3.49Å; L198-R202 PolarHBondContact O-N 3.21Å |
| 199 | A | 90.3 | Very high | 83.2 | Confident | 47 Ų | 47 | 114.3 Ų | 114.3 | 39% | 0.388 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.1 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A195 K196 L197 R202 N203 | A195-A199 WeakPolarHBondContact O-CB 3.22Å; A195-A199 PolarHBondContact O-N 3.48Å; K196-A199 PolarHBondContact O-N 3.35Å; L197-A199 PolarHBondContact O-N 2.91Å; A199-R202 PolarHBondContact O-N 3.04Å; A199-N203 VanDerWaalsContact O-CG 3.29Å; A199-N203 PolarHBondContact O-N 3.38Å |
| 200 | E | 87.3 | Confident | 81.2 | Confident | 94 Ų | 94 | 114.2 Ų | 114.2 | 44% | 0.439 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.3 | -43.4 | 176.6 | -164.8 | -172.8 | 145 | 0 | 0 | 111.9 | K196 L197 R202 N203 K204 | K196-E200 WeakPolarHBondContact O-CB 3.42Å; K196-E200 PolarHBondContact O-N 2.88Å; L197-E200 PolarHBondContact O-N 3.12Å; E200-R202 VanDerWaalsContact C-N 3.3Å; E200-R202 PolarHBondContact O-N 2.9Å; E200-N203 PolarHBondContact O-N 3.41Å; E200-K204 HydrophobicContact CG-CD 4.31Å; E200-K204 WeakPolarHBondContact O-CB 3.2Å; E200-K204 WeakPolarHBondContact O-CG 3.4Å; E200-K204 PolarHBondContact O-N 2.86Å; E200-K204 WeakPolarHBondContact OE1-CE 3.31Å; E200-K204 IonicContact OE1-NZ 2.69Å; E200-K204 PolarHBondContact OE1-NZ 2.97Å |
| 201 | Q | 84.6 | Confident | 79.4 | Confident | 102 Ų | 102 | 115.7 Ų | 115.7 | 48% | 0.477 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61 | -37.3 | 173.6 | -76.4 | -171.6 | 20.3 | 0 | 0 | 112.7 | L197 K205 | L197-Q201 HydrophobicContact CD2-CG 4.03Å; L197-Q201 WeakPolarHBondContact O-CG 3.28Å; L197-Q201 PolarHBondContact O-N 3.48Å; Q201-K205 PolarHBondContact O-N 2.93Å |
| 202 | R | 81.8 | Confident | 77.5 | Confident | 187 Ų | 187 | 118.3 Ų | 118.3 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.9 | -36.9 | 175.9 | -77.8 | 176.5 | 171.1 | -171.3 | -1.3 | 112.2 | L198 A199 E200 | L198-R202 WeakPolarHBondContact O-CB 3.33Å; L198-R202 WeakPolarHBondContact O-CG 3.49Å; L198-R202 PolarHBondContact O-N 3.21Å; A199-R202 PolarHBondContact O-N 3.04Å; E200-R202 VanDerWaalsContact C-N 3.3Å; E200-R202 PolarHBondContact O-N 2.9Å |
| 203 | N | 76.8 | Confident | 75.8 | Confident | 82 Ų | 82 | 116.1 Ų | 116.1 | 44% | 0.439 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.9 | -39.5 | 178.5 | -67.2 | -14 | 0 | 0 | 0 | 111.7 | A199 E200 K205 K206 D207 | A199-N203 VanDerWaalsContact O-CG 3.29Å; A199-N203 PolarHBondContact O-N 3.38Å; E200-N203 PolarHBondContact O-N 3.41Å; N203-K205 PolarHBondContact O-N 2.89Å; N203-K206 WeakPolarHBondContact O-CA 3.44Å; N203-K206 WeakPolarHBondContact O-CB 3.3Å; N203-K206 PolarHBondContact O-N 2.88Å; N203-D207 PolarHBondContact O-N 3.32Å |
| 204 | K | 73.6 | Confident | 74.6 | Confident | 123 Ų | 123 | 117.9 Ų | 117.9 | 54% | 0.535 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -54.8 | -37.2 | 172.6 | -78.7 | 171.8 | 166 | 167.4 | 0 | 113 | E200 K206 Q208 | E200-K204 HydrophobicContact CG-CD 4.31Å; E200-K204 WeakPolarHBondContact O-CB 3.2Å; E200-K204 WeakPolarHBondContact O-CG 3.4Å; E200-K204 PolarHBondContact O-N 2.86Å; E200-K204 WeakPolarHBondContact OE1-CE 3.31Å; E200-K204 IonicContact OE1-NZ 2.69Å; E200-K204 PolarHBondContact OE1-NZ 2.97Å; K204-K206 VanDerWaalsContact C-N 3.32Å; K204-Q208 VanDerWaalsContact O-CG 3.3Å; K204-Q208 WeakPolarHBondContact O-CG 3.46Å; K204-Q208 PolarHBondContact O-N 3.33Å |
| 205 | K | 63.3 | Low | 73.2 | Confident | 173 Ų | 173 | 117.9 Ų | 117.9 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72 | -22.4 | 174.7 | -69.8 | -179 | -177.4 | -176.4 | 0 | 114 | Q201 N203 | Q201-K205 PolarHBondContact O-N 2.93Å; N203-K205 PolarHBondContact O-N 2.89Å |
| 206 | K | 61.8 | Low | 71.7 | Confident | 154 Ų | 154 | 120 Ų | 120 | 67% | 0.67 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -87.1 | -36.4 | 176.5 | -69 | 177.5 | 179.4 | -178.1 | 0 | 111.7 | N203 K204 G209 | N203-K206 WeakPolarHBondContact O-CA 3.44Å; N203-K206 WeakPolarHBondContact O-CB 3.3Å; N203-K206 PolarHBondContact O-N 2.88Å; K204-K206 VanDerWaalsContact C-N 3.32Å; K206-G209 PolarHBondContact O-N 3.21Å |
| 207 | D | 59.4 | Low | 70.1 | Confident | 137 Ų | 137 | 117.9 Ų | 117.9 | 73% | 0.733 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -81.2 | -16 | -176.5 | -65.8 | -23.3 | 0 | 0 | 0 | 113.8 | N203 G209 | N203-D207 PolarHBondContact O-N 3.32Å; D207-G209 VanDerWaalsContact C-N 3.28Å |
| 208 | Q | 59.8 | Low | 68.5 | Low | 172 Ų | 172 | 116.8 Ų | 116.8 | 80% | 0.804 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 0.8 | 169.7 | -69 | -109.2 | 10 | 0 | 0 | 113.1 | K204 T210 | K204-Q208 VanDerWaalsContact O-CG 3.3Å; K204-Q208 WeakPolarHBondContact O-CG 3.46Å; K204-Q208 PolarHBondContact O-N 3.33Å; Q208-T210 PolarHBondContact O-N 2.89Å |
| 209 | G | 57.9 | Low | 66.8 | Low | 50 Ų | 50 | 117.3 Ų | 117.3 | 52% | 0.515 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -82.6 | 106.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | K206 D207 S211 | K206-G209 PolarHBondContact O-N 3.21Å; D207-G209 VanDerWaalsContact C-N 3.28Å; G209-S211 PolarHBondContact O-N 3.11Å; G209-S211 VanDerWaalsContact O-N 3.11Å |
| 210 | T | 55.6 | Low | 65.2 | Low | 118 Ų | 118 | 121.9 Ų | 121.9 | 72% | 0.724 | 65% | 0.648 | S | S | * | * | trans | -48.5 | 118 | 173.3 | 54.9 | 0 | 0 | 0 | 0 | 110.5 | Q208 F212 | Q208-T210 PolarHBondContact O-N 2.89Å; T210-F212 PolarHBondContact O-N 3.42Å | ||
| 211 | S | 58.4 | Low | 63.8 | Low | 128 Ų | 128 | 125.8 Ų | 125.8 | 90% | 0.895 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 12.2 | -179.8 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | G209 | G209-S211 PolarHBondContact O-N 3.11Å; G209-S211 VanDerWaalsContact O-N 3.11Å |
| 212 | F | 57.9 | Low | 62.5 | Low | 185 Ų | 185 | 125.5 Ų | 125.5 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -12.9 | -173.4 | -167.7 | -106 | 0 | 0 | 0 | 114 | T210 | T210-F212 PolarHBondContact O-N 3.42Š|
| 213 | V | 60.1 | Low | 61.5 | Low | 90 Ų | 90 | 125 Ų | 125 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -131.7 | 114.6 | 173.4 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | T215 I217 | V213-T215 PolarHBondContact O-N 2.94Å; V213-T215 VanDerWaalsContact O-N 3.12Å; V213-I217 HydrophobicContact CG1-CD1 3.99Å |
| 214 | P | 68.4 | Low | 60.4 | Low | 96 Ų | 96 | 128.5 Ų | 128.5 | 62% | 0.623 | 68% | 0.684 | S | S | * | * | trans | -52.3 | 122.3 | 170.4 | -26.9 | 35.3 | 0 | 0 | 0 | 109.7 | N216 | P214-N216 PolarHBondContact O-N 3.12Š| ||
| 215 | T | 67.1 | Low | 59.8 | Low | 145 Ų | 145 | 128.5 Ų | 128.5 | 89% | 0.89 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 109.3 | 168.1 | 29 | 0 | 0 | 0 | 0 | 106.4 | V213 | V213-T215 PolarHBondContact O-N 2.94Å; V213-T215 VanDerWaalsContact O-N 3.12Å |
| 216 | N | 64.9 | Low | 59.4 | Low | 102 Ų | 102 | 132.2 Ų | 132.2 | 55% | 0.545 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 108 | 55.5 | 171.4 | -141.8 | -1.1 | 0 | 0 | 0 | 117.7 | P214 A218 V219 | P214-N216 PolarHBondContact O-N 3.12Å; N216-A218 VanDerWaalsContact C-N 3.28Å; N216-V219 HydrophobicContact CB-CG2 4.07Å; N216-V219 WeakPolarHBondContact ND2-CG1 3.38Å; N216-V219 WeakPolarHBondContact ND2-CG2 3.15Å; N216-V219 WeakPolarHBondContact OD1-CB 3.24Å; N216-V219 WeakPolarHBondContact OD1-CG1 3.19Å; N216-V219 WeakPolarHBondContact OD1-CG2 3.46Å; N216-V219 PolarHBondContact OD1-N 3.31Å |
| 217 | I | 59.9 | Low | 58.7 | Low | 111 Ų | 111 | 133 Ų | 133 | 57% | 0.569 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -73.2 | -21 | 163.1 | -68.1 | 168.1 | 0 | 0 | 0 | 111.8 | V213 Y221 | V213-I217 HydrophobicContact CG1-CD1 3.99Å; I217-Y221 HydrophobicContact CG2-CE2 4.3Å; I217-Y221 VanDerWaalsContact O-CD2 3.3Å; I217-Y221 WeakPolarHBondContact O-CD2 3.07Å; I217-Y221 WeakPolarHBondContact O-CE2 3.3Å |
| 218 | A | 58.7 | Low | 58 | Low | 71 Ų | 71 | 136.1 Ų | 136.1 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -94.5 | -6.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | N216 N220 Y221 | N216-A218 VanDerWaalsContact C-N 3.28Å; A218-N220 PolarHBondContact O-N 3.18Å; A218-Y221 PolarHBondContact O-N 3.04Å |
| 219 | V | 55.6 | Low | 57.5 | Low | 96 Ų | 96 | 136.3 Ų | 136.3 | 58% | 0.582 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -66.6 | -14.8 | 179.2 | -95.6 | 0 | 0 | 0 | 0 | 115 | N216 | N216-V219 HydrophobicContact CB-CG2 4.07Å; N216-V219 WeakPolarHBondContact ND2-CG1 3.38Å; N216-V219 WeakPolarHBondContact ND2-CG2 3.15Å; N216-V219 WeakPolarHBondContact OD1-CB 3.24Å; N216-V219 WeakPolarHBondContact OD1-CG1 3.19Å; N216-V219 WeakPolarHBondContact OD1-CG2 3.46Å; N216-V219 PolarHBondContact OD1-N 3.31Å |
| 220 | N | 56.9 | Low | 57.1 | Low | 143 Ų | 143 | 142.1 Ų | 142.1 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -111.2 | 8.5 | 179.6 | -79.9 | -7.5 | 0 | 0 | 0 | 115 | A218 | A218-N220 PolarHBondContact O-N 3.18Š|
| 221 | Y | 56.5 | Low | 56.6 | Low | 176 Ų | 176 | 143.2 Ų | 143.2 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | trans | -110.2 | 10.2 | -178.4 | -69.4 | -70.8 | 0 | 0 | 0 | 115.4 | I217 A218 Q223 | I217-Y221 HydrophobicContact CG2-CE2 4.3Å; I217-Y221 VanDerWaalsContact O-CD2 3.3Å; I217-Y221 WeakPolarHBondContact O-CD2 3.07Å; I217-Y221 WeakPolarHBondContact O-CE2 3.3Å; A218-Y221 PolarHBondContact O-N 3.04Å; Y221-Q223 PolarHBondContact O-N 3.44Å | ||
| 222 | V | 58.3 | Low | 56.4 | Low | 97 Ų | 97 | 144.2 Ų | 144.2 | 59% | 0.588 | 72% | 0.722 | S | S | * | * | trans | -84.7 | 74.4 | 163.4 | -160.4 | 0 | 0 | 0 | 0 | 108.8 | H224 | V222-H224 VanDerWaalsContact C-N 3.26Å; V222-H224 WeakPolarHBondContact CG1-CE1 3.39Å; V222-H224 WeakPolarHBondContact CG1-ND1 3.47Å; V222-H224 WeakPolarHBondContact CG1-NE2 3.39Å; V222-H224 PolarHBondContact O-N 2.93Å; V222-H224 PolarHBondContact O-ND1 2.85Å | ||
| 223 | Q | 60.8 | Low | 56.1 | Low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -64 | 93.7 | 158 | -70 | -174.6 | -11.4 | 0 | 0 | 107.2 | Y221 N225 | Y221-Q223 PolarHBondContact O-N 3.44Å; Q223-N225 PolarHBondContact O-N 2.75Å; Q223-N225 VanDerWaalsContact O-N 3.07Å | ||
| 224 | H | 54 | Low | 55.5 | Low | 157 Ų | 157 | 142.8 Ų | 142.8 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | -70.6 | 103.6 | 171.2 | -73.5 | 100.7 | 0 | 0 | 0 | 109.2 | V222 | V222-H224 VanDerWaalsContact C-N 3.26Å; V222-H224 WeakPolarHBondContact CG1-CE1 3.39Å; V222-H224 WeakPolarHBondContact CG1-ND1 3.47Å; V222-H224 WeakPolarHBondContact CG1-NE2 3.39Å; V222-H224 PolarHBondContact O-N 2.93Å; V222-H224 PolarHBondContact O-ND1 2.85Å | ||
| 225 | N | 61 | Low | 54.5 | Low | 123 Ų | 123 | 143.8 Ų | 143.8 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | trans | 45.9 | 81.3 | 148.3 | -62.1 | -11.4 | 0 | 0 | 0 | 117.6 | Q223 | Q223-N225 PolarHBondContact O-N 2.75Å; Q223-N225 VanDerWaalsContact O-N 3.07Å | ||
| 226 | R | 54.8 | Low | 53.7 | Low | 250 Ų | 250 | 144.6 Ų | 144.6 | 94% | 0.943 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -86 | 15.2 | 162.2 | -154.2 | -177.9 | -175.6 | -141.3 | 0 | 113.3 | ||
| 227 | F | 47.7 | Very low | 52.9 | Low | 171 Ų | 171 | 150.6 Ų | 150.6 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | trans | -145.4 | 57 | -175.1 | -149.7 | -91.3 | 0 | 0 | 0 | 113 | ||||
| 228 | Y | 43.8 | Very low | 52.3 | Low | 203 Ų | 203 | 153 Ų | 153 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | -145.4 | 94.2 | 152.3 | -71.5 | -68.9 | 0 | 0 | 0 | 107.6 | ||||
| 229 | H | 49.5 | Very low | 51.5 | Low | 176 Ų | 176 | 157.7 Ų | 157.7 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | -70.9 | 151 | 160.8 | -80.9 | -84.4 | 0 | 0 | 0 | 109.5 | ||||
| 230 | E | 48.5 | Very low | 51.2 | Low | 172 Ų | 172 | 164.6 Ų | 164.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 74.1 | 118 | 168.7 | -47.2 | -161.6 | 153.6 | 0 | 0 | 114.3 | ||||
| 231 | D | 45.8 | Very low | 50.6 | Low | 141 Ų | 141 | 166.1 Ų | 166.1 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | -146.4 | 140.9 | 51.5 | -72.1 | -50 | 0 | 0 | 0 | 113.3 | N233 | D231-N233 VanDerWaalsContact C-N 3.27Å; D231-N233 PolarHBondContact O-N 2.99Å | |||
| 232 | V | 54.6 | Low | 50.3 | Low | 149 Ų | 149 | 167.2 Ų | 167.2 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -86.7 | 20.9 | -176.9 | -156.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 233 | N | 51.2 | Low | 50.3 | Low | 158 Ų | 158 | 171.2 Ų | 171.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -149.3 | 36.4 | -170.5 | -109.5 | -14.2 | 0 | 0 | 0 | 116.9 | D231 | D231-N233 VanDerWaalsContact C-N 3.27Å; D231-N233 PolarHBondContact O-N 2.99Å | ||
| 234 | A | 47.7 | Very low | 50.4 | Low | 87 Ų | 87 | 171.1 Ų | 171.1 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | trans | -97.2 | 118.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q236 | A234-Q236 PolarHBondContact O-N 3.19Š| ||
| 235 | P | 47.3 | Very low | 50.9 | Low | 117 Ų | 117 | 169.7 Ų | 169.7 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -70.2 | 125.1 | 178.3 | 26.4 | -31.9 | 0 | 0 | 0 | 111.6 | R237 | P235-R237 PolarHBondContact O-N 3.07Š| ||
| 236 | Q | 49.7 | Very low | 51 | Low | 161 Ų | 161 | 173.6 Ų | 173.6 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -51 | 103.6 | 173.7 | -81.2 | -80.7 | -15.8 | 0 | 0 | 112 | A234 H238 | A234-Q236 PolarHBondContact O-N 3.19Å; Q236-H238 VanDerWaalsContact C-N 3.32Å; Q236-H238 PolarHBondContact O-N 3.4Å; Q236-H238 PolarHBondContact OE1-CD2 3.24Å; Q236-H238 PolarHBondContact OE1-NE2 3.04Å | ||
| 237 | R | 49.4 | Very low | 51.3 | Low | 229 Ų | 229 | 166.4 Ų | 166.4 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -80.9 | 77.2 | 169.9 | -72.7 | -170.1 | 179.4 | -173.2 | 1.4 | 110.7 | P235 | P235-R237 PolarHBondContact O-N 3.07Š| ||
| 238 | H | 46.8 | Very low | 52.2 | Low | 161 Ų | 161 | 169 Ų | 169 | 75% | 0.745 | 82% | 0.818 | S | S | * | * | trans | -96.3 | 74.2 | 160.1 | -81.3 | -54.5 | 0 | 0 | 0 | 110.4 | Q236 | Q236-H238 VanDerWaalsContact C-N 3.32Å; Q236-H238 PolarHBondContact O-N 3.4Å; Q236-H238 PolarHBondContact OE1-CD2 3.24Å; Q236-H238 PolarHBondContact OE1-NE2 3.04Å | ||
| 239 | H | 42.1 | Very low | 53 | Low | 169 Ų | 169 | 165.4 Ų | 165.4 | 78% | 0.782 | 82% | 0.819 | S | S | * | * | trans | -91.9 | 91.8 | 163.7 | -86.7 | -62.6 | 0 | 0 | 0 | 109.7 | ||||
| 240 | R | 48.2 | Very low | 53.3 | Low | 241 Ų | 241 | 164.5 Ų | 164.5 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -80.8 | 106.3 | 154.8 | -79.3 | -177 | 176.5 | 174.6 | 0.1 | 107.1 | K242 | R240-K242 PolarHBondContact O-N 3.28Å; R240-K242 VanDerWaalsContact O-N 3.08Å | ||
| 241 | H | 44.4 | Very low | 53.9 | Low | 175 Ų | 175 | 167 Ų | 167 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -63.1 | 107.7 | 164.4 | -84.2 | -84.6 | 0 | 0 | 0 | 108.3 | E243 | H241-E243 PolarHBondContact O-N 2.83Š| ||
| 242 | K | 51.9 | Low | 54 | Low | 199 Ų | 199 | 167.9 Ų | 167.9 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | trans | -87.7 | 94.8 | 166.5 | -169.9 | 171 | -177.2 | -176.1 | 0 | 105.9 | R240 E244 | R240-K242 PolarHBondContact O-N 3.28Å; R240-K242 VanDerWaalsContact O-N 3.08Å; K242-E244 PolarHBondContact O-N 3.35Å | ||
| 243 | E | 57.3 | Low | 54.3 | Low | 181 Ų | 181 | 163.7 Ų | 163.7 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125.5 | 170.9 | -76.5 | -173.5 | 154.6 | 0 | 0 | 108.8 | H241 | H241-E243 PolarHBondContact O-N 2.83Š|
| 244 | E | 63 | Low | 53.9 | Low | 174 Ų | 174 | 162.7 Ų | 162.7 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 140.9 | 172 | -67.2 | -173.2 | 160.7 | 0 | 0 | 110.1 | K242 K246 | K242-E244 PolarHBondContact O-N 3.35Å; E244-K246 PolarHBondContact O-N 3.43Å |
| 245 | P | 65.4 | Low | 54 | Low | 127 Ų | 127 | 164.7 Ų | 164.7 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 121.4 | 179.8 | 26.6 | -32.5 | 0 | 0 | 0 | 110.2 | A247 | P245-A247 PolarHBondContact O-N 2.71Š|
| 246 | K | 62.6 | Low | 54.2 | Low | 204 Ų | 204 | 167.9 Ų | 167.9 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 128.7 | 172.9 | -72 | 177.7 | 178.4 | 177.1 | 0 | 110.3 | E244 | E244-K246 PolarHBondContact O-N 3.43Š|
| 247 | A | 59.8 | Low | 54.7 | Low | 100 Ų | 100 | 170.1 Ų | 170.1 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 135 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P245 | P245-A247 PolarHBondContact O-N 2.71Š|
| 248 | R | 68.1 | Low | 54.8 | Low | 225 Ų | 225 | 165.2 Ų | 165.2 | 85% | 0.849 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 144.1 | 174 | -63.8 | -179.6 | 179.8 | -172.8 | 0.2 | 109.2 | L250 | R248-L250 PolarHBondContact O-N 2.94Š|
| 249 | P | 60.2 | Low | 54.9 | Low | 128 Ų | 128 | 160.1 Ų | 160.1 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -66 | 128.8 | 175.2 | 26.9 | -32.2 | 0 | 0 | 0 | 110.1 | R251 | P249-R251 PolarHBondContact O-N 2.85Š|
| 250 | L | 55.6 | Low | 55.3 | Low | 157 Ų | 157 | 158.8 Ų | 158.8 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -61 | 131.6 | 172.8 | -97.1 | 79.2 | 0 | 0 | 0 | 109.9 | R248 | R248-L250 PolarHBondContact O-N 2.94Š|
| 251 | R | 61.6 | Low | 55.1 | Low | 223 Ų | 223 | 156.2 Ų | 156.2 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 139.4 | 158 | -103.2 | -171.6 | 174.1 | 176.9 | -1.5 | 108.3 | P249 G253 | P249-R251 PolarHBondContact O-N 2.85Å; R251-G253 PolarHBondContact O-N 2.69Å |
| 252 | V | 47.5 | Very low | 55.2 | Low | 160 Ų | 160 | 151.7 Ų | 151.7 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 114.1 | 178.6 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 253 | G | 59.8 | Low | 54.8 | Low | 61 Ų | 61 | 148.4 Ų | 148.4 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 153.8 | -25.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R251 T255 | R251-G253 PolarHBondContact O-N 2.69Å; G253-T255 PolarHBondContact O-N 3.49Å |
| 254 | D | 44.4 | Very low | 54.2 | Low | 137 Ų | 137 | 144.8 Ų | 144.8 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -96.7 | 87.1 | -172.8 | -60.8 | -26.9 | 0 | 0 | 0 | 111.3 | E256 | D254-E256 PolarHBondContact O-N 2.97Š| ||
| 255 | T | 50 | Low | 53.1 | Low | 130 Ų | 130 | 142 Ų | 142 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -85.8 | 82 | 167 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | G253 | G253-T255 PolarHBondContact O-N 3.49Š| ||
| 256 | E | 51.2 | Low | 52.2 | Low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -176.7 | 136.3 | 151.6 | -102.3 | 161.8 | -142.4 | 0 | 0 | 110.2 | D254 P258 | D254-E256 PolarHBondContact O-N 2.97Å; E256-P258 WeakPolarHBondContact O-CD 3.1Å |
| 257 | K | 59.8 | Low | 51.4 | Low | 208 Ų | 208 | 140.9 Ų | 140.9 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | trans | -72.1 | 119.4 | 176.5 | -74.6 | 175.9 | 176.7 | 175.8 | 0 | 108.9 | G259 | K257-G259 PolarHBondContact O-N 3.44Š| ||
| 258 | P | 50.5 | Low | 50.7 | Low | 126 Ų | 126 | 144.8 Ų | 144.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -77.9 | 126.5 | 169.2 | 2.6 | 14.4 | 0 | 0 | 0 | 108.8 | E256 | E256-P258 WeakPolarHBondContact O-CD 3.1Š| ||
| 259 | G | 49.6 | Very low | 49.5 | Very low | 54 Ų | 54 | 145 Ų | 145 | 56% | 0.557 | 80% | 0.804 | S | S | * | * | trans | -64.1 | 175.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K257 E261 | K257-G259 PolarHBondContact O-N 3.44Å; G259-E261 PolarHBondContact O-N 2.91Å | ||
| 260 | P | 50.2 | Low | 49 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -72.5 | 100.2 | -178.2 | 29.3 | -30.8 | 0 | 0 | 0 | 110.1 | ||||
| 261 | E | 44.2 | Very low | 48.9 | Very low | 187 Ų | 187 | 150.5 Ų | 150.5 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -75.7 | 147.5 | 169.5 | -76.9 | -160.9 | 152.9 | 0 | 0 | 112.1 | G259 | G259-E261 PolarHBondContact O-N 2.91Š| ||
| 262 | A | 46 | Very low | 48.5 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -54.5 | 155.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S264 | A262-S264 PolarHBondContact O-N 2.97Å; A262-S264 VanDerWaalsContact O-N 3.07Å | ||
| 263 | P | 43.4 | Very low | 48.9 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | trans | -69.8 | 109.1 | -177.9 | 28 | -33 | 0 | 0 | 0 | 111.4 | ||||
| 264 | S | 45.2 | Very low | 48.6 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -55.5 | 150.5 | 165.5 | -70.3 | 0 | 0 | 0 | 0 | 112 | A262 | A262-S264 PolarHBondContact O-N 2.97Å; A262-S264 VanDerWaalsContact O-N 3.07Å | ||
| 265 | P | 40.2 | Very low | 49.3 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | trans | -67.3 | 136.3 | -162.8 | 24.9 | -32.4 | 0 | 0 | 0 | 113.6 | N267 | P265-N267 VanDerWaalsContact C-N 3.34Å; P265-N267 PolarHBondContact O-N 2.97Å | ||
| 266 | L | 47.1 | Very low | 49.9 | Very low | 172 Ų | 172 | 146 Ų | 146 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | trans | -71.2 | 73.5 | -179.4 | -134.2 | 94.7 | 0 | 0 | 0 | 111.6 | ||||
| 267 | N | 44.2 | Very low | 50.7 | Low | 136 Ų | 136 | 140.3 Ų | 140.3 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -134.1 | 61.2 | 171.6 | -83.8 | -44.9 | 0 | 0 | 0 | 111.9 | P265 | P265-N267 VanDerWaalsContact C-N 3.34Å; P265-N267 PolarHBondContact O-N 2.97Å | ||
| 268 | H | 45.3 | Very low | 51 | Low | 182 Ų | 182 | 136.1 Ų | 136.1 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | -115.1 | 83.3 | 152.9 | -63.7 | 23.4 | 0 | 0 | 0 | 105.7 | K270 | H268-K270 PolarHBondContact O-N 3.47Š| ||
| 269 | R | 44.5 | Very low | 52.2 | Low | 230 Ų | 230 | 135.9 Ų | 135.9 | 87% | 0.868 | 74% | 0.735 | S | S | * | * | trans | -54.8 | 109.5 | 163.6 | -92 | -179.6 | 174.9 | 145.9 | -1.4 | 106.1 | R271 | R269-R271 VanDerWaalsContact C-N 3.3Å; R269-R271 PolarHBondContact O-N 3.39Å | ||
| 270 | K | 49.6 | Very low | 53.6 | Low | 208 Ų | 208 | 137.4 Ų | 137.4 | 90% | 0.904 | 73% | 0.73 | S | S | * | * | trans | -54.7 | 101.8 | 162.9 | -69.6 | -176.1 | 178.4 | -177.8 | 0 | 105.9 | H268 | H268-K270 PolarHBondContact O-N 3.47Š| ||
| 271 | R | 53.5 | Low | 54.9 | Low | 191 Ų | 191 | 137.5 Ų | 137.5 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | trans | -61 | 140.7 | 171.3 | -68.3 | -171.1 | -178.4 | -168.8 | 1.2 | 107.3 | R269 N273 | R269-R271 VanDerWaalsContact C-N 3.3Å; R269-R271 PolarHBondContact O-N 3.39Å; R271-N273 PolarHBondContact O-N 3.04Å | ||
| 272 | P | 51.8 | Low | 56.7 | Low | 90 Ų | 90 | 133.9 Ų | 133.9 | 58% | 0.584 | 70% | 0.697 | S | S | * | * | trans | -56.2 | 139.7 | 176.6 | 24.8 | -32.9 | 0 | 0 | 0 | 109.1 | N274 E275 | P272-N274 PolarHBondContact O-N 2.92Å; P272-E275 PolarHBondContact O-N 3.02Å | ||
| 273 | N | 56.1 | Low | 58.4 | Low | 143 Ų | 143 | 136.8 Ų | 136.8 | 77% | 0.765 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -0.7 | -174.5 | -96.4 | -5 | 0 | 0 | 0 | 115.9 | R271 | R271-N273 PolarHBondContact O-N 3.04Š|
| 274 | N | 52.9 | Low | 60.2 | Low | 161 Ų | 161 | 135.6 Ų | 135.6 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -3.1 | -176.8 | -86.7 | 6.2 | 0 | 0 | 0 | 114.8 | P272 | P272-N274 PolarHBondContact O-N 2.92Š|
| 275 | E | 60.3 | Low | 61.9 | Low | 137 Ų | 137 | 136.9 Ų | 136.9 | 64% | 0.64 | 67% | 0.667 | S | S | * | * | trans | -114.4 | 49.9 | 177.4 | -69.7 | 178.6 | -179.3 | 0 | 0 | 111.6 | P272 | P272-E275 PolarHBondContact O-N 3.02Š| ||
| 276 | K | 63.1 | Low | 63.9 | Low | 87 Ų | 87 | 137.4 Ų | 137.4 | 38% | 0.378 | 66% | 0.657 | S | S | . | * | trans | -78.2 | 130.8 | 163.1 | -66 | -171.9 | -173.5 | -179.1 | 0 | 107.6 | D280 E284 | K276-D280 HydrophobicContact CB-CB 3.91Å; K276-D280 HydrophobicContact CD-CB 4.39Å; K276-D280 HydrophobicContact CG-CB 4.49Å; K276-E284 IonicContact NZ-OE1 2.74Å; K276-E284 PolarHBondContact NZ-OE1 3.33Å; K276-E284 IonicContact NZ-OE2 2.68Å; K276-E284 PolarHBondContact NZ-OE2 3.34Å | ||
| 277 | A | 68.2 | Low | 65.8 | Low | 64 Ų | 64 | 135.6 Ų | 135.6 | 53% | 0.529 | 64% | 0.642 | S | S | . | * | trans | -54.1 | 150.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | D279 D280 Y281 | A277-D279 PolarHBondContact O-N 3.09Å; A277-D280 PolarHBondContact O-N 3.38Å; A277-Y281 PolarHBondContact O-N 3.07Å | ||
| 278 | T | 65.8 | Low | 67.7 | Low | 119 Ų | 119 | 136.2 Ų | 136.2 | 73% | 0.73 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -51.1 | -34.9 | -178.9 | 42.4 | 0 | 0 | 0 | 0 | 112 | Y281 H282 | T278-Y281 WeakPolarHBondContact O-CB 3.25Å; T278-Y281 PolarHBondContact O-N 3.2Å; T278-H282 PolarHBondContact O-N 3.42Å; T278-H282 PolarHBondContact O-ND1 3.07Å |
| 279 | D | 75.2 | Confident | 69.2 | Low | 122 Ų | 122 | 133.5 Ų | 133.5 | 65% | 0.652 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.7 | -42.3 | 177.7 | -165.8 | 30.6 | 0 | 0 | 0 | 113.6 | A277 Y281 H282 Y283 | A277-D279 PolarHBondContact O-N 3.09Å; D279-Y281 VanDerWaalsContact C-N 3.26Å; D279-Y281 PolarHBondContact O-N 3.13Å; D279-H282 PolarHBondContact O-N 3.37Å; D279-Y283 WeakPolarHBondContact O-CB 3.49Å; D279-Y283 PolarHBondContact O-N 3.23Å |
| 280 | D | 78.7 | Confident | 70.8 | Confident | 85 Ų | 85 | 126.5 Ų | 126.5 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.8 | -34.7 | 176.7 | -93.6 | -16.4 | 0 | 0 | 0 | 112.1 | K276 A277 E284 | K276-D280 HydrophobicContact CB-CB 3.91Å; K276-D280 HydrophobicContact CD-CB 4.39Å; K276-D280 HydrophobicContact CG-CB 4.49Å; A277-D280 PolarHBondContact O-N 3.38Å; D280-E284 WeakPolarHBondContact O-CB 3.38Å; D280-E284 PolarHBondContact O-N 3.49Å |
| 281 | Y | 77.2 | Confident | 72 | Confident | 143 Ų | 143 | 127.1 Ų | 127.1 | 56% | 0.561 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.3 | -43.2 | 174 | 174.4 | -91.9 | 0 | 0 | 0 | 111.7 | A277 T278 D279 K285 | A277-Y281 PolarHBondContact O-N 3.07Å; T278-Y281 WeakPolarHBondContact O-CB 3.25Å; T278-Y281 PolarHBondContact O-N 3.2Å; D279-Y281 VanDerWaalsContact C-N 3.26Å; D279-Y281 PolarHBondContact O-N 3.13Å; Y281-K285 WeakPolarHBondContact O-CB 3.42Å; Y281-K285 PolarHBondContact O-N 3Å |
| 282 | H | 82.1 | Confident | 72.3 | Confident | 111 Ų | 111 | 128.2 Ų | 128.2 | 51% | 0.514 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.4 | -36.9 | 179.8 | -69.8 | 68.3 | 0 | 0 | 0 | 111.2 | T278 D279 K285 F286 | T278-H282 PolarHBondContact O-N 3.42Å; T278-H282 PolarHBondContact O-ND1 3.07Å; D279-H282 PolarHBondContact O-N 3.37Å; H282-K285 PolarHBondContact O-N 3.34Å; H282-F286 WeakPolarHBondContact O-CB 3.47Å; H282-F286 PolarHBondContact O-N 3.08Å |
| 283 | Y | 82 | Confident | 72.2 | Confident | 141 Ų | 141 | 136.9 Ų | 136.9 | 55% | 0.553 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.3 | -45 | 174.4 | -173.2 | -108.3 | 0 | 0 | 0 | 112.4 | D279 K285 F286 K287 | D279-Y283 WeakPolarHBondContact O-CB 3.49Å; D279-Y283 PolarHBondContact O-N 3.23Å; Y283-K285 VanDerWaalsContact C-N 3.34Å; Y283-K285 PolarHBondContact O-N 3.48Å; Y283-F286 PolarHBondContact O-N 3.3Å; Y283-K287 WeakPolarHBondContact O-CB 3.39Å; Y283-K287 PolarHBondContact O-N 3.19Å |
| 284 | E | 82.3 | Confident | 73 | Confident | 106 Ų | 106 | 136.6 Ų | 136.6 | 50% | 0.495 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.1 | -38.3 | 174 | -80.6 | -166.6 | 165.4 | 0 | 0 | 112.3 | K276 D280 K287 K288 | K276-E284 IonicContact NZ-OE1 2.74Å; K276-E284 PolarHBondContact NZ-OE1 3.33Å; K276-E284 IonicContact NZ-OE2 2.68Å; K276-E284 PolarHBondContact NZ-OE2 3.34Å; D280-E284 WeakPolarHBondContact O-CB 3.38Å; D280-E284 PolarHBondContact O-N 3.49Å; E284-K287 PolarHBondContact O-N 3.37Å; E284-K288 VanDerWaalsContact O-CB 3.25Å; E284-K288 WeakPolarHBondContact O-CB 3.31Å; E284-K288 PolarHBondContact O-N 3.22Å |
| 285 | K | 80.3 | Confident | 74 | Confident | 132 Ų | 132 | 135.3 Ų | 135.3 | 57% | 0.574 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.5 | -46.4 | 175.9 | -171.1 | -175.3 | -177.9 | -175.9 | 0 | 111.5 | Y281 H282 Y283 K288 M289 | Y281-K285 WeakPolarHBondContact O-CB 3.42Å; Y281-K285 PolarHBondContact O-N 3Å; H282-K285 PolarHBondContact O-N 3.34Å; Y283-K285 VanDerWaalsContact C-N 3.34Å; Y283-K285 PolarHBondContact O-N 3.48Å; K285-K288 PolarHBondContact O-N 3.49Å; K285-M289 PolarHBondContact O-N 3.35Å |
| 286 | F | 82.5 | Confident | 74.8 | Confident | 126 Ų | 126 | 135.2 Ų | 135.2 | 55% | 0.553 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.6 | -47.1 | 176.1 | 176.1 | -99.8 | 0 | 0 | 0 | 111.7 | H282 Y283 K288 M289 N290 | H282-F286 WeakPolarHBondContact O-CB 3.47Å; H282-F286 PolarHBondContact O-N 3.08Å; Y283-F286 PolarHBondContact O-N 3.3Å; F286-K288 VanDerWaalsContact C-N 3.3Å; F286-K288 PolarHBondContact O-N 3.32Å; F286-M289 PolarHBondContact O-N 3.38Å; F286-N290 VanDerWaalsContact CE1-ND2 3.31Å; F286-N290 WeakPolarHBondContact CE1-ND2 3.37Å; F286-N290 WeakPolarHBondContact CE2-ND2 3.2Å; F286-N290 WeakPolarHBondContact CZ-ND2 3.35Å; F286-N290 PolarHBondContact O-N 3.37Å; F286-N290 VanDerWaalsContact O-N 3.09Å; F286-N290 PolarHBondContact O-ND2 3.05Å; F286-N290 VanDerWaalsContact O-ND2 3.13Å |
| 287 | K | 86.9 | Confident | 75.5 | Confident | 134 Ų | 134 | 138.1 Ų | 138.1 | 58% | 0.583 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.2 | -36.9 | 178.3 | -163.3 | 177.3 | -173.8 | 172.2 | 0 | 112.3 | Y283 E284 R291 | Y283-K287 WeakPolarHBondContact O-CB 3.39Å; Y283-K287 PolarHBondContact O-N 3.19Å; E284-K287 PolarHBondContact O-N 3.37Å; K287-R291 WeakPolarHBondContact O-CB 3.08Å; K287-R291 PolarHBondContact O-N 3.45Å |
| 288 | K | 83.8 | Confident | 75.9 | Confident | 149 Ų | 149 | 142.7 Ų | 142.7 | 65% | 0.648 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.2 | -34.2 | 177.6 | -167.4 | 175.4 | -176.7 | 178.1 | 0 | 112.3 | E284 K285 F286 | E284-K288 VanDerWaalsContact O-CB 3.25Å; E284-K288 WeakPolarHBondContact O-CB 3.31Å; E284-K288 PolarHBondContact O-N 3.22Å; K285-K288 PolarHBondContact O-N 3.49Å; F286-K288 VanDerWaalsContact C-N 3.3Å; F286-K288 PolarHBondContact O-N 3.32Å |
| 289 | M | 77.5 | Confident | 76.6 | Confident | 124 Ų | 124 | 144.3 Ų | 144.3 | 61% | 0.611 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.7 | -43.2 | 176.4 | -165.5 | 163.9 | 74.6 | 0 | 0 | 111.5 | K285 F286 R291 R292 | K285-M289 PolarHBondContact O-N 3.35Å; F286-M289 PolarHBondContact O-N 3.38Å; M289-R291 VanDerWaalsContact C-N 3.28Å; M289-R291 PolarHBondContact O-N 3.06Å; M289-R292 PolarHBondContact O-N 3.27Å |
| 290 | N | 76.3 | Confident | 76.7 | Confident | 84 Ų | 84 | 145.9 Ų | 145.9 | 45% | 0.449 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -77.8 | -7.3 | 178.8 | -70 | -50.2 | 0 | 0 | 0 | 114.7 | F286 R292 | F286-N290 VanDerWaalsContact CE1-ND2 3.31Å; F286-N290 WeakPolarHBondContact CE1-ND2 3.37Å; F286-N290 WeakPolarHBondContact CE2-ND2 3.2Å; F286-N290 WeakPolarHBondContact CZ-ND2 3.35Å; F286-N290 PolarHBondContact O-N 3.37Å; F286-N290 VanDerWaalsContact O-N 3.09Å; F286-N290 PolarHBondContact O-ND2 3.05Å; F286-N290 VanDerWaalsContact O-ND2 3.13Å; N290-R292 VanDerWaalsContact C-N 3.35Å |
| 291 | R | 76.2 | Confident | 76.6 | Confident | 220 Ų | 220 | 150.5 Ų | 150.5 | 83% | 0.83 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -6.1 | 175.3 | -173.5 | 172 | 146.4 | -177.8 | -5.7 | 112.8 | K287 M289 | K287-R291 WeakPolarHBondContact O-CB 3.08Å; K287-R291 PolarHBondContact O-N 3.45Å; M289-R291 VanDerWaalsContact C-N 3.28Å; M289-R291 PolarHBondContact O-N 3.06Å |
| 292 | R | 59.5 | Low | 76.5 | Confident | 215 Ų | 215 | 151.2 Ų | 151.2 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 6.6 | 176.3 | -72.4 | -163.3 | -179.8 | -165.5 | 0.4 | 113.7 | M289 N290 | M289-R292 PolarHBondContact O-N 3.27Å; N290-R292 VanDerWaalsContact C-N 3.35Å |
| 293 | Y | 48.7 | Very low | 76 | Confident | 272 Ų | 272 | 154.8 Ų | 154.8 | 100% | 1.067 | 65% | 0.652 | S | S | * | * | trans | -118.3 | 0 | 166.8 | -74.1 | -79 | 0 | 0 | 0 | 109.4 |
Retrieved 293 of 293 residues in 569.2 ms
(Link to these results)