| 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 | 30.7 | Very low | 46.8 | Very low | 235 Ų | 235 | 132.5 Ų | 132.5 | 100% | 1.158 | 59% | 0.594 | S | S | * | * | 0 | -28.9 | 0 | -120.3 | 162.3 | 172 | 0 | 0 | 114 | R3 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.01Å | |||
| 2 | Y | 30.9 | Very low | 48.8 | Very low | 208 Ų | 208 | 134.8 Ų | 134.8 | 82% | 0.816 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -17.2 | -178.9 | -123.6 | -97.8 | 0 | 0 | 0 | 117.6 | ||
| 3 | R | 32.9 | Very low | 50.2 | Low | 225 Ų | 225 | 127.8 Ų | 127.8 | 85% | 0.849 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -20.1 | -175.9 | -109.3 | 179.4 | 179 | 179.4 | -0.7 | 114.9 | M1 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.01Å |
| 4 | K | 35.3 | Very low | 52 | Low | 203 Ų | 203 | 119.6 Ų | 119.6 | 88% | 0.883 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -92.5 | -9.4 | -175 | -79.7 | -173.1 | 175.3 | -177.6 | 0 | 114.6 | ||
| 5 | S | 40.5 | Very low | 54.1 | Low | 74 Ų | 74 | 116.5 Ų | 116.5 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -84.8 | -6.7 | 176.2 | 60.9 | 0 | 0 | 0 | 0 | 114.6 | Q7 W8 | S5-Q7 VanDerWaalsContact C-N 3.32Å; S5-Q7 PolarHBondContact O-N 3.26Å; S5-W8 PolarHBondContact O-N 3.27Å |
| 6 | K | 50.6 | Low | 56 | Low | 91 Ų | 91 | 121.4 Ų | 121.4 | 40% | 0.396 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.4 | -168.8 | -77.9 | -167.3 | 170.8 | -162.9 | 0 | 115.9 | A9 | K6-A9 WeakPolarHBondContact O-CB 3.4Š|
| 7 | Q | 47.4 | Very low | 57.6 | Low | 142 Ų | 142 | 118.8 Ų | 118.8 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -35.9 | -176.8 | -71.8 | 179.5 | -12.1 | 0 | 0 | 112.5 | S5 | S5-Q7 VanDerWaalsContact C-N 3.32Å; S5-Q7 PolarHBondContact O-N 3.26Å |
| 8 | W | 52.8 | Low | 59.3 | Low | 197 Ų | 197 | 112.8 Ų | 112.8 | 75% | 0.746 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -83.3 | -14.3 | 177.4 | -64.8 | 99.6 | 0 | 0 | 0 | 113.2 | S5 L10 F11 | S5-W8 PolarHBondContact O-N 3.27Å; W8-L10 PolarHBondContact O-N 3.41Å; W8-F11 PolarHBondContact O-N 3.47Å |
| 9 | A | 58.9 | Low | 60.7 | Low | 30 Ų | 30 | 112.1 Ų | 112.1 | 25% | 0.248 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -59.1 | -29.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K6 F11 R12 Y315 | K6-A9 WeakPolarHBondContact O-CB 3.4Å; A9-F11 PolarHBondContact O-N 3.36Å; A9-F11 VanDerWaalsContact O-N 3.16Å; A9-R12 WeakPolarHBondContact O-CB 3.47Å; A9-R12 PolarHBondContact O-N 3.13Å; A9-R12 VanDerWaalsContact O-N 3.15Å; A9-Y315 PolarHBondContact O-OH 2.83Å |
| 10 | L | 65.3 | Low | 62.1 | Low | 25 Ų | 25 | 110.3 Ų | 110.3 | 13% | 0.131 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -54.6 | -34.1 | 175.5 | -158.4 | 84.8 | 0 | 0 | 0 | 112.5 | W8 I131 M135 A311 Y315 | W8-L10 PolarHBondContact O-N 3.41Å; L10-I131 HydrophobicContact CD1-CG2 4.26Å; L10-M135 HydrophobicContact CD1-SD 4.41Å; L10-M135 HydrophobicContact CD2-CE 4.32Å; L10-M135 HydrophobicContact CD2-CG 3.25Å; L10-M135 HydrophobicContact CD2-SD 3.79Å; L10-M135 HydrophobicContact CG-CE 4.26Å; L10-M135 HydrophobicContact CG-CG 3.88Å; L10-M135 HydrophobicContact CG-SD 3.69Å; L10-A311 HydrophobicContact CD1-CB 3.55Å; L10-Y315 PolarHBondContact O-OH 2.94Å |
| 11 | F | 69.6 | Low | 63.5 | Low | 28 Ų | 28 | 105.9 Ų | 105.9 | 12% | 0.123 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -101.7 | 4.2 | -175.4 | -61.9 | -82.8 | 0 | 0 | 0 | 113.6 | W8 A9 N13 T14 Y19 L22 F88 M135 L139 | W8-F11 PolarHBondContact O-N 3.47Å; A9-F11 PolarHBondContact O-N 3.36Å; A9-F11 VanDerWaalsContact O-N 3.16Å; F11-N13 PolarHBondContact O-N 3.25Å; F11-T14 VanDerWaalsContact O-CB 3.26Å; F11-T14 WeakPolarHBondContact O-CB 3.48Å; F11-T14 PolarHBondContact O-N 3.11Å; F11-T14 VanDerWaalsContact O-N 3.1Å; F11-T14 PolarHBondContact O-OG1 2.97Å; F11-Y19 HydrophobicContact CB-CE1 4.2Å; F11-Y19 PolarHBondContact O-OH 3.12Å; F11-L22 HydrophobicContact CD1-CD2 3.81Å; F11-L22 HydrophobicContact CE1-CD2 3.6Å; F11-L22 HydrophobicContact CZ-CD2 4.4Å; F11-F88 HydrophobicContact CD1-CE1 4.38Å; F11-F88 AromaticContact CD1-CZ 3.67Å; F11-F88 HydrophobicContact CD1-CZ 3.67Å; F11-F88 AromaticContact CE1-CE1 3.93Å; F11-F88 HydrophobicContact CE1-CE1 3.93Å; F11-F88 AromaticContact CE1-CZ 3.68Å; F11-F88 HydrophobicContact CE1-CZ 3.68Å; F11-M135 HydrophobicContact CD1-CE 3.73Å; F11-M135 HydrophobicContact CE1-CE 3.66Å; F11-M135 HydrophobicContact CG-CE 4.48Å; F11-M135 HydrophobicContact CZ-CE 4.37Å; F11-L139 HydrophobicContact CZ-CD2 4.39Å |
| 12 | R | 70.3 | Confident | 66.3 | Low | 159 Ų | 159 | 95.6 Ų | 95.6 | 60% | 0.6 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -33.1 | -169 | -175.8 | 178.5 | 178.5 | -177.3 | -0.7 | 114.2 | A9 T14 E319 | A9-R12 WeakPolarHBondContact O-CB 3.47Å; A9-R12 PolarHBondContact O-N 3.13Å; A9-R12 VanDerWaalsContact O-N 3.15Å; R12-T14 VanDerWaalsContact C-N 3.35Å; R12-T14 PolarHBondContact O-N 3.31Å; R12-E319 IonicContact NH1-OE1 2.82Å; R12-E319 PolarHBondContact NH1-OE1 3.38Å |
| 13 | N | 67.2 | Low | 69.2 | Low | 45 Ų | 45 | 92.3 Ų | 92.3 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 25.8 | -175.7 | -63 | -30.7 | 0 | 0 | 0 | 113.1 | F11 R95 L99 | F11-N13 PolarHBondContact O-N 3.25Å; N13-R95 WeakPolarHBondContact O-CD 3.41Å; N13-R95 PolarHBondContact O-NH1 3.17Å; N13-L99 HydrophobicContact CB-CD1 4.41Å; N13-L99 WeakPolarHBondContact ND2-CD1 3.35Å |
| 14 | T | 76.1 | Confident | 72.1 | Confident | 13 Ų | 13 | 84.9 Ų | 84.9 | 8% | 0.08 | 41% | 0.408 | C | S | . | . | trans | -89.9 | 130.1 | -176.6 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | F11 R12 E18 Y19 F88 Q92 | F11-T14 VanDerWaalsContact O-CB 3.26Å; F11-T14 WeakPolarHBondContact O-CB 3.48Å; F11-T14 PolarHBondContact O-N 3.11Å; F11-T14 VanDerWaalsContact O-N 3.1Å; F11-T14 PolarHBondContact O-OG1 2.97Å; R12-T14 VanDerWaalsContact C-N 3.35Å; R12-T14 PolarHBondContact O-N 3.31Å; T14-E18 HydrophobicContact CG2-CB 3.41Å; T14-E18 VanDerWaalsContact CG2-CB 3.41Å; T14-Y19 VanDerWaalsContact CB-CE2 3.49Å; T14-Y19 HydrophobicContact CG2-CD1 3.96Å; T14-Y19 HydrophobicContact CG2-CD2 3.66Å; T14-Y19 HydrophobicContact CG2-CE1 4.18Å; T14-Y19 HydrophobicContact CG2-CE2 3.92Å; T14-Y19 HydrophobicContact CG2-CG 3.7Å; T14-Y19 WeakPolarHBondContact O-CD2 3.36Å; T14-Y19 WeakPolarHBondContact O-CE2 3.14Å; T14-F88 HydrophobicContact CG2-CD2 4.42Å; T14-F88 HydrophobicContact CG2-CE2 3.67Å; T14-Q92 PolarHBondContact OG1-NE2 2.89Å | ||
| 15 | N | 82.6 | Confident | 74.9 | Confident | 72 Ų | 72 | 75.2 Ų | 75.2 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | trans | -70.3 | 156.4 | 174.9 | -73.8 | -4.6 | 0 | 0 | 0 | 111.2 | S17 E18 Y19 R95 | N15-S17 VanDerWaalsContact C-N 3.25Å; N15-S17 PolarHBondContact O-N 2.95Å; N15-E18 HydrophobicContact CB-CB 4.41Å; N15-E18 HydrophobicContact CB-CG 4.14Å; N15-E18 PolarHBondContact N-OE2 3.28Å; N15-E18 WeakPolarHBondContact O-CA 3.26Å; N15-E18 WeakPolarHBondContact O-CB 3.4Å; N15-E18 PolarHBondContact O-N 2.86Å; N15-Y19 PolarHBondContact O-N 2.78Å; N15-R95 PolarHBondContact ND2-NH2 2.77Å; N15-R95 PolarHBondContact OD1-NH1 2.81Å; N15-R95 PolarHBondContact OD1-NH2 3.09Å | ||
| 16 | K | 84.5 | Confident | 77.4 | Confident | 196 Ų | 196 | 73.4 Ų | 73.4 | 85% | 0.852 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -53.4 | -40.4 | 177.7 | -69.5 | -175.1 | -179.9 | 179.9 | 0 | 113.2 | E18 Y19 C20 | K16-E18 VanDerWaalsContact C-N 3.31Å; K16-E18 PolarHBondContact O-N 3.43Å; K16-Y19 PolarHBondContact O-N 3.41Å; K16-C20 PolarHBondContact O-N 3.29Å |
| 17 | S | 84.6 | Confident | 79.5 | Confident | 77 Ų | 77 | 71.6 Ų | 71.6 | 54% | 0.538 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65 | -33.4 | 176.1 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | N15 C20 A21 | N15-S17 VanDerWaalsContact C-N 3.25Å; N15-S17 PolarHBondContact O-N 2.95Å; S17-C20 PolarHBondContact O-N 2.87Å; S17-A21 PolarHBondContact O-N 3.25Å |
| 18 | E | 86.7 | Confident | 81.8 | Confident | 11 Ų | 11 | 67 Ų | 67 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -79.3 | -36.2 | -179.4 | -67.9 | 172.3 | 164.5 | 0 | 0 | 111 | T14 N15 K16 C20 A21 L22 F88 Q92 | T14-E18 HydrophobicContact CG2-CB 3.41Å; T14-E18 VanDerWaalsContact CG2-CB 3.41Å; N15-E18 HydrophobicContact CB-CB 4.41Å; N15-E18 HydrophobicContact CB-CG 4.14Å; N15-E18 PolarHBondContact N-OE2 3.28Å; N15-E18 WeakPolarHBondContact O-CA 3.26Å; N15-E18 WeakPolarHBondContact O-CB 3.4Å; N15-E18 PolarHBondContact O-N 2.86Å; K16-E18 VanDerWaalsContact C-N 3.31Å; K16-E18 PolarHBondContact O-N 3.43Å; E18-C20 VanDerWaalsContact C-N 3.3Å; E18-A21 PolarHBondContact O-N 2.9Å; E18-L22 WeakPolarHBondContact O-CB 3.19Å; E18-L22 PolarHBondContact O-N 2.97Å; E18-F88 HydrophobicContact CB-CD2 4.03Å; E18-F88 HydrophobicContact CB-CE2 4.4Å; E18-Q92 PolarHBondContact OE2-NE2 3.48Å |
| 19 | Y | 86.5 | Confident | 83.7 | Confident | 98 Ų | 98 | 57.6 Ų | 57.6 | 38% | 0.384 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 167.5 | -84.2 | -63.1 | 0 | 0 | 0 | 111.4 | F11 T14 N15 K16 L22 F23 | F11-Y19 HydrophobicContact CB-CE1 4.2Å; F11-Y19 PolarHBondContact O-OH 3.12Å; T14-Y19 VanDerWaalsContact CB-CE2 3.49Å; T14-Y19 HydrophobicContact CG2-CD1 3.96Å; T14-Y19 HydrophobicContact CG2-CD2 3.66Å; T14-Y19 HydrophobicContact CG2-CE1 4.18Å; T14-Y19 HydrophobicContact CG2-CE2 3.92Å; T14-Y19 HydrophobicContact CG2-CG 3.7Å; T14-Y19 WeakPolarHBondContact O-CD2 3.36Å; T14-Y19 WeakPolarHBondContact O-CE2 3.14Å; N15-Y19 PolarHBondContact O-N 2.78Å; K16-Y19 PolarHBondContact O-N 3.41Å; Y19-L22 PolarHBondContact O-N 2.94Å; Y19-F23 VanDerWaalsContact O-CB 3.29Å; Y19-F23 WeakPolarHBondContact O-CB 3.4Å; Y19-F23 PolarHBondContact O-N 2.95Å |
| 20 | C | 89.5 | Confident | 85.4 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 51% | 0.514 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | K16 S17 E18 L22 F23 M24 | K16-C20 PolarHBondContact O-N 3.29Å; S17-C20 PolarHBondContact O-N 2.87Å; E18-C20 VanDerWaalsContact C-N 3.3Å; C20-L22 PolarHBondContact O-N 3.26Å; C20-F23 PolarHBondContact O-N 3.06Å; C20-M24 WeakPolarHBondContact O-CB 3.46Å; C20-M24 VanDerWaalsContact O-CG 3.24Å; C20-M24 WeakPolarHBondContact O-CG 3.38Å; C20-M24 PolarHBondContact O-N 2.82Å |
| 21 | A | 90.3 | Very high | 86.7 | Confident | 19 Ų | 19 | 61 Ų | 61 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S17 E18 M24 A25 L84 | S17-A21 PolarHBondContact O-N 3.25Å; E18-A21 PolarHBondContact O-N 2.9Å; A21-M24 PolarHBondContact O-N 2.83Å; A21-A25 WeakPolarHBondContact O-CB 3.25Å; A21-A25 PolarHBondContact O-N 3.22Å; A21-L84 HydrophobicContact CB-CD2 4.17Å |
| 22 | L | 90.6 | Very high | 87.8 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 175.6 | 176.1 | 64.5 | 0 | 0 | 0 | 111.4 | F11 E18 Y19 C20 M24 A25 V26 I85 F88 L139 | F11-L22 HydrophobicContact CD1-CD2 3.81Å; F11-L22 HydrophobicContact CE1-CD2 3.6Å; F11-L22 HydrophobicContact CZ-CD2 4.4Å; E18-L22 WeakPolarHBondContact O-CB 3.19Å; E18-L22 PolarHBondContact O-N 2.97Å; Y19-L22 PolarHBondContact O-N 2.94Å; C20-L22 PolarHBondContact O-N 3.26Å; L22-M24 PolarHBondContact O-N 2.99Å; L22-A25 PolarHBondContact O-N 3.05Å; L22-V26 HydrophobicContact CD1-CG2 4.37Å; L22-V26 WeakPolarHBondContact O-CG2 3.28Å; L22-V26 PolarHBondContact O-N 2.91Å; L22-I85 HydrophobicContact CD1-CD1 3.78Å; L22-F88 HydrophobicContact CB-CD2 4.17Å; L22-F88 HydrophobicContact CB-CE2 4.3Å; L22-F88 HydrophobicContact CB-CG 4.36Å; L22-F88 HydrophobicContact CD1-CD1 4.14Å; L22-F88 HydrophobicContact CD1-CE1 4.07Å; L22-F88 HydrophobicContact CD2-CE1 4.39Å; L22-F88 HydrophobicContact CD2-CE2 4.34Å; L22-F88 HydrophobicContact CD2-CZ 4.05Å; L22-L139 HydrophobicContact CD1-CD2 4.03Å |
| 23 | F | 91.6 | Very high | 88.8 | Confident | 139 Ų | 139 | 52.8 Ų | 52.8 | 61% | 0.61 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.4 | -43.6 | 179.7 | -174.5 | -109.6 | 0 | 0 | 0 | 111.5 | Y19 C20 V26 I27 | Y19-F23 VanDerWaalsContact O-CB 3.29Å; Y19-F23 WeakPolarHBondContact O-CB 3.4Å; Y19-F23 PolarHBondContact O-N 2.95Å; C20-F23 PolarHBondContact O-N 3.06Å; F23-V26 PolarHBondContact O-N 2.76Å; F23-I27 HydrophobicContact CD1-CD1 3.56Å; F23-I27 HydrophobicContact CE1-CD1 3.23Å; F23-I27 HydrophobicContact CE1-CG1 4.3Å; F23-I27 HydrophobicContact CE2-CD1 4.41Å; F23-I27 HydrophobicContact CG-CD1 4.3Å; F23-I27 HydrophobicContact CZ-CD1 3.7Å; F23-I27 HydrophobicContact CZ-CG1 4.4Å; F23-I27 WeakPolarHBondContact O-CG1 2.91Å; F23-I27 PolarHBondContact O-N 2.8Å |
| 24 | M | 93.9 | Very high | 90 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 34% | 0.34 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 174 | -71.9 | -60.5 | -63 | 0 | 0 | 112 | C20 A21 L22 V26 I27 F28 L84 | C20-M24 WeakPolarHBondContact O-CB 3.46Å; C20-M24 VanDerWaalsContact O-CG 3.24Å; C20-M24 WeakPolarHBondContact O-CG 3.38Å; C20-M24 PolarHBondContact O-N 2.82Å; A21-M24 PolarHBondContact O-N 2.83Å; L22-M24 PolarHBondContact O-N 2.99Å; M24-V26 VanDerWaalsContact C-N 3.34Å; M24-V26 PolarHBondContact O-N 2.86Å; M24-I27 PolarHBondContact O-N 3.06Å; M24-F28 HydrophobicContact CE-CE1 3.64Å; M24-F28 HydrophobicContact CE-CE2 4.2Å; M24-F28 HydrophobicContact CE-CZ 3.4Å; M24-F28 VanDerWaalsContact CE-CZ 3.4Å; M24-F28 WeakPolarHBondContact O-CB 3.37Å; M24-F28 WeakPolarHBondContact O-CD2 3.49Å; M24-F28 WeakPolarHBondContact O-CG 3.39Å; M24-F28 PolarHBondContact O-N 2.9Å; M24-L84 HydrophobicContact CB-CD1 3.8Å |
| 25 | A | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A21 L22 F28 A29 L84 I85 T140 | A21-A25 WeakPolarHBondContact O-CB 3.25Å; A21-A25 PolarHBondContact O-N 3.22Å; L22-A25 PolarHBondContact O-N 3.05Å; A25-F28 PolarHBondContact O-N 2.77Å; A25-A29 WeakPolarHBondContact O-CB 3.08Å; A25-A29 PolarHBondContact O-N 3.23Å; A25-L84 HydrophobicContact CB-CB 3.91Å; A25-I85 HydrophobicContact CB-CB 4.23Å; A25-T140 HydrophobicContact CB-CG2 4.28Å |
| 26 | V | 93.1 | Very high | 91 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 22% | 0.218 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 175.6 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L22 F23 M24 A29 T30 M143 | L22-V26 HydrophobicContact CD1-CG2 4.37Å; L22-V26 WeakPolarHBondContact O-CG2 3.28Å; L22-V26 PolarHBondContact O-N 2.91Å; F23-V26 PolarHBondContact O-N 2.76Å; M24-V26 VanDerWaalsContact C-N 3.34Å; M24-V26 PolarHBondContact O-N 2.86Å; V26-A29 WeakPolarHBondContact O-CB 3.44Å; V26-A29 PolarHBondContact O-N 3.14Å; V26-T30 HydrophobicContact CG1-CG2 4.47Å; V26-T30 WeakPolarHBondContact O-CG2 3.47Å; V26-T30 PolarHBondContact O-N 3.33Å; V26-T30 PolarHBondContact O-OG1 3.17Å; V26-M143 HydrophobicContact CG1-CG 4.19Å; V26-M143 HydrophobicContact CG1-SD 4.48Å |
| 27 | I | 95 | Very high | 91.3 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 174 | -72.2 | 168.3 | 0 | 0 | 0 | 111 | F23 M24 A29 T30 I31 | F23-I27 HydrophobicContact CD1-CD1 3.56Å; F23-I27 HydrophobicContact CE1-CD1 3.23Å; F23-I27 HydrophobicContact CE1-CG1 4.3Å; F23-I27 HydrophobicContact CE2-CD1 4.41Å; F23-I27 HydrophobicContact CG-CD1 4.3Å; F23-I27 HydrophobicContact CZ-CD1 3.7Å; F23-I27 HydrophobicContact CZ-CG1 4.4Å; F23-I27 WeakPolarHBondContact O-CG1 2.91Å; F23-I27 PolarHBondContact O-N 2.8Å; M24-I27 PolarHBondContact O-N 3.06Å; I27-A29 VanDerWaalsContact C-N 3.28Å; I27-A29 PolarHBondContact O-N 3.21Å; I27-T30 WeakPolarHBondContact CA-OG1 3.4Å; I27-T30 PolarHBondContact O-N 3.23Å; I27-T30 PolarHBondContact O-OG1 3.08Å; I27-I31 HydrophobicContact CG2-CD1 3.64Å; I27-I31 HydrophobicContact CG2-CG1 4.31Å; I27-I31 VanDerWaalsContact O-CG1 3.29Å; I27-I31 WeakPolarHBondContact O-CG1 3.14Å; I27-I31 PolarHBondContact O-N 2.93Å |
| 28 | F | 95.3 | Very high | 91.6 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 177.8 | -65.8 | -20.2 | 0 | 0 | 0 | 111.9 | M24 A25 G32 L77 Q81 L84 | M24-F28 HydrophobicContact CE-CE1 3.64Å; M24-F28 HydrophobicContact CE-CE2 4.2Å; M24-F28 HydrophobicContact CE-CZ 3.4Å; M24-F28 VanDerWaalsContact CE-CZ 3.4Å; M24-F28 WeakPolarHBondContact O-CB 3.37Å; M24-F28 WeakPolarHBondContact O-CD2 3.49Å; M24-F28 WeakPolarHBondContact O-CG 3.39Å; M24-F28 PolarHBondContact O-N 2.9Å; A25-F28 PolarHBondContact O-N 2.77Å; F28-G32 WeakPolarHBondContact O-CA 3.48Å; F28-G32 PolarHBondContact O-N 3.32Å; F28-L77 HydrophobicContact CB-CD2 4.11Å; F28-L77 HydrophobicContact CD1-CD2 3.37Å; F28-L77 HydrophobicContact CE1-CD2 3.95Å; F28-L77 HydrophobicContact CG-CD2 3.91Å; F28-Q81 HydrophobicContact CB-CB 4.03Å; F28-L84 HydrophobicContact CD2-CD1 4.09Å; F28-L84 HydrophobicContact CE2-CD1 3.8Å |
| 29 | A | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A25 V26 I27 G32 G33 Q81 T140 M143 K144 | A25-A29 WeakPolarHBondContact O-CB 3.08Å; A25-A29 PolarHBondContact O-N 3.23Å; V26-A29 WeakPolarHBondContact O-CB 3.44Å; V26-A29 PolarHBondContact O-N 3.14Å; I27-A29 VanDerWaalsContact C-N 3.28Å; I27-A29 PolarHBondContact O-N 3.21Å; A29-G32 PolarHBondContact O-N 2.8Å; A29-G33 PolarHBondContact O-N 3.31Å; A29-Q81 HydrophobicContact CB-CG 4.03Å; A29-T140 HydrophobicContact CB-CG2 4.34Å; A29-T140 WeakPolarHBondContact CB-O 3.42Å; A29-M143 HydrophobicContact CB-CB 4.41Å; A29-K144 HydrophobicContact CB-CB 4.38Å; A29-K144 WeakPolarHBondContact O-CA 3.22Å |
| 30 | T | 93.8 | Very high | 91.8 | Very high | 48 Ų | 48 | 35.6 Ų | 35.6 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.6 | -45.3 | 178.1 | 55 | 0 | 0 | 0 | 0 | 111.2 | V26 I27 G32 G33 A34 M143 S147 | V26-T30 HydrophobicContact CG1-CG2 4.47Å; V26-T30 WeakPolarHBondContact O-CG2 3.47Å; V26-T30 PolarHBondContact O-N 3.33Å; V26-T30 PolarHBondContact O-OG1 3.17Å; I27-T30 WeakPolarHBondContact CA-OG1 3.4Å; I27-T30 PolarHBondContact O-N 3.23Å; I27-T30 PolarHBondContact O-OG1 3.08Å; T30-G32 VanDerWaalsContact C-N 3.34Å; T30-G32 PolarHBondContact O-N 3.39Å; T30-G33 PolarHBondContact O-N 2.78Å; T30-A34 PolarHBondContact O-N 3.42Å; T30-A34 VanDerWaalsContact O-N 3.11Å; T30-M143 HydrophobicContact CG2-CB 4.43Å; T30-S147 PolarHBondContact O-OG 2.92Å |
| 31 | I | 94.5 | Very high | 91.8 | Very high | 77 Ų | 77 | 34.5 Ų | 34.5 | 40% | 0.395 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.8 | -60.3 | 169.6 | 0 | 0 | 0 | 110 | I27 G33 A34 L35 L77 | I27-I31 HydrophobicContact CG2-CD1 3.64Å; I27-I31 HydrophobicContact CG2-CG1 4.31Å; I27-I31 VanDerWaalsContact O-CG1 3.29Å; I27-I31 WeakPolarHBondContact O-CG1 3.14Å; I27-I31 PolarHBondContact O-N 2.93Å; I31-G33 VanDerWaalsContact C-N 3.29Å; I31-G33 PolarHBondContact O-N 3Å; I31-A34 WeakPolarHBondContact O-CB 3.4Å; I31-A34 PolarHBondContact O-N 3.4Å; I31-A34 VanDerWaalsContact O-N 3.08Å; I31-L35 WeakPolarHBondContact O-CG 3.46Å; I31-L35 PolarHBondContact O-N 3.18Å; I31-L35 VanDerWaalsContact O-N 3.13Å; I31-L77 HydrophobicContact CB-CD1 4.02Å; I31-L77 HydrophobicContact CG2-CD1 3.43Å; I31-L77 VanDerWaalsContact CG2-CD1 3.43Å |
| 32 | G | 91.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.8 | -39.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F28 A29 T30 L35 | F28-G32 WeakPolarHBondContact O-CA 3.48Å; F28-G32 PolarHBondContact O-N 3.32Å; A29-G32 PolarHBondContact O-N 2.8Å; T30-G32 VanDerWaalsContact C-N 3.34Å; T30-G32 PolarHBondContact O-N 3.39Å; G32-L35 WeakPolarHBondContact O-CB 3.19Å; G32-L35 PolarHBondContact O-N 3.16Å |
| 33 | G | 91.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -38.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A29 T30 I31 L35 P37 K144 G148 | A29-G33 PolarHBondContact O-N 3.31Å; T30-G33 PolarHBondContact O-N 2.78Å; I31-G33 VanDerWaalsContact C-N 3.29Å; I31-G33 PolarHBondContact O-N 3Å; G33-L35 VanDerWaalsContact C-N 3.31Å; G33-L35 PolarHBondContact O-N 3.02Å; G33-P37 VanDerWaalsContact O-CD 3.25Å; G33-P37 WeakPolarHBondContact O-CD 3.35Å; G33-K144 WeakPolarHBondContact CA-O 3.26Å; G33-G148 WeakPolarHBondContact O-CA 3.16Å |
| 34 | A | 92.7 | Very high | 91.7 | Very high | 21 Ų | 21 | 31 Ų | 31 | 17% | 0.174 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70 | -22.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T30 I31 I36 P37 V38 V151 | T30-A34 PolarHBondContact O-N 3.42Å; T30-A34 VanDerWaalsContact O-N 3.11Å; I31-A34 WeakPolarHBondContact O-CB 3.4Å; I31-A34 PolarHBondContact O-N 3.4Å; I31-A34 VanDerWaalsContact O-N 3.08Å; A34-I36 VanDerWaalsContact C-N 3.26Å; A34-I36 PolarHBondContact O-N 2.91Å; A34-P37 VanDerWaalsContact O-CD 3.3Å; A34-P37 WeakPolarHBondContact O-CD 3.24Å; A34-V38 VanDerWaalsContact O-CG2 3.28Å; A34-V38 WeakPolarHBondContact O-CG2 3.44Å; A34-V38 PolarHBondContact O-N 3.02Å; A34-V38 VanDerWaalsContact O-N 3.08Å; A34-V151 HydrophobicContact CB-CB 4.37Å; A34-V151 HydrophobicContact CB-CG1 4.14Å; A34-V151 HydrophobicContact CB-CG2 3.97Å |
| 35 | L | 91.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 29.7 Ų | 29.7 | 9% | 0.094 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.5 | -33.3 | -179.5 | -68 | -179.6 | 0 | 0 | 0 | 113.1 | I31 G32 G33 V38 H39 V70 A74 L77 F907 | I31-L35 WeakPolarHBondContact O-CG 3.46Å; I31-L35 PolarHBondContact O-N 3.18Å; I31-L35 VanDerWaalsContact O-N 3.13Å; G32-L35 WeakPolarHBondContact O-CB 3.19Å; G32-L35 PolarHBondContact O-N 3.16Å; G33-L35 VanDerWaalsContact C-N 3.31Å; G33-L35 PolarHBondContact O-N 3.02Å; L35-V38 PolarHBondContact O-N 3.35Å; L35-H39 VanDerWaalsContact O-CB 3.3Å; L35-H39 WeakPolarHBondContact O-CB 3.11Å; L35-H39 PolarHBondContact O-N 3.04Å; L35-V70 HydrophobicContact CB-CG1 4.45Å; L35-V70 HydrophobicContact CD2-CG1 4.36Å; L35-A74 HydrophobicContact CD1-CB 3.68Å; L35-L77 HydrophobicContact CD1-CD1 4.15Å; L35-F907 HydrophobicContact CB-CZ 4.49Å |
| 36 | I | 87.8 | Confident | 91.3 | Very high | 35 Ų | 35 | 29.7 Ų | 29.7 | 18% | 0.179 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.2 | -47.6 | -177.9 | -66.7 | 168.1 | 0 | 0 | 0 | 111.6 | A34 V38 H39 S40 L289 F293 F907 | A34-I36 VanDerWaalsContact C-N 3.26Å; A34-I36 PolarHBondContact O-N 2.91Å; I36-V38 VanDerWaalsContact C-N 3.31Å; I36-V38 PolarHBondContact O-N 2.97Å; I36-H39 WeakPolarHBondContact O-CB 3.14Å; I36-H39 PolarHBondContact O-N 2.69Å; I36-S40 PolarHBondContact O-N 2.97Å; I36-S40 VanDerWaalsContact O-N 3.09Å; I36-L289 HydrophobicContact CG2-CD1 3.51Å; I36-F293 HydrophobicContact CB-CE2 4.43Å; I36-F293 HydrophobicContact CB-CZ 4Å; I36-F293 HydrophobicContact CD1-CE1 3.98Å; I36-F293 HydrophobicContact CD1-CZ 3.49Å; I36-F293 VanDerWaalsContact CD1-CZ 3.49Å; I36-F293 HydrophobicContact CG1-CZ 4.33Å; I36-F293 HydrophobicContact CG2-CE2 4.24Å; I36-F293 HydrophobicContact CG2-CZ 3.84Å; I36-F907 HydrophobicContact CG1-CZ 4.35Å |
| 37 | P | 90.8 | Very high | 91 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.8 | -36.1 | 168.8 | -27.9 | 34.7 | 0 | 0 | 0 | 114.4 | G33 A34 S40 L41 G148 V151 I155 | G33-P37 VanDerWaalsContact O-CD 3.25Å; G33-P37 WeakPolarHBondContact O-CD 3.35Å; A34-P37 VanDerWaalsContact O-CD 3.3Å; A34-P37 WeakPolarHBondContact O-CD 3.24Å; P37-S40 VanDerWaalsContact O-CB 3.23Å; P37-S40 WeakPolarHBondContact O-CB 3.48Å; P37-S40 PolarHBondContact O-N 2.88Å; P37-L41 PolarHBondContact O-N 3.25Å; P37-G148 VanDerWaalsContact CG-O 3.26Å; P37-G148 WeakPolarHBondContact CG-O 3.35Å; P37-V151 HydrophobicContact CB-CB 4.46Å; P37-V151 HydrophobicContact CB-CG1 3.91Å; P37-V151 HydrophobicContact CG-CB 4.25Å; P37-V151 HydrophobicContact CG-CG1 4.19Å; P37-I155 HydrophobicContact CB-CD1 3.56Å |
| 38 | V | 90.4 | Very high | 90.6 | Very high | 54 Ų | 54 | 26.7 Ų | 26.7 | 33% | 0.327 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 174.1 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | A34 L35 I36 S40 L41 I42 | A34-V38 VanDerWaalsContact O-CG2 3.28Å; A34-V38 WeakPolarHBondContact O-CG2 3.44Å; A34-V38 PolarHBondContact O-N 3.02Å; A34-V38 VanDerWaalsContact O-N 3.08Å; L35-V38 PolarHBondContact O-N 3.35Å; I36-V38 VanDerWaalsContact C-N 3.31Å; I36-V38 PolarHBondContact O-N 2.97Å; V38-S40 PolarHBondContact O-N 3.36Å; V38-L41 WeakPolarHBondContact O-CB 3.39Å; V38-L41 PolarHBondContact O-N 3.47Å; V38-I42 PolarHBondContact O-N 3.48Å; V38-I42 VanDerWaalsContact O-N 3.11Å |
| 39 | H | 88.9 | Confident | 90.2 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 10% | 0.102 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.3 | -37.3 | 171.8 | 162.4 | -101.6 | 0 | 0 | 0 | 111.8 | L35 I36 I42 L43 F67 F907 | L35-H39 VanDerWaalsContact O-CB 3.3Å; L35-H39 WeakPolarHBondContact O-CB 3.11Å; L35-H39 PolarHBondContact O-N 3.04Å; I36-H39 WeakPolarHBondContact O-CB 3.14Å; I36-H39 PolarHBondContact O-N 2.69Å; H39-I42 PolarHBondContact O-N 2.91Å; H39-L43 WeakPolarHBondContact O-CB 3.24Å; H39-L43 PolarHBondContact O-N 2.92Å; H39-F67 AromaticContact CD2-CD1 3.57Å; H39-F67 AromaticContact CD2-CE1 3.22Å; H39-F67 WeakPolarHBondContact CD2-CE1 3.13Å; H39-F67 AromaticContact NE2-CE1 3.75Å; H39-F907 HydrophobicContact CB-CD1 4.32Å; H39-F907 HydrophobicContact CB-CE1 3.76Å; H39-F907 AromaticContact CD2-CD1 3.87Å; H39-F907 AromaticContact CG-CE1 3.87Å |
| 40 | S | 88.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -36.7 | 173.9 | -161.9 | 0 | 0 | 0 | 0 | 112.8 | I36 P37 V38 L43 R44 T282 N286 | I36-S40 PolarHBondContact O-N 2.97Å; I36-S40 VanDerWaalsContact O-N 3.09Å; P37-S40 VanDerWaalsContact O-CB 3.23Å; P37-S40 WeakPolarHBondContact O-CB 3.48Å; P37-S40 PolarHBondContact O-N 2.88Å; V38-S40 PolarHBondContact O-N 3.36Å; S40-L43 WeakPolarHBondContact O-CB 3.08Å; S40-L43 PolarHBondContact O-N 2.79Å; S40-R44 PolarHBondContact O-N 3Å; S40-T282 PolarHBondContact O-OG1 2.85Å; S40-T282 WeakPolarHBondContact OG-CA 3.43Å; S40-T282 WeakPolarHBondContact OG-CG2 3.48Å; S40-T282 PolarHBondContact OG-O 3.14Å; S40-N286 WeakPolarHBondContact CB-OD1 3.36Å; S40-N286 PolarHBondContact OG-OD1 3.36Å; S40-N286 VanDerWaalsContact OG-OD1 3.1Å |
| 41 | L | 90.4 | Very high | 88.9 | Confident | 52 Ų | 52 | 25 Ų | 25 | 27% | 0.272 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 173.5 | -77.7 | 174.1 | 0 | 0 | 0 | 112.7 | P37 V38 L43 R44 D45 I155 V159 T282 | P37-L41 PolarHBondContact O-N 3.25Å; V38-L41 WeakPolarHBondContact O-CB 3.39Å; V38-L41 PolarHBondContact O-N 3.47Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 PolarHBondContact O-N 2.98Å; L41-R44 WeakPolarHBondContact O-CB 3.36Å; L41-R44 PolarHBondContact O-N 3.18Å; L41-D45 PolarHBondContact O-N 3.48Å; L41-I155 HydrophobicContact CD1-CD1 3.68Å; L41-I155 HydrophobicContact CD1-CG1 4.01Å; L41-I155 HydrophobicContact CD1-CG2 4.1Å; L41-I155 HydrophobicContact CD2-CG2 3.7Å; L41-I155 HydrophobicContact CG-CD1 4.14Å; L41-I155 HydrophobicContact CG-CG2 3.72Å; L41-V159 HydrophobicContact CD2-CG2 3.65Å; L41-T282 HydrophobicContact CD2-CG2 4.4Å |
| 42 | I | 91.4 | Very high | 88.1 | Confident | 19 Ų | 19 | 26.6 Ų | 26.6 | 10% | 0.097 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -38.2 | 175.6 | -57.9 | 166.1 | 0 | 0 | 0 | 109.7 | V38 H39 R44 D45 V46 Y63 W66 F67 V70 | V38-I42 PolarHBondContact O-N 3.48Å; V38-I42 VanDerWaalsContact O-N 3.11Å; H39-I42 PolarHBondContact O-N 2.91Å; I42-R44 VanDerWaalsContact C-N 3.27Å; I42-R44 PolarHBondContact O-N 3.48Å; I42-D45 PolarHBondContact O-N 3.41Å; I42-V46 WeakPolarHBondContact O-CG2 3.42Å; I42-V46 PolarHBondContact O-N 2.81Å; I42-V46 VanDerWaalsContact O-N 3.14Å; I42-Y63 HydrophobicContact CG2-CD1 4.32Å; I42-W66 HydrophobicContact CD1-CB 4.06Å; I42-W66 HydrophobicContact CG2-CB 4.35Å; I42-F67 HydrophobicContact CB-CD1 4.25Å; I42-F67 HydrophobicContact CB-CE1 3.61Å; I42-F67 HydrophobicContact CB-CZ 3.88Å; I42-F67 HydrophobicContact CD1-CD1 4.25Å; I42-F67 HydrophobicContact CD1-CE1 4.38Å; I42-F67 HydrophobicContact CG2-CD1 3.93Å; I42-F67 HydrophobicContact CG2-CD2 4.15Å; I42-F67 HydrophobicContact CG2-CE1 3.51Å; I42-F67 HydrophobicContact CG2-CE2 3.78Å; I42-F67 HydrophobicContact CG2-CG 4.24Å; I42-F67 HydrophobicContact CG2-CZ 3.44Å; I42-F67 VanDerWaalsContact CG2-CZ 3.44Å; I42-V70 HydrophobicContact CD1-CG2 3.74Å |
| 43 | L | 89 | Confident | 86.9 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -35.5 | 174.5 | -178 | 64.5 | 0 | 0 | 0 | 112 | H39 S40 L41 D45 V46 V47 F67 V281 V285 Y914 | H39-L43 WeakPolarHBondContact O-CB 3.24Å; H39-L43 PolarHBondContact O-N 2.92Å; S40-L43 WeakPolarHBondContact O-CB 3.08Å; S40-L43 PolarHBondContact O-N 2.79Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 PolarHBondContact O-N 2.98Å; L43-D45 PolarHBondContact O-N 2.81Å; L43-V46 PolarHBondContact O-N 2.79Å; L43-V47 HydrophobicContact CD1-CG2 4.18Å; L43-V47 HydrophobicContact CG-CG2 4.27Å; L43-V47 WeakPolarHBondContact O-CB 3.34Å; L43-V47 VanDerWaalsContact O-CG2 3.25Å; L43-V47 WeakPolarHBondContact O-CG2 3.29Å; L43-V47 PolarHBondContact O-N 3.04Å; L43-F67 HydrophobicContact CB-CZ 4.48Å; L43-V281 HydrophobicContact CD2-CG1 4.33Å; L43-V285 HydrophobicContact CD2-CG2 4.39Å; L43-Y914 HydrophobicContact CD1-CE2 3.97Å; L43-Y914 VanDerWaalsContact CD1-OH 3.28Å; L43-Y914 WeakPolarHBondContact CD1-OH 3.25Å |
| 44 | R | 89.5 | Confident | 86 | Confident | 73 Ų | 73 | 40.8 Ų | 40.8 | 28% | 0.275 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -49.8 | -57.2 | 172.8 | -165.3 | -169.8 | 66 | 179.7 | -0.8 | 111 | S40 L41 I42 V46 V47 N48 T282 | S40-R44 PolarHBondContact O-N 3Å; L41-R44 WeakPolarHBondContact O-CB 3.36Å; L41-R44 PolarHBondContact O-N 3.18Å; I42-R44 VanDerWaalsContact C-N 3.27Å; I42-R44 PolarHBondContact O-N 3.48Å; R44-V46 VanDerWaalsContact C-N 3.32Å; R44-V46 PolarHBondContact O-N 2.94Å; R44-V47 PolarHBondContact O-N 3.27Å; R44-N48 PolarHBondContact O-N 2.83Å; R44-N48 PolarHBondContact O-ND2 3.11Å; R44-N48 PolarHBondContact O-OD1 3.05Å; R44-T282 WeakPolarHBondContact CB-OG1 3.49Å; R44-T282 WeakPolarHBondContact CG-OG1 3.29Å |
| 45 | D | 89.5 | Confident | 85.3 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.8 | -34.8 | -172.2 | -59.4 | -20.1 | 0 | 0 | 0 | 110.9 | L41 I42 L43 N48 E49 Y63 | L41-D45 PolarHBondContact O-N 3.48Å; I42-D45 PolarHBondContact O-N 3.41Å; L43-D45 PolarHBondContact O-N 2.81Å; D45-N48 PolarHBondContact O-N 2.93Å; D45-E49 PolarHBondContact O-N 2.73Å; D45-Y63 HydrophobicContact CB-CD1 4.28Å; D45-Y63 HydrophobicContact CB-CE1 3.58Å; D45-Y63 HydrophobicContact CB-CE2 4.2Å |
| 46 | V | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 173 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | I42 L43 R44 N48 F50 Y63 F67 Y914 | I42-V46 WeakPolarHBondContact O-CG2 3.42Å; I42-V46 PolarHBondContact O-N 2.81Å; I42-V46 VanDerWaalsContact O-N 3.14Å; L43-V46 PolarHBondContact O-N 2.79Å; R44-V46 VanDerWaalsContact C-N 3.32Å; R44-V46 PolarHBondContact O-N 2.94Å; V46-N48 VanDerWaalsContact C-N 3.33Å; V46-F50 HydrophobicContact CG1-CD2 3.62Å; V46-F50 HydrophobicContact CG1-CE2 3.68Å; V46-F50 WeakPolarHBondContact O-CB 3.43Å; V46-F50 VanDerWaalsContact O-CD2 3.22Å; V46-F50 WeakPolarHBondContact O-CD2 3.27Å; V46-F50 PolarHBondContact O-N 3.21Å; V46-Y63 VanDerWaalsContact CG2-CB 3.43Å; V46-Y63 HydrophobicContact CG2-CD2 3.95Å; V46-Y63 HydrophobicContact CG2-CG 3.77Å; V46-F67 HydrophobicContact CG2-CE2 3.9Å; V46-F67 HydrophobicContact CG2-CZ 4.35Å; V46-Y914 HydrophobicContact CG1-CD2 4.22Å; V46-Y914 HydrophobicContact CG1-CE2 4.38Å; V46-Y914 HydrophobicContact CG1-CG 4.35Å |
| 47 | V | 86.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.8 | 168.4 | 0 | 0 | 0 | 0 | 110.1 | L43 R44 E49 F50 T51 V281 Y695 F932 | L43-V47 HydrophobicContact CD1-CG2 4.18Å; L43-V47 HydrophobicContact CG-CG2 4.27Å; L43-V47 WeakPolarHBondContact O-CB 3.34Å; L43-V47 VanDerWaalsContact O-CG2 3.25Å; L43-V47 WeakPolarHBondContact O-CG2 3.29Å; L43-V47 PolarHBondContact O-N 3.04Å; R44-V47 PolarHBondContact O-N 3.27Å; V47-E49 PolarHBondContact O-N 3.24Å; V47-F50 PolarHBondContact O-N 3.15Å; V47-T51 HydrophobicContact CG1-CG2 4.34Å; V47-T51 WeakPolarHBondContact O-CG2 3.11Å; V47-T51 PolarHBondContact O-N 2.85Å; V47-T51 PolarHBondContact O-OG1 2.84Å; V47-V281 HydrophobicContact CG1-CG2 4.39Å; V47-V281 HydrophobicContact CG2-CG1 4.38Å; V47-Y695 HydrophobicContact CB-CE1 4.41Å; V47-Y695 HydrophobicContact CG1-CD1 4.01Å; V47-Y695 HydrophobicContact CG1-CE1 3.73Å; V47-Y695 HydrophobicContact CG2-CE1 3.72Å; V47-F932 HydrophobicContact CG2-CE1 4.06Å; V47-F932 HydrophobicContact CG2-CZ 4.03Å |
| 48 | N | 86.3 | Confident | 84.5 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -50.8 | -179.7 | -62 | -10.8 | 0 | 0 | 0 | 111.4 | R44 D45 V46 F50 T51 E52 D276 G278 | R44-N48 PolarHBondContact O-N 2.83Å; R44-N48 PolarHBondContact O-ND2 3.11Å; R44-N48 PolarHBondContact O-OD1 3.05Å; D45-N48 PolarHBondContact O-N 2.93Å; V46-N48 VanDerWaalsContact C-N 3.33Å; N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 2.83Å; N48-T51 WeakPolarHBondContact CA-OG1 3.46Å; N48-T51 CarbonylContact O-C 3.59Å; N48-T51 WeakPolarHBondContact O-CA 3.34Å; N48-T51 PolarHBondContact O-N 2.86Å; N48-T51 PolarHBondContact O-OG1 3.1Å; N48-E52 WeakPolarHBondContact O-CG 3.27Å; N48-E52 PolarHBondContact O-N 2.95Å; N48-D276 VanDerWaalsContact CG-CG 3.48Å; N48-D276 VanDerWaalsContact ND2-CG 3.3Å; N48-D276 PolarHBondContact ND2-OD1 3.39Å; N48-D276 PolarHBondContact ND2-OD2 2.92Å; N48-D276 VanDerWaalsContact OD1-CG 3.23Å; N48-D276 PolarHBondContact OD1-OD1 3.01Å; N48-D276 PolarHBondContact OD1-OD2 3.32Å; N48-G278 WeakPolarHBondContact OD1-CA 3.16Å; N48-G278 PolarHBondContact OD1-N 3.21Å |
| 49 | E | 86.1 | Confident | 84.3 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 179.1 | -165.9 | 75.8 | -169.2 | 0 | 0 | 112.5 | D45 V47 T51 R56 S59 I60 | D45-E49 PolarHBondContact O-N 2.73Å; V47-E49 PolarHBondContact O-N 3.24Å; E49-T51 VanDerWaalsContact C-N 3.28Å; E49-T51 PolarHBondContact O-N 3.43Å; E49-R56 WeakPolarHBondContact OE1-CB 3.24Å; E49-S59 WeakPolarHBondContact OE1-CB 3.42Å; E49-S59 PolarHBondContact OE1-OG 2.84Å; E49-I60 HydrophobicContact CB-CG1 4.47Å; E49-I60 HydrophobicContact CG-CD1 4.44Å; E49-I60 HydrophobicContact CG-CG1 4.08Å |
| 50 | F | 83.6 | Confident | 84.3 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.7 | -25.3 | 175.1 | -92.3 | -59.5 | 0 | 0 | 0 | 112.9 | V46 V47 N48 F55 I60 Y914 A918 V921 V928 V931 F932 | V46-F50 HydrophobicContact CG1-CD2 3.62Å; V46-F50 HydrophobicContact CG1-CE2 3.68Å; V46-F50 WeakPolarHBondContact O-CB 3.43Å; V46-F50 VanDerWaalsContact O-CD2 3.22Å; V46-F50 WeakPolarHBondContact O-CD2 3.27Å; V46-F50 PolarHBondContact O-N 3.21Å; V47-F50 PolarHBondContact O-N 3.15Å; N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 2.83Å; F50-F55 HydrophobicContact CD1-CD2 4.12Å; F50-F55 AromaticContact CD1-CE2 3.38Å; F50-F55 HydrophobicContact CD1-CE2 3.38Å; F50-F55 HydrophobicContact CD1-CZ 4.22Å; F50-F55 AromaticContact CE1-CE2 3.5Å; F50-F55 HydrophobicContact CE1-CE2 3.5Å; F50-F55 VanDerWaalsContact CE1-CE2 3.5Å; F50-F55 AromaticContact CE1-CZ 3.87Å; F50-F55 HydrophobicContact CE1-CZ 3.87Å; F50-F55 HydrophobicContact CG-CE2 4.27Å; F50-F55 HydrophobicContact CZ-CE2 4.46Å; F50-I60 HydrophobicContact CD1-CD1 3.99Å; F50-I60 HydrophobicContact CD2-CD1 3.97Å; F50-I60 HydrophobicContact CE1-CD1 3.68Å; F50-I60 HydrophobicContact CE2-CD1 3.67Å; F50-I60 HydrophobicContact CE2-CG2 4.47Å; F50-I60 HydrophobicContact CG-CD1 4.12Å; F50-I60 HydrophobicContact CZ-CD1 3.52Å; F50-Y914 HydrophobicContact CE2-CD1 4.24Å; F50-A918 HydrophobicContact CZ-CB 4.37Å; F50-V921 HydrophobicContact CE1-CG2 4.31Å; F50-V928 HydrophobicContact CB-CG1 3.66Å; F50-V928 HydrophobicContact CD1-CB 4.25Å; F50-V928 HydrophobicContact CD1-CG1 3.6Å; F50-V928 HydrophobicContact CD1-CG2 3.9Å; F50-V928 HydrophobicContact CG-CG1 3.87Å; F50-V931 HydrophobicContact CZ-CG1 4.45Å; F50-F932 HydrophobicContact CB-CE2 3.97Å; F50-F932 HydrophobicContact CB-CZ 4.02Å; F50-F932 HydrophobicContact CD2-CE1 4.47Å; F50-F932 HydrophobicContact CD2-CE2 4.13Å; F50-F932 AromaticContact CD2-CZ 3.61Å; F50-F932 HydrophobicContact CD2-CZ 3.61Å; F50-F932 HydrophobicContact CE2-CZ 4.33Å; F50-F932 HydrophobicContact CG-CE2 4.09Å; F50-F932 HydrophobicContact CG-CZ 4.01Å |
| 51 | T | 76.9 | Confident | 84.4 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 20% | 0.202 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -97 | -11.2 | -179.3 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | V47 N48 E49 F698 | V47-T51 HydrophobicContact CG1-CG2 4.34Å; V47-T51 WeakPolarHBondContact O-CG2 3.11Å; V47-T51 PolarHBondContact O-N 2.85Å; V47-T51 PolarHBondContact O-OG1 2.84Å; N48-T51 WeakPolarHBondContact CA-OG1 3.46Å; N48-T51 CarbonylContact O-C 3.59Å; N48-T51 WeakPolarHBondContact O-CA 3.34Å; N48-T51 PolarHBondContact O-N 2.86Å; N48-T51 PolarHBondContact O-OG1 3.1Å; E49-T51 VanDerWaalsContact C-N 3.28Å; E49-T51 PolarHBondContact O-N 3.43Å; T51-F698 HydrophobicContact CG2-CB 4.32Å; T51-F698 HydrophobicContact CG2-CD2 4.22Å |
| 52 | E | 76.5 | Confident | 84.5 | Confident | 110 Ų | 110 | 60.2 Ų | 60.2 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -65.2 | 149 | 174.3 | -80 | -170.6 | -176.4 | 0 | 0 | 112.1 | N48 I54 | N48-E52 WeakPolarHBondContact O-CG 3.27Å; N48-E52 PolarHBondContact O-N 2.95Å; E52-I54 PolarHBondContact O-N 3.18Å |
| 53 | E | 67.1 | Low | 84.5 | Confident | 195 Ų | 195 | 62 Ų | 62 | 91% | 0.911 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -63 | -30.9 | 178.5 | -68.4 | -172.9 | 167.2 | 0 | 0 | 112.5 | ||
| 54 | I | 72.3 | Confident | 84.5 | Confident | 119 Ų | 119 | 61.9 Ų | 61.9 | 61% | 0.61 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -109.3 | 85.6 | -180 | -54.4 | 174.4 | 0 | 0 | 0 | 109.1 | E52 R56 | E52-I54 PolarHBondContact O-N 3.18Å; I54-R56 PolarHBondContact O-N 2.93Å |
| 55 | F | 79.3 | Confident | 84.7 | Confident | 54 Ų | 54 | 65.8 Ų | 65.8 | 24% | 0.237 | 31% | 0.308 | C | S | . | . | trans | -65 | 117.5 | 178.5 | 177.6 | -102.7 | 0 | 0 | 0 | 112.8 | F50 K57 I60 A918 V921 | F50-F55 HydrophobicContact CD1-CD2 4.12Å; F50-F55 AromaticContact CD1-CE2 3.38Å; F50-F55 HydrophobicContact CD1-CE2 3.38Å; F50-F55 HydrophobicContact CD1-CZ 4.22Å; F50-F55 AromaticContact CE1-CE2 3.5Å; F50-F55 HydrophobicContact CE1-CE2 3.5Å; F50-F55 VanDerWaalsContact CE1-CE2 3.5Å; F50-F55 AromaticContact CE1-CZ 3.87Å; F50-F55 HydrophobicContact CE1-CZ 3.87Å; F50-F55 HydrophobicContact CG-CE2 4.27Å; F50-F55 HydrophobicContact CZ-CE2 4.46Å; F55-K57 HydrophobicContact CE1-CB 4.11Å; F55-I60 HydrophobicContact CD2-CD1 4.32Å; F55-I60 HydrophobicContact CE2-CD1 3.23Å; F55-I60 HydrophobicContact CZ-CD1 3.54Å; F55-A918 HydrophobicContact CZ-CB 3.99Å; F55-V921 HydrophobicContact CD1-CG1 4.09Å; F55-V921 HydrophobicContact CE1-CB 4.23Å; F55-V921 HydrophobicContact CE1-CG1 3.83Å; F55-V921 HydrophobicContact CE2-CG1 4.27Å; F55-V921 HydrophobicContact CG-CG1 4.44Å; F55-V921 HydrophobicContact CZ-CB 4.18Å; F55-V921 HydrophobicContact CZ-CG1 3.92Å | ||
| 56 | R | 81.4 | Confident | 84.8 | Confident | 157 Ų | 157 | 70.3 Ų | 70.3 | 59% | 0.592 | 32% | 0.322 | S | S | * | . | trans | -109 | 109.9 | 172.7 | -57.7 | 177.2 | -178.1 | 173.7 | 2 | 111.1 | E49 I54 E58 S59 | E49-R56 WeakPolarHBondContact OE1-CB 3.24Å; I54-R56 PolarHBondContact O-N 2.93Å; R56-E58 PolarHBondContact O-N 3.38Å; R56-E58 VanDerWaalsContact O-N 3.16Å; R56-S59 PolarHBondContact O-N 3.14Å | ||
| 57 | K | 84.5 | Confident | 84.9 | Confident | 79 Ų | 79 | 70.3 Ų | 70.3 | 34% | 0.343 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.6 | -29.1 | 177 | 68.4 | -179.6 | 176.8 | -172.9 | 0 | 113.8 | F55 I60 Y61 | F55-K57 HydrophobicContact CE1-CB 4.11Å; K57-I60 PolarHBondContact O-N 3.09Å; K57-Y61 HydrophobicContact CB-CE2 4.49Å; K57-Y61 HydrophobicContact CD-CE2 4.38Å; K57-Y61 HydrophobicContact CG-CE2 4.26Å; K57-Y61 PolarHBondContact O-N 3.09Å |
| 58 | E | 86.8 | Confident | 85.2 | Confident | 145 Ų | 145 | 71.9 Ų | 71.9 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.9 | -39.2 | -175.7 | -67 | 179.6 | -179.5 | 0 | 0 | 112 | R56 I60 Y61 V62 | R56-E58 PolarHBondContact O-N 3.38Å; R56-E58 VanDerWaalsContact O-N 3.16Å; E58-I60 VanDerWaalsContact C-N 3.28Å; E58-I60 PolarHBondContact O-N 3.25Å; E58-Y61 PolarHBondContact O-N 3.34Å; E58-V62 PolarHBondContact O-N 2.65Å |
| 59 | S | 87.1 | Confident | 85.6 | Confident | 28 Ų | 28 | 75.2 Ų | 75.2 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59 | -41.3 | 175.5 | -47 | 0 | 0 | 0 | 0 | 111.1 | E49 R56 Y61 V62 Y63 | E49-S59 WeakPolarHBondContact OE1-CB 3.42Å; E49-S59 PolarHBondContact OE1-OG 2.84Å; R56-S59 PolarHBondContact O-N 3.14Å; S59-Y61 VanDerWaalsContact C-N 3.34Å; S59-Y61 PolarHBondContact O-N 3.33Å; S59-V62 WeakPolarHBondContact O-CB 3.47Å; S59-V62 PolarHBondContact O-N 3.24Å; S59-Y63 WeakPolarHBondContact O-CD2 3.4Å; S59-Y63 PolarHBondContact O-N 3.26Å; S59-Y63 VanDerWaalsContact O-N 3.1Å |
| 60 | I | 88.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.2 | -31.3 | -179.1 | -60.1 | 173.4 | 0 | 0 | 0 | 112 | E49 F50 F55 K57 E58 V62 Y63 S64 A918 | E49-I60 HydrophobicContact CB-CG1 4.47Å; E49-I60 HydrophobicContact CG-CD1 4.44Å; E49-I60 HydrophobicContact CG-CG1 4.08Å; F50-I60 HydrophobicContact CD1-CD1 3.99Å; F50-I60 HydrophobicContact CD2-CD1 3.97Å; F50-I60 HydrophobicContact CE1-CD1 3.68Å; F50-I60 HydrophobicContact CE2-CD1 3.67Å; F50-I60 HydrophobicContact CE2-CG2 4.47Å; F50-I60 HydrophobicContact CG-CD1 4.12Å; F50-I60 HydrophobicContact CZ-CD1 3.52Å; F55-I60 HydrophobicContact CD2-CD1 4.32Å; F55-I60 HydrophobicContact CE2-CD1 3.23Å; F55-I60 HydrophobicContact CZ-CD1 3.54Å; K57-I60 PolarHBondContact O-N 3.09Å; E58-I60 VanDerWaalsContact C-N 3.28Å; E58-I60 PolarHBondContact O-N 3.25Å; I60-V62 VanDerWaalsContact C-N 3.27Å; I60-V62 PolarHBondContact O-N 3.3Å; I60-Y63 PolarHBondContact O-N 3.32Å; I60-S64 WeakPolarHBondContact O-CB 3.28Å; I60-S64 PolarHBondContact O-N 2.91Å; I60-S64 PolarHBondContact O-OG 3.1Å; I60-A918 HydrophobicContact CB-CB 3.86Å; I60-A918 HydrophobicContact CD1-CB 3.8Å; I60-A918 HydrophobicContact CG1-CB 4.44Å; I60-A918 HydrophobicContact CG2-CB 3.7Å |
| 61 | Y | 90.6 | Very high | 86.3 | Confident | 75 Ų | 75 | 74.6 Ų | 74.6 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.4 | -32.5 | 171.4 | -63 | -36.7 | 0 | 0 | 0 | 112.1 | K57 E58 S59 K65 | K57-Y61 HydrophobicContact CB-CE2 4.49Å; K57-Y61 HydrophobicContact CD-CE2 4.38Å; K57-Y61 HydrophobicContact CG-CE2 4.26Å; K57-Y61 PolarHBondContact O-N 3.09Å; E58-Y61 PolarHBondContact O-N 3.34Å; S59-Y61 VanDerWaalsContact C-N 3.34Å; S59-Y61 PolarHBondContact O-N 3.33Å; Y61-K65 WeakPolarHBondContact O-CG 3.5Å; Y61-K65 PolarHBondContact O-N 3.13Å; Y61-K65 VanDerWaalsContact O-N 3.16Å |
| 62 | V | 91.8 | Very high | 87.1 | Confident | 74 Ų | 74 | 76.2 Ų | 76.2 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.9 | -48.7 | 172.7 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | E58 S59 I60 S64 K65 W66 | E58-V62 PolarHBondContact O-N 2.65Å; S59-V62 WeakPolarHBondContact O-CB 3.47Å; S59-V62 PolarHBondContact O-N 3.24Å; I60-V62 VanDerWaalsContact C-N 3.27Å; I60-V62 PolarHBondContact O-N 3.3Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 2.69Å; V62-K65 WeakPolarHBondContact O-CB 3.31Å; V62-K65 PolarHBondContact O-N 3.41Å; V62-K65 VanDerWaalsContact O-N 3.16Å; V62-W66 PolarHBondContact O-N 2.81Å; V62-W66 VanDerWaalsContact O-N 3.17Å |
| 63 | Y | 91.2 | Very high | 88 | Confident | 55 Ų | 55 | 73.3 Ų | 73.3 | 22% | 0.216 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.7 | -34.3 | 176.8 | -61.6 | -58.9 | 0 | 0 | 0 | 113.5 | I42 D45 V46 S59 I60 K65 W66 F67 | I42-Y63 HydrophobicContact CG2-CD1 4.32Å; D45-Y63 HydrophobicContact CB-CD1 4.28Å; D45-Y63 HydrophobicContact CB-CE1 3.58Å; D45-Y63 HydrophobicContact CB-CE2 4.2Å; V46-Y63 VanDerWaalsContact CG2-CB 3.43Å; V46-Y63 HydrophobicContact CG2-CD2 3.95Å; V46-Y63 HydrophobicContact CG2-CG 3.77Å; S59-Y63 WeakPolarHBondContact O-CD2 3.4Å; S59-Y63 PolarHBondContact O-N 3.26Å; S59-Y63 VanDerWaalsContact O-N 3.1Å; I60-Y63 PolarHBondContact O-N 3.32Å; Y63-K65 VanDerWaalsContact C-N 3.29Å; Y63-K65 PolarHBondContact O-N 3.3Å; Y63-W66 WeakPolarHBondContact O-CA 3.37Å; Y63-W66 WeakPolarHBondContact O-CB 3.46Å; Y63-W66 PolarHBondContact O-N 2.86Å; Y63-W66 VanDerWaalsContact O-N 3.1Å; Y63-F67 WeakPolarHBondContact O-CD2 3.28Å; Y63-F67 PolarHBondContact O-N 3.47Å |
| 64 | S | 90.2 | Very high | 89.2 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | I60 V62 F67 A68 A911 | I60-S64 WeakPolarHBondContact O-CB 3.28Å; I60-S64 PolarHBondContact O-N 2.91Å; I60-S64 PolarHBondContact O-OG 3.1Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 2.69Å; S64-F67 PolarHBondContact O-N 3.13Å; S64-A68 PolarHBondContact O-N 3.5Å; S64-A911 WeakPolarHBondContact O-CB 3.32Å |
| 65 | K | 92.2 | Very high | 90.2 | Very high | 154 Ų | 154 | 61.6 Ų | 61.6 | 67% | 0.67 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 171.7 | -70.5 | 169.8 | -178.9 | 179 | 0 | 111.6 | Y61 V62 Y63 A68 L69 | Y61-K65 WeakPolarHBondContact O-CG 3.5Å; Y61-K65 PolarHBondContact O-N 3.13Å; Y61-K65 VanDerWaalsContact O-N 3.16Å; V62-K65 WeakPolarHBondContact O-CB 3.31Å; V62-K65 PolarHBondContact O-N 3.41Å; V62-K65 VanDerWaalsContact O-N 3.16Å; Y63-K65 VanDerWaalsContact C-N 3.29Å; Y63-K65 PolarHBondContact O-N 3.3Å; K65-A68 PolarHBondContact O-N 3.26Å; K65-L69 WeakPolarHBondContact O-CB 3.5Å; K65-L69 PolarHBondContact O-N 3.07Å |
| 66 | W | 92.9 | Very high | 91 | Very high | 137 Ų | 137 | 64.6 Ų | 64.6 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 173.9 | -72.1 | 111.4 | 0 | 0 | 0 | 112.3 | I42 V62 Y63 A68 L69 V70 | I42-W66 HydrophobicContact CD1-CB 4.06Å; I42-W66 HydrophobicContact CG2-CB 4.35Å; V62-W66 PolarHBondContact O-N 2.81Å; V62-W66 VanDerWaalsContact O-N 3.17Å; Y63-W66 WeakPolarHBondContact O-CA 3.37Å; Y63-W66 WeakPolarHBondContact O-CB 3.46Å; Y63-W66 PolarHBondContact O-N 2.86Å; Y63-W66 VanDerWaalsContact O-N 3.1Å; W66-A68 PolarHBondContact O-N 3.08Å; W66-L69 HydrophobicContact CE3-CD2 3.87Å; W66-L69 HydrophobicContact CZ3-CD2 3.81Å; W66-L69 WeakPolarHBondContact O-CB 3.36Å; W66-L69 PolarHBondContact O-N 3.27Å; W66-V70 WeakPolarHBondContact O-CG2 3.5Å; W66-V70 PolarHBondContact O-N 2.89Å |
| 67 | F | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 173.7 | -74.1 | -51.8 | 0 | 0 | 0 | 112.8 | H39 I42 L43 V46 Y63 S64 L69 V70 G71 V910 A911 Y914 | H39-F67 AromaticContact CD2-CD1 3.57Å; H39-F67 AromaticContact CD2-CE1 3.22Å; H39-F67 WeakPolarHBondContact CD2-CE1 3.13Å; H39-F67 AromaticContact NE2-CE1 3.75Å; I42-F67 HydrophobicContact CB-CD1 4.25Å; I42-F67 HydrophobicContact CB-CE1 3.61Å; I42-F67 HydrophobicContact CB-CZ 3.88Å; I42-F67 HydrophobicContact CD1-CD1 4.25Å; I42-F67 HydrophobicContact CD1-CE1 4.38Å; I42-F67 HydrophobicContact CG2-CD1 3.93Å; I42-F67 HydrophobicContact CG2-CD2 4.15Å; I42-F67 HydrophobicContact CG2-CE1 3.51Å; I42-F67 HydrophobicContact CG2-CE2 3.78Å; I42-F67 HydrophobicContact CG2-CG 4.24Å; I42-F67 HydrophobicContact CG2-CZ 3.44Å; I42-F67 VanDerWaalsContact CG2-CZ 3.44Å; L43-F67 HydrophobicContact CB-CZ 4.48Å; V46-F67 HydrophobicContact CG2-CE2 3.9Å; V46-F67 HydrophobicContact CG2-CZ 4.35Å; Y63-F67 WeakPolarHBondContact O-CD2 3.28Å; Y63-F67 PolarHBondContact O-N 3.47Å; S64-F67 PolarHBondContact O-N 3.13Å; F67-L69 VanDerWaalsContact C-N 3.32Å; F67-L69 PolarHBondContact O-N 3.47Å; F67-V70 PolarHBondContact O-N 3.13Å; F67-G71 PolarHBondContact O-N 3.35Å; F67-V910 HydrophobicContact CD1-CG1 4.05Å; F67-V910 HydrophobicContact CD2-CG1 3.78Å; F67-V910 HydrophobicContact CE1-CG1 4.06Å; F67-V910 HydrophobicContact CE2-CG1 3.76Å; F67-V910 HydrophobicContact CG-CG1 3.91Å; F67-V910 HydrophobicContact CZ-CG1 3.9Å; F67-A911 HydrophobicContact CB-CB 3.8Å; F67-Y914 HydrophobicContact CD2-CD2 4.22Å; F67-Y914 AromaticContact CE2-CD2 3.63Å; F67-Y914 HydrophobicContact CE2-CD2 3.63Å; F67-Y914 AromaticContact CE2-CE2 3.93Å; F67-Y914 HydrophobicContact CE2-CE2 3.93Å; F67-Y914 HydrophobicContact CZ-CD2 4.39Å; F67-Y914 HydrophobicContact CZ-CE2 4.24Å |
| 68 | A | 92.3 | Very high | 91.9 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 28% | 0.281 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | S64 K65 W66 G71 V72 A911 | S64-A68 PolarHBondContact O-N 3.5Å; K65-A68 PolarHBondContact O-N 3.26Å; W66-A68 PolarHBondContact O-N 3.08Å; A68-G71 PolarHBondContact O-N 3.19Å; A68-V72 WeakPolarHBondContact O-CG2 2.99Å; A68-V72 PolarHBondContact O-N 3.12Å; A68-A911 HydrophobicContact CB-CB 4.39Å |
| 69 | L | 93.8 | Very high | 92.3 | Very high | 94 Ų | 94 | 51 Ų | 51 | 49% | 0.492 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174.4 | -175.8 | 67.7 | 0 | 0 | 0 | 111.3 | K65 W66 F67 G71 V72 T73 | K65-L69 WeakPolarHBondContact O-CB 3.5Å; K65-L69 PolarHBondContact O-N 3.07Å; W66-L69 HydrophobicContact CE3-CD2 3.87Å; W66-L69 HydrophobicContact CZ3-CD2 3.81Å; W66-L69 WeakPolarHBondContact O-CB 3.36Å; W66-L69 PolarHBondContact O-N 3.27Å; F67-L69 VanDerWaalsContact C-N 3.32Å; F67-L69 PolarHBondContact O-N 3.47Å; L69-G71 VanDerWaalsContact C-N 3.28Å; L69-G71 PolarHBondContact O-N 3.2Å; L69-V72 PolarHBondContact O-N 2.75Å; L69-T73 WeakPolarHBondContact O-CG2 3.41Å; L69-T73 PolarHBondContact O-N 2.83Å; L69-T73 PolarHBondContact O-OG1 2.78Å |
| 70 | V | 93.1 | Very high | 92.6 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.2 | -42.1 | 173.9 | 172 | 0 | 0 | 0 | 0 | 110.5 | L35 I42 W66 F67 V72 T73 A74 F907 | L35-V70 HydrophobicContact CB-CG1 4.45Å; L35-V70 HydrophobicContact CD2-CG1 4.36Å; I42-V70 HydrophobicContact CD1-CG2 3.74Å; W66-V70 WeakPolarHBondContact O-CG2 3.5Å; W66-V70 PolarHBondContact O-N 2.89Å; F67-V70 PolarHBondContact O-N 3.13Å; V70-V72 PolarHBondContact O-N 2.76Å; V70-T73 WeakPolarHBondContact CA-OG1 2.87Å; V70-T73 PolarHBondContact O-N 3.23Å; V70-T73 PolarHBondContact O-OG1 2.89Å; V70-A74 WeakPolarHBondContact O-CB 3.2Å; V70-A74 PolarHBondContact O-N 2.87Å; V70-F907 HydrophobicContact CG1-CD1 3.68Å; V70-F907 HydrophobicContact CG1-CD2 4.4Å; V70-F907 HydrophobicContact CG1-CE1 3.78Å; V70-F907 HydrophobicContact CG1-CE2 4.49Å; V70-F907 HydrophobicContact CG1-CG 4.01Å; V70-F907 HydrophobicContact CG1-CZ 4.19Å |
| 71 | G | 92.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F67 A68 L69 A74 L75 S904 F907 F908 | F67-G71 PolarHBondContact O-N 3.35Å; A68-G71 PolarHBondContact O-N 3.19Å; L69-G71 VanDerWaalsContact C-N 3.28Å; L69-G71 PolarHBondContact O-N 3.2Å; G71-A74 PolarHBondContact O-N 3.24Å; G71-L75 WeakPolarHBondContact O-CB 3.33Å; G71-L75 PolarHBondContact O-N 3.5Å; G71-S904 WeakPolarHBondContact O-CB 3.21Å; G71-F907 VanDerWaalsContact CA-CB 3.43Å; G71-F908 VanDerWaalsContact C-CZ 3.49Å |
| 72 | V | 94.6 | Very high | 92.7 | Very high | 68 Ų | 68 | 47 Ų | 47 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 174.7 | 174.6 | 0 | 0 | 0 | 0 | 111 | A68 L69 V70 A74 L75 L76 F908 | A68-V72 WeakPolarHBondContact O-CG2 2.99Å; A68-V72 PolarHBondContact O-N 3.12Å; L69-V72 PolarHBondContact O-N 2.75Å; V70-V72 PolarHBondContact O-N 2.76Å; V72-A74 PolarHBondContact O-N 2.57Å; V72-L75 WeakPolarHBondContact O-CB 3.41Å; V72-L75 PolarHBondContact O-N 2.75Å; V72-L76 HydrophobicContact CG1-CD1 4.24Å; V72-L76 WeakPolarHBondContact O-CG 3.4Å; V72-L76 PolarHBondContact O-N 2.85Å; V72-L76 VanDerWaalsContact O-N 3.09Å; V72-F908 HydrophobicContact CG2-CE1 4.01Å; V72-F908 HydrophobicContact CG2-CZ 3.94Å |
| 73 | T | 94.2 | Very high | 92.7 | Very high | 49 Ų | 49 | 46 Ų | 46 | 30% | 0.301 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.6 | -41.2 | 176 | 61 | 0 | 0 | 0 | 0 | 111.8 | L69 V70 L75 L76 L77 | L69-T73 WeakPolarHBondContact O-CG2 3.41Å; L69-T73 PolarHBondContact O-N 2.83Å; L69-T73 PolarHBondContact O-OG1 2.78Å; V70-T73 WeakPolarHBondContact CA-OG1 2.87Å; V70-T73 PolarHBondContact O-N 3.23Å; V70-T73 PolarHBondContact O-OG1 2.89Å; T73-L75 PolarHBondContact O-N 2.89Å; T73-L76 PolarHBondContact O-N 2.89Å; T73-L77 VanDerWaalsContact O-CB 3.28Å; T73-L77 WeakPolarHBondContact O-CB 3.35Å; T73-L77 WeakPolarHBondContact O-CG 3.3Å; T73-L77 PolarHBondContact O-N 2.94Å |
| 74 | A | 92.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L35 V70 G71 V72 A78 F907 | L35-A74 HydrophobicContact CD1-CB 3.68Å; V70-A74 WeakPolarHBondContact O-CB 3.2Å; V70-A74 PolarHBondContact O-N 2.87Å; G71-A74 PolarHBondContact O-N 3.24Å; V72-A74 PolarHBondContact O-N 2.57Å; A74-A78 WeakPolarHBondContact O-CB 3.4Å; A74-A78 PolarHBondContact O-N 3.4Å; A74-F907 HydrophobicContact CB-CD2 3.68Å; A74-F907 HydrophobicContact CB-CE2 3.5Å |
| 75 | L | 93.7 | Very high | 92.8 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 32% | 0.319 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.2 | -50.1 | 177.5 | -176.8 | 74.3 | 0 | 0 | 0 | 111.4 | G71 V72 T73 F79 A900 I901 S904 | G71-L75 WeakPolarHBondContact O-CB 3.33Å; G71-L75 PolarHBondContact O-N 3.5Å; V72-L75 WeakPolarHBondContact O-CB 3.41Å; V72-L75 PolarHBondContact O-N 2.75Å; T73-L75 PolarHBondContact O-N 2.89Å; L75-F79 VanDerWaalsContact O-CB 3.3Å; L75-F79 WeakPolarHBondContact O-CB 3.11Å; L75-F79 PolarHBondContact O-N 3.22Å; L75-A900 HydrophobicContact CD1-CB 3.89Å; L75-A900 WeakPolarHBondContact O-CB 3.43Å; L75-I901 HydrophobicContact CD1-CG1 4.46Å; L75-S904 VanDerWaalsContact CD1-OG 3.26Å; L75-S904 WeakPolarHBondContact CD1-OG 3.4Å |
| 76 | L | 95.1 | Very high | 92.6 | Very high | 116 Ų | 116 | 39.1 Ų | 39.1 | 61% | 0.607 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -67.4 | -44.2 | -178.1 | -67.3 | 175.5 | 0 | 0 | 0 | 112 | V72 T73 G80 | V72-L76 HydrophobicContact CG1-CD1 4.24Å; V72-L76 WeakPolarHBondContact O-CG 3.4Å; V72-L76 PolarHBondContact O-N 2.85Å; V72-L76 VanDerWaalsContact O-N 3.09Å; T73-L76 PolarHBondContact O-N 2.89Å; L76-G80 PolarHBondContact O-N 3.26Å |
| 77 | L | 94.9 | Very high | 92.4 | Very high | 26 Ų | 26 | 33.7 Ų | 33.7 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.9 | -42.7 | -179.9 | -68.2 | 171.6 | 0 | 0 | 0 | 111.7 | F28 I31 L35 T73 G80 Q81 | F28-L77 HydrophobicContact CB-CD2 4.11Å; F28-L77 HydrophobicContact CD1-CD2 3.37Å; F28-L77 HydrophobicContact CE1-CD2 3.95Å; F28-L77 HydrophobicContact CG-CD2 3.91Å; I31-L77 HydrophobicContact CB-CD1 4.02Å; I31-L77 HydrophobicContact CG2-CD1 3.43Å; I31-L77 VanDerWaalsContact CG2-CD1 3.43Å; L35-L77 HydrophobicContact CD1-CD1 4.15Å; T73-L77 VanDerWaalsContact O-CB 3.28Å; T73-L77 WeakPolarHBondContact O-CB 3.35Å; T73-L77 WeakPolarHBondContact O-CG 3.3Å; T73-L77 PolarHBondContact O-N 2.94Å; L77-G80 PolarHBondContact O-N 2.77Å; L77-Q81 WeakPolarHBondContact O-CB 3.43Å; L77-Q81 PolarHBondContact O-N 3.21Å |
| 78 | A | 91.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.1 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A74 D82 Y899 A900 E903 | A74-A78 WeakPolarHBondContact O-CB 3.4Å; A74-A78 PolarHBondContact O-N 3.4Å; A78-D82 WeakPolarHBondContact O-CB 3.45Å; A78-D82 PolarHBondContact O-N 3.38Å; A78-Y899 HydrophobicContact CB-CD1 4.08Å; A78-Y899 HydrophobicContact CB-CE1 3.92Å; A78-A900 HydrophobicContact CB-CB 4.31Å; A78-E903 HydrophobicContact CB-CB 4Å; A78-E903 HydrophobicContact CB-CG 4.34Å |
| 79 | F | 93.6 | Very high | 92.1 | Very high | 63 Ų | 63 | 32.2 Ų | 32.2 | 28% | 0.276 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.6 | -51 | 173.2 | 177.3 | -99.5 | 0 | 0 | 0 | 111.2 | L75 Q81 D82 F83 F893 A896 I897 A900 | L75-F79 VanDerWaalsContact O-CB 3.3Å; L75-F79 WeakPolarHBondContact O-CB 3.11Å; L75-F79 PolarHBondContact O-N 3.22Å; F79-Q81 PolarHBondContact O-N 3.17Å; F79-D82 PolarHBondContact O-N 3.44Å; F79-F83 HydrophobicContact CZ-CB 4.47Å; F79-F83 HydrophobicContact CZ-CG 4.45Å; F79-F83 WeakPolarHBondContact O-CB 3.46Å; F79-F83 PolarHBondContact O-N 2.89Å; F79-F893 HydrophobicContact CE2-CD2 4.45Å; F79-F893 HydrophobicContact CE2-CE2 4.22Å; F79-F893 HydrophobicContact CZ-CD2 4.21Å; F79-F893 AromaticContact CZ-CE2 3.83Å; F79-F893 HydrophobicContact CZ-CE2 3.83Å; F79-A896 HydrophobicContact CD2-CB 4.01Å; F79-A896 HydrophobicContact CE2-CB 4.02Å; F79-I897 HydrophobicContact CD2-CG1 4.13Å; F79-I897 HydrophobicContact CE2-CG1 3.79Å; F79-A900 HydrophobicContact CB-CB 3.68Å |
| 80 | G | 93.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L76 L77 L84 | L76-G80 PolarHBondContact O-N 3.26Å; L77-G80 PolarHBondContact O-N 2.77Å; G80-L84 WeakPolarHBondContact O-CB 3.26Å; G80-L84 WeakPolarHBondContact O-CD1 3.28Å; G80-L84 WeakPolarHBondContact O-CG 3.45Å; G80-L84 PolarHBondContact O-N 3.31Å |
| 81 | Q | 92.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.8 | -59.6 | 177 | 176 | -167.1 | -31.3 | 0 | 0 | 110.7 | F28 A29 L77 F79 I85 T140 | F28-Q81 HydrophobicContact CB-CB 4.03Å; A29-Q81 HydrophobicContact CB-CG 4.03Å; L77-Q81 WeakPolarHBondContact O-CB 3.43Å; L77-Q81 PolarHBondContact O-N 3.21Å; F79-Q81 PolarHBondContact O-N 3.17Å; Q81-I85 WeakPolarHBondContact O-CB 3.43Å; Q81-I85 VanDerWaalsContact O-CG2 3.22Å; Q81-I85 WeakPolarHBondContact O-CG2 3.29Å; Q81-I85 PolarHBondContact O-N 2.73Å; Q81-T140 HydrophobicContact CG-CG2 4.06Å; Q81-T140 VanDerWaalsContact NE2-CB 3.31Å; Q81-T140 PolarHBondContact NE2-OG1 3.47Å; Q81-T140 VanDerWaalsContact NE2-OG1 3.14Å |
| 82 | D | 88.8 | Confident | 91.1 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.2 | -38.2 | -172 | -170.9 | 65.4 | 0 | 0 | 0 | 111.9 | A78 F79 I85 N86 A896 Y899 | A78-D82 WeakPolarHBondContact O-CB 3.45Å; A78-D82 PolarHBondContact O-N 3.38Å; F79-D82 PolarHBondContact O-N 3.44Å; D82-I85 WeakPolarHBondContact O-CG2 3.4Å; D82-N86 WeakPolarHBondContact O-CB 3.37Å; D82-N86 PolarHBondContact O-N 3.29Å; D82-N86 VanDerWaalsContact O-N 3.17Å; D82-N86 PolarHBondContact O-ND2 3.35Å; D82-N86 PolarHBondContact OD1-ND2 2.89Å; D82-N86 PolarHBondContact OD2-ND2 2.95Å; D82-A896 HydrophobicContact CB-CB 4.27Å; D82-A896 WeakPolarHBondContact OD2-CA 3.49Å; D82-A896 PolarHBondContact OD2-N 2.95Å; D82-Y899 HydrophobicContact CB-CD1 3.55Å; D82-Y899 HydrophobicContact CB-CE1 4.05Å; D82-Y899 HydrophobicContact CB-CG 4.16Å |
| 83 | F | 91.9 | Very high | 90.7 | Very high | 53 Ų | 53 | 30.9 Ų | 30.9 | 23% | 0.232 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.5 | -49.3 | 177 | -177.7 | -105 | 0 | 0 | 0 | 112 | F79 L87 I892 F893 A896 | F79-F83 HydrophobicContact CZ-CB 4.47Å; F79-F83 HydrophobicContact CZ-CG 4.45Å; F79-F83 WeakPolarHBondContact O-CB 3.46Å; F79-F83 PolarHBondContact O-N 2.89Å; F83-L87 HydrophobicContact CE1-CD2 4.2Å; F83-L87 HydrophobicContact CZ-CD2 4.43Å; F83-L87 WeakPolarHBondContact O-CB 3.3Å; F83-L87 PolarHBondContact O-N 3.36Å; F83-I892 HydrophobicContact CD2-CG2 4.19Å; F83-F893 HydrophobicContact CD2-CD2 4.36Å; F83-F893 HydrophobicContact CE2-CB 4.41Å; F83-F893 HydrophobicContact CE2-CD2 4.05Å; F83-A896 HydrophobicContact CB-CB 3.89Å; F83-A896 HydrophobicContact CD2-CB 4.48Å |
| 84 | L | 92.8 | Very high | 90.2 | Very high | 37 Ų | 37 | 29.9 Ų | 29.9 | 19% | 0.194 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.4 | -41.7 | -176.6 | -69.6 | 174.2 | 0 | 0 | 0 | 112 | A21 M24 A25 F28 G80 F88 | A21-L84 HydrophobicContact CB-CD2 4.17Å; M24-L84 HydrophobicContact CB-CD1 3.8Å; A25-L84 HydrophobicContact CB-CB 3.91Å; F28-L84 HydrophobicContact CD2-CD1 4.09Å; F28-L84 HydrophobicContact CE2-CD1 3.8Å; G80-L84 WeakPolarHBondContact O-CB 3.26Å; G80-L84 WeakPolarHBondContact O-CD1 3.28Å; G80-L84 WeakPolarHBondContact O-CG 3.45Å; G80-L84 PolarHBondContact O-N 3.31Å; L84-F88 VanDerWaalsContact O-CB 3.26Å; L84-F88 WeakPolarHBondContact O-CB 3.34Å; L84-F88 PolarHBondContact O-N 2.59Å |
| 85 | I | 91 | Very high | 90 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.2 | -47 | 179.4 | -166.8 | 64.1 | 0 | 0 | 0 | 111.1 | L22 A25 Q81 D82 L87 F88 T89 T140 | L22-I85 HydrophobicContact CD1-CD1 3.78Å; A25-I85 HydrophobicContact CB-CB 4.23Å; Q81-I85 WeakPolarHBondContact O-CB 3.43Å; Q81-I85 VanDerWaalsContact O-CG2 3.22Å; Q81-I85 WeakPolarHBondContact O-CG2 3.29Å; Q81-I85 PolarHBondContact O-N 2.73Å; D82-I85 WeakPolarHBondContact O-CG2 3.4Å; I85-L87 VanDerWaalsContact C-N 3.33Å; I85-L87 PolarHBondContact O-N 3.15Å; I85-F88 HydrophobicContact CD1-CD1 4.14Å; I85-F88 WeakPolarHBondContact O-CB 3.31Å; I85-F88 PolarHBondContact O-N 2.74Å; I85-T89 WeakPolarHBondContact O-CB 3.1Å; I85-T89 PolarHBondContact O-N 2.7Å; I85-T89 PolarHBondContact O-OG1 2.79Å; I85-T140 HydrophobicContact CB-CG2 3.89Å; I85-T140 HydrophobicContact CD1-CG2 3.9Å; I85-T140 HydrophobicContact CG1-CG2 3.75Å; I85-T140 HydrophobicContact CG2-CG2 4.3Å |
| 86 | N | 87.8 | Confident | 89.7 | Confident | 39 Ų | 39 | 30.3 Ų | 30.3 | 21% | 0.209 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.9 | -36 | -179.5 | -75.9 | -60.6 | 0 | 0 | 0 | 111.9 | D82 T89 I90 I892 | D82-N86 WeakPolarHBondContact O-CB 3.37Å; D82-N86 PolarHBondContact O-N 3.29Å; D82-N86 VanDerWaalsContact O-N 3.17Å; D82-N86 PolarHBondContact O-ND2 3.35Å; D82-N86 PolarHBondContact OD1-ND2 2.89Å; D82-N86 PolarHBondContact OD2-ND2 2.95Å; N86-T89 PolarHBondContact O-N 3.4Å; N86-I90 WeakPolarHBondContact O-CB 3.35Å; N86-I90 WeakPolarHBondContact O-CG2 3.47Å; N86-I90 PolarHBondContact O-N 2.98Å; N86-I892 HydrophobicContact CB-CD1 4.38Å; N86-I892 HydrophobicContact CB-CG1 4.21Å; N86-I892 HydrophobicContact CB-CG2 3.63Å |
| 87 | L | 88.2 | Confident | 89.3 | Confident | 22 Ų | 22 | 26.3 Ų | 26.3 | 12% | 0.115 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 173.6 | -178.2 | 63.8 | 0 | 0 | 0 | 112 | F83 I85 I90 R91 L889 | F83-L87 HydrophobicContact CE1-CD2 4.2Å; F83-L87 HydrophobicContact CZ-CD2 4.43Å; F83-L87 WeakPolarHBondContact O-CB 3.3Å; F83-L87 PolarHBondContact O-N 3.36Å; I85-L87 VanDerWaalsContact C-N 3.33Å; I85-L87 PolarHBondContact O-N 3.15Å; L87-I90 WeakPolarHBondContact O-CG2 3.36Å; L87-R91 WeakPolarHBondContact O-CG 3.4Å; L87-R91 PolarHBondContact O-N 3.42Å; L87-L889 HydrophobicContact CD1-CD2 3.55Å |
| 88 | F | 90.2 | Very high | 89 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.6 | -51.9 | 173.8 | 163.3 | -97 | 0 | 0 | 0 | 110.7 | F11 T14 E18 L22 L84 I85 I90 R91 Q92 M135 | F11-F88 HydrophobicContact CD1-CE1 4.38Å; F11-F88 AromaticContact CD1-CZ 3.67Å; F11-F88 HydrophobicContact CD1-CZ 3.67Å; F11-F88 AromaticContact CE1-CE1 3.93Å; F11-F88 HydrophobicContact CE1-CE1 3.93Å; F11-F88 AromaticContact CE1-CZ 3.68Å; F11-F88 HydrophobicContact CE1-CZ 3.68Å; T14-F88 HydrophobicContact CG2-CD2 4.42Å; T14-F88 HydrophobicContact CG2-CE2 3.67Å; E18-F88 HydrophobicContact CB-CD2 4.03Å; E18-F88 HydrophobicContact CB-CE2 4.4Å; L22-F88 HydrophobicContact CB-CD2 4.17Å; L22-F88 HydrophobicContact CB-CE2 4.3Å; L22-F88 HydrophobicContact CB-CG 4.36Å; L22-F88 HydrophobicContact CD1-CD1 4.14Å; L22-F88 HydrophobicContact CD1-CE1 4.07Å; L22-F88 HydrophobicContact CD2-CE1 4.39Å; L22-F88 HydrophobicContact CD2-CE2 4.34Å; L22-F88 HydrophobicContact CD2-CZ 4.05Å; L84-F88 VanDerWaalsContact O-CB 3.26Å; L84-F88 WeakPolarHBondContact O-CB 3.34Å; L84-F88 PolarHBondContact O-N 2.59Å; I85-F88 HydrophobicContact CD1-CD1 4.14Å; I85-F88 WeakPolarHBondContact O-CB 3.31Å; I85-F88 PolarHBondContact O-N 2.74Å; F88-I90 PolarHBondContact O-N 3.42Å; F88-R91 PolarHBondContact O-N 3.45Å; F88-Q92 HydrophobicContact CD2-CG 4.05Å; F88-Q92 HydrophobicContact CE1-CG 4.15Å; F88-Q92 HydrophobicContact CE2-CG 3.48Å; F88-Q92 VanDerWaalsContact CE2-CG 3.48Å; F88-Q92 HydrophobicContact CZ-CG 3.52Å; F88-Q92 WeakPolarHBondContact O-CG 3.36Å; F88-Q92 PolarHBondContact O-N 3.5Å; F88-M135 HydrophobicContact CE1-CE 4Å; F88-M135 HydrophobicContact CZ-CE 3.84Å |
| 89 | T | 87.4 | Confident | 88.9 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | -175.8 | -53.6 | 0 | 0 | 0 | 0 | 112 | I85 N86 R91 Q92 I93 Q132 M135 G136 | I85-T89 WeakPolarHBondContact O-CB 3.1Å; I85-T89 PolarHBondContact O-N 2.7Å; I85-T89 PolarHBondContact O-OG1 2.79Å; N86-T89 PolarHBondContact O-N 3.4Å; T89-R91 VanDerWaalsContact C-N 3.3Å; T89-R91 PolarHBondContact O-N 3Å; T89-Q92 PolarHBondContact O-N 2.93Å; T89-I93 HydrophobicContact CG2-CG1 4.06Å; T89-I93 WeakPolarHBondContact O-CB 3.33Å; T89-I93 WeakPolarHBondContact O-CG1 3.34Å; T89-I93 PolarHBondContact O-N 2.81Å; T89-Q132 HydrophobicContact CG2-CB 4.39Å; T89-Q132 HydrophobicContact CG2-CG 3.69Å; T89-M135 PolarHBondContact OG1-O 3.38Å; T89-G136 WeakPolarHBondContact OG1-CA 3.22Å |
| 90 | I | 85.1 | Confident | 88.8 | Confident | 22 Ų | 22 | 25.7 Ų | 25.7 | 11% | 0.113 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.9 | -36.2 | -179 | -165.1 | 167 | 0 | 0 | 0 | 112.4 | N86 L87 F88 N94 V885 N888 I892 | N86-I90 WeakPolarHBondContact O-CB 3.35Å; N86-I90 WeakPolarHBondContact O-CG2 3.47Å; N86-I90 PolarHBondContact O-N 2.98Å; L87-I90 WeakPolarHBondContact O-CG2 3.36Å; F88-I90 PolarHBondContact O-N 3.42Å; I90-N94 VanDerWaalsContact O-CB 3.3Å; I90-N94 WeakPolarHBondContact O-CB 2.97Å; I90-N94 PolarHBondContact O-N 3.43Å; I90-V885 HydrophobicContact CG1-CG2 4.35Å; I90-N888 HydrophobicContact CD1-CB 3.36Å; I90-I892 HydrophobicContact CB-CD1 4.19Å; I90-I892 HydrophobicContact CD1-CD1 3.89Å; I90-I892 HydrophobicContact CG2-CD1 3.88Å |
| 91 | R | 86.2 | Confident | 88.7 | Confident | 112 Ų | 112 | 25.2 Ų | 25.2 | 42% | 0.423 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -69.5 | -44.6 | 176.8 | -72.6 | 177.9 | 176.3 | 173.5 | -0 | 111.6 | L87 F88 T89 N94 R95 | L87-R91 WeakPolarHBondContact O-CG 3.4Å; L87-R91 PolarHBondContact O-N 3.42Å; F88-R91 PolarHBondContact O-N 3.45Å; T89-R91 VanDerWaalsContact C-N 3.3Å; T89-R91 PolarHBondContact O-N 3Å; R91-N94 PolarHBondContact O-N 2.99Å; R91-R95 WeakPolarHBondContact O-CB 3.16Å; R91-R95 PolarHBondContact O-N 3.3Å |
| 92 | Q | 87 | Confident | 88.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 176.7 | -74.5 | -55.1 | -46.6 | 0 | 0 | 111.9 | T14 E18 F88 T89 N94 R95 I96 M135 | T14-Q92 PolarHBondContact OG1-NE2 2.89Å; E18-Q92 PolarHBondContact OE2-NE2 3.48Å; F88-Q92 HydrophobicContact CD2-CG 4.05Å; F88-Q92 HydrophobicContact CE1-CG 4.15Å; F88-Q92 HydrophobicContact CE2-CG 3.48Å; F88-Q92 VanDerWaalsContact CE2-CG 3.48Å; F88-Q92 HydrophobicContact CZ-CG 3.52Å; F88-Q92 WeakPolarHBondContact O-CG 3.36Å; F88-Q92 PolarHBondContact O-N 3.5Å; T89-Q92 PolarHBondContact O-N 2.93Å; Q92-N94 PolarHBondContact O-N 3.2Å; Q92-R95 WeakPolarHBondContact O-CB 3.41Å; Q92-R95 PolarHBondContact O-N 2.86Å; Q92-I96 VanDerWaalsContact O-CG1 3.32Å; Q92-I96 WeakPolarHBondContact O-CG1 3.19Å; Q92-I96 PolarHBondContact O-N 2.74Å; Q92-M135 HydrophobicContact CB-CE 4.22Å; Q92-M135 HydrophobicContact CG-CE 4.19Å |
| 93 | I | 86.1 | Confident | 88.8 | Confident | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.062 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 179.1 | -68.1 | -65.4 | 0 | 0 | 0 | 111.1 | T89 R95 I96 H97 I128 I131 Q132 | T89-I93 HydrophobicContact CG2-CG1 4.06Å; T89-I93 WeakPolarHBondContact O-CB 3.33Å; T89-I93 WeakPolarHBondContact O-CG1 3.34Å; T89-I93 PolarHBondContact O-N 2.81Å; I93-R95 VanDerWaalsContact C-N 3.3Å; I93-R95 PolarHBondContact O-N 2.67Å; I93-I96 PolarHBondContact O-N 2.88Å; I93-H97 PolarHBondContact O-CD2 2.99Å; I93-H97 PolarHBondContact O-N 3.42Å; I93-I128 HydrophobicContact CD1-CG2 3.72Å; I93-I128 HydrophobicContact CG2-CG2 3.71Å; I93-I131 HydrophobicContact CD1-CB 4.28Å; I93-I131 HydrophobicContact CD1-CG2 3.97Å; I93-Q132 HydrophobicContact CD1-CB 3.68Å; I93-Q132 HydrophobicContact CG1-CB 3.85Å; I93-Q132 HydrophobicContact CG1-CG 4.15Å |
| 94 | N | 84.9 | Confident | 88.9 | Confident | 28 Ų | 28 | 29.6 Ų | 29.6 | 15% | 0.15 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.8 | -40.8 | 175 | -167.3 | 62.7 | 0 | 0 | 0 | 112.1 | I90 R91 Q92 H97 L98 A881 V885 | I90-N94 VanDerWaalsContact O-CB 3.3Å; I90-N94 WeakPolarHBondContact O-CB 2.97Å; I90-N94 PolarHBondContact O-N 3.43Å; R91-N94 PolarHBondContact O-N 2.99Å; Q92-N94 PolarHBondContact O-N 3.2Å; N94-H97 WeakPolarHBondContact O-CB 3.37Å; N94-H97 PolarHBondContact O-N 2.99Å; N94-L98 WeakPolarHBondContact O-CG 3.05Å; N94-L98 PolarHBondContact O-N 2.99Å; N94-L98 VanDerWaalsContact O-N 3.09Å; N94-A881 VanDerWaalsContact OD1-CB 3.27Å; N94-A881 WeakPolarHBondContact OD1-CB 3.45Å; N94-A881 PolarHBondContact OD1-O 3.39Å; N94-V885 HydrophobicContact CB-CG2 3.79Å |
| 95 | R | 87.2 | Confident | 88.8 | Confident | 76 Ų | 76 | 28.4 Ų | 28.4 | 29% | 0.287 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -65 | -42.3 | 175.5 | -178.1 | 171.7 | -70.8 | -179.3 | -1.1 | 112.1 | N13 N15 R91 Q92 I93 L98 L99 | N13-R95 WeakPolarHBondContact O-CD 3.41Å; N13-R95 PolarHBondContact O-NH1 3.17Å; N15-R95 PolarHBondContact ND2-NH2 2.77Å; N15-R95 PolarHBondContact OD1-NH1 2.81Å; N15-R95 PolarHBondContact OD1-NH2 3.09Å; R91-R95 WeakPolarHBondContact O-CB 3.16Å; R91-R95 PolarHBondContact O-N 3.3Å; Q92-R95 WeakPolarHBondContact O-CB 3.41Å; Q92-R95 PolarHBondContact O-N 2.86Å; I93-R95 VanDerWaalsContact C-N 3.3Å; I93-R95 PolarHBondContact O-N 2.67Å; R95-L98 PolarHBondContact O-N 2.93Å; R95-L99 HydrophobicContact CG-CD1 3.9Å; R95-L99 HydrophobicContact CG-CG 4.36Å; R95-L99 WeakPolarHBondContact O-CB 3.41Å; R95-L99 VanDerWaalsContact O-CG 3.31Å; R95-L99 WeakPolarHBondContact O-CG 3.39Å; R95-L99 PolarHBondContact O-N 3.39Å |
| 96 | I | 87.7 | Confident | 88.9 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 175.8 | -67.8 | 167 | 0 | 0 | 0 | 110.4 | Q92 I93 L98 L99 Y100 I128 I131 I314 | Q92-I96 VanDerWaalsContact O-CG1 3.32Å; Q92-I96 WeakPolarHBondContact O-CG1 3.19Å; Q92-I96 PolarHBondContact O-N 2.74Å; I93-I96 PolarHBondContact O-N 2.88Å; I96-L98 PolarHBondContact O-N 2.93Å; I96-L99 PolarHBondContact O-N 3.25Å; I96-Y100 WeakPolarHBondContact O-CB 3.45Å; I96-Y100 PolarHBondContact O-N 3.05Å; I96-I128 HydrophobicContact CG2-CD1 4.37Å; I96-I131 HydrophobicContact CD1-CG2 4.13Å; I96-I314 HydrophobicContact CG2-CG2 4.16Å |
| 97 | H | 85.8 | Confident | 89.1 | Confident | 31 Ų | 31 | 30.3 Ų | 30.3 | 14% | 0.144 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.6 | -50.1 | 174.1 | -82.8 | -140.2 | 0 | 0 | 0 | 111.4 | I93 N94 F101 I128 F877 | I93-H97 PolarHBondContact O-CD2 2.99Å; I93-H97 PolarHBondContact O-N 3.42Å; N94-H97 WeakPolarHBondContact O-CB 3.37Å; N94-H97 PolarHBondContact O-N 2.99Å; H97-F101 VanDerWaalsContact O-CB 3.26Å; H97-F101 WeakPolarHBondContact O-CB 3.35Å; H97-F101 PolarHBondContact O-N 3.15Å; H97-I128 WeakPolarHBondContact CD2-CD1 3.3Å; H97-I128 WeakPolarHBondContact NE2-CG2 3.46Å; H97-F877 HydrophobicContact CB-CE1 4.14Å; H97-F877 HydrophobicContact CB-CZ 4.29Å |
| 98 | L | 89.6 | Confident | 89.2 | Confident | 25 Ų | 25 | 29.6 Ų | 29.6 | 13% | 0.131 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.5 | -45.8 | -178.9 | -64.9 | 173.5 | 0 | 0 | 0 | 111.9 | N94 R95 I96 R102 F874 F877 E878 A881 | N94-L98 WeakPolarHBondContact O-CG 3.05Å; N94-L98 PolarHBondContact O-N 2.99Å; N94-L98 VanDerWaalsContact O-N 3.09Å; R95-L98 PolarHBondContact O-N 2.93Å; I96-L98 PolarHBondContact O-N 2.93Å; L98-R102 WeakPolarHBondContact O-CB 3.49Å; L98-R102 PolarHBondContact O-N 3Å; L98-F874 HydrophobicContact CB-CE2 4.34Å; L98-F874 HydrophobicContact CB-CZ 4.43Å; L98-F874 HydrophobicContact CD2-CE2 4.38Å; L98-F874 HydrophobicContact CD2-CZ 4.48Å; L98-F874 WeakPolarHBondContact O-CE2 3.31Å; L98-F877 HydrophobicContact CD2-CD1 3.86Å; L98-F877 HydrophobicContact CD2-CE1 4.1Å; L98-E878 HydrophobicContact CD1-CG 4.32Å; L98-E878 HydrophobicContact CD2-CB 3.85Å; L98-E878 HydrophobicContact CD2-CG 4.05Å; L98-A881 HydrophobicContact CD2-CB 4.23Å |
| 99 | L | 90.2 | Very high | 89.2 | Confident | 58 Ų | 58 | 29.6 Ų | 29.6 | 30% | 0.304 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 179.3 | -71.8 | 173.1 | 0 | 0 | 0 | 111.9 | N13 R95 I96 S103 I318 | N13-L99 HydrophobicContact CB-CD1 4.41Å; N13-L99 WeakPolarHBondContact ND2-CD1 3.35Å; R95-L99 HydrophobicContact CG-CD1 3.9Å; R95-L99 HydrophobicContact CG-CG 4.36Å; R95-L99 WeakPolarHBondContact O-CB 3.41Å; R95-L99 VanDerWaalsContact O-CG 3.31Å; R95-L99 WeakPolarHBondContact O-CG 3.39Å; R95-L99 PolarHBondContact O-N 3.39Å; I96-L99 PolarHBondContact O-N 3.25Å; L99-S103 VanDerWaalsContact O-CB 3.31Å; L99-S103 WeakPolarHBondContact O-CB 3.3Å; L99-S103 PolarHBondContact O-N 3.27Å; L99-S103 PolarHBondContact O-OG 3.03Å; L99-I318 HydrophobicContact CB-CD1 4.25Å |
| 100 | Y | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.5 | -49.4 | 177.9 | -177.9 | -118.1 | 0 | 0 | 0 | 111.1 | I96 R102 S103 I104 T123 L124 I314 I317 I318 | I96-Y100 WeakPolarHBondContact O-CB 3.45Å; I96-Y100 PolarHBondContact O-N 3.05Å; Y100-R102 VanDerWaalsContact C-N 3.35Å; Y100-R102 PolarHBondContact O-N 2.99Å; Y100-S103 WeakPolarHBondContact CA-OG 3.34Å; Y100-S103 PolarHBondContact O-N 3.17Å; Y100-S103 VanDerWaalsContact O-N 3.08Å; Y100-S103 PolarHBondContact O-OG 3.05Å; Y100-I104 HydrophobicContact CD1-CD1 3.83Å; Y100-I104 HydrophobicContact CD2-CD1 4.49Å; Y100-I104 HydrophobicContact CE1-CD1 3.36Å; Y100-I104 HydrophobicContact CE1-CG1 4.36Å; Y100-I104 HydrophobicContact CE2-CD1 4.09Å; Y100-I104 HydrophobicContact CE2-CG1 4.25Å; Y100-I104 HydrophobicContact CG-CD1 4.37Å; Y100-I104 WeakPolarHBondContact O-CG1 3.41Å; Y100-I104 PolarHBondContact O-N 3.23Å; Y100-T123 HydrophobicContact CE1-CG2 4.11Å; Y100-T123 HydrophobicContact CE2-CG2 4.36Å; Y100-T123 VanDerWaalsContact OH-CG2 3.31Å; Y100-T123 WeakPolarHBondContact OH-CG2 3.48Å; Y100-L124 HydrophobicContact CD1-CB 4.49Å; Y100-L124 HydrophobicContact CD1-CD1 3.68Å; Y100-L124 HydrophobicContact CE1-CB 4.16Å; Y100-L124 HydrophobicContact CE1-CD1 4.2Å; Y100-I314 HydrophobicContact CD2-CB 4.48Å; Y100-I314 HydrophobicContact CD2-CG2 3.83Å; Y100-I314 HydrophobicContact CE2-CG1 4.44Å; Y100-I314 HydrophobicContact CE2-CG2 4.47Å; Y100-I314 HydrophobicContact CG-CG2 4.2Å; Y100-I317 HydrophobicContact CD2-CB 4.45Å; Y100-I317 HydrophobicContact CD2-CG2 4.36Å; Y100-I317 HydrophobicContact CE2-CB 3.95Å; Y100-I317 HydrophobicContact CE2-CD1 3.72Å; Y100-I317 HydrophobicContact CE2-CG1 4.41Å; Y100-I317 HydrophobicContact CE2-CG2 3.92Å; Y100-I318 HydrophobicContact CD2-CG1 4.29Å |
| 101 | F | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 178 | -171.7 | -116.5 | 0 | 0 | 0 | 112.1 | H97 S103 I104 L105 A854 V857 F874 F877 | H97-F101 VanDerWaalsContact O-CB 3.26Å; H97-F101 WeakPolarHBondContact O-CB 3.35Å; H97-F101 PolarHBondContact O-N 3.15Å; F101-S103 VanDerWaalsContact C-N 3.31Å; F101-S103 PolarHBondContact O-N 3.2Å; F101-I104 PolarHBondContact O-N 2.83Å; F101-L105 HydrophobicContact CD1-CD1 3.96Å; F101-L105 HydrophobicContact CE1-CD1 3.63Å; F101-L105 HydrophobicContact CE1-CG 4.35Å; F101-L105 HydrophobicContact CZ-CD1 4.05Å; F101-L105 HydrophobicContact CZ-CG 4.34Å; F101-L105 WeakPolarHBondContact O-CG 3.43Å; F101-L105 PolarHBondContact O-N 3.31Å; F101-A854 HydrophobicContact CD2-CB 4.23Å; F101-A854 HydrophobicContact CE2-CB 3.87Å; F101-V857 HydrophobicContact CE2-CG1 4.41Å; F101-V857 HydrophobicContact CZ-CB 4.37Å; F101-V857 HydrophobicContact CZ-CG1 4.2Å; F101-V857 HydrophobicContact CZ-CG2 4.34Å; F101-F874 HydrophobicContact CD1-CD2 4.12Å; F101-F877 HydrophobicContact CB-CD1 4.3Å; F101-F877 HydrophobicContact CB-CE1 4.09Å; F101-F877 HydrophobicContact CB-CZ 4.31Å; F101-F877 HydrophobicContact CD1-CB 3.75Å; F101-F877 AromaticContact CD1-CD1 3.78Å; F101-F877 HydrophobicContact CD1-CD1 3.78Å; F101-F877 HydrophobicContact CD1-CD2 4.04Å; F101-F877 HydrophobicContact CD1-CE1 4.38Å; F101-F877 AromaticContact CD1-CG 3.59Å; F101-F877 HydrophobicContact CD1-CG 3.59Å; F101-F877 HydrophobicContact CD2-CD2 4.43Å; F101-F877 HydrophobicContact CD2-CE2 4.46Å; F101-F877 HydrophobicContact CE1-CB 3.53Å; F101-F877 HydrophobicContact CE1-CD1 4.42Å; F101-F877 HydrophobicContact CE1-CD2 4.09Å; F101-F877 AromaticContact CE1-CG 3.78Å; F101-F877 HydrophobicContact CE1-CG 3.78Å; F101-F877 HydrophobicContact CE2-CD2 4.49Å; F101-F877 HydrophobicContact CG-CD1 4.17Å; F101-F877 HydrophobicContact CG-CD2 4.22Å; F101-F877 HydrophobicContact CG-CE1 4.32Å; F101-F877 HydrophobicContact CG-CE2 4.35Å; F101-F877 HydrophobicContact CG-CG 4.12Å; F101-F877 HydrophobicContact CG-CZ 4.41Å; F101-F877 HydrophobicContact CZ-CB 4.35Å; F101-F877 HydrophobicContact CZ-CD2 4.32Å; F101-F877 HydrophobicContact CZ-CG 4.45Å |
| 102 | R | 92.8 | Very high | 89.7 | Confident | 142 Ų | 142 | 25.5 Ų | 25.5 | 54% | 0.536 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -60.5 | -40 | 173.1 | -170 | 171 | -176 | 168.7 | 1.7 | 112.3 | L98 Y100 L105 R106 F874 | L98-R102 WeakPolarHBondContact O-CB 3.49Å; L98-R102 PolarHBondContact O-N 3Å; Y100-R102 VanDerWaalsContact C-N 3.35Å; Y100-R102 PolarHBondContact O-N 2.99Å; R102-L105 PolarHBondContact O-N 3.42Å; R102-R106 PolarHBondContact O-N 3.27Å; R102-R106 VanDerWaalsContact O-N 3.13Å; R102-F874 HydrophobicContact CB-CD2 3.92Å; R102-F874 HydrophobicContact CB-CE2 3.65Å; R102-F874 HydrophobicContact CB-CZ 4.42Å; R102-F874 HydrophobicContact CG-CD2 4.34Å; R102-F874 HydrophobicContact CG-CE2 4.21Å |
| 103 | S | 91.5 | Very high | 89.7 | Confident | 11 Ų | 11 | 28.3 Ų | 28.3 | 8% | 0.077 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69 | -35.6 | 178.6 | 71.4 | 0 | 0 | 0 | 0 | 112.6 | L99 Y100 F101 R106 Q107 | L99-S103 VanDerWaalsContact O-CB 3.31Å; L99-S103 WeakPolarHBondContact O-CB 3.3Å; L99-S103 PolarHBondContact O-N 3.27Å; L99-S103 PolarHBondContact O-OG 3.03Å; Y100-S103 WeakPolarHBondContact CA-OG 3.34Å; Y100-S103 PolarHBondContact O-N 3.17Å; Y100-S103 VanDerWaalsContact O-N 3.08Å; Y100-S103 PolarHBondContact O-OG 3.05Å; F101-S103 VanDerWaalsContact C-N 3.31Å; F101-S103 PolarHBondContact O-N 3.2Å; S103-R106 PolarHBondContact O-N 2.8Å; S103-Q107 WeakPolarHBondContact O-CG 3.43Å; S103-Q107 PolarHBondContact O-N 2.81Å; S103-Q107 PolarHBondContact O-NE2 2.94Å |
| 104 | I | 92.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63 | -49.9 | 172.9 | -72.1 | 168.7 | 0 | 0 | 0 | 109.9 | Y100 F101 R106 Q107 F112 I317 I858 | Y100-I104 HydrophobicContact CD1-CD1 3.83Å; Y100-I104 HydrophobicContact CD2-CD1 4.49Å; Y100-I104 HydrophobicContact CE1-CD1 3.36Å; Y100-I104 HydrophobicContact CE1-CG1 4.36Å; Y100-I104 HydrophobicContact CE2-CD1 4.09Å; Y100-I104 HydrophobicContact CE2-CG1 4.25Å; Y100-I104 HydrophobicContact CG-CD1 4.37Å; Y100-I104 WeakPolarHBondContact O-CG1 3.41Å; Y100-I104 PolarHBondContact O-N 3.23Å; F101-I104 PolarHBondContact O-N 2.83Å; I104-R106 PolarHBondContact O-N 3.39Å; I104-Q107 WeakPolarHBondContact O-CB 3.35Å; I104-Q107 PolarHBondContact O-N 3.14Å; I104-F112 HydrophobicContact CG2-CE1 3.86Å; I104-F112 HydrophobicContact CG2-CZ 3.68Å; I104-F112 WeakPolarHBondContact O-CZ 3.36Å; I104-I317 HydrophobicContact CG1-CG2 4.42Å; I104-I858 HydrophobicContact CG2-CG1 4.33Å |
| 105 | L | 91.9 | Very high | 89.6 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.4 | -31.4 | 179.6 | -75.8 | 174.2 | 0 | 0 | 0 | 113.1 | F101 R102 K326 V857 V864 E870 F874 | F101-L105 HydrophobicContact CD1-CD1 3.96Å; F101-L105 HydrophobicContact CE1-CD1 3.63Å; F101-L105 HydrophobicContact CE1-CG 4.35Å; F101-L105 HydrophobicContact CZ-CD1 4.05Å; F101-L105 HydrophobicContact CZ-CG 4.34Å; F101-L105 WeakPolarHBondContact O-CG 3.43Å; F101-L105 PolarHBondContact O-N 3.31Å; R102-L105 PolarHBondContact O-N 3.42Å; L105-K326 PolarHBondContact O-NZ 2.89Å; L105-V857 HydrophobicContact CD2-CG1 3.51Å; L105-V864 HydrophobicContact CD2-CG1 4.44Å; L105-E870 HydrophobicContact CB-CB 4.17Å; L105-E870 HydrophobicContact CB-CG 4.26Å; L105-E870 HydrophobicContact CD1-CB 4.47Å; L105-E870 WeakPolarHBondContact CD1-O 3.22Å; L105-E870 HydrophobicContact CD2-CB 4.25Å; L105-E870 HydrophobicContact CD2-CG 4.17Å; L105-F874 HydrophobicContact CD1-CB 3.88Å |
| 106 | R | 92.4 | Very high | 89.3 | Confident | 78 Ų | 78 | 35 Ų | 35 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -71.5 | -26.7 | 176.4 | -171.2 | -179.5 | 179.7 | -168.3 | -0.2 | 113.1 | R102 S103 I104 P322 D325 | R102-R106 PolarHBondContact O-N 3.27Å; R102-R106 VanDerWaalsContact O-N 3.13Å; S103-R106 PolarHBondContact O-N 2.8Å; I104-R106 PolarHBondContact O-N 3.39Å; R106-P322 HydrophobicContact CG-CG 4.24Å; R106-D325 IonicContact CZ-OD1 3.67Å; R106-D325 IonicContact CZ-OD2 2.57Å; R106-D325 IonicContact NE-OD1 3.31Å; R106-D325 PolarHBondContact NE-OD1 3.09Å; R106-D325 IonicContact NE-OD2 2.72Å; R106-D325 IonicContact NH2-OD1 3.11Å; R106-D325 IonicContact NH2-OD2 3.81Å; R106-D325 PolarHBondContact NH2-OD2 2.78Å |
| 107 | Q | 92.1 | Very high | 89 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -62.1 | 155.3 | -175.8 | -58.8 | -52 | -46.4 | 0 | 0 | 112.5 | S103 I104 W111 F112 R320 K326 | S103-Q107 WeakPolarHBondContact O-CG 3.43Å; S103-Q107 PolarHBondContact O-N 2.81Å; S103-Q107 PolarHBondContact O-NE2 2.94Å; I104-Q107 WeakPolarHBondContact O-CB 3.35Å; I104-Q107 PolarHBondContact O-N 3.14Å; Q107-W111 HydrophobicContact CB-CB 4.42Å; Q107-W111 HydrophobicContact CB-CD2 4.03Å; Q107-W111 HydrophobicContact CB-CE3 3.61Å; Q107-W111 HydrophobicContact CB-CG 4.42Å; Q107-W111 HydrophobicContact CB-CZ3 4.18Å; Q107-W111 HydrophobicContact CG-CD2 3.9Å; Q107-W111 HydrophobicContact CG-CE3 3.67Å; Q107-W111 HydrophobicContact CG-CH2 4.32Å; Q107-W111 HydrophobicContact CG-CZ3 3.9Å; Q107-F112 HydrophobicContact CB-CE2 4.17Å; Q107-R320 PolarHBondContact NE2-O 2.89Å; Q107-K326 WeakPolarHBondContact O-CE 3.41Å; Q107-K326 PolarHBondContact O-NZ 2.99Å |
| 108 | D | 90.9 | Very high | 88.7 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | trans | -80.4 | 159.9 | 176.3 | 57.1 | -25.6 | 0 | 0 | 0 | 112.3 | A110 W111 F112 R320 P322 I324 | D108-A110 VanDerWaalsContact C-N 3.31Å; D108-A110 PolarHBondContact O-N 2.86Å; D108-W111 WeakPolarHBondContact O-CB 3.5Å; D108-W111 PolarHBondContact O-N 2.96Å; D108-W111 VanDerWaalsContact O-N 3.16Å; D108-W111 VanDerWaalsContact OD1-CB 3.29Å; D108-W111 WeakPolarHBondContact OD1-CB 3.29Å; D108-F112 WeakPolarHBondContact O-CD2 3.47Å; D108-F112 PolarHBondContact O-N 3.33Å; D108-R320 IonicContact OD1-NH1 2.91Å; D108-R320 PolarHBondContact OD1-NH1 3.47Å; D108-R320 IonicContact OD1-NH2 3.5Å; D108-P322 HydrophobicContact CB-CB 4.24Å; D108-I324 HydrophobicContact CB-CB 4.18Å | ||
| 109 | I | 91 | Very high | 88.4 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -37 | -177.2 | -63 | -141 | 0 | 0 | 0 | 111.4 | W111 F112 D113 F391 Y392 Y862 T865 | I109-W111 PolarHBondContact O-N 2.83Å; I109-W111 VanDerWaalsContact O-N 3.12Å; I109-F112 WeakPolarHBondContact O-CA 3.25Å; I109-F112 WeakPolarHBondContact O-CB 3.3Å; I109-F112 PolarHBondContact O-N 3.25Å; I109-D113 PolarHBondContact O-N 3.08Å; I109-F391 HydrophobicContact CB-CB 4.1Å; I109-F391 HydrophobicContact CB-CG 4.4Å; I109-F391 HydrophobicContact CD1-CB 4.2Å; I109-F391 HydrophobicContact CD1-CD1 3.49Å; I109-F391 VanDerWaalsContact CD1-CD1 3.49Å; I109-F391 HydrophobicContact CD1-CD2 3.71Å; I109-F391 HydrophobicContact CD1-CE1 3.61Å; I109-F391 HydrophobicContact CD1-CE2 3.83Å; I109-F391 HydrophobicContact CD1-CG 3.54Å; I109-F391 HydrophobicContact CD1-CZ 3.77Å; I109-F391 HydrophobicContact CG1-CB 4.16Å; I109-F391 HydrophobicContact CG1-CD1 3.83Å; I109-F391 HydrophobicContact CG1-CE1 4.34Å; I109-F391 HydrophobicContact CG1-CG 3.96Å; I109-F391 HydrophobicContact CG2-CB 4.46Å; I109-Y392 WeakPolarHBondContact CG2-OH 3.25Å; I109-Y862 HydrophobicContact CD1-CD1 3.54Å; I109-Y862 HydrophobicContact CD1-CD2 4.31Å; I109-Y862 HydrophobicContact CD1-CE1 3.88Å; I109-Y862 HydrophobicContact CD1-CG 3.78Å; I109-Y862 HydrophobicContact CG2-CD1 4.15Å; I109-Y862 HydrophobicContact CG2-CD2 4.41Å; I109-Y862 HydrophobicContact CG2-CE1 3.47Å; I109-Y862 VanDerWaalsContact CG2-CE1 3.47Å; I109-Y862 HydrophobicContact CG2-CE2 3.78Å; I109-Y862 WeakPolarHBondContact CG2-OH 3.48Å; I109-T865 HydrophobicContact CD1-CG2 4.36Å; I109-T865 HydrophobicContact CG1-CG2 4.32Å |
| 110 | A | 89.1 | Confident | 88.2 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -50.6 | -38 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D108 D113 P350 Y392 | D108-A110 VanDerWaalsContact C-N 3.31Å; D108-A110 PolarHBondContact O-N 2.86Å; A110-D113 PolarHBondContact O-N 3Å; A110-P350 HydrophobicContact CB-CG 3.96Å; A110-Y392 HydrophobicContact CB-CD1 4.11Å; A110-Y392 HydrophobicContact CB-CE1 4.08Å |
| 111 | W | 90.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.5 | -35.7 | 176.3 | -177.9 | 79.8 | 0 | 0 | 0 | 113.1 | Q107 D108 I109 D113 E114 Q115 L120 I317 | Q107-W111 HydrophobicContact CB-CB 4.42Å; Q107-W111 HydrophobicContact CB-CD2 4.03Å; Q107-W111 HydrophobicContact CB-CE3 3.61Å; Q107-W111 HydrophobicContact CB-CG 4.42Å; Q107-W111 HydrophobicContact CB-CZ3 4.18Å; Q107-W111 HydrophobicContact CG-CD2 3.9Å; Q107-W111 HydrophobicContact CG-CE3 3.67Å; Q107-W111 HydrophobicContact CG-CH2 4.32Å; Q107-W111 HydrophobicContact CG-CZ3 3.9Å; D108-W111 WeakPolarHBondContact O-CB 3.5Å; D108-W111 PolarHBondContact O-N 2.96Å; D108-W111 VanDerWaalsContact O-N 3.16Å; D108-W111 VanDerWaalsContact OD1-CB 3.29Å; D108-W111 WeakPolarHBondContact OD1-CB 3.29Å; I109-W111 PolarHBondContact O-N 2.83Å; I109-W111 VanDerWaalsContact O-N 3.12Å; W111-D113 PolarHBondContact O-N 3.07Å; W111-E114 PolarHBondContact O-N 2.87Å; W111-Q115 HydrophobicContact CD2-CG 3.81Å; W111-Q115 HydrophobicContact CE3-CG 4.15Å; W111-Q115 HydrophobicContact CG-CG 4.37Å; W111-Q115 HydrophobicContact CH2-CG 4.05Å; W111-Q115 HydrophobicContact CZ2-CG 3.65Å; W111-Q115 HydrophobicContact CZ3-CG 4.26Å; W111-Q115 VanDerWaalsContact O-CG 3.28Å; W111-Q115 WeakPolarHBondContact O-CG 3.34Å; W111-Q115 PolarHBondContact O-N 3.36Å; W111-Q115 VanDerWaalsContact O-N 3.14Å; W111-L120 HydrophobicContact CH2-CD1 3.95Å; W111-L120 HydrophobicContact CH2-CD2 3.45Å; W111-L120 VanDerWaalsContact CH2-CD2 3.45Å; W111-L120 HydrophobicContact CH2-CG 4.36Å; W111-L120 HydrophobicContact CZ2-CD2 4.17Å; W111-L120 HydrophobicContact CZ3-CD1 3.79Å; W111-L120 HydrophobicContact CZ3-CD2 4.19Å; W111-I317 HydrophobicContact CH2-CD1 4.28Å; W111-I317 HydrophobicContact CH2-CG2 4.13Å; W111-I317 HydrophobicContact CZ2-CD1 3.9Å; W111-I317 HydrophobicContact CZ2-CG1 3.95Å; W111-I317 HydrophobicContact CZ2-CG2 4.05Å |
| 112 | F | 89.1 | Confident | 87.4 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 10% | 0.101 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -30.1 | 172.8 | -77.9 | -76.1 | 0 | 0 | 0 | 112.2 | I104 Q107 D108 I109 E114 Q115 L120 | I104-F112 HydrophobicContact CG2-CE1 3.86Å; I104-F112 HydrophobicContact CG2-CZ 3.68Å; I104-F112 WeakPolarHBondContact O-CZ 3.36Å; Q107-F112 HydrophobicContact CB-CE2 4.17Å; D108-F112 WeakPolarHBondContact O-CD2 3.47Å; D108-F112 PolarHBondContact O-N 3.33Å; I109-F112 WeakPolarHBondContact O-CA 3.25Å; I109-F112 WeakPolarHBondContact O-CB 3.3Å; I109-F112 PolarHBondContact O-N 3.25Å; F112-E114 VanDerWaalsContact C-N 3.34Å; F112-Q115 PolarHBondContact O-N 3.16Å; F112-L120 HydrophobicContact CD1-CD1 4.3Å; F112-L120 HydrophobicContact CE1-CD1 4.14Å |
| 113 | D | 85.7 | Confident | 86.9 | Confident | 59 Ų | 59 | 33.2 Ų | 33.2 | 32% | 0.316 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.8 | -30.7 | 176.4 | -63.4 | -23.2 | 0 | 0 | 0 | 113 | I109 A110 W111 Y392 Y862 | I109-D113 PolarHBondContact O-N 3.08Å; A110-D113 PolarHBondContact O-N 3Å; W111-D113 PolarHBondContact O-N 3.07Å; D113-Y392 WeakPolarHBondContact OD2-CE1 3.42Å; D113-Y392 PolarHBondContact OD2-OH 3.08Å; D113-Y862 PolarHBondContact OD1-OH 2.93Å |
| 114 | E | 85.3 | Confident | 86.4 | Confident | 112 Ų | 112 | 32.7 Ų | 32.7 | 52% | 0.523 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -82.5 | -23.8 | 177.2 | -68.1 | -179.4 | 176.6 | 0 | 0 | 112.8 | W111 F112 | W111-E114 PolarHBondContact O-N 2.87Å; F112-E114 VanDerWaalsContact C-N 3.34Å |
| 115 | Q | 84 | Confident | 85.8 | Confident | 71 Ų | 71 | 34.8 Ų | 34.8 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -101.7 | 134 | -175.8 | -61.8 | -58.6 | -36.5 | 0 | 0 | 111.8 | W111 F112 L120 | W111-Q115 HydrophobicContact CD2-CG 3.81Å; W111-Q115 HydrophobicContact CE3-CG 4.15Å; W111-Q115 HydrophobicContact CG-CG 4.37Å; W111-Q115 HydrophobicContact CH2-CG 4.05Å; W111-Q115 HydrophobicContact CZ2-CG 3.65Å; W111-Q115 HydrophobicContact CZ3-CG 4.26Å; W111-Q115 VanDerWaalsContact O-CG 3.28Å; W111-Q115 WeakPolarHBondContact O-CG 3.34Å; W111-Q115 PolarHBondContact O-N 3.36Å; W111-Q115 VanDerWaalsContact O-N 3.14Å; F112-Q115 PolarHBondContact O-N 3.16Å; Q115-L120 HydrophobicContact CB-CD1 4.26Å; Q115-L120 HydrophobicContact CB-CD2 4.42Å; Q115-L120 HydrophobicContact CB-CG 4.38Å |
| 116 | S | 81.8 | Confident | 85.3 | Confident | 73 Ų | 73 | 39.6 Ų | 39.6 | 51% | 0.51 | 23% | 0.23 | S | C | . | . | trans | -74.3 | 133.5 | 171.5 | 77.4 | 0 | 0 | 0 | 0 | 110.7 | G118 S119 L120 | S116-G118 PolarHBondContact O-N 3.24Å; S116-G118 VanDerWaalsContact O-N 3.15Å; S116-S119 PolarHBondContact O-N 3.44Å; S116-S119 PolarHBondContact O-OG 3.3Å; S116-S119 WeakPolarHBondContact OG-CB 3.27Å; S116-S119 PolarHBondContact OG-N 3.26Å; S116-S119 PolarHBondContact OG-OG 3.5Å; S116-L120 PolarHBondContact O-N 3.39Å | ||
| 117 | A | 79.9 | Confident | 84.9 | Confident | 43 Ų | 43 | 37 Ų | 37 | 36% | 0.355 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -53.6 | -38.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S119 L120 I121 I858 | A117-S119 PolarHBondContact O-N 3.45Å; A117-L120 PolarHBondContact O-N 3.45Å; A117-I121 WeakPolarHBondContact O-CD1 3.47Å; A117-I121 VanDerWaalsContact O-CG1 3.29Å; A117-I121 WeakPolarHBondContact O-CG1 3.38Å; A117-I121 PolarHBondContact O-N 2.89Å; A117-I121 VanDerWaalsContact O-N 3.14Å; A117-I858 HydrophobicContact CB-CG2 3.66Å |
| 118 | G | 79.5 | Confident | 84.5 | Confident | 48 Ų | 48 | 36.9 Ų | 36.9 | 50% | 0.495 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.5 | -35.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S116 S122 | S116-G118 PolarHBondContact O-N 3.24Å; S116-G118 VanDerWaalsContact O-N 3.15Å; G118-S122 WeakPolarHBondContact O-CB 3.41Å; G118-S122 PolarHBondContact O-N 3.38Å; G118-S122 PolarHBondContact O-OG 3.04Å |
| 119 | S | 83.9 | Confident | 84.2 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.4 | -36.9 | 176 | 58.7 | 0 | 0 | 0 | 0 | 112 | S116 A117 S122 T123 | S116-S119 PolarHBondContact O-N 3.44Å; S116-S119 PolarHBondContact O-OG 3.3Å; S116-S119 WeakPolarHBondContact OG-CB 3.27Å; S116-S119 PolarHBondContact OG-N 3.26Å; S116-S119 PolarHBondContact OG-OG 3.5Å; A117-S119 PolarHBondContact O-N 3.45Å; S119-S122 WeakPolarHBondContact CA-OG 3.35Å; S119-S122 PolarHBondContact O-N 3.5Å; S119-S122 PolarHBondContact O-OG 2.77Å; S119-T123 WeakPolarHBondContact O-CB 3.44Å; S119-T123 PolarHBondContact O-N 3.2Å; S119-T123 PolarHBondContact O-OG1 3.37Å |
| 120 | L | 86.1 | Confident | 83.8 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 176.2 | -61.3 | 179.8 | 0 | 0 | 0 | 111.9 | W111 F112 Q115 S116 A117 T123 L124 I317 I858 | W111-L120 HydrophobicContact CH2-CD1 3.95Å; W111-L120 HydrophobicContact CH2-CD2 3.45Å; W111-L120 VanDerWaalsContact CH2-CD2 3.45Å; W111-L120 HydrophobicContact CH2-CG 4.36Å; W111-L120 HydrophobicContact CZ2-CD2 4.17Å; W111-L120 HydrophobicContact CZ3-CD1 3.79Å; W111-L120 HydrophobicContact CZ3-CD2 4.19Å; F112-L120 HydrophobicContact CD1-CD1 4.3Å; F112-L120 HydrophobicContact CE1-CD1 4.14Å; Q115-L120 HydrophobicContact CB-CD1 4.26Å; Q115-L120 HydrophobicContact CB-CD2 4.42Å; Q115-L120 HydrophobicContact CB-CG 4.38Å; S116-L120 PolarHBondContact O-N 3.39Å; A117-L120 PolarHBondContact O-N 3.45Å; L120-T123 PolarHBondContact O-N 3.28Å; L120-L124 PolarHBondContact O-N 3.08Å; L120-I317 HydrophobicContact CD2-CD1 4.46Å; L120-I858 HydrophobicContact CB-CD1 3.96Å; L120-I858 HydrophobicContact CB-CG2 4.48Å; L120-I858 HydrophobicContact CD1-CG2 3.99Å |
| 121 | I | 84.2 | Confident | 83.7 | Confident | 30 Ų | 30 | 40 Ų | 40 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 175.9 | -66.1 | 166.4 | 0 | 0 | 0 | 111.1 | A117 T123 L124 S125 M851 Q855 I858 | A117-I121 WeakPolarHBondContact O-CD1 3.47Å; A117-I121 VanDerWaalsContact O-CG1 3.29Å; A117-I121 WeakPolarHBondContact O-CG1 3.38Å; A117-I121 PolarHBondContact O-N 2.89Å; A117-I121 VanDerWaalsContact O-N 3.14Å; I121-T123 VanDerWaalsContact C-N 3.31Å; I121-T123 PolarHBondContact O-N 3.48Å; I121-L124 PolarHBondContact O-N 2.64Å; I121-S125 PolarHBondContact O-N 3.42Å; I121-S125 VanDerWaalsContact O-N 3.07Å; I121-S125 PolarHBondContact O-OG 2.87Å; I121-M851 HydrophobicContact CG2-CG 4.36Å; I121-M851 HydrophobicContact CG2-SD 3.73Å; I121-Q855 HydrophobicContact CD1-CB 3.8Å; I121-Q855 HydrophobicContact CD1-CG 3.74Å; I121-Q855 HydrophobicContact CG1-CB 4.48Å; I121-I858 HydrophobicContact CG1-CD1 4.14Å |
| 122 | S | 80.7 | Confident | 83.4 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67 | -34.6 | 176.4 | 77 | 0 | 0 | 0 | 0 | 111.6 | G118 S119 S125 H126 | G118-S122 WeakPolarHBondContact O-CB 3.41Å; G118-S122 PolarHBondContact O-N 3.38Å; G118-S122 PolarHBondContact O-OG 3.04Å; S119-S122 WeakPolarHBondContact CA-OG 3.35Å; S119-S122 PolarHBondContact O-N 3.5Å; S119-S122 PolarHBondContact O-OG 2.77Å; S122-S125 WeakPolarHBondContact CA-OG 3.49Å; S122-S125 PolarHBondContact O-N 3.22Å; S122-S125 PolarHBondContact O-OG 2.85Å; S122-H126 WeakPolarHBondContact O-CA 2.99Å; S122-H126 VanDerWaalsContact O-CB 3.31Å; S122-H126 WeakPolarHBondContact O-CB 2.99Å; S122-H126 PolarHBondContact O-N 3.37Å |
| 123 | T | 83.2 | Confident | 83.1 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -68 | -41.6 | 173.6 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | Y100 S119 L120 I121 S125 N127 I128 E313 I314 | Y100-T123 HydrophobicContact CE1-CG2 4.11Å; Y100-T123 HydrophobicContact CE2-CG2 4.36Å; Y100-T123 VanDerWaalsContact OH-CG2 3.31Å; Y100-T123 WeakPolarHBondContact OH-CG2 3.48Å; S119-T123 WeakPolarHBondContact O-CB 3.44Å; S119-T123 PolarHBondContact O-N 3.2Å; S119-T123 PolarHBondContact O-OG1 3.37Å; L120-T123 PolarHBondContact O-N 3.28Å; I121-T123 VanDerWaalsContact C-N 3.31Å; I121-T123 PolarHBondContact O-N 3.48Å; T123-S125 VanDerWaalsContact C-N 3.25Å; T123-S125 PolarHBondContact O-N 3.05Å; T123-N127 HydrophobicContact CG2-CB 3.99Å; T123-N127 WeakPolarHBondContact O-CB 3.35Å; T123-N127 PolarHBondContact O-N 3.38Å; T123-N127 PolarHBondContact OG1-ND2 2.85Å; T123-I128 PolarHBondContact O-N 2.57Å; T123-E313 PolarHBondContact OG1-OE1 3.05Å; T123-I314 HydrophobicContact CG2-CD1 4.05Å; T123-I314 HydrophobicContact CG2-CG1 3.54Å |
| 124 | L | 80.8 | Confident | 83 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -63.8 | -28.9 | 175.2 | -171.6 | 68 | 0 | 0 | 0 | 112.8 | Y100 L120 I121 I128 M851 A854 F877 | Y100-L124 HydrophobicContact CD1-CB 4.49Å; Y100-L124 HydrophobicContact CD1-CD1 3.68Å; Y100-L124 HydrophobicContact CE1-CB 4.16Å; Y100-L124 HydrophobicContact CE1-CD1 4.2Å; L120-L124 PolarHBondContact O-N 3.08Å; I121-L124 PolarHBondContact O-N 2.64Å; L124-I128 HydrophobicContact CD1-CD1 3.85Å; L124-I128 WeakPolarHBondContact O-CD1 3.37Å; L124-M851 HydrophobicContact CB-CE 3.94Å; L124-M851 HydrophobicContact CB-SD 4.25Å; L124-M851 HydrophobicContact CD2-CE 3.77Å; L124-M851 HydrophobicContact CD2-SD 3.81Å; L124-M851 HydrophobicContact CG-CE 3.65Å; L124-M851 HydrophobicContact CG-SD 4.22Å; L124-A854 HydrophobicContact CD2-CB 3.43Å; L124-A854 VanDerWaalsContact CD2-CB 3.43Å; L124-F877 HydrophobicContact CD1-CZ 4.46Å; L124-F877 HydrophobicContact CD2-CE2 4.23Å; L124-F877 HydrophobicContact CD2-CZ 4.44Å |
| 125 | S | 80.1 | Confident | 83 | Confident | 44 Ų | 44 | 36.2 Ų | 36.2 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -96.6 | -60.1 | -178.6 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | I121 S122 T123 N129 | I121-S125 PolarHBondContact O-N 3.42Å; I121-S125 VanDerWaalsContact O-N 3.07Å; I121-S125 PolarHBondContact O-OG 2.87Å; S122-S125 WeakPolarHBondContact CA-OG 3.49Å; S122-S125 PolarHBondContact O-N 3.22Å; S122-S125 PolarHBondContact O-OG 2.85Å; T123-S125 VanDerWaalsContact C-N 3.25Å; T123-S125 PolarHBondContact O-N 3.05Å; S125-N129 WeakPolarHBondContact O-CB 3.42Å; S125-N129 PolarHBondContact O-N 3.28Å; S125-N129 PolarHBondContact O-ND2 2.89Å |
| 126 | H | 80.9 | Confident | 82.9 | Confident | 114 Ų | 114 | 33 Ų | 33 | 53% | 0.528 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -81.9 | -47.5 | -171.5 | -173.3 | -79.5 | 0 | 0 | 0 | 112.9 | S122 I128 N129 N130 | S122-H126 WeakPolarHBondContact O-CA 2.99Å; S122-H126 VanDerWaalsContact O-CB 3.31Å; S122-H126 WeakPolarHBondContact O-CB 2.99Å; S122-H126 PolarHBondContact O-N 3.37Å; H126-I128 VanDerWaalsContact C-N 3.32Å; H126-I128 PolarHBondContact O-N 3.04Å; H126-N129 WeakPolarHBondContact O-CB 3.29Å; H126-N129 PolarHBondContact O-N 2.84Å; H126-N130 PolarHBondContact CE1-ND2 3.38Å; H126-N130 PolarHBondContact ND1-ND2 2.85Å; H126-N130 PolarHBondContact O-N 2.92Å |
| 127 | N | 84.1 | Confident | 83 | Confident | 22 Ų | 22 | 30.7 Ų | 30.7 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -65.4 | -37.5 | -177.9 | -82.5 | -19.1 | 0 | 0 | 0 | 111.6 | T123 N130 I131 S310 E313 I314 | T123-N127 HydrophobicContact CG2-CB 3.99Å; T123-N127 WeakPolarHBondContact O-CB 3.35Å; T123-N127 PolarHBondContact O-N 3.38Å; T123-N127 PolarHBondContact OG1-ND2 2.85Å; N127-N130 WeakPolarHBondContact O-CB 3.47Å; N127-N130 PolarHBondContact O-N 2.93Å; N127-I131 WeakPolarHBondContact O-CG1 3.07Å; N127-I131 PolarHBondContact O-N 3.49Å; N127-I131 VanDerWaalsContact O-N 3.14Å; N127-S310 WeakPolarHBondContact O-CB 3.18Å; N127-S310 PolarHBondContact OD1-OG 3.11Å; N127-E313 PolarHBondContact ND2-OE2 2.91Å; N127-I314 HydrophobicContact CB-CD1 4.04Å |
| 128 | I | 84.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.5 | -37.9 | 174.6 | -58.4 | 179.9 | 0 | 0 | 0 | 111.9 | I93 I96 H97 T123 L124 H126 N130 I131 Q132 I314 | I93-I128 HydrophobicContact CD1-CG2 3.72Å; I93-I128 HydrophobicContact CG2-CG2 3.71Å; I96-I128 HydrophobicContact CG2-CD1 4.37Å; H97-I128 WeakPolarHBondContact CD2-CD1 3.3Å; H97-I128 WeakPolarHBondContact NE2-CG2 3.46Å; T123-I128 PolarHBondContact O-N 2.57Å; L124-I128 HydrophobicContact CD1-CD1 3.85Å; L124-I128 WeakPolarHBondContact O-CD1 3.37Å; H126-I128 VanDerWaalsContact C-N 3.32Å; H126-I128 PolarHBondContact O-N 3.04Å; I128-N130 VanDerWaalsContact C-N 3.29Å; I128-N130 PolarHBondContact O-N 3.39Å; I128-I131 WeakPolarHBondContact O-CB 3.21Å; I128-I131 PolarHBondContact O-N 2.68Å; I128-I131 VanDerWaalsContact O-N 3.11Å; I128-Q132 PolarHBondContact O-N 2.87Å; I128-I314 HydrophobicContact CD1-CD1 4.3Å; I128-I314 HydrophobicContact CG1-CD1 3.45Å; I128-I314 VanDerWaalsContact CG1-CD1 3.45Å |
| 129 | N | 82.9 | Confident | 83.7 | Confident | 60 Ų | 60 | 28.3 Ų | 28.3 | 32% | 0.321 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.6 | -37.6 | 172.9 | -78.7 | -27.4 | 0 | 0 | 0 | 112.5 | S125 H126 I131 Q132 L133 | S125-N129 WeakPolarHBondContact O-CB 3.42Å; S125-N129 PolarHBondContact O-N 3.28Å; S125-N129 PolarHBondContact O-ND2 2.89Å; H126-N129 WeakPolarHBondContact O-CB 3.29Å; H126-N129 PolarHBondContact O-N 2.84Å; N129-I131 VanDerWaalsContact C-N 3.34Å; N129-Q132 WeakPolarHBondContact O-CB 3.22Å; N129-Q132 PolarHBondContact O-N 2.82Å; N129-L133 WeakPolarHBondContact O-CG 3.31Å; N129-L133 PolarHBondContact O-N 3.2Å |
| 130 | N | 84.6 | Confident | 84 | Confident | 30 Ų | 30 | 26.6 Ų | 26.6 | 16% | 0.16 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 173.4 | -73.6 | -20.4 | 0 | 0 | 0 | 112 | H126 N127 I128 Q132 L133 G134 S310 | H126-N130 PolarHBondContact CE1-ND2 3.38Å; H126-N130 PolarHBondContact ND1-ND2 2.85Å; H126-N130 PolarHBondContact O-N 2.92Å; N127-N130 WeakPolarHBondContact O-CB 3.47Å; N127-N130 PolarHBondContact O-N 2.93Å; I128-N130 VanDerWaalsContact C-N 3.29Å; I128-N130 PolarHBondContact O-N 3.39Å; N130-Q132 VanDerWaalsContact C-N 3.32Å; N130-L133 PolarHBondContact O-N 3Å; N130-G134 PolarHBondContact O-N 2.62Å; N130-S310 PolarHBondContact ND2-OG 2.91Å |
| 131 | I | 86.1 | Confident | 84 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 173.8 | -65.1 | 172.3 | 0 | 0 | 0 | 110.3 | L10 I93 I96 N127 I128 N129 L133 G134 M135 A311 I314 | L10-I131 HydrophobicContact CD1-CG2 4.26Å; I93-I131 HydrophobicContact CD1-CB 4.28Å; I93-I131 HydrophobicContact CD1-CG2 3.97Å; I96-I131 HydrophobicContact CD1-CG2 4.13Å; N127-I131 WeakPolarHBondContact O-CG1 3.07Å; N127-I131 PolarHBondContact O-N 3.49Å; N127-I131 VanDerWaalsContact O-N 3.14Å; I128-I131 WeakPolarHBondContact O-CB 3.21Å; I128-I131 PolarHBondContact O-N 2.68Å; I128-I131 VanDerWaalsContact O-N 3.11Å; N129-I131 VanDerWaalsContact C-N 3.34Å; I131-L133 PolarHBondContact O-N 2.94Å; I131-G134 PolarHBondContact O-N 2.99Å; I131-M135 HydrophobicContact CG2-CG 4.07Å; I131-M135 HydrophobicContact CG2-SD 3.41Å; I131-M135 WeakPolarHBondContact CG2-SD 3.42Å; I131-M135 WeakPolarHBondContact O-CB 3.34Å; I131-M135 WeakPolarHBondContact O-CG 3.38Å; I131-M135 PolarHBondContact O-N 3.14Å; I131-A311 HydrophobicContact CD1-CB 3.92Å; I131-A311 HydrophobicContact CG1-CB 4.21Å; I131-I314 HydrophobicContact CD1-CD1 3.79Å |
| 132 | Q | 85.4 | Confident | 84.2 | Confident | 56 Ų | 56 | 28.1 Ų | 28.1 | 26% | 0.262 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 176.5 | -179 | 172.3 | -9.7 | 0 | 0 | 111.9 | T89 I93 I128 N129 N130 G136 | T89-Q132 HydrophobicContact CG2-CB 4.39Å; T89-Q132 HydrophobicContact CG2-CG 3.69Å; I93-Q132 HydrophobicContact CD1-CB 3.68Å; I93-Q132 HydrophobicContact CG1-CB 3.85Å; I93-Q132 HydrophobicContact CG1-CG 4.15Å; I128-Q132 PolarHBondContact O-N 2.87Å; N129-Q132 WeakPolarHBondContact O-CB 3.22Å; N129-Q132 PolarHBondContact O-N 2.82Å; N130-Q132 VanDerWaalsContact C-N 3.32Å; Q132-G136 VanDerWaalsContact O-CA 3.32Å; Q132-G136 WeakPolarHBondContact O-CA 3.28Å; Q132-G136 PolarHBondContact O-N 3Å |
| 133 | L | 82.5 | Confident | 84.8 | Confident | 68 Ų | 68 | 27.6 Ų | 27.6 | 36% | 0.356 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -66.1 | -37.1 | 179.1 | -70.5 | 172.7 | 0 | 0 | 0 | 112.4 | N129 N130 I131 T138 Y303 | N129-L133 WeakPolarHBondContact O-CG 3.31Å; N129-L133 PolarHBondContact O-N 3.2Å; N130-L133 PolarHBondContact O-N 3Å; I131-L133 PolarHBondContact O-N 2.94Å; L133-T138 WeakPolarHBondContact O-CB 3.47Å; L133-T138 PolarHBondContact O-OG1 3.45Å; L133-Y303 HydrophobicContact CB-CD1 3.99Å; L133-Y303 HydrophobicContact CD1-CD1 4.28Å; L133-Y303 HydrophobicContact CD1-CE1 4.21Å |
| 134 | G | 83.5 | Confident | 85.2 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -75.9 | -33.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N130 I131 F304 | N130-G134 PolarHBondContact O-N 2.62Å; I131-G134 PolarHBondContact O-N 2.99Å; G134-F304 WeakPolarHBondContact O-CD1 3.45Å; G134-F304 WeakPolarHBondContact O-CE1 3.42Å |
| 135 | M | 84.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -88.2 | -14.4 | 177.6 | -67.9 | -178.2 | 78.5 | 0 | 0 | 113.9 | L10 F11 F88 T89 Q92 I131 | L10-M135 HydrophobicContact CD1-SD 4.41Å; L10-M135 HydrophobicContact CD2-CE 4.32Å; L10-M135 HydrophobicContact CD2-CG 3.25Å; L10-M135 HydrophobicContact CD2-SD 3.79Å; L10-M135 HydrophobicContact CG-CE 4.26Å; L10-M135 HydrophobicContact CG-CG 3.88Å; L10-M135 HydrophobicContact CG-SD 3.69Å; F11-M135 HydrophobicContact CD1-CE 3.73Å; F11-M135 HydrophobicContact CE1-CE 3.66Å; F11-M135 HydrophobicContact CG-CE 4.48Å; F11-M135 HydrophobicContact CZ-CE 4.37Å; F88-M135 HydrophobicContact CE1-CE 4Å; F88-M135 HydrophobicContact CZ-CE 3.84Å; T89-M135 PolarHBondContact OG1-O 3.38Å; Q92-M135 HydrophobicContact CB-CE 4.22Å; Q92-M135 HydrophobicContact CG-CE 4.19Å; I131-M135 HydrophobicContact CG2-CG 4.07Å; I131-M135 HydrophobicContact CG2-SD 3.41Å; I131-M135 WeakPolarHBondContact CG2-SD 3.42Å; I131-M135 WeakPolarHBondContact O-CB 3.34Å; I131-M135 WeakPolarHBondContact O-CG 3.38Å; I131-M135 PolarHBondContact O-N 3.14Å |
| 136 | G | 83.4 | Confident | 86.2 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -86.8 | -147.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.6 | T89 Q132 T138 L139 | T89-G136 WeakPolarHBondContact OG1-CA 3.22Å; Q132-G136 VanDerWaalsContact O-CA 3.32Å; Q132-G136 WeakPolarHBondContact O-CA 3.28Å; Q132-G136 PolarHBondContact O-N 3Å; G136-T138 PolarHBondContact O-N 3.26Å; G136-T138 VanDerWaalsContact O-N 3.11Å; G136-L139 WeakPolarHBondContact O-CB 3.05Å; G136-L139 PolarHBondContact O-N 2.9Å |
| 137 | S | 82.4 | Confident | 86.8 | Confident | 23 Ų | 23 | 25.3 Ų | 25.3 | 16% | 0.161 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.7 | -32.7 | -177.1 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | L139 T140 D141 | S137-L139 PolarHBondContact O-N 3.26Å; S137-T140 PolarHBondContact O-N 2.82Å; S137-T140 PolarHBondContact O-OG1 3.07Å; S137-D141 PolarHBondContact O-N 3.03Å |
| 138 | T | 86 | Confident | 87.2 | Confident | 9 Ų | 9 | 24.3 Ų | 24.3 | 6% | 0.055 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -54.4 | -36.4 | 176.1 | -42.2 | 0 | 0 | 0 | 0 | 112.8 | L133 G136 F142 Y303 | L133-T138 WeakPolarHBondContact O-CB 3.47Å; L133-T138 PolarHBondContact O-OG1 3.45Å; G136-T138 PolarHBondContact O-N 3.26Å; G136-T138 VanDerWaalsContact O-N 3.11Å; T138-F142 VanDerWaalsContact O-CB 3.23Å; T138-F142 WeakPolarHBondContact O-CB 3.46Å; T138-F142 PolarHBondContact O-N 2.82Å; T138-Y303 HydrophobicContact CG2-CD2 3.8Å; T138-Y303 HydrophobicContact CG2-CG 4.12Å |
| 139 | L | 88.5 | Confident | 87.6 | Confident | 32 Ų | 32 | 26 Ų | 26 | 17% | 0.168 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.7 | -49.2 | 176 | 179.7 | 61.4 | 0 | 0 | 0 | 111 | F11 L22 G136 S137 F142 M143 F304 | F11-L139 HydrophobicContact CZ-CD2 4.39Å; L22-L139 HydrophobicContact CD1-CD2 4.03Å; G136-L139 WeakPolarHBondContact O-CB 3.05Å; G136-L139 PolarHBondContact O-N 2.9Å; S137-L139 PolarHBondContact O-N 3.26Å; L139-F142 PolarHBondContact O-N 3.31Å; L139-M143 WeakPolarHBondContact O-CG 3.33Å; L139-M143 PolarHBondContact O-N 3.32Å; L139-F304 HydrophobicContact CB-CE1 4Å; L139-F304 HydrophobicContact CB-CZ 4.43Å; L139-F304 HydrophobicContact CD1-CE1 3.77Å; L139-F304 HydrophobicContact CD1-CZ 4.01Å; L139-F304 HydrophobicContact CG-CE1 4.5Å |
| 140 | T | 89.2 | Confident | 88 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.6 | -37 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | A25 A29 Q81 I85 S137 M143 K144 | A25-T140 HydrophobicContact CB-CG2 4.28Å; A29-T140 HydrophobicContact CB-CG2 4.34Å; A29-T140 WeakPolarHBondContact CB-O 3.42Å; Q81-T140 HydrophobicContact CG-CG2 4.06Å; Q81-T140 VanDerWaalsContact NE2-CB 3.31Å; Q81-T140 PolarHBondContact NE2-OG1 3.47Å; Q81-T140 VanDerWaalsContact NE2-OG1 3.14Å; I85-T140 HydrophobicContact CB-CG2 3.89Å; I85-T140 HydrophobicContact CD1-CG2 3.9Å; I85-T140 HydrophobicContact CG1-CG2 3.75Å; I85-T140 HydrophobicContact CG2-CG2 4.3Å; S137-T140 PolarHBondContact O-N 2.82Å; S137-T140 PolarHBondContact O-OG1 3.07Å; T140-M143 PolarHBondContact O-N 2.76Å; T140-K144 VanDerWaalsContact O-CB 3.27Å; T140-K144 WeakPolarHBondContact O-CB 3.14Å; T140-K144 PolarHBondContact O-N 3.22Å |
| 141 | D | 86.1 | Confident | 88.4 | Confident | 26 Ų | 26 | 27.3 Ų | 27.3 | 14% | 0.139 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.7 | -38.8 | 176.4 | -73.9 | -33.2 | 0 | 0 | 0 | 112 | S137 K144 N145 | S137-D141 PolarHBondContact O-N 3.03Å; D141-K144 PolarHBondContact O-N 2.9Å; D141-K144 IonicContact OD1-NZ 2.9Å; D141-N145 VanDerWaalsContact O-CB 3.31Å; D141-N145 WeakPolarHBondContact O-CB 2.95Å; D141-N145 VanDerWaalsContact O-CG 3.25Å; D141-N145 PolarHBondContact O-N 2.87Å; D141-N145 PolarHBondContact O-ND2 3.33Å |
| 142 | F | 90.4 | Very high | 88.7 | Confident | 40 Ų | 40 | 27.4 Ų | 27.4 | 18% | 0.175 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 172.7 | 175.3 | -109.7 | 0 | 0 | 0 | 111.1 | T138 L139 L146 A297 F304 | T138-F142 VanDerWaalsContact O-CB 3.23Å; T138-F142 WeakPolarHBondContact O-CB 3.46Å; T138-F142 PolarHBondContact O-N 2.82Å; L139-F142 PolarHBondContact O-N 3.31Å; F142-L146 HydrophobicContact CE1-CD2 4.39Å; F142-L146 HydrophobicContact CZ-CD2 4.28Å; F142-L146 WeakPolarHBondContact O-CB 3.48Å; F142-L146 PolarHBondContact O-N 2.89Å; F142-A297 HydrophobicContact CD2-CB 3.94Å; F142-A297 WeakPolarHBondContact CD2-O 3.25Å; F142-A297 HydrophobicContact CE2-CB 4.12Å; F142-F304 HydrophobicContact CB-CE2 4.03Å; F142-F304 HydrophobicContact CB-CZ 3.85Å; F142-F304 AromaticContact CD1-CE2 3.83Å; F142-F304 HydrophobicContact CD1-CE2 3.83Å; F142-F304 HydrophobicContact CD1-CZ 4.06Å; F142-F304 HydrophobicContact CD2-CE2 4.32Å; F142-F304 HydrophobicContact CE1-CE2 4.42Å; F142-F304 AromaticContact CG-CE2 3.79Å; F142-F304 HydrophobicContact CG-CE2 3.79Å; F142-F304 HydrophobicContact CG-CZ 4.06Å |
| 143 | M | 91.7 | Very high | 89 | Confident | 47 Ų | 47 | 26.9 Ų | 26.9 | 23% | 0.232 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 175.9 | -69.3 | -67.9 | 106.6 | 0 | 0 | 112.5 | V26 A29 T30 L139 T140 L146 S147 | V26-M143 HydrophobicContact CG1-CG 4.19Å; V26-M143 HydrophobicContact CG1-SD 4.48Å; A29-M143 HydrophobicContact CB-CB 4.41Å; T30-M143 HydrophobicContact CG2-CB 4.43Å; L139-M143 WeakPolarHBondContact O-CG 3.33Å; L139-M143 PolarHBondContact O-N 3.32Å; T140-M143 PolarHBondContact O-N 2.76Å; M143-L146 HydrophobicContact CE-CD2 4.4Å; M143-S147 WeakPolarHBondContact O-CB 3.42Å; M143-S147 PolarHBondContact O-N 3.19Å |
| 144 | K | 91.7 | Very high | 89.5 | Confident | 21 Ų | 21 | 28.6 Ų | 28.6 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -52.4 | 177 | -175.6 | -179.7 | 70.6 | 173.5 | 0 | 111.4 | A29 G33 T140 D141 S147 G148 Y899 E903 | A29-K144 HydrophobicContact CB-CB 4.38Å; A29-K144 WeakPolarHBondContact O-CA 3.22Å; G33-K144 WeakPolarHBondContact CA-O 3.26Å; T140-K144 VanDerWaalsContact O-CB 3.27Å; T140-K144 WeakPolarHBondContact O-CB 3.14Å; T140-K144 PolarHBondContact O-N 3.22Å; D141-K144 PolarHBondContact O-N 2.9Å; D141-K144 IonicContact OD1-NZ 2.9Å; K144-S147 PolarHBondContact O-N 3.21Å; K144-G148 PolarHBondContact O-N 3.35Å; K144-Y899 PolarHBondContact NZ-OH 3.14Å; K144-E903 IonicContact NZ-OE1 2.64Å; K144-E903 PolarHBondContact NZ-OE1 3.04Å |
| 145 | N | 91.1 | Very high | 89.9 | Confident | 15 Ų | 15 | 29.3 Ų | 29.3 | 8% | 0.08 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 179.8 | -72.4 | -43.4 | 0 | 0 | 0 | 111.5 | D141 G148 F149 F293 A297 | D141-N145 VanDerWaalsContact O-CB 3.31Å; D141-N145 WeakPolarHBondContact O-CB 2.95Å; D141-N145 VanDerWaalsContact O-CG 3.25Å; D141-N145 PolarHBondContact O-N 2.87Å; D141-N145 PolarHBondContact O-ND2 3.33Å; N145-G148 PolarHBondContact O-N 3.39Å; N145-F149 WeakPolarHBondContact O-CB 3.24Å; N145-F149 PolarHBondContact O-N 2.68Å; N145-F293 HydrophobicContact CB-CB 4.13Å; N145-F293 WeakPolarHBondContact O-CB 3.25Å; N145-F293 WeakPolarHBondContact OD1-CD1 3.42Å; N145-A297 HydrophobicContact CB-CB 4.06Å |
| 146 | L | 91.8 | Very high | 90.2 | Very high | 57 Ų | 57 | 29.7 Ų | 29.7 | 30% | 0.298 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.7 | -175.1 | 64.5 | 0 | 0 | 0 | 111.6 | F142 M143 F149 I150 | F142-L146 HydrophobicContact CE1-CD2 4.39Å; F142-L146 HydrophobicContact CZ-CD2 4.28Å; F142-L146 WeakPolarHBondContact O-CB 3.48Å; F142-L146 PolarHBondContact O-N 2.89Å; M143-L146 HydrophobicContact CE-CD2 4.4Å; L146-F149 PolarHBondContact O-N 3.2Å; L146-I150 HydrophobicContact CD1-CD1 4.1Å; L146-I150 HydrophobicContact CD1-CG1 4.48Å; L146-I150 HydrophobicContact CG-CD1 3.89Å; L146-I150 VanDerWaalsContact O-CG1 3.3Å; L146-I150 WeakPolarHBondContact O-CG1 3.5Å; L146-I150 PolarHBondContact O-N 3.4Å |
| 147 | S | 93.5 | Very high | 90.7 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -47.4 | 176.5 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | T30 M143 K144 F149 I150 V151 | T30-S147 PolarHBondContact O-OG 2.92Å; M143-S147 WeakPolarHBondContact O-CB 3.42Å; M143-S147 PolarHBondContact O-N 3.19Å; K144-S147 PolarHBondContact O-N 3.21Å; S147-F149 VanDerWaalsContact C-N 3.27Å; S147-F149 PolarHBondContact O-N 2.71Å; S147-I150 PolarHBondContact O-N 3.17Å; S147-V151 WeakPolarHBondContact O-CB 3.44Å; S147-V151 VanDerWaalsContact O-CG2 3.29Å; S147-V151 WeakPolarHBondContact O-CG2 3.36Å; S147-V151 PolarHBondContact O-N 3.39Å |
| 148 | G | 92.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.6 | -37.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | G33 P37 K144 N145 G152 | G33-G148 WeakPolarHBondContact O-CA 3.16Å; P37-G148 VanDerWaalsContact CG-O 3.26Å; P37-G148 WeakPolarHBondContact CG-O 3.35Å; K144-G148 PolarHBondContact O-N 3.35Å; N145-G148 PolarHBondContact O-N 3.39Å; G148-G152 PolarHBondContact O-N 3.39Å |
| 149 | F | 91.3 | Very high | 91.3 | Very high | 36 Ų | 36 | 37.5 Ų | 37.5 | 16% | 0.158 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.2 | -50.2 | 174.1 | 176.8 | -107.8 | 0 | 0 | 0 | 112.5 | N145 L146 S147 G152 I153 L171 G290 F293 L294 | N145-F149 WeakPolarHBondContact O-CB 3.24Å; N145-F149 PolarHBondContact O-N 2.68Å; L146-F149 PolarHBondContact O-N 3.2Å; S147-F149 VanDerWaalsContact C-N 3.27Å; S147-F149 PolarHBondContact O-N 2.71Å; F149-G152 PolarHBondContact O-N 2.89Å; F149-I153 HydrophobicContact CD1-CD1 4.16Å; F149-I153 HydrophobicContact CD2-CD1 4.33Å; F149-I153 HydrophobicContact CE1-CD1 3.59Å; F149-I153 HydrophobicContact CE2-CD1 3.78Å; F149-I153 HydrophobicContact CE2-CG1 4.48Å; F149-I153 HydrophobicContact CZ-CD1 3.39Å; F149-I153 WeakPolarHBondContact O-CG1 3.34Å; F149-I153 PolarHBondContact O-N 2.6Å; F149-L171 HydrophobicContact CE2-CD1 4.05Å; F149-L171 HydrophobicContact CE2-CD2 4.25Å; F149-L171 HydrophobicContact CZ-CD1 4.1Å; F149-G290 WeakPolarHBondContact CD2-O 3.34Å; F149-F293 HydrophobicContact CB-CB 4.32Å; F149-L294 HydrophobicContact CD2-CB 4.21Å; F149-L294 HydrophobicContact CE1-CD1 4.44Å; F149-L294 HydrophobicContact CE2-CB 4.28Å; F149-L294 HydrophobicContact CE2-CD2 4.14Å; F149-L294 HydrophobicContact CZ-CD2 4.04Å |
| 150 | I | 92.5 | Very high | 91.3 | Very high | 82 Ų | 82 | 36.2 Ų | 36.2 | 42% | 0.421 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.3 | -48.6 | -178.4 | -67.3 | 169.1 | 0 | 0 | 0 | 110.8 | L146 S147 G152 I153 I154 | L146-I150 HydrophobicContact CD1-CD1 4.1Å; L146-I150 HydrophobicContact CD1-CG1 4.48Å; L146-I150 HydrophobicContact CG-CD1 3.89Å; L146-I150 VanDerWaalsContact O-CG1 3.3Å; L146-I150 WeakPolarHBondContact O-CG1 3.5Å; L146-I150 PolarHBondContact O-N 3.4Å; S147-I150 PolarHBondContact O-N 3.17Å; I150-G152 VanDerWaalsContact C-N 3.3Å; I150-G152 PolarHBondContact O-N 3.38Å; I150-I153 PolarHBondContact O-N 3.15Å; I150-I154 HydrophobicContact CG2-CD1 3.82Å; I150-I154 HydrophobicContact CG2-CG1 4.48Å; I150-I154 WeakPolarHBondContact O-CG1 3.23Å; I150-I154 PolarHBondContact O-N 2.93Å |
| 151 | V | 93.4 | Very high | 91.4 | Very high | 35 Ų | 35 | 43 Ų | 43 | 21% | 0.212 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 178.9 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | A34 P37 S147 I153 I154 I155 | A34-V151 HydrophobicContact CB-CB 4.37Å; A34-V151 HydrophobicContact CB-CG1 4.14Å; A34-V151 HydrophobicContact CB-CG2 3.97Å; P37-V151 HydrophobicContact CB-CB 4.46Å; P37-V151 HydrophobicContact CB-CG1 3.91Å; P37-V151 HydrophobicContact CG-CB 4.25Å; P37-V151 HydrophobicContact CG-CG1 4.19Å; S147-V151 WeakPolarHBondContact O-CB 3.44Å; S147-V151 VanDerWaalsContact O-CG2 3.29Å; S147-V151 WeakPolarHBondContact O-CG2 3.36Å; S147-V151 PolarHBondContact O-N 3.39Å; V151-I153 PolarHBondContact O-N 3.11Å; V151-I154 PolarHBondContact O-N 3.04Å; V151-I155 HydrophobicContact CG1-CD1 3.8Å; V151-I155 HydrophobicContact CG1-CG1 4.33Å; V151-I155 WeakPolarHBondContact O-CB 3.36Å; V151-I155 WeakPolarHBondContact O-CG1 3.46Å; V151-I155 PolarHBondContact O-N 3.39Å |
| 152 | G | 91.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -42.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G148 F149 I150 N156 | G148-G152 PolarHBondContact O-N 3.39Å; F149-G152 PolarHBondContact O-N 2.89Å; I150-G152 VanDerWaalsContact C-N 3.3Å; I150-G152 PolarHBondContact O-N 3.38Å; G152-N156 WeakPolarHBondContact O-CB 3.16Å; G152-N156 PolarHBondContact O-N 3.2Å; G152-N156 PolarHBondContact O-OD1 2.98Å |
| 153 | I | 91 | Very high | 91.7 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 23% | 0.226 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.1 | -47 | 174.9 | -70.7 | 174.5 | 0 | 0 | 0 | 111 | F149 I150 V151 I155 N156 F157 L171 | F149-I153 HydrophobicContact CD1-CD1 4.16Å; F149-I153 HydrophobicContact CD2-CD1 4.33Å; F149-I153 HydrophobicContact CE1-CD1 3.59Å; F149-I153 HydrophobicContact CE2-CD1 3.78Å; F149-I153 HydrophobicContact CE2-CG1 4.48Å; F149-I153 HydrophobicContact CZ-CD1 3.39Å; F149-I153 WeakPolarHBondContact O-CG1 3.34Å; F149-I153 PolarHBondContact O-N 2.6Å; I150-I153 PolarHBondContact O-N 3.15Å; V151-I153 PolarHBondContact O-N 3.11Å; I153-I155 VanDerWaalsContact C-N 3.32Å; I153-I155 PolarHBondContact O-N 3.48Å; I153-N156 PolarHBondContact O-N 2.97Å; I153-N156 VanDerWaalsContact O-N 3.14Å; I153-F157 HydrophobicContact CG2-CD2 3.68Å; I153-F157 HydrophobicContact CG2-CE2 3.71Å; I153-F157 WeakPolarHBondContact O-CD2 3.38Å; I153-F157 PolarHBondContact O-N 3.35Å; I153-L171 HydrophobicContact CD1-CD1 4.21Å |
| 154 | I | 93.4 | Very high | 91.7 | Very high | 105 Ų | 105 | 40.4 Ų | 40.4 | 54% | 0.538 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.3 | -47.5 | 179 | -67.5 | 166.8 | 0 | 0 | 0 | 110.3 | I150 V151 N156 F157 A158 | I150-I154 HydrophobicContact CG2-CD1 3.82Å; I150-I154 HydrophobicContact CG2-CG1 4.48Å; I150-I154 WeakPolarHBondContact O-CG1 3.23Å; I150-I154 PolarHBondContact O-N 2.93Å; V151-I154 PolarHBondContact O-N 3.04Å; I154-N156 VanDerWaalsContact C-N 3.33Å; I154-N156 PolarHBondContact O-N 2.98Å; I154-F157 PolarHBondContact O-N 3.02Å; I154-A158 WeakPolarHBondContact O-CB 3.39Å; I154-A158 PolarHBondContact O-N 2.93Å |
| 155 | I | 92 | Very high | 91.7 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 9% | 0.087 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 177.5 | -74.6 | 174.4 | 0 | 0 | 0 | 111.1 | P37 L41 V151 I153 F157 A158 V159 T282 N286 | P37-I155 HydrophobicContact CB-CD1 3.56Å; L41-I155 HydrophobicContact CD1-CD1 3.68Å; L41-I155 HydrophobicContact CD1-CG1 4.01Å; L41-I155 HydrophobicContact CD1-CG2 4.1Å; L41-I155 HydrophobicContact CD2-CG2 3.7Å; L41-I155 HydrophobicContact CG-CD1 4.14Å; L41-I155 HydrophobicContact CG-CG2 3.72Å; V151-I155 HydrophobicContact CG1-CD1 3.8Å; V151-I155 HydrophobicContact CG1-CG1 4.33Å; V151-I155 WeakPolarHBondContact O-CB 3.36Å; V151-I155 WeakPolarHBondContact O-CG1 3.46Å; V151-I155 PolarHBondContact O-N 3.39Å; I153-I155 VanDerWaalsContact C-N 3.32Å; I153-I155 PolarHBondContact O-N 3.48Å; I155-F157 PolarHBondContact O-N 3Å; I155-A158 PolarHBondContact O-N 3.24Å; I155-V159 HydrophobicContact CG2-CG2 4.16Å; I155-V159 WeakPolarHBondContact O-CB 3.24Å; I155-V159 VanDerWaalsContact O-CG2 3.3Å; I155-V159 WeakPolarHBondContact O-CG2 3.3Å; I155-V159 PolarHBondContact O-N 3.42Å; I155-T282 HydrophobicContact CG2-CG2 4.29Å; I155-N286 WeakPolarHBondContact CG2-ND2 3.44Å |
| 156 | N | 91.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 178.5 | -72.3 | -4.7 | 0 | 0 | 0 | 112.2 | G152 I153 I154 A158 V159 G160 A164 I283 N286 | G152-N156 WeakPolarHBondContact O-CB 3.16Å; G152-N156 PolarHBondContact O-N 3.2Å; G152-N156 PolarHBondContact O-OD1 2.98Å; I153-N156 PolarHBondContact O-N 2.97Å; I153-N156 VanDerWaalsContact O-N 3.14Å; I154-N156 VanDerWaalsContact C-N 3.33Å; I154-N156 PolarHBondContact O-N 2.98Å; N156-A158 VanDerWaalsContact C-N 3.32Å; N156-A158 PolarHBondContact O-N 2.87Å; N156-V159 PolarHBondContact O-N 3.34Å; N156-G160 CarbonylContact O-C 3.54Å; N156-G160 PolarHBondContact O-N 3.44Å; N156-A164 HydrophobicContact CB-CB 3.97Å; N156-I283 HydrophobicContact CB-CG1 4.18Å; N156-I283 WeakPolarHBondContact OD1-CA 3.15Å; N156-N286 WeakPolarHBondContact OD1-CB 3.45Å; N156-N286 PolarHBondContact OD1-ND2 3.46Å |
| 157 | F | 93.2 | Very high | 91.5 | Very high | 83 Ų | 83 | 41.8 Ų | 41.8 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.3 | -35.4 | 175.8 | -85.1 | -78 | 0 | 0 | 0 | 112.6 | I153 I154 I155 W161 A164 L165 | I153-F157 HydrophobicContact CG2-CD2 3.68Å; I153-F157 HydrophobicContact CG2-CE2 3.71Å; I153-F157 WeakPolarHBondContact O-CD2 3.38Å; I153-F157 PolarHBondContact O-N 3.35Å; I154-F157 PolarHBondContact O-N 3.02Å; I155-F157 PolarHBondContact O-N 3Å; F157-W161 HydrophobicContact CD1-CB 4.18Å; F157-A164 HydrophobicContact CD1-CB 4.15Å; F157-A164 HydrophobicContact CD2-CB 4.39Å; F157-A164 HydrophobicContact CE1-CB 4.35Å; F157-A164 HydrophobicContact CG-CB 4.17Å; F157-L165 HydrophobicContact CE1-CD2 4.04Å; F157-L165 HydrophobicContact CE1-CG 4.18Å; F157-L165 HydrophobicContact CZ-CD2 4.21Å |
| 158 | A | 92.2 | Very high | 91.3 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 73% | 0.727 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -70.3 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I154 I155 N156 | I154-A158 WeakPolarHBondContact O-CB 3.39Å; I154-A158 PolarHBondContact O-N 2.93Å; I155-A158 PolarHBondContact O-N 3.24Å; N156-A158 VanDerWaalsContact C-N 3.32Å; N156-A158 PolarHBondContact O-N 2.87Å |
| 159 | V | 88.6 | Confident | 91.1 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -77.4 | -39 | -179.4 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | L41 I155 N156 A279 I283 | L41-V159 HydrophobicContact CD2-CG2 3.65Å; I155-V159 HydrophobicContact CG2-CG2 4.16Å; I155-V159 WeakPolarHBondContact O-CB 3.24Å; I155-V159 VanDerWaalsContact O-CG2 3.3Å; I155-V159 WeakPolarHBondContact O-CG2 3.3Å; I155-V159 PolarHBondContact O-N 3.42Å; N156-V159 PolarHBondContact O-N 3.34Å; V159-A279 HydrophobicContact CG1-CB 3.43Å; V159-A279 VanDerWaalsContact CG1-CB 3.43Å; V159-I283 HydrophobicContact CG1-CD1 4.37Å |
| 160 | G | 88.6 | Confident | 90.8 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -170.1 | 88.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N156 K162 L163 A164 | N156-G160 CarbonylContact O-C 3.54Å; N156-G160 PolarHBondContact O-N 3.44Å; G160-K162 VanDerWaalsContact C-N 3.31Å; G160-K162 PolarHBondContact O-N 2.94Å; G160-L163 PolarHBondContact O-N 2.79Å; G160-A164 VanDerWaalsContact O-CB 3.32Å; G160-A164 WeakPolarHBondContact O-CB 3.34Å; G160-A164 PolarHBondContact O-N 3.44Å |
| 161 | W | 91.6 | Very high | 90.3 | Very high | 144 Ų | 144 | 41.9 Ų | 41.9 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.8 | -33.3 | -172.2 | 74.3 | -91.9 | 0 | 0 | 0 | 114.5 | F157 L165 | F157-W161 HydrophobicContact CD1-CB 4.18Å; W161-L165 HydrophobicContact CE3-CD1 3.52Å; W161-L165 HydrophobicContact CE3-CG 4.39Å; W161-L165 HydrophobicContact CZ3-CD1 3.53Å; W161-L165 WeakPolarHBondContact O-CG 3.43Å; W161-L165 PolarHBondContact O-N 3.24Å |
| 162 | K | 92.9 | Very high | 89.9 | Confident | 55 Ų | 55 | 44.5 Ų | 44.5 | 24% | 0.239 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.1 | -45.5 | -179.8 | -68.2 | -179.8 | -179.6 | 167.1 | 0 | 112.1 | G160 L165 V166 L269 E273 | G160-K162 VanDerWaalsContact C-N 3.31Å; G160-K162 PolarHBondContact O-N 2.94Å; K162-L165 PolarHBondContact O-N 3.31Å; K162-V166 PolarHBondContact O-N 3.02Å; K162-L269 HydrophobicContact CB-CD1 4.26Å; K162-L269 HydrophobicContact CB-CD2 4.43Å; K162-L269 HydrophobicContact CD-CD2 4.19Å; K162-E273 VanDerWaalsContact CD-OE2 3.23Å; K162-E273 WeakPolarHBondContact CD-OE2 3.22Å; K162-E273 WeakPolarHBondContact CE-OE2 3.26Å; K162-E273 IonicContact NZ-OE1 2.61Å; K162-E273 PolarHBondContact NZ-OE1 2.92Å; K162-E273 IonicContact NZ-OE2 2.68Å; K162-E273 PolarHBondContact NZ-OE2 3.04Å |
| 163 | L | 90.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72 | -34.5 | 176.5 | -172.8 | 64.4 | 0 | 0 | 0 | 111.1 | G160 L165 V166 A167 L262 Y265 L269 Y275 I280 I283 | G160-L163 PolarHBondContact O-N 2.79Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-L165 PolarHBondContact O-N 2.74Å; L163-V166 PolarHBondContact O-N 3.16Å; L163-A167 WeakPolarHBondContact O-CB 3.37Å; L163-A167 PolarHBondContact O-N 3.36Å; L163-L262 HydrophobicContact CD1-CD2 4.07Å; L163-L262 HydrophobicContact CG-CD2 4.5Å; L163-Y265 HydrophobicContact CD1-CD1 3.79Å; L163-L269 HydrophobicContact CB-CD1 3.93Å; L163-L269 HydrophobicContact CD1-CD1 4.49Å; L163-Y275 HydrophobicContact CB-CE1 4.46Å; L163-I280 HydrophobicContact CD2-CB 4.17Å; L163-I280 HydrophobicContact CD2-CG1 3.81Å; L163-I280 HydrophobicContact CD2-CG2 4.18Å; L163-I283 HydrophobicContact CB-CD1 3.93Å; L163-I283 HydrophobicContact CD2-CB 4.12Å; L163-I283 HydrophobicContact CD2-CD1 3.9Å; L163-I283 HydrophobicContact CD2-CG2 4.13Å; L163-I283 HydrophobicContact CG-CD1 4.17Å; L163-I283 HydrophobicContact CG-CG2 3.99Å |
| 164 | A | 91.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | N156 F157 G160 A167 C168 | N156-A164 HydrophobicContact CB-CB 3.97Å; F157-A164 HydrophobicContact CD1-CB 4.15Å; F157-A164 HydrophobicContact CD2-CB 4.39Å; F157-A164 HydrophobicContact CE1-CB 4.35Å; F157-A164 HydrophobicContact CG-CB 4.17Å; G160-A164 VanDerWaalsContact O-CB 3.32Å; G160-A164 WeakPolarHBondContact O-CB 3.34Å; G160-A164 PolarHBondContact O-N 3.44Å; A164-A167 WeakPolarHBondContact O-CB 3.48Å; A164-A167 PolarHBondContact O-N 2.85Å; A164-C168 WeakPolarHBondContact O-CB 3.49Å; A164-C168 PolarHBondContact O-N 3.13Å; A164-C168 PolarHBondContact O-SG 3.49Å; A164-C168 VanDerWaalsContact O-SG 3.38Å |
| 165 | L | 91.4 | Very high | 88.5 | Confident | 85 Ų | 85 | 43.9 Ų | 43.9 | 45% | 0.445 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 174.2 | -78.6 | 172.1 | 0 | 0 | 0 | 112.4 | F157 W161 K162 L163 A167 C168 A169 | F157-L165 HydrophobicContact CE1-CD2 4.04Å; F157-L165 HydrophobicContact CE1-CG 4.18Å; F157-L165 HydrophobicContact CZ-CD2 4.21Å; W161-L165 HydrophobicContact CE3-CD1 3.52Å; W161-L165 HydrophobicContact CE3-CG 4.39Å; W161-L165 HydrophobicContact CZ3-CD1 3.53Å; W161-L165 WeakPolarHBondContact O-CG 3.43Å; W161-L165 PolarHBondContact O-N 3.24Å; K162-L165 PolarHBondContact O-N 3.31Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-L165 PolarHBondContact O-N 2.74Å; L165-A167 VanDerWaalsContact C-N 3.34Å; L165-C168 PolarHBondContact O-N 3.45Å; L165-A169 PolarHBondContact O-N 3.17Å |
| 166 | V | 91.1 | Very high | 88.1 | Confident | 36 Ų | 36 | 46.2 Ų | 46.2 | 22% | 0.218 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | K162 L163 A169 I170 I261 L262 Y265 | K162-V166 PolarHBondContact O-N 3.02Å; L163-V166 PolarHBondContact O-N 3.16Å; V166-A169 WeakPolarHBondContact O-CB 3.45Å; V166-A169 PolarHBondContact O-N 3.26Å; V166-I170 WeakPolarHBondContact O-CG1 3.37Å; V166-I170 PolarHBondContact O-N 3.12Å; V166-I261 HydrophobicContact CG1-CG2 4.04Å; V166-L262 HydrophobicContact CG1-CD2 4.3Å; V166-Y265 HydrophobicContact CB-CD1 4.34Å; V166-Y265 HydrophobicContact CG2-CD1 3.65Å; V166-Y265 HydrophobicContact CG2-CE1 3.55Å; V166-Y265 HydrophobicContact CG2-CG 4.32Å |
| 167 | A | 88.5 | Confident | 87.7 | Confident | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L163 A164 L165 A169 I170 L262 I283 V287 | L163-A167 WeakPolarHBondContact O-CB 3.37Å; L163-A167 PolarHBondContact O-N 3.36Å; A164-A167 WeakPolarHBondContact O-CB 3.48Å; A164-A167 PolarHBondContact O-N 2.85Å; L165-A167 VanDerWaalsContact C-N 3.34Å; A167-A169 VanDerWaalsContact C-N 3.3Å; A167-A169 PolarHBondContact O-N 2.84Å; A167-I170 WeakPolarHBondContact O-CB 3.37Å; A167-I170 PolarHBondContact O-N 3.05Å; A167-I170 VanDerWaalsContact O-N 3.15Å; A167-L262 HydrophobicContact CB-CD2 3.84Å; A167-I283 HydrophobicContact CB-CG2 4.16Å; A167-V287 HydrophobicContact CB-CG2 3.33Å |
| 168 | C | 87.8 | Confident | 87 | Confident | 36 Ų | 36 | 46.1 Ų | 46.1 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.6 | -32.7 | 177.3 | -76 | 0 | 0 | 0 | 0 | 112.4 | A164 L165 I170 L171 P172 | A164-C168 WeakPolarHBondContact O-CB 3.49Å; A164-C168 PolarHBondContact O-N 3.13Å; A164-C168 PolarHBondContact O-SG 3.49Å; A164-C168 VanDerWaalsContact O-SG 3.38Å; L165-C168 PolarHBondContact O-N 3.45Å; C168-I170 PolarHBondContact O-N 3.41Å; C168-L171 PolarHBondContact O-N 3.34Å; C168-P172 WeakPolarHBondContact O-CD 3.45Å |
| 169 | A | 88.4 | Confident | 86.4 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 54% | 0.537 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.4 | -22.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L165 V166 A167 | L165-A169 PolarHBondContact O-N 3.17Å; V166-A169 WeakPolarHBondContact O-CB 3.45Å; V166-A169 PolarHBondContact O-N 3.26Å; A167-A169 VanDerWaalsContact C-N 3.3Å; A167-A169 PolarHBondContact O-N 2.84Å |
| 170 | I | 85.8 | Confident | 86.2 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -82.1 | -29.7 | 178 | -62 | 164.6 | 0 | 0 | 0 | 111.5 | V166 A167 C168 I173 I174 L262 | V166-I170 WeakPolarHBondContact O-CG1 3.37Å; V166-I170 PolarHBondContact O-N 3.12Å; A167-I170 WeakPolarHBondContact O-CB 3.37Å; A167-I170 PolarHBondContact O-N 3.05Å; A167-I170 VanDerWaalsContact O-N 3.15Å; C168-I170 PolarHBondContact O-N 3.41Å; I170-I173 WeakPolarHBondContact O-CB 3.41Å; I170-I173 PolarHBondContact O-N 3.02Å; I170-I173 VanDerWaalsContact O-N 3.07Å; I170-I174 HydrophobicContact CG2-CD1 3.82Å; I170-I174 HydrophobicContact CG2-CG1 4.15Å; I170-I174 PolarHBondContact O-N 3.21Å; I170-I174 VanDerWaalsContact O-N 3.13Å; I170-L262 HydrophobicContact CD1-CD1 4.33Å; I170-L262 HydrophobicContact CD1-CD2 4.27Å; I170-L262 HydrophobicContact CD1-CG 3.99Å |
| 171 | L | 82.6 | Confident | 85.9 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.5 | -44.2 | -176.6 | -67.5 | 173.4 | 0 | 0 | 0 | 113.7 | F149 I153 C168 I173 I174 G175 | F149-L171 HydrophobicContact CE2-CD1 4.05Å; F149-L171 HydrophobicContact CE2-CD2 4.25Å; F149-L171 HydrophobicContact CZ-CD1 4.1Å; I153-L171 HydrophobicContact CD1-CD1 4.21Å; C168-L171 PolarHBondContact O-N 3.34Å; L171-I173 VanDerWaalsContact C-N 3.27Å; L171-I173 PolarHBondContact O-N 3.19Å; L171-I174 PolarHBondContact O-N 2.79Å; L171-G175 PolarHBondContact O-N 3.14Å |
| 172 | P | 85.2 | Confident | 85.3 | Confident | 89 Ų | 89 | 44.2 Ų | 44.2 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.3 | -34.9 | 174.7 | -26.1 | 33.9 | 0 | 0 | 0 | 113.7 | C168 G175 A176 | C168-P172 WeakPolarHBondContact O-CD 3.45Å; P172-G175 PolarHBondContact O-N 3.29Å; P172-A176 WeakPolarHBondContact O-CB 3.49Å; P172-A176 PolarHBondContact O-N 3.45Å |
| 173 | I | 85.5 | Confident | 85 | Confident | 97 Ų | 97 | 48.7 Ų | 48.7 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.2 | -47.6 | 178.2 | -61.3 | 168.7 | 0 | 0 | 0 | 109.5 | I170 L171 G175 A176 V177 T254 | I170-I173 WeakPolarHBondContact O-CB 3.41Å; I170-I173 PolarHBondContact O-N 3.02Å; I170-I173 VanDerWaalsContact O-N 3.07Å; L171-I173 VanDerWaalsContact C-N 3.27Å; L171-I173 PolarHBondContact O-N 3.19Å; I173-G175 VanDerWaalsContact C-N 3.3Å; I173-G175 PolarHBondContact O-N 3.22Å; I173-A176 PolarHBondContact O-N 3.29Å; I173-V177 WeakPolarHBondContact O-CG2 3.46Å; I173-V177 PolarHBondContact O-N 3.18Å; I173-T254 HydrophobicContact CG2-CG2 4.08Å |
| 174 | I | 80 | Confident | 84.9 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 175.1 | -65.5 | 171 | 0 | 0 | 0 | 110.1 | I170 L171 A176 V177 F178 T254 | I170-I174 HydrophobicContact CG2-CD1 3.82Å; I170-I174 HydrophobicContact CG2-CG1 4.15Å; I170-I174 PolarHBondContact O-N 3.21Å; I170-I174 VanDerWaalsContact O-N 3.13Å; L171-I174 PolarHBondContact O-N 2.79Å; I174-A176 VanDerWaalsContact C-N 3.35Å; I174-A176 PolarHBondContact O-N 3.08Å; I174-V177 PolarHBondContact O-N 3.21Å; I174-F178 HydrophobicContact CG2-CD2 3.66Å; I174-F178 HydrophobicContact CG2-CE2 3.55Å; I174-F178 VanDerWaalsContact O-CD2 3.29Å; I174-F178 WeakPolarHBondContact O-CD2 3.29Å; I174-F178 PolarHBondContact O-N 2.79Å; I174-T254 HydrophobicContact CG1-CG2 3.68Å |
| 175 | G | 79.5 | Confident | 84.5 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | L171 P172 I173 F178 G179 | L171-G175 PolarHBondContact O-N 3.14Å; P172-G175 PolarHBondContact O-N 3.29Å; I173-G175 VanDerWaalsContact C-N 3.3Å; I173-G175 PolarHBondContact O-N 3.22Å; G175-F178 PolarHBondContact O-N 3.39Å; G175-G179 PolarHBondContact O-N 3.05Å |
| 176 | A | 84.8 | Confident | 84.2 | Confident | 66 Ų | 66 | 56.6 Ų | 56.6 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P172 I173 I174 G179 C180 | P172-A176 WeakPolarHBondContact O-CB 3.49Å; P172-A176 PolarHBondContact O-N 3.45Å; I173-A176 PolarHBondContact O-N 3.29Å; I174-A176 VanDerWaalsContact C-N 3.35Å; I174-A176 PolarHBondContact O-N 3.08Å; A176-G179 PolarHBondContact O-N 3.4Å; A176-C180 VanDerWaalsContact O-CB 3.29Å; A176-C180 WeakPolarHBondContact O-CB 3.48Å; A176-C180 PolarHBondContact O-N 3.13Å |
| 177 | V | 83.5 | Confident | 84.2 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -45.9 | 174.9 | 177 | 0 | 0 | 0 | 0 | 110.9 | I173 I174 C180 F181 T250 I251 | I173-V177 WeakPolarHBondContact O-CG2 3.46Å; I173-V177 PolarHBondContact O-N 3.18Å; I174-V177 PolarHBondContact O-N 3.21Å; V177-C180 PolarHBondContact O-N 2.89Å; V177-F181 PolarHBondContact O-N 3.1Å; V177-T250 HydrophobicContact CG1-CG2 3.85Å; V177-T250 HydrophobicContact CG2-CG2 3.93Å; V177-I251 HydrophobicContact CG1-CG1 3.6Å |
| 178 | F | 78.1 | Confident | 84.2 | Confident | 64 Ų | 64 | 62.2 Ų | 62.2 | 28% | 0.281 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 175.2 | -81.2 | -70.2 | 0 | 0 | 0 | 113.1 | I174 G175 F181 G182 I251 | I174-F178 HydrophobicContact CG2-CD2 3.66Å; I174-F178 HydrophobicContact CG2-CE2 3.55Å; I174-F178 VanDerWaalsContact O-CD2 3.29Å; I174-F178 WeakPolarHBondContact O-CD2 3.29Å; I174-F178 PolarHBondContact O-N 2.79Å; G175-F178 PolarHBondContact O-N 3.39Å; F178-F181 VanDerWaalsContact O-CB 3.31Å; F178-F181 WeakPolarHBondContact O-CB 3.36Å; F178-F181 PolarHBondContact O-N 2.96Å; F178-G182 PolarHBondContact O-N 3.3Å; F178-I251 HydrophobicContact CD1-CD1 4.23Å; F178-I251 HydrophobicContact CE1-CD1 3.83Å; F178-I251 HydrophobicContact CZ-CD1 4.21Å; F178-I251 HydrophobicContact CZ-CG2 4.28Å |
| 179 | G | 80.1 | Confident | 84.2 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | G175 A176 F181 G182 F183 | G175-G179 PolarHBondContact O-N 3.05Å; A176-G179 PolarHBondContact O-N 3.4Å; G179-F181 VanDerWaalsContact C-N 3.32Å; G179-F181 PolarHBondContact O-N 3.17Å; G179-G182 PolarHBondContact O-N 3.5Å; G179-F183 PolarHBondContact O-N 3.03Å |
| 180 | C | 84.4 | Confident | 84.3 | Confident | 65 Ų | 65 | 66 Ų | 66 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 174.6 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | A176 V177 G182 F183 L184 | A176-C180 VanDerWaalsContact O-CB 3.29Å; A176-C180 WeakPolarHBondContact O-CB 3.48Å; A176-C180 PolarHBondContact O-N 3.13Å; V177-C180 PolarHBondContact O-N 2.89Å; C180-G182 PolarHBondContact O-N 3.23Å; C180-F183 PolarHBondContact O-N 3.38Å; C180-L184 WeakPolarHBondContact O-CB 3.37Å; C180-L184 WeakPolarHBondContact O-CG 3.23Å; C180-L184 PolarHBondContact O-N 3.42Å; C180-L184 VanDerWaalsContact SG-CD1 3.55Å |
| 181 | F | 81.7 | Confident | 84.6 | Confident | 73 Ų | 73 | 69.6 Ų | 69.6 | 32% | 0.32 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -52.4 | -53.1 | 173 | 178.6 | -115 | 0 | 0 | 0 | 111.9 | V177 F178 G179 F183 L184 M185 V247 | V177-F181 PolarHBondContact O-N 3.1Å; F178-F181 VanDerWaalsContact O-CB 3.31Å; F178-F181 WeakPolarHBondContact O-CB 3.36Å; F178-F181 PolarHBondContact O-N 2.96Å; G179-F181 VanDerWaalsContact C-N 3.32Å; G179-F181 PolarHBondContact O-N 3.17Å; F181-F183 VanDerWaalsContact C-N 3.33Å; F181-F183 PolarHBondContact O-N 3.16Å; F181-L184 PolarHBondContact O-N 2.97Å; F181-M185 HydrophobicContact CD2-CG 3.7Å; F181-M185 HydrophobicContact CE1-CG 4.29Å; F181-M185 HydrophobicContact CE2-CG 3.4Å; F181-M185 VanDerWaalsContact CE2-CG 3.4Å; F181-M185 HydrophobicContact CE2-SD 4.01Å; F181-M185 HydrophobicContact CG-CG 4.3Å; F181-M185 HydrophobicContact CZ-CG 3.74Å; F181-M185 VanDerWaalsContact O-CB 3.31Å; F181-M185 WeakPolarHBondContact O-CB 3.49Å; F181-M185 VanDerWaalsContact O-CG 3.28Å; F181-M185 WeakPolarHBondContact O-CG 3.5Å; F181-M185 PolarHBondContact O-N 3.36Å; F181-V247 HydrophobicContact CB-CG1 3.56Å; F181-V247 HydrophobicContact CD2-CB 3.86Å; F181-V247 HydrophobicContact CD2-CG1 3.37Å; F181-V247 HydrophobicContact CD2-CG2 4.34Å; F181-V247 HydrophobicContact CE2-CG1 4.38Å; F181-V247 HydrophobicContact CG-CG1 3.82Å |
| 182 | G | 79.3 | Confident | 84.9 | Confident | 40 Ų | 40 | 70.7 Ų | 70.7 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F178 G179 C180 K186 | F178-G182 PolarHBondContact O-N 3.3Å; G179-G182 PolarHBondContact O-N 3.5Å; C180-G182 PolarHBondContact O-N 3.23Å; G182-K186 WeakPolarHBondContact O-CB 3.23Å; G182-K186 PolarHBondContact O-N 3.28Å; G182-K186 VanDerWaalsContact O-N 3.1Å |
| 183 | F | 86.5 | Confident | 85.1 | Confident | 149 Ų | 149 | 70.5 Ų | 70.5 | 65% | 0.654 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.8 | -49.9 | 178.8 | -178 | -95.6 | 0 | 0 | 0 | 112.5 | G179 C180 F181 K186 Y187 | G179-F183 PolarHBondContact O-N 3.03Å; C180-F183 PolarHBondContact O-N 3.38Å; F181-F183 VanDerWaalsContact C-N 3.33Å; F181-F183 PolarHBondContact O-N 3.16Å; F183-K186 PolarHBondContact O-N 3.25Å; F183-Y187 PolarHBondContact O-N 2.98Å |
| 184 | L | 87.7 | Confident | 85.4 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | -179.4 | -71.1 | 172.6 | 0 | 0 | 0 | 111.5 | C180 F181 K186 Y187 F188 T243 V247 | C180-L184 WeakPolarHBondContact O-CB 3.37Å; C180-L184 WeakPolarHBondContact O-CG 3.23Å; C180-L184 PolarHBondContact O-N 3.42Å; C180-L184 VanDerWaalsContact SG-CD1 3.55Å; F181-L184 PolarHBondContact O-N 2.97Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.35Å; L184-Y187 PolarHBondContact O-N 2.99Å; L184-F188 HydrophobicContact CD2-CE2 4.22Å; L184-F188 VanDerWaalsContact O-CD2 3.23Å; L184-F188 WeakPolarHBondContact O-CD2 3.39Å; L184-F188 PolarHBondContact O-N 3.41Å; L184-T243 HydrophobicContact CB-CG2 3.83Å; L184-T243 HydrophobicContact CD1-CG2 3.8Å; L184-T243 HydrophobicContact CD2-CG2 4.49Å; L184-T243 HydrophobicContact CG-CG2 4.26Å; L184-V247 HydrophobicContact CD1-CG2 4.11Å |
| 185 | M | 81.9 | Confident | 85.8 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 20% | 0.202 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 178.5 | -73.4 | -57.3 | -66.1 | 0 | 0 | 112.1 | F181 T189 K240 | F181-M185 HydrophobicContact CD2-CG 3.7Å; F181-M185 HydrophobicContact CE1-CG 4.29Å; F181-M185 HydrophobicContact CE2-CG 3.4Å; F181-M185 VanDerWaalsContact CE2-CG 3.4Å; F181-M185 HydrophobicContact CE2-SD 4.01Å; F181-M185 HydrophobicContact CG-CG 4.3Å; F181-M185 HydrophobicContact CZ-CG 3.74Å; F181-M185 VanDerWaalsContact O-CB 3.31Å; F181-M185 WeakPolarHBondContact O-CB 3.49Å; F181-M185 VanDerWaalsContact O-CG 3.28Å; F181-M185 WeakPolarHBondContact O-CG 3.5Å; F181-M185 PolarHBondContact O-N 3.36Å; M185-T189 WeakPolarHBondContact O-CB 3.36Å; M185-T189 PolarHBondContact O-N 3.34Å; M185-T189 PolarHBondContact O-OG1 3.4Å; M185-K240 HydrophobicContact CE-CG 4.41Å |
| 186 | K | 85.5 | Confident | 86.3 | Confident | 164 Ų | 164 | 69 Ų | 69 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.5 | -48.6 | 174.4 | -177.5 | -179.3 | 178.3 | -178.6 | 0 | 111.4 | G182 F183 L184 H190 | G182-K186 WeakPolarHBondContact O-CB 3.23Å; G182-K186 PolarHBondContact O-N 3.28Å; G182-K186 VanDerWaalsContact O-N 3.1Å; F183-K186 PolarHBondContact O-N 3.25Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.35Å; K186-H190 WeakPolarHBondContact O-CB 3.47Å; K186-H190 PolarHBondContact O-N 3.3Å; K186-H190 VanDerWaalsContact O-N 3.11Å |
| 187 | Y | 90.7 | Very high | 86.6 | Confident | 127 Ų | 127 | 68.6 Ų | 68.6 | 50% | 0.498 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.3 | -50.1 | -178.8 | 179.1 | -96.4 | 0 | 0 | 0 | 112.3 | F183 L184 H190 K191 | F183-Y187 PolarHBondContact O-N 2.98Å; L184-Y187 PolarHBondContact O-N 2.99Å; Y187-H190 PolarHBondContact O-N 3.28Å; Y187-K191 PolarHBondContact O-N 3.03Å; Y187-K191 VanDerWaalsContact O-N 3.1Å |
| 188 | F | 90.2 | Very high | 86.9 | Confident | 29 Ų | 29 | 74.8 Ų | 74.8 | 13% | 0.127 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72 | -36 | -177.8 | -74.7 | -66.4 | 0 | 0 | 0 | 113.4 | L184 H190 K191 E192 K239 K240 T243 | L184-F188 HydrophobicContact CD2-CE2 4.22Å; L184-F188 VanDerWaalsContact O-CD2 3.23Å; L184-F188 WeakPolarHBondContact O-CD2 3.39Å; L184-F188 PolarHBondContact O-N 3.41Å; F188-H190 VanDerWaalsContact C-N 3.33Å; F188-H190 PolarHBondContact O-N 2.87Å; F188-K191 PolarHBondContact O-N 3.13Å; F188-E192 WeakPolarHBondContact O-CB 3.46Å; F188-E192 PolarHBondContact O-N 3.41Å; F188-K239 HydrophobicContact CD1-CB 3.94Å; F188-K239 HydrophobicContact CE1-CB 3.71Å; F188-K239 HydrophobicContact CE1-CD 4.5Å; F188-K240 HydrophobicContact CB-CB 3.83Å; F188-K240 HydrophobicContact CB-CG 4.08Å; F188-T243 HydrophobicContact CD2-CG2 4Å; F188-T243 HydrophobicContact CE2-CG2 3.8Å; F188-T243 VanDerWaalsContact CE2-OG1 3.27Å; F188-T243 WeakPolarHBondContact CE2-OG1 3.31Å |
| 189 | T | 87.6 | Confident | 87.6 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 31% | 0.313 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | M185 T193 K240 | M185-T189 WeakPolarHBondContact O-CB 3.36Å; M185-T189 PolarHBondContact O-N 3.34Å; M185-T189 PolarHBondContact O-OG1 3.4Å; T189-T193 WeakPolarHBondContact O-CB 3.36Å; T189-T193 PolarHBondContact O-N 3.04Å; T189-T193 PolarHBondContact O-OG1 3.46Å; T189-K240 WeakPolarHBondContact OG1-CE 3.2Å |
| 190 | H | 90.6 | Very high | 88.1 | Confident | 130 Ų | 130 | 70.5 Ų | 70.5 | 60% | 0.602 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.1 | -46.3 | 174.4 | -178.7 | 65.2 | 0 | 0 | 0 | 111.5 | K186 Y187 F188 E192 T193 V194 | K186-H190 WeakPolarHBondContact O-CB 3.47Å; K186-H190 PolarHBondContact O-N 3.3Å; K186-H190 VanDerWaalsContact O-N 3.11Å; Y187-H190 PolarHBondContact O-N 3.28Å; F188-H190 VanDerWaalsContact C-N 3.33Å; F188-H190 PolarHBondContact O-N 2.87Å; H190-E192 PolarHBondContact O-N 2.98Å; H190-T193 PolarHBondContact O-N 3.31Å; H190-V194 WeakPolarHBondContact O-CG2 3.33Å; H190-V194 PolarHBondContact O-N 3.37Å |
| 191 | K | 91.4 | Very high | 88.4 | Confident | 89 Ų | 89 | 70.2 Ų | 70.2 | 39% | 0.387 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 178.6 | -169.1 | 170.8 | -176 | 165.3 | 0 | 112.9 | Y187 F188 A195 A236 | Y187-K191 PolarHBondContact O-N 3.03Å; Y187-K191 VanDerWaalsContact O-N 3.1Å; F188-K191 PolarHBondContact O-N 3.13Å; K191-A195 WeakPolarHBondContact O-CB 3.45Å; K191-A195 PolarHBondContact O-N 2.7Å; K191-A236 HydrophobicContact CG-CB 4.3Å |
| 192 | E | 89.2 | Confident | 88.8 | Confident | 49 Ų | 49 | 67.4 Ų | 67.4 | 23% | 0.229 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 174.3 | -178.8 | -170.8 | -168.7 | 0 | 0 | 111.4 | F188 H190 V194 A195 Y196 K240 | F188-E192 WeakPolarHBondContact O-CB 3.46Å; F188-E192 PolarHBondContact O-N 3.41Å; H190-E192 PolarHBondContact O-N 2.98Å; E192-V194 PolarHBondContact O-N 3.27Å; E192-A195 PolarHBondContact O-N 3.31Å; E192-Y196 PolarHBondContact O-N 3.2Å; E192-K240 WeakPolarHBondContact OE2-CD 3.4Å; E192-K240 WeakPolarHBondContact OE2-CE 3.45Å; E192-K240 IonicContact OE2-NZ 2.6Å; E192-K240 PolarHBondContact OE2-NZ 2.73Å |
| 193 | T | 88.4 | Confident | 89.4 | Confident | 85 Ų | 85 | 65.6 Ų | 65.6 | 52% | 0.521 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | -178.9 | -55 | 0 | 0 | 0 | 0 | 111.4 | T189 H190 Y196 A197 | T189-T193 WeakPolarHBondContact O-CB 3.36Å; T189-T193 PolarHBondContact O-N 3.04Å; T189-T193 PolarHBondContact O-OG1 3.46Å; H190-T193 PolarHBondContact O-N 3.31Å; T193-Y196 PolarHBondContact O-N 3.05Å; T193-A197 WeakPolarHBondContact O-CB 3.31Å; T193-A197 PolarHBondContact O-N 3.42Å |
| 194 | V | 92 | Very high | 89.6 | Confident | 59 Ų | 59 | 60 Ų | 60 | 36% | 0.358 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67 | -41.6 | 177.6 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | H190 E192 A197 R198 | H190-V194 WeakPolarHBondContact O-CG2 3.33Å; H190-V194 PolarHBondContact O-N 3.37Å; E192-V194 PolarHBondContact O-N 3.27Å; V194-A197 PolarHBondContact O-N 3.42Å; V194-R198 PolarHBondContact O-N 3.3Å |
| 195 | A | 89.5 | Confident | 89.7 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 8% | 0.083 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | K191 E192 R198 A233 A236 | K191-A195 WeakPolarHBondContact O-CB 3.45Å; K191-A195 PolarHBondContact O-N 2.7Å; E192-A195 PolarHBondContact O-N 3.31Å; A195-R198 PolarHBondContact O-N 3.32Å; A195-A233 HydrophobicContact CB-CB 4.12Å; A195-A236 HydrophobicContact CB-CB 4.33Å |
| 196 | Y | 90.1 | Very high | 90.2 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.7 | -35.7 | 175.7 | -176.7 | -106 | 0 | 0 | 0 | 113 | E192 T193 R198 A199 G200 L230 A778 | E192-Y196 PolarHBondContact O-N 3.2Å; T193-Y196 PolarHBondContact O-N 3.05Å; Y196-R198 PolarHBondContact O-N 2.88Å; Y196-A199 HydrophobicContact CD2-CB 4.42Å; Y196-A199 PolarHBondContact O-N 3.21Å; Y196-A199 VanDerWaalsContact O-N 3.08Å; Y196-G200 PolarHBondContact O-N 3.37Å; Y196-L230 HydrophobicContact CE2-CD2 4.46Å; Y196-A778 HydrophobicContact CE1-CB 3.64Å; Y196-A778 WeakPolarHBondContact OH-CA 3.33Å; Y196-A778 WeakPolarHBondContact OH-CB 3.36Å; Y196-A778 PolarHBondContact OH-N 2.65Å |
| 197 | A | 91.1 | Very high | 90.5 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 49% | 0.488 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.6 | -33.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T193 V194 G200 A201 | T193-A197 WeakPolarHBondContact O-CB 3.31Å; T193-A197 PolarHBondContact O-N 3.42Å; V194-A197 PolarHBondContact O-N 3.42Å; A197-G200 PolarHBondContact O-N 3.44Å; A197-A201 WeakPolarHBondContact O-CB 3.26Å; A197-A201 PolarHBondContact O-N 3.4Å |
| 198 | R | 90 | Very high | 90.5 | Very high | 154 Ų | 154 | 48.1 Ų | 48.1 | 58% | 0.581 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.7 | -45.6 | 173.8 | -64.4 | 177.5 | -176.7 | 172.3 | -1.4 | 112.3 | V194 A195 Y196 G200 A201 V202 | V194-R198 PolarHBondContact O-N 3.3Å; A195-R198 PolarHBondContact O-N 3.32Å; Y196-R198 PolarHBondContact O-N 2.88Å; R198-G200 VanDerWaalsContact C-N 3.33Å; R198-A201 PolarHBondContact O-N 3.02Å; R198-V202 PolarHBondContact O-N 3.38Å |
| 199 | A | 90.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y196 V202 A203 Y226 Q229 L230 | Y196-A199 HydrophobicContact CD2-CB 4.42Å; Y196-A199 PolarHBondContact O-N 3.21Å; Y196-A199 VanDerWaalsContact O-N 3.08Å; A199-V202 PolarHBondContact O-N 2.9Å; A199-A203 PolarHBondContact O-N 3.43Å; A199-Y226 HydrophobicContact CB-CD2 4.28Å; A199-Y226 HydrophobicContact CB-CE2 3.88Å; A199-Y226 WeakPolarHBondContact O-CD2 3.2Å; A199-Y226 VanDerWaalsContact O-CE2 3.23Å; A199-Y226 WeakPolarHBondContact O-CE2 3.48Å; A199-Q229 HydrophobicContact CB-CB 3.72Å; A199-L230 HydrophobicContact CB-CD2 4.22Å; A199-L230 HydrophobicContact CB-CG 4.49Å |
| 200 | G | 92 | Very high | 90.8 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 21% | 0.206 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y196 A197 R198 A203 S204 | Y196-G200 PolarHBondContact O-N 3.37Å; A197-G200 PolarHBondContact O-N 3.44Å; R198-G200 VanDerWaalsContact C-N 3.33Å; G200-A203 PolarHBondContact O-N 3.2Å; G200-S204 PolarHBondContact O-N 2.85Å |
| 201 | A | 89.8 | Confident | 90.8 | Very high | 59 Ų | 59 | 44.4 Ų | 44.4 | 49% | 0.488 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A197 R198 A203 S204 E205 | A197-A201 WeakPolarHBondContact O-CB 3.26Å; A197-A201 PolarHBondContact O-N 3.4Å; R198-A201 PolarHBondContact O-N 3.02Å; A201-A203 VanDerWaalsContact C-N 3.34Å; A201-A203 PolarHBondContact O-N 3.1Å; A201-S204 PolarHBondContact O-N 2.93Å; A201-E205 WeakPolarHBondContact O-CB 3.05Å; A201-E205 PolarHBondContact O-N 3.05Å |
| 202 | V | 90.5 | Very high | 90.8 | Very high | 15 Ų | 15 | 40.8 Ų | 40.8 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 173.9 | 171 | 0 | 0 | 0 | 0 | 110.9 | R198 A199 S204 V206 R225 Y226 Q229 | R198-V202 PolarHBondContact O-N 3.38Å; A199-V202 PolarHBondContact O-N 2.9Å; V202-S204 PolarHBondContact O-N 3.2Å; V202-V206 HydrophobicContact CG1-CG2 4.4Å; V202-V206 WeakPolarHBondContact O-CB 3.46Å; V202-V206 WeakPolarHBondContact O-CG2 3.31Å; V202-V206 PolarHBondContact O-N 3.32Å; V202-V206 VanDerWaalsContact O-N 3.07Å; V202-R225 HydrophobicContact CG1-CB 4.5Å; V202-R225 HydrophobicContact CG1-CG 4.1Å; V202-R225 HydrophobicContact CG2-CG 4.34Å; V202-Y226 HydrophobicContact CG1-CD2 4.48Å; V202-Q229 HydrophobicContact CG2-CG 4.35Å |
| 203 | A | 91.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A199 G200 A201 L207 Y226 F752 L777 | A199-A203 PolarHBondContact O-N 3.43Å; G200-A203 PolarHBondContact O-N 3.2Å; A201-A203 VanDerWaalsContact C-N 3.34Å; A201-A203 PolarHBondContact O-N 3.1Å; A203-L207 WeakPolarHBondContact O-CB 3.46Å; A203-L207 WeakPolarHBondContact O-CD1 3.18Å; A203-L207 WeakPolarHBondContact O-CG 3.37Å; A203-L207 PolarHBondContact O-N 2.78Å; A203-Y226 HydrophobicContact CB-CD2 4.21Å; A203-Y226 HydrophobicContact CB-CE2 3.88Å; A203-F752 HydrophobicContact CB-CD2 4.39Å; A203-F752 HydrophobicContact CB-CE2 3.96Å; A203-L777 HydrophobicContact CB-CD2 3.86Å |
| 204 | S | 89.8 | Confident | 91.1 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 22% | 0.224 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -49 | 178.3 | -156.8 | 0 | 0 | 0 | 0 | 111.6 | G200 A201 V202 V206 L207 E208 | G200-S204 PolarHBondContact O-N 2.85Å; A201-S204 PolarHBondContact O-N 2.93Å; V202-S204 PolarHBondContact O-N 3.2Å; S204-V206 VanDerWaalsContact C-N 3.33Å; S204-V206 PolarHBondContact O-N 2.92Å; S204-L207 PolarHBondContact O-N 3.16Å; S204-E208 WeakPolarHBondContact O-CB 3.43Å; S204-E208 WeakPolarHBondContact O-CG 3.32Å; S204-E208 PolarHBondContact O-N 3.42Å; S204-E208 PolarHBondContact OG-OE1 3.41Å |
| 205 | E | 90.1 | Very high | 91.1 | Very high | 34 Ų | 34 | 32 Ų | 32 | 16% | 0.159 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.4 | -47 | 178.9 | -177.4 | -167 | -168.7 | 0 | 0 | 111.6 | A201 E208 A209 R225 F1083 D1084 | A201-E205 WeakPolarHBondContact O-CB 3.05Å; A201-E205 PolarHBondContact O-N 3.05Å; E205-E208 PolarHBondContact O-N 2.92Å; E205-A209 WeakPolarHBondContact O-CB 3.46Å; E205-A209 PolarHBondContact O-N 2.9Å; E205-R225 IonicContact OE2-CZ 3.02Å; E205-R225 VanDerWaalsContact OE2-CZ 3.31Å; E205-R225 IonicContact OE2-NH1 3.43Å; E205-R225 PolarHBondContact OE2-NH1 3.32Å; E205-R225 IonicContact OE2-NH2 3.24Å; E205-R225 PolarHBondContact OE2-NH2 2.83Å; E205-F1083 HydrophobicContact CG-CD1 4.29Å; E205-F1083 WeakPolarHBondContact OE1-CA 3.35Å; E205-F1083 VanDerWaalsContact OE1-CB 3.3Å; E205-F1083 WeakPolarHBondContact OE1-CB 3.12Å; E205-D1084 PolarHBondContact OE1-N 3.24Å |
| 206 | V | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.8 | -39.6 | -178.8 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | V202 S204 A209 I210 V213 E222 F752 L756 | V202-V206 HydrophobicContact CG1-CG2 4.4Å; V202-V206 WeakPolarHBondContact O-CB 3.46Å; V202-V206 WeakPolarHBondContact O-CG2 3.31Å; V202-V206 PolarHBondContact O-N 3.32Å; V202-V206 VanDerWaalsContact O-N 3.07Å; S204-V206 VanDerWaalsContact C-N 3.33Å; S204-V206 PolarHBondContact O-N 2.92Å; V206-A209 CarbonylContact O-C 3.58Å; V206-A209 PolarHBondContact O-N 3.37Å; V206-I210 WeakPolarHBondContact O-CA 3.36Å; V206-I210 PolarHBondContact O-N 3.16Å; V206-V213 HydrophobicContact CG1-CG1 4.5Å; V206-V213 HydrophobicContact CG1-CG2 4.19Å; V206-E222 HydrophobicContact CG1-CB 4.03Å; V206-E222 HydrophobicContact CG1-CG 4.08Å; V206-E222 HydrophobicContact CG2-CB 3.89Å; V206-E222 HydrophobicContact CG2-CG 3.71Å; V206-E222 WeakPolarHBondContact CG2-OE2 3.36Å; V206-F752 HydrophobicContact CB-CZ 4.11Å; V206-F752 HydrophobicContact CG1-CE2 4.45Å; V206-F752 HydrophobicContact CG1-CZ 3.86Å; V206-L756 HydrophobicContact CG1-CD2 3.6Å |
| 207 | L | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.2 | -37.2 | 178.8 | -68.7 | 168.8 | 0 | 0 | 0 | 111.8 | A203 S204 I210 F752 F763 P770 L773 A774 | A203-L207 WeakPolarHBondContact O-CB 3.46Å; A203-L207 WeakPolarHBondContact O-CD1 3.18Å; A203-L207 WeakPolarHBondContact O-CG 3.37Å; A203-L207 PolarHBondContact O-N 2.78Å; S204-L207 PolarHBondContact O-N 3.16Å; L207-I210 WeakPolarHBondContact O-CB 3.33Å; L207-I210 WeakPolarHBondContact O-CG2 3.29Å; L207-I210 PolarHBondContact O-N 3.28Å; L207-F752 HydrophobicContact CG-CE2 4.41Å; L207-F763 HydrophobicContact CD2-CE1 3.8Å; L207-P770 HydrophobicContact CB-CB 3.82Å; L207-P770 HydrophobicContact CB-CG 4.5Å; L207-P770 WeakPolarHBondContact O-CG 3.48Å; L207-L773 HydrophobicContact CD1-CB 3.86Å; L207-L773 HydrophobicContact CD2-CD1 4.16Å; L207-A774 HydrophobicContact CD1-CB 4.45Å |
| 208 | E | 90.2 | Very high | 91.1 | Very high | 97 Ų | 97 | 29.3 Ų | 29.3 | 45% | 0.453 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 172.7 | -75.8 | 167.6 | -147.8 | 0 | 0 | 111.3 | S204 E205 I210 P770 Q1131 | S204-E208 WeakPolarHBondContact O-CB 3.43Å; S204-E208 WeakPolarHBondContact O-CG 3.32Å; S204-E208 PolarHBondContact O-N 3.42Å; S204-E208 PolarHBondContact OG-OE1 3.41Å; E205-E208 PolarHBondContact O-N 2.92Å; E208-I210 VanDerWaalsContact C-N 3.34Å; E208-I210 PolarHBondContact O-N 2.97Å; E208-P770 HydrophobicContact CG-CB 3.89Å; E208-P770 HydrophobicContact CG-CG 4.35Å; E208-Q1131 PolarHBondContact OE2-NE2 3.28Å; E208-Q1131 VanDerWaalsContact OE2-NE2 3.12Å |
| 209 | A | 90.7 | Very high | 91.2 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 21.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E205 V206 R211 T212 V213 F1083 | E205-A209 WeakPolarHBondContact O-CB 3.46Å; E205-A209 PolarHBondContact O-N 2.9Å; V206-A209 CarbonylContact O-C 3.58Å; V206-A209 PolarHBondContact O-N 3.37Å; A209-R211 VanDerWaalsContact C-N 3.28Å; A209-R211 PolarHBondContact O-N 3.38Å; A209-R211 VanDerWaalsContact O-N 3.16Å; A209-T212 WeakPolarHBondContact O-CA 3.44Å; A209-T212 WeakPolarHBondContact O-CB 3.48Å; A209-T212 PolarHBondContact O-N 2.89Å; A209-V213 WeakPolarHBondContact O-CG2 3.44Å; A209-V213 PolarHBondContact O-N 3.37Å; A209-F1083 HydrophobicContact CB-CE1 3.74Å; A209-F1083 HydrophobicContact CB-CZ 4.25Å |
| 210 | I | 92.7 | Very high | 91.3 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.046 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.5 | -37.8 | -169.6 | -171 | 62.5 | 0 | 0 | 0 | 113.2 | V206 L207 E208 T212 V213 V214 L756 F763 | V206-I210 WeakPolarHBondContact O-CA 3.36Å; V206-I210 PolarHBondContact O-N 3.16Å; L207-I210 WeakPolarHBondContact O-CB 3.33Å; L207-I210 WeakPolarHBondContact O-CG2 3.29Å; L207-I210 PolarHBondContact O-N 3.28Å; E208-I210 VanDerWaalsContact C-N 3.34Å; E208-I210 PolarHBondContact O-N 2.97Å; I210-T212 VanDerWaalsContact C-N 3.29Å; I210-T212 PolarHBondContact O-N 3.29Å; I210-V213 PolarHBondContact O-N 2.94Å; I210-V214 HydrophobicContact CD1-CG2 3.88Å; I210-V214 HydrophobicContact CG1-CG2 4.02Å; I210-V214 VanDerWaalsContact O-CB 3.3Å; I210-V214 WeakPolarHBondContact O-CB 3.28Å; I210-V214 WeakPolarHBondContact O-CG2 3.38Å; I210-V214 PolarHBondContact O-N 3.16Å; I210-L756 HydrophobicContact CD1-CD2 3.84Å; I210-F763 HydrophobicContact CD1-CE2 4.23Å; I210-F763 HydrophobicContact CD1-CZ 3.93Å; I210-F763 HydrophobicContact CG1-CD1 4.41Å; I210-F763 HydrophobicContact CG1-CD2 4.03Å; I210-F763 HydrophobicContact CG1-CE1 4.08Å; I210-F763 HydrophobicContact CG1-CE2 3.67Å; I210-F763 HydrophobicContact CG1-CG 4.37Å; I210-F763 HydrophobicContact CG1-CZ 3.67Å; I210-F763 HydrophobicContact CG2-CB 4.36Å; I210-F763 HydrophobicContact CG2-CD1 4.29Å; I210-F763 HydrophobicContact CG2-CD2 4.39Å; I210-F763 HydrophobicContact CG2-CG 4.11Å |
| 211 | R | 90.9 | Very high | 91.3 | Very high | 113 Ų | 113 | 34.5 Ų | 34.5 | 43% | 0.426 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.1 | -39.3 | 177.3 | -67.8 | -177.4 | 179.7 | 170.4 | 1 | 111.5 | A209 A215 V760 D764 F1042 | A209-R211 VanDerWaalsContact C-N 3.28Å; A209-R211 PolarHBondContact O-N 3.38Å; A209-R211 VanDerWaalsContact O-N 3.16Å; R211-A215 VanDerWaalsContact O-CB 3.25Å; R211-A215 WeakPolarHBondContact O-CB 3.43Å; R211-A215 PolarHBondContact O-N 3.29Å; R211-V760 HydrophobicContact CG-CG1 3.83Å; R211-D764 IonicContact CZ-OD1 2.65Å; R211-D764 IonicContact NH2-OD1 2.79Å; R211-D764 PolarHBondContact NH2-OD1 3.2Å; R211-F1042 HydrophobicContact CB-CE2 4.38Å; R211-F1042 WeakPolarHBondContact O-CZ 3.38Å |
| 212 | T | 91.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 8% | 0.08 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.7 | -46.2 | 176 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | A209 I210 V214 A215 F216 T1081 F1083 | A209-T212 WeakPolarHBondContact O-CA 3.44Å; A209-T212 WeakPolarHBondContact O-CB 3.48Å; A209-T212 PolarHBondContact O-N 2.89Å; I210-T212 VanDerWaalsContact C-N 3.29Å; I210-T212 PolarHBondContact O-N 3.29Å; T212-V214 VanDerWaalsContact C-N 3.32Å; T212-V214 PolarHBondContact O-N 2.73Å; T212-A215 PolarHBondContact O-N 3.28Å; T212-F216 HydrophobicContact CG2-CD2 3.77Å; T212-F216 HydrophobicContact CG2-CE2 3.94Å; T212-F216 VanDerWaalsContact O-CD2 3.3Å; T212-F216 WeakPolarHBondContact O-CD2 3.19Å; T212-F216 PolarHBondContact O-N 2.97Å; T212-T1081 WeakPolarHBondContact CB-OG1 3.48Å; T212-T1081 PolarHBondContact OG1-OG1 2.98Å; T212-F1083 HydrophobicContact CG2-CE2 4.15Å; T212-F1083 HydrophobicContact CG2-CZ 4.11Å |
| 213 | V | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.1 | -46 | 178.5 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | V206 A209 I210 G217 G218 E219 E222 F1083 | V206-V213 HydrophobicContact CG1-CG1 4.5Å; V206-V213 HydrophobicContact CG1-CG2 4.19Å; A209-V213 WeakPolarHBondContact O-CG2 3.44Å; A209-V213 PolarHBondContact O-N 3.37Å; I210-V213 PolarHBondContact O-N 2.94Å; V213-G217 PolarHBondContact O-N 3.27Å; V213-G217 VanDerWaalsContact O-N 3.07Å; V213-G218 PolarHBondContact O-N 3.24Å; V213-E219 HydrophobicContact CG1-CG 4.43Å; V213-E222 HydrophobicContact CG1-CG 3.98Å; V213-E222 HydrophobicContact CG2-CG 4.39Å; V213-F1083 HydrophobicContact CG2-CE1 3.79Å; V213-F1083 HydrophobicContact CG2-CZ 3.7Å |
| 214 | V | 91.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.2 | -38.3 | 179.5 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | I210 T212 G217 V760 F1042 R1070 | I210-V214 HydrophobicContact CD1-CG2 3.88Å; I210-V214 HydrophobicContact CG1-CG2 4.02Å; I210-V214 VanDerWaalsContact O-CB 3.3Å; I210-V214 WeakPolarHBondContact O-CB 3.28Å; I210-V214 WeakPolarHBondContact O-CG2 3.38Å; I210-V214 PolarHBondContact O-N 3.16Å; T212-V214 VanDerWaalsContact C-N 3.32Å; T212-V214 PolarHBondContact O-N 2.73Å; V214-G217 PolarHBondContact O-N 2.79Å; V214-V760 HydrophobicContact CG1-CG2 4.4Å; V214-F1042 HydrophobicContact CB-CE1 4.47Å; V214-F1042 HydrophobicContact CG1-CD1 4.32Å; V214-F1042 HydrophobicContact CG1-CE1 3.93Å; V214-R1070 VanDerWaalsContact CG1-CZ 3.41Å; V214-R1070 WeakPolarHBondContact O-CD 3.36Å |
| 215 | A | 91 | Very high | 91.9 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R211 T212 F1042 L1075 | R211-A215 VanDerWaalsContact O-CB 3.25Å; R211-A215 WeakPolarHBondContact O-CB 3.43Å; R211-A215 PolarHBondContact O-N 3.29Å; T212-A215 PolarHBondContact O-N 3.28Å; A215-F1042 HydrophobicContact CB-CZ 4.1Å; A215-L1075 HydrophobicContact CB-CD2 3.71Å |
| 216 | F | 91.8 | Very high | 92.1 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 5% | 0.053 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -91.6 | -0.7 | -178.2 | -69.6 | -80.1 | 0 | 0 | 0 | 113.9 | T212 Y1093 N1096 R1148 R1152 | T212-F216 HydrophobicContact CG2-CD2 3.77Å; T212-F216 HydrophobicContact CG2-CE2 3.94Å; T212-F216 VanDerWaalsContact O-CD2 3.3Å; T212-F216 WeakPolarHBondContact O-CD2 3.19Å; T212-F216 PolarHBondContact O-N 2.97Å; F216-Y1093 HydrophobicContact CB-CD1 3.95Å; F216-Y1093 HydrophobicContact CB-CE1 4.03Å; F216-Y1093 HydrophobicContact CG-CD1 4.37Å; F216-N1096 PolarHBondContact O-ND2 3.45Å; F216-N1096 VanDerWaalsContact O-ND2 3.17Å; F216-R1148 HydrophobicContact CD1-CG 4.31Å; F216-R1148 HydrophobicContact CE1-CG 3.8Å; F216-R1148 HydrophobicContact CE2-CG 4.46Å; F216-R1148 HydrophobicContact CZ-CG 3.9Å; F216-R1152 VanDerWaalsContact CD1-NH2 3.34Å; F216-R1152 PolarHBondContact O-NH2 2.85Å |
| 217 | G | 90.1 | Very high | 92.3 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 40% | 0.402 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 34.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V213 V214 E219 | V213-G217 PolarHBondContact O-N 3.27Å; V213-G217 VanDerWaalsContact O-N 3.07Å; V214-G217 PolarHBondContact O-N 2.79Å; G217-E219 VanDerWaalsContact CA-OE2 3.24Å; G217-E219 WeakPolarHBondContact CA-OE2 3.3Å |
| 218 | G | 90.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -85.1 | 1.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | V213 K220 R221 E222 | V213-G218 PolarHBondContact O-N 3.24Å; G218-K220 VanDerWaalsContact C-N 3.32Å; G218-K220 PolarHBondContact O-N 2.62Å; G218-R221 WeakPolarHBondContact O-CB 3.36Å; G218-R221 PolarHBondContact O-N 3.15Å; G218-E222 PolarHBondContact O-N 2.9Å | ||
| 219 | E | 92.3 | Very high | 92.4 | Very high | 28 Ų | 28 | 49 Ų | 49 | 13% | 0.131 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -42.1 | -168.6 | -55.6 | 93.2 | 149.9 | 0 | 0 | 112.3 | V213 G217 L223 L756 | V213-E219 HydrophobicContact CG1-CG 4.43Å; G217-E219 VanDerWaalsContact CA-OE2 3.24Å; G217-E219 WeakPolarHBondContact CA-OE2 3.3Å; E219-L223 WeakPolarHBondContact O-CB 3.3Å; E219-L223 PolarHBondContact O-N 3.4Å; E219-L756 HydrophobicContact CB-CB 4.33Å |
| 220 | K | 92 | Very high | 92.5 | Very high | 169 Ų | 169 | 48.7 Ų | 48.7 | 74% | 0.735 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -69.1 | -36.2 | 178.5 | -68.9 | -175.7 | 179.9 | 179.1 | 0 | 113.1 | G218 K224 | G218-K220 VanDerWaalsContact C-N 3.32Å; G218-K220 PolarHBondContact O-N 2.62Å; K220-K224 PolarHBondContact O-N 2.85Å; K220-K224 VanDerWaalsContact O-N 3.12Å |
| 221 | R | 91.7 | Very high | 92.5 | Very high | 85 Ų | 85 | 49.6 Ų | 49.6 | 32% | 0.321 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.7 | -46.3 | 178.3 | -180 | 179.3 | 175.2 | 176.7 | -1.7 | 109.8 | G218 K224 R225 Y1093 N1096 | G218-R221 WeakPolarHBondContact O-CB 3.36Å; G218-R221 PolarHBondContact O-N 3.15Å; R221-K224 WeakPolarHBondContact O-CB 3.36Å; R221-K224 PolarHBondContact O-N 3.06Å; R221-R225 PolarHBondContact O-N 3Å; R221-Y1093 VanDerWaalsContact NH1-CD2 3.35Å; R221-N1096 WeakPolarHBondContact CD-OD1 3.37Å; R221-N1096 PolarHBondContact NH1-OD1 3.49Å; R221-N1096 VanDerWaalsContact NH1-OD1 3.08Å |
| 222 | E | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 177.7 | -63.3 | -47.6 | 139.5 | 0 | 0 | 112.9 | V206 V213 G218 K224 R225 Y226 Y1093 | V206-E222 HydrophobicContact CG1-CB 4.03Å; V206-E222 HydrophobicContact CG1-CG 4.08Å; V206-E222 HydrophobicContact CG2-CB 3.89Å; V206-E222 HydrophobicContact CG2-CG 3.71Å; V206-E222 WeakPolarHBondContact CG2-OE2 3.36Å; V213-E222 HydrophobicContact CG1-CG 3.98Å; V213-E222 HydrophobicContact CG2-CG 4.39Å; G218-E222 PolarHBondContact O-N 2.9Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.35Å; E222-R225 PolarHBondContact O-N 3.06Å; E222-R225 IonicContact OE2-CZ 2.68Å; E222-R225 IonicContact OE2-NE 3.95Å; E222-R225 PolarHBondContact OE2-NE 3.11Å; E222-R225 IonicContact OE2-NH2 3.73Å; E222-R225 PolarHBondContact OE2-NH2 3.38Å; E222-Y226 WeakPolarHBondContact O-CB 3.41Å; E222-Y226 PolarHBondContact O-N 3.02Å; E222-Y1093 WeakPolarHBondContact CG-OH 3.46Å; E222-Y1093 VanDerWaalsContact OE1-CE2 3.25Å; E222-Y1093 WeakPolarHBondContact OE1-CE2 2.87Å; E222-Y1093 PolarHBondContact OE1-OH 2.95Å |
| 223 | L | 94.4 | Very high | 92.4 | Very high | 34 Ų | 34 | 46.9 Ų | 46.9 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 172.3 | -170.2 | 92 | 0 | 0 | 0 | 111.7 | E219 Y226 R227 L749 F752 E753 L756 | E219-L223 WeakPolarHBondContact O-CB 3.3Å; E219-L223 PolarHBondContact O-N 3.4Å; L223-Y226 PolarHBondContact O-N 3Å; L223-R227 WeakPolarHBondContact O-CB 3.45Å; L223-R227 PolarHBondContact O-N 3.44Å; L223-L749 HydrophobicContact CD1-CD1 4.02Å; L223-L749 HydrophobicContact CG-CD1 4.02Å; L223-F752 HydrophobicContact CD1-CD1 4.28Å; L223-E753 HydrophobicContact CD1-CB 3.52Å; L223-E753 HydrophobicContact CD1-CG 3.92Å; L223-L756 HydrophobicContact CB-CD1 4.39Å; L223-L756 HydrophobicContact CD1-CD1 4.41Å |
| 224 | K | 94.4 | Very high | 92.4 | Very high | 136 Ų | 136 | 49.7 Ų | 49.7 | 59% | 0.591 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.6 | -47 | 177.8 | -172.2 | -174.9 | 175.8 | -168.9 | 0 | 111.2 | K220 R221 E222 Y226 R227 E228 | K220-K224 PolarHBondContact O-N 2.85Å; K220-K224 VanDerWaalsContact O-N 3.12Å; R221-K224 WeakPolarHBondContact O-CB 3.36Å; R221-K224 PolarHBondContact O-N 3.06Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.35Å; K224-Y226 VanDerWaalsContact C-N 3.31Å; K224-Y226 PolarHBondContact O-N 2.89Å; K224-R227 WeakPolarHBondContact O-CB 3.32Å; K224-R227 PolarHBondContact O-N 3.24Å; K224-R227 VanDerWaalsContact O-N 3.15Å; K224-E228 VanDerWaalsContact CE-OE1 3.26Å; K224-E228 WeakPolarHBondContact CE-OE1 3.49Å; K224-E228 PolarHBondContact O-N 3.08Å |
| 225 | R | 92.8 | Very high | 92.3 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.7 | -44.5 | 176.6 | -171.9 | 168.5 | 69.2 | 136.7 | 7 | 111.5 | V202 E205 R221 E222 Q229 | V202-R225 HydrophobicContact CG1-CB 4.5Å; V202-R225 HydrophobicContact CG1-CG 4.1Å; V202-R225 HydrophobicContact CG2-CG 4.34Å; E205-R225 IonicContact OE2-CZ 3.02Å; E205-R225 VanDerWaalsContact OE2-CZ 3.31Å; E205-R225 IonicContact OE2-NH1 3.43Å; E205-R225 PolarHBondContact OE2-NH1 3.32Å; E205-R225 IonicContact OE2-NH2 3.24Å; E205-R225 PolarHBondContact OE2-NH2 2.83Å; R221-R225 PolarHBondContact O-N 3Å; E222-R225 PolarHBondContact O-N 3.06Å; E222-R225 IonicContact OE2-CZ 2.68Å; E222-R225 IonicContact OE2-NE 3.95Å; E222-R225 PolarHBondContact OE2-NE 3.11Å; E222-R225 IonicContact OE2-NH2 3.73Å; E222-R225 PolarHBondContact OE2-NH2 3.38Å; R225-Q229 PolarHBondContact O-N 3.04Å |
| 226 | Y | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 176.5 | -174.7 | -116.3 | 0 | 0 | 0 | 112.7 | A199 V202 A203 E222 L223 K224 E228 Q229 L230 R748 L749 F752 L777 | A199-Y226 HydrophobicContact CB-CD2 4.28Å; A199-Y226 HydrophobicContact CB-CE2 3.88Å; A199-Y226 WeakPolarHBondContact O-CD2 3.2Å; A199-Y226 VanDerWaalsContact O-CE2 3.23Å; A199-Y226 WeakPolarHBondContact O-CE2 3.48Å; V202-Y226 HydrophobicContact CG1-CD2 4.48Å; A203-Y226 HydrophobicContact CB-CD2 4.21Å; A203-Y226 HydrophobicContact CB-CE2 3.88Å; E222-Y226 WeakPolarHBondContact O-CB 3.41Å; E222-Y226 PolarHBondContact O-N 3.02Å; L223-Y226 PolarHBondContact O-N 3Å; K224-Y226 VanDerWaalsContact C-N 3.31Å; K224-Y226 PolarHBondContact O-N 2.89Å; Y226-E228 PolarHBondContact O-N 3.21Å; Y226-Q229 PolarHBondContact O-N 2.89Å; Y226-L230 HydrophobicContact CD1-CD1 3.7Å; Y226-L230 HydrophobicContact CD1-CG 4.21Å; Y226-L230 HydrophobicContact CE1-CD1 3.29Å; Y226-L230 HydrophobicContact CE1-CD2 4.32Å; Y226-L230 HydrophobicContact CE1-CG 3.85Å; Y226-L230 HydrophobicContact CE2-CD2 4.43Å; Y226-L230 HydrophobicContact CE2-CG 4.27Å; Y226-L230 WeakPolarHBondContact O-CG 3.44Å; Y226-L230 PolarHBondContact O-N 2.93Å; Y226-R748 HydrophobicContact CE1-CB 4.29Å; Y226-L749 HydrophobicContact CD1-CD1 4.49Å; Y226-F752 HydrophobicContact CD1-CB 3.99Å; Y226-F752 AromaticContact CD1-CD1 3.43Å; Y226-F752 HydrophobicContact CD1-CD1 3.43Å; Y226-F752 VanDerWaalsContact CD1-CD1 3.43Å; Y226-F752 HydrophobicContact CD1-CE1 4Å; Y226-F752 AromaticContact CD1-CG 3.78Å; Y226-F752 HydrophobicContact CD1-CG 3.78Å; Y226-F752 HydrophobicContact CE1-CB 3.83Å; Y226-F752 HydrophobicContact CE1-CD1 4.11Å; Y226-F752 AromaticContact CE1-CG 3.97Å; Y226-F752 HydrophobicContact CE1-CG 3.97Å; Y226-F752 AromaticContact CG-CD1 3.79Å; Y226-F752 HydrophobicContact CG-CD1 3.79Å; Y226-F752 AromaticContact CG-CE1 3.85Å; Y226-F752 HydrophobicContact CG-CE1 3.85Å; Y226-F752 HydrophobicContact CG-CG 4.34Å; Y226-F752 HydrophobicContact CG-CZ 4.47Å; Y226-L777 HydrophobicContact CE1-CD2 4.18Å; Y226-L777 HydrophobicContact CE2-CD2 4.21Å; Y226-L777 WeakPolarHBondContact OH-CD2 3.49Å; Y226-L777 WeakPolarHBondContact OH-CG 3.32Å |
| 227 | R | 96 | Very high | 92.2 | Very high | 160 Ų | 160 | 55.5 Ų | 55.5 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61 | -42.2 | 178.4 | -173.3 | 177.1 | -172.9 | 166.6 | 0.9 | 112.9 | L223 K224 L230 G231 L749 | L223-R227 WeakPolarHBondContact O-CB 3.45Å; L223-R227 PolarHBondContact O-N 3.44Å; K224-R227 WeakPolarHBondContact O-CB 3.32Å; K224-R227 PolarHBondContact O-N 3.24Å; K224-R227 VanDerWaalsContact O-N 3.15Å; R227-L230 PolarHBondContact O-N 3.27Å; R227-G231 PolarHBondContact O-N 2.69Å; R227-L749 HydrophobicContact CB-CD1 3.87Å; R227-L749 HydrophobicContact CG-CD1 4.24Å; R227-L749 HydrophobicContact CG-CD2 4.17Å |
| 228 | E | 93.3 | Very high | 92.2 | Very high | 112 Ų | 112 | 56.1 Ų | 56.1 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 178.1 | -72.4 | 171.5 | -173 | 0 | 0 | 111.2 | K224 Y226 L230 G231 T232 | K224-E228 VanDerWaalsContact CE-OE1 3.26Å; K224-E228 WeakPolarHBondContact CE-OE1 3.49Å; K224-E228 PolarHBondContact O-N 3.08Å; Y226-E228 PolarHBondContact O-N 3.21Å; E228-L230 PolarHBondContact O-N 3.49Å; E228-G231 PolarHBondContact O-N 3.2Å; E228-T232 PolarHBondContact O-N 3.27Å |
| 229 | Q | 92.4 | Very high | 92.2 | Very high | 54 Ų | 54 | 61 Ų | 61 | 25% | 0.252 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 176.2 | -62.9 | -59 | -31.9 | 0 | 0 | 112.3 | A199 V202 R225 Y226 G231 T232 A233 | A199-Q229 HydrophobicContact CB-CB 3.72Å; V202-Q229 HydrophobicContact CG2-CG 4.35Å; R225-Q229 PolarHBondContact O-N 3.04Å; Y226-Q229 PolarHBondContact O-N 2.89Å; Q229-G231 VanDerWaalsContact C-N 3.32Å; Q229-G231 PolarHBondContact O-N 2.9Å; Q229-T232 PolarHBondContact O-N 2.92Å; Q229-T232 PolarHBondContact O-OG1 3.19Å; Q229-A233 PolarHBondContact O-N 2.83Å |
| 230 | L | 92.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -37.6 | 174.4 | -80 | -179.8 | 0 | 0 | 0 | 112.9 | Y196 A199 Y226 R227 E228 T232 A233 E234 R748 L749 | Y196-L230 HydrophobicContact CE2-CD2 4.46Å; A199-L230 HydrophobicContact CB-CD2 4.22Å; A199-L230 HydrophobicContact CB-CG 4.49Å; Y226-L230 HydrophobicContact CD1-CD1 3.7Å; Y226-L230 HydrophobicContact CD1-CG 4.21Å; Y226-L230 HydrophobicContact CE1-CD1 3.29Å; Y226-L230 HydrophobicContact CE1-CD2 4.32Å; Y226-L230 HydrophobicContact CE1-CG 3.85Å; Y226-L230 HydrophobicContact CE2-CD2 4.43Å; Y226-L230 HydrophobicContact CE2-CG 4.27Å; Y226-L230 WeakPolarHBondContact O-CG 3.44Å; Y226-L230 PolarHBondContact O-N 2.93Å; R227-L230 PolarHBondContact O-N 3.27Å; E228-L230 PolarHBondContact O-N 3.49Å; L230-T232 VanDerWaalsContact C-N 3.32Å; L230-T232 PolarHBondContact O-N 3.33Å; L230-A233 PolarHBondContact O-N 3.31Å; L230-A233 VanDerWaalsContact O-N 3.16Å; L230-E234 PolarHBondContact O-N 2.97Å; L230-R748 HydrophobicContact CD1-CB 3.92Å; L230-R748 HydrophobicContact CD2-CB 4.22Å; L230-L749 HydrophobicContact CD1-CB 4.34Å |
| 231 | G | 92.4 | Very high | 92 | Very high | 28 Ų | 28 | 55.7 Ų | 55.7 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R227 E228 Q229 A233 E234 E235 | R227-G231 PolarHBondContact O-N 2.69Å; E228-G231 PolarHBondContact O-N 3.2Å; Q229-G231 VanDerWaalsContact C-N 3.32Å; Q229-G231 PolarHBondContact O-N 2.9Å; G231-A233 VanDerWaalsContact C-N 3.31Å; G231-A233 PolarHBondContact O-N 3.5Å; G231-E234 WeakPolarHBondContact O-CB 3.45Å; G231-E234 PolarHBondContact O-N 2.87Å; G231-E235 PolarHBondContact O-N 2.94Å; G231-E235 VanDerWaalsContact O-N 3.11Å |
| 232 | T | 91.1 | Very high | 91.9 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 36% | 0.362 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.2 | -35 | 176.4 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | E228 Q229 L230 A236 | E228-T232 PolarHBondContact O-N 3.27Å; Q229-T232 PolarHBondContact O-N 2.92Å; Q229-T232 PolarHBondContact O-OG1 3.19Å; L230-T232 VanDerWaalsContact C-N 3.32Å; L230-T232 PolarHBondContact O-N 3.33Å; T232-A236 PolarHBondContact O-N 2.96Å |
| 233 | A | 90.1 | Very high | 91.7 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.9 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A195 Q229 L230 G231 A236 G237 | A195-A233 HydrophobicContact CB-CB 4.12Å; Q229-A233 PolarHBondContact O-N 2.83Å; L230-A233 PolarHBondContact O-N 3.31Å; L230-A233 VanDerWaalsContact O-N 3.16Å; G231-A233 VanDerWaalsContact C-N 3.31Å; G231-A233 PolarHBondContact O-N 3.5Å; A233-A236 PolarHBondContact O-N 2.98Å; A233-G237 PolarHBondContact O-N 3.21Å |
| 234 | E | 91.7 | Very high | 91.3 | Very high | 59 Ų | 59 | 54.9 Ų | 54.9 | 28% | 0.276 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 175.6 | -174.6 | -177.5 | 147.4 | 0 | 0 | 111.7 | L230 G231 A236 G237 L238 I742 S745 | L230-E234 PolarHBondContact O-N 2.97Å; G231-E234 WeakPolarHBondContact O-CB 3.45Å; G231-E234 PolarHBondContact O-N 2.87Å; E234-A236 PolarHBondContact O-N 3.32Å; E234-G237 PolarHBondContact O-N 3.42Å; E234-L238 WeakPolarHBondContact O-CB 3.49Å; E234-L238 PolarHBondContact O-N 3.39Å; E234-I742 WeakPolarHBondContact OE1-CG1 3.43Å; E234-S745 VanDerWaalsContact OE2-CB 3.28Å; E234-S745 WeakPolarHBondContact OE2-CB 3.37Å; E234-S745 PolarHBondContact OE2-OG 3.11Å |
| 235 | E | 91.4 | Very high | 91 | Very high | 125 Ų | 125 | 48.5 Ų | 48.5 | 58% | 0.584 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.1 | -40.8 | 177.9 | -70.8 | -175.7 | -175.2 | 0 | 0 | 112.9 | G231 L238 K239 | G231-E235 PolarHBondContact O-N 2.94Å; G231-E235 VanDerWaalsContact O-N 3.11Å; E235-L238 PolarHBondContact O-N 3.15Å; E235-K239 WeakPolarHBondContact O-CG 3.23Å; E235-K239 PolarHBondContact O-N 3.21Å; E235-K239 VanDerWaalsContact O-N 3.09Å |
| 236 | A | 90.5 | Very high | 90.8 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | K191 A195 T232 A233 E234 K239 K240 | K191-A236 HydrophobicContact CG-CB 4.3Å; A195-A236 HydrophobicContact CB-CB 4.33Å; T232-A236 PolarHBondContact O-N 2.96Å; A233-A236 PolarHBondContact O-N 2.98Å; E234-A236 PolarHBondContact O-N 3.32Å; A236-K239 PolarHBondContact O-N 2.99Å; A236-K240 PolarHBondContact O-N 3.02Å; A236-K240 VanDerWaalsContact O-N 3.15Å |
| 237 | G | 88.8 | Confident | 90.4 | Very high | 12 Ų | 12 | 48.2 Ų | 48.2 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | A233 E234 K240 V241 | A233-G237 PolarHBondContact O-N 3.21Å; E234-G237 PolarHBondContact O-N 3.42Å; G237-K240 WeakPolarHBondContact O-CB 3.38Å; G237-K240 PolarHBondContact O-N 3.31Å; G237-V241 WeakPolarHBondContact O-CG2 3.32Å; G237-V241 PolarHBondContact O-N 3.01Å |
| 238 | L | 90.7 | Very high | 89.8 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 28% | 0.277 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 176.1 | -179.7 | 60.6 | 0 | 0 | 0 | 111.2 | E234 E235 K240 V241 V242 K738 | E234-L238 WeakPolarHBondContact O-CB 3.49Å; E234-L238 PolarHBondContact O-N 3.39Å; E235-L238 PolarHBondContact O-N 3.15Å; L238-K240 VanDerWaalsContact C-N 3.29Å; L238-K240 PolarHBondContact O-N 2.97Å; L238-V241 PolarHBondContact O-N 3.45Å; L238-V242 HydrophobicContact CD1-CG2 3.94Å; L238-V242 HydrophobicContact CG-CG2 4.28Å; L238-V242 VanDerWaalsContact O-CG2 3.23Å; L238-V242 WeakPolarHBondContact O-CG2 3.32Å; L238-V242 PolarHBondContact O-N 2.95Å; L238-K738 HydrophobicContact CD1-CB 3.98Å |
| 239 | K | 91.1 | Very high | 89.5 | Confident | 103 Ų | 103 | 38.1 Ų | 38.1 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.5 | -43.4 | 177 | -73.1 | 173.4 | -178.5 | 170.1 | 0 | 111.4 | F188 E235 A236 V242 T243 | F188-K239 HydrophobicContact CD1-CB 3.94Å; F188-K239 HydrophobicContact CE1-CB 3.71Å; F188-K239 HydrophobicContact CE1-CD 4.5Å; E235-K239 WeakPolarHBondContact O-CG 3.23Å; E235-K239 PolarHBondContact O-N 3.21Å; E235-K239 VanDerWaalsContact O-N 3.09Å; A236-K239 PolarHBondContact O-N 2.99Å; K239-V242 PolarHBondContact O-N 3.01Å; K239-T243 WeakPolarHBondContact O-CB 3.23Å; K239-T243 PolarHBondContact O-N 2.91Å; K239-T243 PolarHBondContact O-OG1 3.45Å |
| 240 | K | 89.9 | Confident | 89.3 | Confident | 47 Ų | 47 | 37.8 Ų | 37.8 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.1 | -51.2 | 175.2 | -178.4 | -171.9 | 174.6 | -172.4 | 0 | 112.4 | M185 F188 T189 E192 A236 G237 L238 T243 S244 | M185-K240 HydrophobicContact CE-CG 4.41Å; F188-K240 HydrophobicContact CB-CB 3.83Å; F188-K240 HydrophobicContact CB-CG 4.08Å; T189-K240 WeakPolarHBondContact OG1-CE 3.2Å; E192-K240 WeakPolarHBondContact OE2-CD 3.4Å; E192-K240 WeakPolarHBondContact OE2-CE 3.45Å; E192-K240 IonicContact OE2-NZ 2.6Å; E192-K240 PolarHBondContact OE2-NZ 2.73Å; A236-K240 PolarHBondContact O-N 3.02Å; A236-K240 VanDerWaalsContact O-N 3.15Å; G237-K240 WeakPolarHBondContact O-CB 3.38Å; G237-K240 PolarHBondContact O-N 3.31Å; L238-K240 VanDerWaalsContact C-N 3.29Å; L238-K240 PolarHBondContact O-N 2.97Å; K240-T243 PolarHBondContact O-N 3.13Å; K240-S244 WeakPolarHBondContact O-CB 3.45Å; K240-S244 PolarHBondContact O-N 3.41Å |
| 241 | V | 88.4 | Confident | 88.9 | Confident | 38 Ų | 38 | 39.5 Ų | 39.5 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | -176.4 | 178.3 | 0 | 0 | 0 | 0 | 111 | G237 L238 S244 G245 S733 | G237-V241 WeakPolarHBondContact O-CG2 3.32Å; G237-V241 PolarHBondContact O-N 3.01Å; L238-V241 PolarHBondContact O-N 3.45Å; V241-S244 WeakPolarHBondContact O-CB 3.43Å; V241-S244 PolarHBondContact O-N 3.37Å; V241-G245 PolarHBondContact O-N 3.35Å; V241-S733 WeakPolarHBondContact CG1-O 3.02Å |
| 242 | V | 90.6 | Very high | 88.4 | Confident | 35 Ų | 35 | 38.4 Ų | 38.4 | 21% | 0.212 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 177.4 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | L238 K239 S244 G245 A246 L734 | L238-V242 HydrophobicContact CD1-CG2 3.94Å; L238-V242 HydrophobicContact CG-CG2 4.28Å; L238-V242 VanDerWaalsContact O-CG2 3.23Å; L238-V242 WeakPolarHBondContact O-CG2 3.32Å; L238-V242 PolarHBondContact O-N 2.95Å; K239-V242 PolarHBondContact O-N 3.01Å; V242-S244 VanDerWaalsContact C-N 3.33Å; V242-S244 PolarHBondContact O-N 3.08Å; V242-G245 PolarHBondContact O-N 2.92Å; V242-A246 WeakPolarHBondContact O-CB 3.41Å; V242-A246 PolarHBondContact O-N 3.47Å; V242-L734 HydrophobicContact CB-CD2 4.21Å; V242-L734 HydrophobicContact CG1-CD2 3.85Å; V242-L734 HydrophobicContact CG1-CG 4.18Å; V242-L734 HydrophobicContact CG2-CD2 3.24Å; V242-L734 HydrophobicContact CG2-CG 3.81Å |
| 243 | T | 88.8 | Confident | 88.3 | Confident | 28 Ų | 28 | 37.7 Ų | 37.7 | 17% | 0.172 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 175 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | L184 F188 K239 K240 G245 A246 V247 | L184-T243 HydrophobicContact CB-CG2 3.83Å; L184-T243 HydrophobicContact CD1-CG2 3.8Å; L184-T243 HydrophobicContact CD2-CG2 4.49Å; L184-T243 HydrophobicContact CG-CG2 4.26Å; F188-T243 HydrophobicContact CD2-CG2 4Å; F188-T243 HydrophobicContact CE2-CG2 3.8Å; F188-T243 VanDerWaalsContact CE2-OG1 3.27Å; F188-T243 WeakPolarHBondContact CE2-OG1 3.31Å; K239-T243 WeakPolarHBondContact O-CB 3.23Å; K239-T243 PolarHBondContact O-N 2.91Å; K239-T243 PolarHBondContact O-OG1 3.45Å; K240-T243 PolarHBondContact O-N 3.13Å; T243-G245 VanDerWaalsContact C-N 3.31Å; T243-G245 PolarHBondContact O-N 3.04Å; T243-A246 PolarHBondContact O-N 3.29Å; T243-V247 HydrophobicContact CG2-CG2 4.39Å; T243-V247 VanDerWaalsContact O-CG2 3.27Å; T243-V247 WeakPolarHBondContact O-CG2 3.38Å; T243-V247 PolarHBondContact O-N 3.39Å |
| 244 | S | 85.9 | Confident | 88.1 | Confident | 40 Ų | 40 | 38.3 Ų | 38.3 | 28% | 0.28 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 174.3 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | K240 V241 V242 V247 N248 | K240-S244 WeakPolarHBondContact O-CB 3.45Å; K240-S244 PolarHBondContact O-N 3.41Å; V241-S244 WeakPolarHBondContact O-CB 3.43Å; V241-S244 PolarHBondContact O-N 3.37Å; V242-S244 VanDerWaalsContact C-N 3.33Å; V242-S244 PolarHBondContact O-N 3.08Å; S244-V247 PolarHBondContact O-N 2.96Å; S244-N248 WeakPolarHBondContact O-CB 3.48Å; S244-N248 PolarHBondContact O-N 2.81Å |
| 245 | G | 88.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V241 V242 T243 V247 N248 G249 S733 | V241-G245 PolarHBondContact O-N 3.35Å; V242-G245 PolarHBondContact O-N 2.92Å; T243-G245 VanDerWaalsContact C-N 3.31Å; T243-G245 PolarHBondContact O-N 3.04Å; G245-V247 VanDerWaalsContact C-N 3.35Å; G245-V247 PolarHBondContact O-N 3.35Å; G245-N248 PolarHBondContact O-N 3.39Å; G245-G249 PolarHBondContact O-N 2.96Å; G245-S733 WeakPolarHBondContact CA-OG 3.35Å |
| 246 | A | 89.3 | Confident | 87.4 | Confident | 29 Ų | 29 | 31.2 Ų | 31.2 | 24% | 0.24 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V242 T243 G249 T250 I730 | V242-A246 WeakPolarHBondContact O-CB 3.41Å; V242-A246 PolarHBondContact O-N 3.47Å; T243-A246 PolarHBondContact O-N 3.29Å; A246-G249 CarbonylContact O-C 3.37Å; A246-G249 PolarHBondContact O-N 3.36Å; A246-T250 PolarHBondContact O-N 3.43Å; A246-T250 PolarHBondContact O-OG1 3.04Å; A246-I730 HydrophobicContact CB-CD1 4.08Å; A246-I730 HydrophobicContact CB-CG1 3.97Å |
| 247 | V | 85.8 | Confident | 87.3 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.8 | -42.6 | 179.4 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | F181 L184 T243 S244 G245 G249 T250 I251 | F181-V247 HydrophobicContact CB-CG1 3.56Å; F181-V247 HydrophobicContact CD2-CB 3.86Å; F181-V247 HydrophobicContact CD2-CG1 3.37Å; F181-V247 HydrophobicContact CD2-CG2 4.34Å; F181-V247 HydrophobicContact CE2-CG1 4.38Å; F181-V247 HydrophobicContact CG-CG1 3.82Å; L184-V247 HydrophobicContact CD1-CG2 4.11Å; T243-V247 HydrophobicContact CG2-CG2 4.39Å; T243-V247 VanDerWaalsContact O-CG2 3.27Å; T243-V247 WeakPolarHBondContact O-CG2 3.38Å; T243-V247 PolarHBondContact O-N 3.39Å; S244-V247 PolarHBondContact O-N 2.96Å; G245-V247 VanDerWaalsContact C-N 3.35Å; G245-V247 PolarHBondContact O-N 3.35Å; V247-G249 VanDerWaalsContact C-N 3.27Å; V247-G249 PolarHBondContact O-N 3.22Å; V247-T250 PolarHBondContact O-N 2.95Å; V247-T250 VanDerWaalsContact O-N 3.11Å; V247-I251 HydrophobicContact CG1-CD1 4.14Å; V247-I251 HydrophobicContact CG1-CG1 4.48Å; V247-I251 WeakPolarHBondContact O-CG1 3.44Å; V247-I251 PolarHBondContact O-N 2.73Å |
| 248 | N | 83.2 | Confident | 87.2 | Confident | 60 Ų | 60 | 32.7 Ų | 32.7 | 32% | 0.321 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 174.4 | -168.4 | 45.6 | 0 | 0 | 0 | 111.7 | S244 G245 G252 | S244-N248 WeakPolarHBondContact O-CB 3.48Å; S244-N248 PolarHBondContact O-N 2.81Å; G245-N248 PolarHBondContact O-N 3.39Å; N248-G252 PolarHBondContact O-N 2.72Å |
| 249 | G | 88.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.8 | -50.4 | 169 | 0 | 0 | 0 | 0 | 0 | 112.1 | G245 A246 V247 I251 G252 L253 F726 | G245-G249 PolarHBondContact O-N 2.96Å; A246-G249 CarbonylContact O-C 3.37Å; A246-G249 PolarHBondContact O-N 3.36Å; V247-G249 VanDerWaalsContact C-N 3.27Å; V247-G249 PolarHBondContact O-N 3.22Å; G249-I251 PolarHBondContact O-N 2.74Å; G249-G252 PolarHBondContact O-N 3.25Å; G249-L253 PolarHBondContact O-N 2.87Å; G249-F726 VanDerWaalsContact C-CD2 3.43Å |
| 250 | T | 88.1 | Confident | 86.8 | Confident | 47 Ų | 47 | 25.6 Ų | 25.6 | 29% | 0.288 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.6 | -43.6 | -179.4 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | V177 A246 V247 G252 L253 T254 | V177-T250 HydrophobicContact CG1-CG2 3.85Å; V177-T250 HydrophobicContact CG2-CG2 3.93Å; A246-T250 PolarHBondContact O-N 3.43Å; A246-T250 PolarHBondContact O-OG1 3.04Å; V247-T250 PolarHBondContact O-N 2.95Å; V247-T250 VanDerWaalsContact O-N 3.11Å; T250-G252 VanDerWaalsContact C-N 3.32Å; T250-G252 PolarHBondContact O-N 3.03Å; T250-L253 PolarHBondContact O-N 2.87Å; T250-T254 WeakPolarHBondContact O-CB 3.37Å; T250-T254 PolarHBondContact O-N 3.02Å; T250-T254 PolarHBondContact O-OG1 2.79Å |
| 251 | I | 82.9 | Confident | 86.8 | Confident | 38 Ų | 38 | 27.5 Ų | 27.5 | 20% | 0.195 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.6 | -48.5 | 175.4 | -66.9 | 166.5 | 0 | 0 | 0 | 109.9 | V177 F178 V247 G249 T254 V255 | V177-I251 HydrophobicContact CG1-CG1 3.6Å; F178-I251 HydrophobicContact CD1-CD1 4.23Å; F178-I251 HydrophobicContact CE1-CD1 3.83Å; F178-I251 HydrophobicContact CZ-CD1 4.21Å; F178-I251 HydrophobicContact CZ-CG2 4.28Å; V247-I251 HydrophobicContact CG1-CD1 4.14Å; V247-I251 HydrophobicContact CG1-CG1 4.48Å; V247-I251 WeakPolarHBondContact O-CG1 3.44Å; V247-I251 PolarHBondContact O-N 2.73Å; G249-I251 PolarHBondContact O-N 2.74Å; I251-T254 PolarHBondContact O-N 2.85Å; I251-V255 WeakPolarHBondContact O-CG2 3.38Å; I251-V255 PolarHBondContact O-N 3.03Å; I251-V255 VanDerWaalsContact O-N 3.07Å |
| 252 | G | 82 | Confident | 86.8 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55 | -54.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N248 G249 T250 T254 V255 F256 | N248-G252 PolarHBondContact O-N 2.72Å; G249-G252 PolarHBondContact O-N 3.25Å; T250-G252 VanDerWaalsContact C-N 3.32Å; T250-G252 PolarHBondContact O-N 3.03Å; G252-T254 PolarHBondContact O-N 2.81Å; G252-V255 WeakPolarHBondContact O-CB 3.41Å; G252-V255 PolarHBondContact O-N 3.17Å; G252-V255 VanDerWaalsContact O-N 3.11Å; G252-F256 WeakPolarHBondContact O-CD2 3.32Å; G252-F256 PolarHBondContact O-N 2.96Å |
| 253 | L | 88.4 | Confident | 86.8 | Confident | 44 Ų | 44 | 24.2 Ų | 24.2 | 23% | 0.23 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.7 | -46.8 | -179.9 | -178.7 | 64 | 0 | 0 | 0 | 112.2 | G249 T250 V255 F256 C257 V723 F726 | G249-L253 PolarHBondContact O-N 2.87Å; T250-L253 PolarHBondContact O-N 2.87Å; L253-V255 VanDerWaalsContact C-N 3.28Å; L253-V255 PolarHBondContact O-N 2.84Å; L253-F256 PolarHBondContact O-N 3.38Å; L253-C257 WeakPolarHBondContact O-CB 3.47Å; L253-C257 PolarHBondContact O-N 2.7Å; L253-C257 PolarHBondContact O-SG 2.91Å; L253-V723 HydrophobicContact CD1-CG2 4.02Å; L253-F726 HydrophobicContact CB-CB 4.4Å; L253-F726 HydrophobicContact CD2-CD2 4.38Å; L253-F726 HydrophobicContact CD2-CG 4.48Å |
| 254 | T | 85.6 | Confident | 86.9 | Confident | 24 Ų | 24 | 28 Ų | 28 | 15% | 0.147 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -40.2 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | I173 I174 T250 I251 G252 S258 | I173-T254 HydrophobicContact CG2-CG2 4.08Å; I174-T254 HydrophobicContact CG1-CG2 3.68Å; T250-T254 WeakPolarHBondContact O-CB 3.37Å; T250-T254 PolarHBondContact O-N 3.02Å; T250-T254 PolarHBondContact O-OG1 2.79Å; I251-T254 PolarHBondContact O-N 2.85Å; G252-T254 PolarHBondContact O-N 2.81Å; T254-S258 VanDerWaalsContact O-CB 3.25Å; T254-S258 WeakPolarHBondContact O-CB 3.43Å; T254-S258 PolarHBondContact O-N 3.11Å; T254-S258 PolarHBondContact O-OG 2.9Å |
| 255 | V | 82.5 | Confident | 87.1 | Confident | 30 Ų | 30 | 29.4 Ų | 29.4 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 176 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | I251 G252 L253 S258 T259 L288 | I251-V255 WeakPolarHBondContact O-CG2 3.38Å; I251-V255 PolarHBondContact O-N 3.03Å; I251-V255 VanDerWaalsContact O-N 3.07Å; G252-V255 WeakPolarHBondContact O-CB 3.41Å; G252-V255 PolarHBondContact O-N 3.17Å; G252-V255 VanDerWaalsContact O-N 3.11Å; L253-V255 VanDerWaalsContact C-N 3.28Å; L253-V255 PolarHBondContact O-N 2.84Å; V255-S258 WeakPolarHBondContact CA-OG 3.39Å; V255-S258 PolarHBondContact O-N 3.45Å; V255-S258 PolarHBondContact O-OG 3.19Å; V255-T259 PolarHBondContact O-N 3.29Å; V255-T259 PolarHBondContact O-OG1 3.09Å; V255-L288 HydrophobicContact CG1-CD1 3.6Å |
| 256 | F | 86.7 | Confident | 87.2 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -45 | 177.3 | -74.4 | -80.9 | 0 | 0 | 0 | 112.7 | G252 L253 S258 T259 A260 F687 I721 G722 R725 | G252-F256 WeakPolarHBondContact O-CD2 3.32Å; G252-F256 PolarHBondContact O-N 2.96Å; L253-F256 PolarHBondContact O-N 3.38Å; F256-S258 VanDerWaalsContact C-N 3.34Å; F256-S258 PolarHBondContact O-N 2.78Å; F256-T259 WeakPolarHBondContact O-CB 3.26Å; F256-T259 PolarHBondContact O-N 3.08Å; F256-A260 PolarHBondContact O-N 3.25Å; F256-F687 AromaticContact CD1-CD2 3.57Å; F256-F687 HydrophobicContact CD1-CD2 3.57Å; F256-F687 AromaticContact CD1-CE2 3.96Å; F256-F687 HydrophobicContact CD1-CE2 3.96Å; F256-F687 HydrophobicContact CD1-CG 4.37Å; F256-F687 HydrophobicContact CE1-CB 3.65Å; F256-F687 AromaticContact CE1-CD2 3.22Å; F256-F687 HydrophobicContact CE1-CD2 3.22Å; F256-F687 HydrophobicContact CE1-CE2 4.01Å; F256-F687 AromaticContact CE1-CG 3.6Å; F256-F687 HydrophobicContact CE1-CG 3.6Å; F256-F687 HydrophobicContact CZ-CB 4.12Å; F256-F687 HydrophobicContact CZ-CD2 4.24Å; F256-F687 HydrophobicContact CZ-CG 4.25Å; F256-I721 HydrophobicContact CD1-CG2 4.46Å; F256-I721 HydrophobicContact CE1-CB 4.48Å; F256-I721 HydrophobicContact CE1-CG2 3.75Å; F256-I721 HydrophobicContact CZ-CG2 3.96Å; F256-G722 VanDerWaalsContact CD2-CA 3.47Å; F256-R725 HydrophobicContact CE2-CB 4.43Å |
| 257 | C | 87.8 | Confident | 87.2 | Confident | 38 Ų | 38 | 27.9 Ų | 27.9 | 26% | 0.257 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 176.3 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | L253 T259 A260 I261 L719 | L253-C257 WeakPolarHBondContact O-CB 3.47Å; L253-C257 PolarHBondContact O-N 2.7Å; L253-C257 PolarHBondContact O-SG 2.91Å; C257-T259 VanDerWaalsContact C-N 3.27Å; C257-T259 PolarHBondContact O-N 3.5Å; C257-A260 PolarHBondContact O-N 3.36Å; C257-I261 VanDerWaalsContact O-CG1 3.28Å; C257-I261 WeakPolarHBondContact O-CG1 3.25Å; C257-I261 PolarHBondContact O-N 3.43Å; C257-L719 HydrophobicContact CB-CD2 4.09Å; C257-L719 WeakPolarHBondContact SG-CD2 3.39Å |
| 258 | S | 86.8 | Confident | 87.4 | Confident | 10 Ų | 10 | 30.6 Ų | 30.6 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.2 | -39.9 | 177 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | T254 V255 F256 I261 L262 | T254-S258 VanDerWaalsContact O-CB 3.25Å; T254-S258 WeakPolarHBondContact O-CB 3.43Å; T254-S258 PolarHBondContact O-N 3.11Å; T254-S258 PolarHBondContact O-OG 2.9Å; V255-S258 WeakPolarHBondContact CA-OG 3.39Å; V255-S258 PolarHBondContact O-N 3.45Å; V255-S258 PolarHBondContact O-OG 3.19Å; F256-S258 VanDerWaalsContact C-N 3.34Å; F256-S258 PolarHBondContact O-N 2.78Å; S258-I261 PolarHBondContact O-N 3.29Å; S258-L262 WeakPolarHBondContact O-CB 3.42Å; S258-L262 VanDerWaalsContact O-CG 3.25Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 2.91Å |
| 259 | T | 85.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.2 | -47.7 | 178.6 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | V255 F256 C257 I261 L262 F263 F284 F687 M718 | V255-T259 PolarHBondContact O-N 3.29Å; V255-T259 PolarHBondContact O-OG1 3.09Å; F256-T259 WeakPolarHBondContact O-CB 3.26Å; F256-T259 PolarHBondContact O-N 3.08Å; C257-T259 VanDerWaalsContact C-N 3.27Å; C257-T259 PolarHBondContact O-N 3.5Å; T259-I261 VanDerWaalsContact C-N 3.35Å; T259-I261 PolarHBondContact O-N 2.62Å; T259-L262 PolarHBondContact O-N 3.39Å; T259-F263 HydrophobicContact CG2-CD2 3.56Å; T259-F263 HydrophobicContact CG2-CE2 3.51Å; T259-F263 VanDerWaalsContact O-CD2 3.27Å; T259-F263 WeakPolarHBondContact O-CD2 2.95Å; T259-F263 PolarHBondContact O-N 3.23Å; T259-F284 HydrophobicContact CG2-CD2 4.04Å; T259-F284 HydrophobicContact CG2-CE2 3.43Å; T259-F284 VanDerWaalsContact CG2-CE2 3.43Å; T259-F284 HydrophobicContact CG2-CZ 3.97Å; T259-F284 WeakPolarHBondContact OG1-CE2 3.2Å; T259-F687 HydrophobicContact CG2-CE2 3.88Å; T259-F687 HydrophobicContact CG2-CZ 3.97Å; T259-M718 HydrophobicContact CG2-CE 4.45Å; T259-M718 HydrophobicContact CG2-SD 4Å |
| 260 | A | 88.6 | Confident | 87.6 | Confident | 7 Ų | 7 | 28.4 Ų | 28.4 | 6% | 0.058 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F256 C257 W264 C715 L719 | F256-A260 PolarHBondContact O-N 3.25Å; C257-A260 PolarHBondContact O-N 3.36Å; A260-W264 WeakPolarHBondContact O-CB 3.44Å; A260-W264 PolarHBondContact O-N 2.6Å; A260-C715 HydrophobicContact CB-CB 4.15Å; A260-L719 HydrophobicContact CB-CD2 4.23Å; A260-L719 HydrophobicContact CB-CG 4.2Å |
| 261 | I | 89.9 | Confident | 87.4 | Confident | 88 Ų | 88 | 28.6 Ų | 28.6 | 45% | 0.451 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65 | -47 | 177.5 | -67.3 | 165.7 | 0 | 0 | 0 | 110.9 | V166 C257 S258 T259 W264 Y265 | V166-I261 HydrophobicContact CG1-CG2 4.04Å; C257-I261 VanDerWaalsContact O-CG1 3.28Å; C257-I261 WeakPolarHBondContact O-CG1 3.25Å; C257-I261 PolarHBondContact O-N 3.43Å; S258-I261 PolarHBondContact O-N 3.29Å; T259-I261 VanDerWaalsContact C-N 3.35Å; T259-I261 PolarHBondContact O-N 2.62Å; I261-W264 PolarHBondContact O-N 3.31Å; I261-Y265 WeakPolarHBondContact O-CB 3.43Å; I261-Y265 PolarHBondContact O-N 3.29Å |
| 262 | L | 89.7 | Confident | 87.5 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | -179.3 | -75.9 | 171.1 | 0 | 0 | 0 | 111.9 | L163 V166 A167 I170 S258 T259 G266 F284 V287 | L163-L262 HydrophobicContact CD1-CD2 4.07Å; L163-L262 HydrophobicContact CG-CD2 4.5Å; V166-L262 HydrophobicContact CG1-CD2 4.3Å; A167-L262 HydrophobicContact CB-CD2 3.84Å; I170-L262 HydrophobicContact CD1-CD1 4.33Å; I170-L262 HydrophobicContact CD1-CD2 4.27Å; I170-L262 HydrophobicContact CD1-CG 3.99Å; S258-L262 WeakPolarHBondContact O-CB 3.42Å; S258-L262 VanDerWaalsContact O-CG 3.25Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 2.91Å; T259-L262 PolarHBondContact O-N 3.39Å; L262-G266 WeakPolarHBondContact O-CA 3.29Å; L262-G266 PolarHBondContact O-N 2.89Å; L262-F284 HydrophobicContact CD1-CD2 4.41Å; L262-V287 HydrophobicContact CD1-CB 4.4Å; L262-V287 HydrophobicContact CD1-CG1 4.19Å |
| 263 | F | 89.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.8 | -47.2 | 176.3 | -80.5 | -63 | 0 | 0 | 0 | 112.1 | T259 Y265 G266 F267 I280 F284 Y691 M694 | T259-F263 HydrophobicContact CG2-CD2 3.56Å; T259-F263 HydrophobicContact CG2-CE2 3.51Å; T259-F263 VanDerWaalsContact O-CD2 3.27Å; T259-F263 WeakPolarHBondContact O-CD2 2.95Å; T259-F263 PolarHBondContact O-N 3.23Å; F263-Y265 VanDerWaalsContact C-N 3.33Å; F263-Y265 PolarHBondContact O-N 3.48Å; F263-G266 PolarHBondContact O-N 2.82Å; F263-G266 VanDerWaalsContact O-N 3.15Å; F263-F267 HydrophobicContact CD1-CE2 4.13Å; F263-F267 VanDerWaalsContact O-CD2 3.3Å; F263-F267 WeakPolarHBondContact O-CD2 3.47Å; F263-F267 PolarHBondContact O-N 3.32Å; F263-I280 HydrophobicContact CD1-CG2 3.91Å; F263-I280 HydrophobicContact CE1-CG2 4.03Å; F263-F284 HydrophobicContact CE2-CD1 4.37Å; F263-F284 HydrophobicContact CE2-CD2 4.21Å; F263-F284 HydrophobicContact CE2-CE2 4.45Å; F263-F284 HydrophobicContact CE2-CG 4.16Å; F263-F284 HydrophobicContact CZ-CB 4.48Å; F263-F284 HydrophobicContact CZ-CD1 4.14Å; F263-F284 HydrophobicContact CZ-CG 4.13Å; F263-Y691 AromaticContact CE2-CD2 3.86Å; F263-Y691 HydrophobicContact CE2-CD2 3.86Å; F263-Y691 HydrophobicContact CE2-CE2 4.17Å; F263-Y691 AromaticContact CZ-CD2 3.77Å; F263-Y691 HydrophobicContact CZ-CD2 3.77Å; F263-Y691 AromaticContact CZ-CE2 3.68Å; F263-Y691 HydrophobicContact CZ-CE2 3.68Å; F263-M694 HydrophobicContact CB-CE 4.16Å; F263-M694 HydrophobicContact CB-SD 4.31Å; F263-M694 HydrophobicContact CD1-CB 4.29Å; F263-M694 HydrophobicContact CD1-CG 4.02Å; F263-M694 HydrophobicContact CD1-SD 4.39Å; F263-M694 HydrophobicContact CD2-CE 4.25Å; F263-M694 HydrophobicContact CD2-CG 4.19Å; F263-M694 HydrophobicContact CE1-CB 4.08Å; F263-M694 HydrophobicContact CE1-CG 4.07Å; F263-M694 HydrophobicContact CE2-CG 4.23Å; F263-M694 HydrophobicContact CG-CE 4.22Å; F263-M694 HydrophobicContact CG-CG 4.09Å; F263-M694 HydrophobicContact CG-SD 4.21Å; F263-M694 HydrophobicContact CZ-CB 4.44Å; F263-M694 HydrophobicContact CZ-CG 4.18Å |
| 264 | W | 90.4 | Very high | 87.2 | Confident | 106 Ų | 106 | 40.6 Ų | 40.6 | 40% | 0.402 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.9 | -45.4 | -178.3 | -175.2 | 87.7 | 0 | 0 | 0 | 112.2 | A260 I261 K268 | A260-W264 WeakPolarHBondContact O-CB 3.44Å; A260-W264 PolarHBondContact O-N 2.6Å; I261-W264 PolarHBondContact O-N 3.31Å; W264-K268 HydrophobicContact CH2-CD 4.41Å; W264-K268 HydrophobicContact CZ3-CD 4.38Å; W264-K268 PolarHBondContact O-N 3.49Å |
| 265 | Y | 91 | Very high | 87.1 | Confident | 70 Ų | 70 | 40.9 Ų | 40.9 | 28% | 0.275 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.9 | -36.5 | 175.9 | -171.5 | -105.3 | 0 | 0 | 0 | 112.4 | L163 V166 I261 F263 K268 L269 | L163-Y265 HydrophobicContact CD1-CD1 3.79Å; V166-Y265 HydrophobicContact CB-CD1 4.34Å; V166-Y265 HydrophobicContact CG2-CD1 3.65Å; V166-Y265 HydrophobicContact CG2-CE1 3.55Å; V166-Y265 HydrophobicContact CG2-CG 4.32Å; I261-Y265 WeakPolarHBondContact O-CB 3.43Å; I261-Y265 PolarHBondContact O-N 3.29Å; F263-Y265 VanDerWaalsContact C-N 3.33Å; F263-Y265 PolarHBondContact O-N 3.48Å; Y265-K268 WeakPolarHBondContact O-CB 3.42Å; Y265-K268 PolarHBondContact O-N 3.5Å; Y265-L269 HydrophobicContact CD1-CD1 3.8Å; Y265-L269 HydrophobicContact CD1-CG 4.29Å; Y265-L269 HydrophobicContact CE1-CD1 3.5Å; Y265-L269 HydrophobicContact CE1-CD2 4.35Å; Y265-L269 HydrophobicContact CE1-CG 3.97Å; Y265-L269 PolarHBondContact O-N 2.95Å |
| 266 | G | 90.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.9 | -52.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L262 F263 K268 L269 I270 I280 | L262-G266 WeakPolarHBondContact O-CA 3.29Å; L262-G266 PolarHBondContact O-N 2.89Å; F263-G266 PolarHBondContact O-N 2.82Å; F263-G266 VanDerWaalsContact O-N 3.15Å; G266-K268 VanDerWaalsContact C-N 3.26Å; G266-K268 PolarHBondContact O-N 2.87Å; G266-L269 WeakPolarHBondContact O-CA 3.27Å; G266-L269 WeakPolarHBondContact O-CB 3.49Å; G266-L269 PolarHBondContact O-N 2.78Å; G266-I270 WeakPolarHBondContact O-CG1 3.18Å; G266-I270 PolarHBondContact O-N 3.18Å; G266-I280 VanDerWaalsContact C-CD1 3.42Å; G266-I280 WeakPolarHBondContact O-CD1 3.36Å |
| 267 | F | 89 | Confident | 87.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -33.8 | 176.5 | -85.9 | -80.9 | 0 | 0 | 0 | 112.9 | F263 L269 I270 V271 M694 I697 F698 L707 L711 | F263-F267 HydrophobicContact CD1-CE2 4.13Å; F263-F267 VanDerWaalsContact O-CD2 3.3Å; F263-F267 WeakPolarHBondContact O-CD2 3.47Å; F263-F267 PolarHBondContact O-N 3.32Å; F267-L269 VanDerWaalsContact C-N 3.3Å; F267-L269 PolarHBondContact O-N 3.46Å; F267-I270 HydrophobicContact CD1-CD1 3.75Å; F267-I270 HydrophobicContact CE1-CD1 4.06Å; F267-I270 HydrophobicContact CG-CD1 4.28Å; F267-I270 WeakPolarHBondContact O-CB 3.49Å; F267-I270 PolarHBondContact O-N 3.45Å; F267-V271 PolarHBondContact O-N 3.43Å; F267-M694 HydrophobicContact CE2-CB 4.34Å; F267-M694 HydrophobicContact CE2-SD 4.01Å; F267-I697 HydrophobicContact CD1-CG2 4.05Å; F267-I697 HydrophobicContact CE1-CB 3.85Å; F267-I697 HydrophobicContact CE1-CG2 3.49Å; F267-I697 VanDerWaalsContact CE1-CG2 3.49Å; F267-I697 HydrophobicContact CZ-CB 3.78Å; F267-I697 HydrophobicContact CZ-CG2 3.84Å; F267-F698 HydrophobicContact CD1-CD1 4.38Å; F267-F698 HydrophobicContact CD1-CE1 4.48Å; F267-F698 AromaticContact CE1-CD1 3.44Å; F267-F698 HydrophobicContact CE1-CD1 3.44Å; F267-F698 VanDerWaalsContact CE1-CD1 3.44Å; F267-F698 AromaticContact CE1-CE1 3.69Å; F267-F698 HydrophobicContact CE1-CE1 3.69Å; F267-F698 HydrophobicContact CE1-CG 4.24Å; F267-F698 HydrophobicContact CE2-CE1 4.06Å; F267-F698 HydrophobicContact CE2-CZ 4.45Å; F267-F698 AromaticContact CZ-CD1 3.57Å; F267-F698 HydrophobicContact CZ-CD1 3.57Å; F267-F698 AromaticContact CZ-CE1 3.43Å; F267-F698 HydrophobicContact CZ-CE1 3.43Å; F267-F698 VanDerWaalsContact CZ-CE1 3.43Å; F267-F698 HydrophobicContact CZ-CG 4.23Å; F267-F698 AromaticContact CZ-CZ 3.98Å; F267-F698 HydrophobicContact CZ-CZ 3.98Å; F267-L707 HydrophobicContact CB-CD2 4.26Å; F267-L707 HydrophobicContact CD1-CD1 4.27Å; F267-L707 HydrophobicContact CD1-CD2 4.02Å; F267-L707 HydrophobicContact CD1-CG 4.34Å; F267-L707 HydrophobicContact CG-CD2 4.47Å; F267-L711 HydrophobicContact CB-CD1 4.39Å; F267-L711 HydrophobicContact CB-CD2 3.39Å; F267-L711 HydrophobicContact CB-CG 4.49Å; F267-L711 HydrophobicContact CD2-CD1 3.4Å; F267-L711 VanDerWaalsContact CD2-CD1 3.4Å; F267-L711 HydrophobicContact CD2-CD2 4.07Å; F267-L711 HydrophobicContact CD2-CG 4.34Å; F267-L711 HydrophobicContact CE2-CD1 3.87Å; F267-L711 HydrophobicContact CG-CD1 4.01Å; F267-L711 HydrophobicContact CG-CD2 3.84Å |
| 268 | K | 88.9 | Confident | 87.1 | Confident | 67 Ų | 67 | 40.9 Ų | 40.9 | 29% | 0.291 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.6 | -35.5 | 172.3 | -173.9 | 177.3 | -179.2 | 175 | 0 | 112.5 | W264 Y265 G266 K272 F708 | W264-K268 HydrophobicContact CH2-CD 4.41Å; W264-K268 HydrophobicContact CZ3-CD 4.38Å; W264-K268 PolarHBondContact O-N 3.49Å; Y265-K268 WeakPolarHBondContact O-CB 3.42Å; Y265-K268 PolarHBondContact O-N 3.5Å; G266-K268 VanDerWaalsContact C-N 3.26Å; G266-K268 PolarHBondContact O-N 2.87Å; K268-K272 HydrophobicContact CG-CD 4.4Å; K268-K272 WeakPolarHBondContact O-CB 3.4Å; K268-K272 WeakPolarHBondContact O-CG 3.27Å; K268-K272 PolarHBondContact O-N 3.22Å; K268-F708 HydrophobicContact CB-CE1 4.23Å; K268-F708 HydrophobicContact CB-CZ 4.28Å; K268-F708 HydrophobicContact CG-CZ 4.46Å |
| 269 | L | 89.5 | Confident | 87.2 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.2 | -31.8 | 173.3 | -70.9 | 169.5 | 0 | 0 | 0 | 112.4 | K162 L163 Y265 G266 F267 V271 K272 E273 D274 Y275 | K162-L269 HydrophobicContact CB-CD1 4.26Å; K162-L269 HydrophobicContact CB-CD2 4.43Å; K162-L269 HydrophobicContact CD-CD2 4.19Å; L163-L269 HydrophobicContact CB-CD1 3.93Å; L163-L269 HydrophobicContact CD1-CD1 4.49Å; Y265-L269 HydrophobicContact CD1-CD1 3.8Å; Y265-L269 HydrophobicContact CD1-CG 4.29Å; Y265-L269 HydrophobicContact CE1-CD1 3.5Å; Y265-L269 HydrophobicContact CE1-CD2 4.35Å; Y265-L269 HydrophobicContact CE1-CG 3.97Å; Y265-L269 PolarHBondContact O-N 2.95Å; G266-L269 WeakPolarHBondContact O-CA 3.27Å; G266-L269 WeakPolarHBondContact O-CB 3.49Å; G266-L269 PolarHBondContact O-N 2.78Å; F267-L269 VanDerWaalsContact C-N 3.3Å; F267-L269 PolarHBondContact O-N 3.46Å; L269-V271 VanDerWaalsContact C-N 3.33Å; L269-V271 PolarHBondContact O-N 2.82Å; L269-K272 PolarHBondContact O-N 3.24Å; L269-E273 HydrophobicContact CD2-CG 4.37Å; L269-E273 CarbonylContact O-C 3.51Å; L269-E273 WeakPolarHBondContact O-CA 3.32Å; L269-E273 PolarHBondContact O-N 2.87Å; L269-D274 PolarHBondContact O-N 3.48Å; L269-Y275 HydrophobicContact CB-CD1 4.39Å; L269-Y275 HydrophobicContact CB-CD2 3.83Å; L269-Y275 HydrophobicContact CB-CE2 4.31Å; L269-Y275 HydrophobicContact CB-CG 3.86Å; L269-Y275 HydrophobicContact CD1-CD1 4.42Å; L269-Y275 HydrophobicContact CD1-CE1 4.19Å; L269-Y275 HydrophobicContact CD1-CE2 4.43Å; L269-Y275 HydrophobicContact CD2-CE2 4.34Å |
| 270 | I | 86.1 | Confident | 87.5 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.046 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -46.2 | 172.6 | -55.8 | 179.4 | 0 | 0 | 0 | 110.5 | G266 F267 D274 I280 F698 R701 | G266-I270 WeakPolarHBondContact O-CG1 3.18Å; G266-I270 PolarHBondContact O-N 3.18Å; F267-I270 HydrophobicContact CD1-CD1 3.75Å; F267-I270 HydrophobicContact CE1-CD1 4.06Å; F267-I270 HydrophobicContact CG-CD1 4.28Å; F267-I270 WeakPolarHBondContact O-CB 3.49Å; F267-I270 PolarHBondContact O-N 3.45Å; I270-D274 WeakPolarHBondContact O-CA 3.31Å; I270-D274 PolarHBondContact O-N 2.97Å; I270-I280 HydrophobicContact CD1-CD1 3.37Å; I270-I280 HydrophobicContact CG1-CD1 3.31Å; I270-F698 HydrophobicContact CD1-CD1 3.59Å; I270-F698 HydrophobicContact CD1-CE1 3.62Å; I270-R701 HydrophobicContact CG2-CG 4.48Å |
| 271 | V | 84.8 | Confident | 87.5 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 32% | 0.315 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -73.2 | -32.4 | -176.5 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | F267 L269 P704 L707 F708 | F267-V271 PolarHBondContact O-N 3.43Å; L269-V271 VanDerWaalsContact C-N 3.33Å; L269-V271 PolarHBondContact O-N 2.82Å; V271-P704 HydrophobicContact CG1-CB 4.42Å; V271-L707 HydrophobicContact CG2-CD1 4.43Å; V271-L707 HydrophobicContact CG2-CD2 4.49Å; V271-F708 HydrophobicContact CG1-CE2 4.49Å; V271-F708 HydrophobicContact CG2-CE2 4.11Å; V271-F708 HydrophobicContact CG2-CZ 4.26Å |
| 272 | K | 85.7 | Confident | 87.5 | Confident | 148 Ų | 148 | 36.2 Ų | 36.2 | 64% | 0.643 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -94.4 | -33.1 | -174.4 | -72.8 | -168 | 173.4 | -154.3 | 0 | 114.9 | K268 L269 | K268-K272 HydrophobicContact CG-CD 4.4Å; K268-K272 WeakPolarHBondContact O-CB 3.4Å; K268-K272 WeakPolarHBondContact O-CG 3.27Å; K268-K272 PolarHBondContact O-N 3.22Å; L269-K272 PolarHBondContact O-N 3.24Å |
| 273 | E | 82.8 | Confident | 87.6 | Confident | 82 Ų | 82 | 36.1 Ų | 36.1 | 38% | 0.383 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -134.4 | 14.2 | -167.1 | -59.4 | -173.9 | -168.2 | 0 | 0 | 112.2 | K162 L269 Y275 | K162-E273 VanDerWaalsContact CD-OE2 3.23Å; K162-E273 WeakPolarHBondContact CD-OE2 3.22Å; K162-E273 WeakPolarHBondContact CE-OE2 3.26Å; K162-E273 IonicContact NZ-OE1 2.61Å; K162-E273 PolarHBondContact NZ-OE1 2.92Å; K162-E273 IonicContact NZ-OE2 2.68Å; K162-E273 PolarHBondContact NZ-OE2 3.04Å; L269-E273 HydrophobicContact CD2-CG 4.37Å; L269-E273 CarbonylContact O-C 3.51Å; L269-E273 WeakPolarHBondContact O-CA 3.32Å; L269-E273 PolarHBondContact O-N 2.87Å; E273-Y275 HydrophobicContact CB-CD2 3.9Å; E273-Y275 HydrophobicContact CB-CE2 4.12Å; E273-Y275 PolarHBondContact O-N 3.34Å; E273-Y275 VanDerWaalsContact O-N 3.12Å |
| 274 | D | 80.5 | Confident | 87.5 | Confident | 109 Ų | 109 | 36.4 Ų | 36.4 | 58% | 0.583 | 17% | 0.171 | S | C | * | . | trans | 51.8 | 37.6 | 177.7 | -69.2 | -5.1 | 0 | 0 | 0 | 113.6 | L269 I270 R701 | L269-D274 PolarHBondContact O-N 3.48Å; I270-D274 WeakPolarHBondContact O-CA 3.31Å; I270-D274 PolarHBondContact O-N 2.97Å; D274-R701 IonicContact OD1-CZ 2.93Å; D274-R701 IonicContact OD1-NH2 3.05Å; D274-R701 PolarHBondContact OD1-NH2 2.96Å; D274-R701 IonicContact OD2-NH2 3.02Å; D274-R701 PolarHBondContact OD2-NH2 3.39Å; D274-R701 VanDerWaalsContact OD2-NH2 3.11Å | ||
| 275 | Y | 84.4 | Confident | 87.3 | Confident | 30 Ų | 30 | 32.3 Ų | 32.3 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | trans | -58.6 | 140.9 | 170.2 | -93.7 | -118.8 | 0 | 0 | 0 | 110.5 | L163 L269 E273 | L163-Y275 HydrophobicContact CB-CE1 4.46Å; L269-Y275 HydrophobicContact CB-CD1 4.39Å; L269-Y275 HydrophobicContact CB-CD2 3.83Å; L269-Y275 HydrophobicContact CB-CE2 4.31Å; L269-Y275 HydrophobicContact CB-CG 3.86Å; L269-Y275 HydrophobicContact CD1-CD1 4.42Å; L269-Y275 HydrophobicContact CD1-CE1 4.19Å; L269-Y275 HydrophobicContact CD1-CE2 4.43Å; L269-Y275 HydrophobicContact CD2-CE2 4.34Å; E273-Y275 HydrophobicContact CB-CD2 3.9Å; E273-Y275 HydrophobicContact CB-CE2 4.12Å; E273-Y275 PolarHBondContact O-N 3.34Å; E273-Y275 VanDerWaalsContact O-N 3.12Å | ||
| 276 | D | 84.7 | Confident | 87.2 | Confident | 61 Ų | 61 | 29.3 Ų | 29.3 | 33% | 0.326 | 15% | 0.146 | S | C | . | . | trans | -76.5 | 145.6 | 178.5 | 173.7 | 39.5 | 0 | 0 | 0 | 112.2 | N48 A279 I280 | N48-D276 VanDerWaalsContact CG-CG 3.48Å; N48-D276 VanDerWaalsContact ND2-CG 3.3Å; N48-D276 PolarHBondContact ND2-OD1 3.39Å; N48-D276 PolarHBondContact ND2-OD2 2.92Å; N48-D276 VanDerWaalsContact OD1-CG 3.23Å; N48-D276 PolarHBondContact OD1-OD1 3.01Å; N48-D276 PolarHBondContact OD1-OD2 3.32Å; D276-A279 HydrophobicContact CB-CB 4.06Å; D276-A279 WeakPolarHBondContact O-CB 3.25Å; D276-A279 PolarHBondContact O-N 3.47Å; D276-I280 PolarHBondContact O-N 2.97Å | ||
| 277 | A | 84.8 | Confident | 87 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A279 I280 V281 F698 | A277-A279 VanDerWaalsContact C-N 3.25Å; A277-A279 PolarHBondContact O-N 3Å; A277-I280 PolarHBondContact O-N 3.04Å; A277-V281 PolarHBondContact O-N 2.95Å; A277-F698 HydrophobicContact CB-CB 4.07Å; A277-F698 HydrophobicContact CB-CD1 3.45Å; A277-F698 VanDerWaalsContact CB-CD1 3.45Å; A277-F698 HydrophobicContact CB-CD2 3.73Å; A277-F698 HydrophobicContact CB-CE1 3.68Å; A277-F698 HydrophobicContact CB-CE2 3.97Å; A277-F698 HydrophobicContact CB-CG 3.5Å; A277-F698 VanDerWaalsContact CB-CG 3.5Å; A277-F698 HydrophobicContact CB-CZ 3.94Å |
| 278 | G | 86.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.2 | -35 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | N48 I280 V281 T282 | N48-G278 WeakPolarHBondContact OD1-CA 3.16Å; N48-G278 PolarHBondContact OD1-N 3.21Å; G278-I280 VanDerWaalsContact C-N 3.33Å; G278-I280 PolarHBondContact O-N 2.93Å; G278-V281 PolarHBondContact O-N 3.01Å; G278-T282 WeakPolarHBondContact O-CB 3.29Å; G278-T282 PolarHBondContact O-N 3.25Å; G278-T282 PolarHBondContact O-OG1 3.22Å |
| 279 | A | 89 | Confident | 86.4 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V159 D276 A277 T282 I283 | V159-A279 HydrophobicContact CG1-CB 3.43Å; V159-A279 VanDerWaalsContact CG1-CB 3.43Å; D276-A279 HydrophobicContact CB-CB 4.06Å; D276-A279 WeakPolarHBondContact O-CB 3.25Å; D276-A279 PolarHBondContact O-N 3.47Å; A277-A279 VanDerWaalsContact C-N 3.25Å; A277-A279 PolarHBondContact O-N 3Å; A279-T282 PolarHBondContact O-N 3.1Å; A279-I283 WeakPolarHBondContact O-CG1 3.32Å; A279-I283 PolarHBondContact O-N 3.33Å |
| 280 | I | 90.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.5 | -44.7 | 177.4 | -66.4 | 159.6 | 0 | 0 | 0 | 110.9 | L163 F263 G266 I270 D276 A277 G278 T282 I283 F284 F698 | L163-I280 HydrophobicContact CD2-CB 4.17Å; L163-I280 HydrophobicContact CD2-CG1 3.81Å; L163-I280 HydrophobicContact CD2-CG2 4.18Å; F263-I280 HydrophobicContact CD1-CG2 3.91Å; F263-I280 HydrophobicContact CE1-CG2 4.03Å; G266-I280 VanDerWaalsContact C-CD1 3.42Å; G266-I280 WeakPolarHBondContact O-CD1 3.36Å; I270-I280 HydrophobicContact CD1-CD1 3.37Å; I270-I280 HydrophobicContact CG1-CD1 3.31Å; D276-I280 PolarHBondContact O-N 2.97Å; A277-I280 PolarHBondContact O-N 3.04Å; G278-I280 VanDerWaalsContact C-N 3.33Å; G278-I280 PolarHBondContact O-N 2.93Å; I280-T282 VanDerWaalsContact C-N 3.34Å; I280-T282 PolarHBondContact O-N 3.12Å; I280-I283 PolarHBondContact O-N 2.98Å; I280-F284 WeakPolarHBondContact O-CB 3.49Å; I280-F284 PolarHBondContact O-N 2.92Å; I280-F698 HydrophobicContact CD1-CE1 4.34Å |
| 281 | V | 88.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.8 | -43.8 | 178.1 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | L43 V47 A277 G278 F284 V285 Y695 F698 | L43-V281 HydrophobicContact CD2-CG1 4.33Å; V47-V281 HydrophobicContact CG1-CG2 4.39Å; V47-V281 HydrophobicContact CG2-CG1 4.38Å; A277-V281 PolarHBondContact O-N 2.95Å; G278-V281 PolarHBondContact O-N 3.01Å; V281-F284 PolarHBondContact O-N 3.09Å; V281-V285 HydrophobicContact CG1-CG2 4.23Å; V281-V285 WeakPolarHBondContact O-CB 3.25Å; V281-V285 VanDerWaalsContact O-CG2 3.28Å; V281-V285 WeakPolarHBondContact O-CG2 3.16Å; V281-V285 PolarHBondContact O-N 2.92Å; V281-Y695 HydrophobicContact CG1-CE1 4.43Å; V281-Y695 WeakPolarHBondContact CG1-OH 3.28Å; V281-Y695 HydrophobicContact CG2-CE1 3.71Å; V281-F698 HydrophobicContact CG2-CE2 4.14Å; V281-F698 HydrophobicContact CG2-CZ 4.1Å |
| 282 | T | 90.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -49.2 | 178.6 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | S40 L41 R44 I155 G278 A279 I280 F284 V285 N286 | S40-T282 PolarHBondContact O-OG1 2.85Å; S40-T282 WeakPolarHBondContact OG-CA 3.43Å; S40-T282 WeakPolarHBondContact OG-CG2 3.48Å; S40-T282 PolarHBondContact OG-O 3.14Å; L41-T282 HydrophobicContact CD2-CG2 4.4Å; R44-T282 WeakPolarHBondContact CB-OG1 3.49Å; R44-T282 WeakPolarHBondContact CG-OG1 3.29Å; I155-T282 HydrophobicContact CG2-CG2 4.29Å; G278-T282 WeakPolarHBondContact O-CB 3.29Å; G278-T282 PolarHBondContact O-N 3.25Å; G278-T282 PolarHBondContact O-OG1 3.22Å; A279-T282 PolarHBondContact O-N 3.1Å; I280-T282 VanDerWaalsContact C-N 3.34Å; I280-T282 PolarHBondContact O-N 3.12Å; T282-F284 VanDerWaalsContact C-N 3.35Å; T282-F284 PolarHBondContact O-N 3.01Å; T282-V285 PolarHBondContact O-N 3.48Å; T282-N286 VanDerWaalsContact O-CB 3.31Å; T282-N286 WeakPolarHBondContact O-CB 3.45Å; T282-N286 VanDerWaalsContact O-CG 3.3Å; T282-N286 PolarHBondContact O-N 3.49Å; T282-N286 PolarHBondContact O-ND2 2.95Å |
| 283 | I | 90.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 179.3 | -68.6 | 169.3 | 0 | 0 | 0 | 110.2 | N156 V159 L163 A167 A279 I280 V287 | N156-I283 HydrophobicContact CB-CG1 4.18Å; N156-I283 WeakPolarHBondContact OD1-CA 3.15Å; V159-I283 HydrophobicContact CG1-CD1 4.37Å; L163-I283 HydrophobicContact CB-CD1 3.93Å; L163-I283 HydrophobicContact CD2-CB 4.12Å; L163-I283 HydrophobicContact CD2-CD1 3.9Å; L163-I283 HydrophobicContact CD2-CG2 4.13Å; L163-I283 HydrophobicContact CG-CD1 4.17Å; L163-I283 HydrophobicContact CG-CG2 3.99Å; A167-I283 HydrophobicContact CB-CG2 4.16Å; A279-I283 WeakPolarHBondContact O-CG1 3.32Å; A279-I283 PolarHBondContact O-N 3.33Å; I280-I283 PolarHBondContact O-N 2.98Å; I283-V287 HydrophobicContact CG2-CG2 4.37Å; I283-V287 WeakPolarHBondContact O-CB 3.37Å; I283-V287 WeakPolarHBondContact O-CG2 3.39Å; I283-V287 PolarHBondContact O-N 2.97Å |
| 284 | F | 87.7 | Confident | 85.7 | Confident | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.1 | -52.3 | 175.7 | 163.3 | -101.7 | 0 | 0 | 0 | 112.6 | T259 L262 F263 I280 V281 T282 N286 V287 L288 F687 Y691 | T259-F284 HydrophobicContact CG2-CD2 4.04Å; T259-F284 HydrophobicContact CG2-CE2 3.43Å; T259-F284 VanDerWaalsContact CG2-CE2 3.43Å; T259-F284 HydrophobicContact CG2-CZ 3.97Å; T259-F284 WeakPolarHBondContact OG1-CE2 3.2Å; L262-F284 HydrophobicContact CD1-CD2 4.41Å; F263-F284 HydrophobicContact CE2-CD1 4.37Å; F263-F284 HydrophobicContact CE2-CD2 4.21Å; F263-F284 HydrophobicContact CE2-CE2 4.45Å; F263-F284 HydrophobicContact CE2-CG 4.16Å; F263-F284 HydrophobicContact CZ-CB 4.48Å; F263-F284 HydrophobicContact CZ-CD1 4.14Å; F263-F284 HydrophobicContact CZ-CG 4.13Å; I280-F284 WeakPolarHBondContact O-CB 3.49Å; I280-F284 PolarHBondContact O-N 2.92Å; V281-F284 PolarHBondContact O-N 3.09Å; T282-F284 VanDerWaalsContact C-N 3.35Å; T282-F284 PolarHBondContact O-N 3.01Å; F284-N286 VanDerWaalsContact C-N 3.32Å; F284-N286 PolarHBondContact O-N 3.28Å; F284-V287 PolarHBondContact O-N 3.1Å; F284-L288 HydrophobicContact CE1-CD2 4.41Å; F284-L288 HydrophobicContact CZ-CD2 3.94Å; F284-L288 WeakPolarHBondContact O-CB 3.36Å; F284-L288 PolarHBondContact O-N 3.08Å; F284-F687 HydrophobicContact CZ-CZ 4.06Å; F284-Y691 HydrophobicContact CD1-CD2 4.29Å; F284-Y691 AromaticContact CD1-CE2 3.48Å; F284-Y691 HydrophobicContact CD1-CE2 3.48Å; F284-Y691 VanDerWaalsContact CD1-CE2 3.48Å; F284-Y691 AromaticContact CE1-CD2 3.69Å; F284-Y691 HydrophobicContact CE1-CD2 3.69Å; F284-Y691 AromaticContact CE1-CE2 3.17Å; F284-Y691 HydrophobicContact CE1-CE2 3.17Å; F284-Y691 AromaticContact CE1-CZ 3.88Å; F284-Y691 HydrophobicContact CZ-CD2 4.2Å; F284-Y691 HydrophobicContact CZ-CE2 4.11Å |
| 285 | V | 87.2 | Confident | 85.5 | Confident | 20 Ų | 20 | 18.8 Ų | 18.8 | 12% | 0.121 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | -178.1 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | L43 V281 T282 V287 L288 L289 | L43-V285 HydrophobicContact CD2-CG2 4.39Å; V281-V285 HydrophobicContact CG1-CG2 4.23Å; V281-V285 WeakPolarHBondContact O-CB 3.25Å; V281-V285 VanDerWaalsContact O-CG2 3.28Å; V281-V285 WeakPolarHBondContact O-CG2 3.16Å; V281-V285 PolarHBondContact O-N 2.92Å; T282-V285 PolarHBondContact O-N 3.48Å; V285-V287 PolarHBondContact O-N 2.98Å; V285-L288 PolarHBondContact O-N 3.3Å; V285-L289 HydrophobicContact CG1-CD1 3.69Å; V285-L289 HydrophobicContact CG1-CG 4.32Å; V285-L289 WeakPolarHBondContact O-CB 3.33Å; V285-L289 WeakPolarHBondContact O-CG 3.46Å; V285-L289 PolarHBondContact O-N 3.15Å |
| 286 | N | 88.8 | Confident | 85.2 | Confident | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.3 | -35.6 | 178 | -76.6 | -13.1 | 0 | 0 | 0 | 112.8 | S40 I155 N156 T282 F284 G290 | S40-N286 WeakPolarHBondContact CB-OD1 3.36Å; S40-N286 PolarHBondContact OG-OD1 3.36Å; S40-N286 VanDerWaalsContact OG-OD1 3.1Å; I155-N286 WeakPolarHBondContact CG2-ND2 3.44Å; N156-N286 WeakPolarHBondContact OD1-CB 3.45Å; N156-N286 PolarHBondContact OD1-ND2 3.46Å; T282-N286 VanDerWaalsContact O-CB 3.31Å; T282-N286 WeakPolarHBondContact O-CB 3.45Å; T282-N286 VanDerWaalsContact O-CG 3.3Å; T282-N286 PolarHBondContact O-N 3.49Å; T282-N286 PolarHBondContact O-ND2 2.95Å; F284-N286 VanDerWaalsContact C-N 3.32Å; F284-N286 PolarHBondContact O-N 3.28Å; N286-G290 VanDerWaalsContact O-CA 3.27Å; N286-G290 WeakPolarHBondContact O-CA 3.34Å; N286-G290 PolarHBondContact O-N 3.33Å |
| 287 | V | 86.1 | Confident | 85.1 | Confident | 11 Ų | 11 | 18.3 Ų | 18.3 | 7% | 0.067 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.8 | -43.6 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | A167 L262 I283 F284 V285 S291 | A167-V287 HydrophobicContact CB-CG2 3.33Å; L262-V287 HydrophobicContact CD1-CB 4.4Å; L262-V287 HydrophobicContact CD1-CG1 4.19Å; I283-V287 HydrophobicContact CG2-CG2 4.37Å; I283-V287 WeakPolarHBondContact O-CB 3.37Å; I283-V287 WeakPolarHBondContact O-CG2 3.39Å; I283-V287 PolarHBondContact O-N 2.97Å; F284-V287 PolarHBondContact O-N 3.1Å; V285-V287 PolarHBondContact O-N 2.98Å; V287-S291 WeakPolarHBondContact O-CB 3.46Å; V287-S291 PolarHBondContact O-N 3.33Å |
| 288 | L | 82.5 | Confident | 84.8 | Confident | 49 Ų | 49 | 22.8 Ų | 22.8 | 26% | 0.257 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.2 | -53.8 | 177.5 | -178.5 | 66.1 | 0 | 0 | 0 | 110.7 | V255 F284 V285 S291 V292 | V255-L288 HydrophobicContact CG1-CD1 3.6Å; F284-L288 HydrophobicContact CE1-CD2 4.41Å; F284-L288 HydrophobicContact CZ-CD2 3.94Å; F284-L288 WeakPolarHBondContact O-CB 3.36Å; F284-L288 PolarHBondContact O-N 3.08Å; V285-L288 PolarHBondContact O-N 3.3Å; L288-S291 PolarHBondContact O-N 2.61Å; L288-S291 PolarHBondContact O-OG 3.33Å; L288-V292 PolarHBondContact O-N 3.39Å |
| 289 | L | 83.6 | Confident | 84.3 | Confident | 48 Ų | 48 | 26.8 Ų | 26.8 | 25% | 0.251 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68.2 | -37.8 | 179.8 | -65.1 | 177 | 0 | 0 | 0 | 111.9 | I36 V285 S291 V292 F293 | I36-L289 HydrophobicContact CG2-CD1 3.51Å; V285-L289 HydrophobicContact CG1-CD1 3.69Å; V285-L289 HydrophobicContact CG1-CG 4.32Å; V285-L289 WeakPolarHBondContact O-CB 3.33Å; V285-L289 WeakPolarHBondContact O-CG 3.46Å; V285-L289 PolarHBondContact O-N 3.15Å; L289-S291 VanDerWaalsContact C-N 3.31Å; L289-S291 PolarHBondContact O-N 2.93Å; L289-V292 WeakPolarHBondContact O-CB 3.46Å; L289-V292 PolarHBondContact O-N 3.5Å; L289-V292 VanDerWaalsContact O-N 3.13Å; L289-F293 HydrophobicContact CB-CE2 4.35Å; L289-F293 HydrophobicContact CB-CZ 4.46Å; L289-F293 WeakPolarHBondContact O-CD2 3.3Å; L289-F293 WeakPolarHBondContact O-CG 3.48Å; L289-F293 PolarHBondContact O-N 3.4Å |
| 290 | G | 84.1 | Confident | 83.8 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F149 N286 V292 F293 L294 | F149-G290 WeakPolarHBondContact CD2-O 3.34Å; N286-G290 VanDerWaalsContact O-CA 3.27Å; N286-G290 WeakPolarHBondContact O-CA 3.34Å; N286-G290 PolarHBondContact O-N 3.33Å; G290-V292 VanDerWaalsContact C-N 3.33Å; G290-V292 PolarHBondContact O-N 3.21Å; G290-F293 PolarHBondContact O-N 2.9Å; G290-L294 WeakPolarHBondContact O-CB 3.49Å; G290-L294 PolarHBondContact O-N 3.21Å |
| 291 | S | 80.6 | Confident | 83.3 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 8% | 0.077 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | 174.5 | 77.8 | 0 | 0 | 0 | 0 | 112.4 | V287 L288 L289 G295 | V287-S291 WeakPolarHBondContact O-CB 3.46Å; V287-S291 PolarHBondContact O-N 3.33Å; L288-S291 PolarHBondContact O-N 2.61Å; L288-S291 PolarHBondContact O-OG 3.33Å; L289-S291 VanDerWaalsContact C-N 3.31Å; L289-S291 PolarHBondContact O-N 2.93Å; S291-G295 PolarHBondContact O-N 3.15Å |
| 292 | V | 80.2 | Confident | 83 | Confident | 47 Ų | 47 | 37.4 Ų | 37.4 | 29% | 0.285 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.5 | -42.3 | 175.6 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | L288 L289 G290 G295 N296 | L288-V292 PolarHBondContact O-N 3.39Å; L289-V292 WeakPolarHBondContact O-CB 3.46Å; L289-V292 PolarHBondContact O-N 3.5Å; L289-V292 VanDerWaalsContact O-N 3.13Å; G290-V292 VanDerWaalsContact C-N 3.33Å; G290-V292 PolarHBondContact O-N 3.21Å; V292-G295 PolarHBondContact O-N 3.03Å; V292-N296 VanDerWaalsContact O-CG 3.32Å; V292-N296 PolarHBondContact O-N 3.44Å; V292-N296 PolarHBondContact O-ND2 2.72Å |
| 293 | F | 86.5 | Confident | 82.6 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 10% | 0.096 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 175.7 | -66.1 | -29 | 0 | 0 | 0 | 112 | I36 N145 F149 L289 G290 G295 N296 A297 | I36-F293 HydrophobicContact CB-CE2 4.43Å; I36-F293 HydrophobicContact CB-CZ 4Å; I36-F293 HydrophobicContact CD1-CE1 3.98Å; I36-F293 HydrophobicContact CD1-CZ 3.49Å; I36-F293 VanDerWaalsContact CD1-CZ 3.49Å; I36-F293 HydrophobicContact CG1-CZ 4.33Å; I36-F293 HydrophobicContact CG2-CE2 4.24Å; I36-F293 HydrophobicContact CG2-CZ 3.84Å; N145-F293 HydrophobicContact CB-CB 4.13Å; N145-F293 WeakPolarHBondContact O-CB 3.25Å; N145-F293 WeakPolarHBondContact OD1-CD1 3.42Å; F149-F293 HydrophobicContact CB-CB 4.32Å; L289-F293 HydrophobicContact CB-CE2 4.35Å; L289-F293 HydrophobicContact CB-CZ 4.46Å; L289-F293 WeakPolarHBondContact O-CD2 3.3Å; L289-F293 WeakPolarHBondContact O-CG 3.48Å; L289-F293 PolarHBondContact O-N 3.4Å; G290-F293 PolarHBondContact O-N 2.9Å; F293-G295 VanDerWaalsContact C-N 3.32Å; F293-G295 PolarHBondContact O-N 3.27Å; F293-N296 PolarHBondContact O-N 2.83Å; F293-A297 VanDerWaalsContact O-CB 3.31Å; F293-A297 WeakPolarHBondContact O-CB 3.45Å; F293-A297 PolarHBondContact O-N 3.25Å |
| 294 | L | 81.7 | Confident | 82.4 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.8 | -172.2 | 63 | 0 | 0 | 0 | 111.1 | F149 G290 N296 A297 L298 | F149-L294 HydrophobicContact CD2-CB 4.21Å; F149-L294 HydrophobicContact CE1-CD1 4.44Å; F149-L294 HydrophobicContact CE2-CB 4.28Å; F149-L294 HydrophobicContact CE2-CD2 4.14Å; F149-L294 HydrophobicContact CZ-CD2 4.04Å; G290-L294 WeakPolarHBondContact O-CB 3.49Å; G290-L294 PolarHBondContact O-N 3.21Å; L294-N296 VanDerWaalsContact C-N 3.29Å; L294-N296 PolarHBondContact O-N 3.45Å; L294-A297 PolarHBondContact O-N 2.92Å; L294-L298 HydrophobicContact CD1-CD1 4.48Å; L294-L298 HydrophobicContact CD1-CG 4.37Å; L294-L298 HydrophobicContact CG-CD1 4.26Å; L294-L298 WeakPolarHBondContact O-CG 3.47Å; L294-L298 PolarHBondContact O-N 3.36Å; L294-L298 VanDerWaalsContact O-N 3.13Å |
| 295 | G | 76.4 | Confident | 82.3 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 13% | 0.134 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.4 | -30.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S291 V292 F293 P299 | S291-G295 PolarHBondContact O-N 3.15Å; V292-G295 PolarHBondContact O-N 3.03Å; F293-G295 VanDerWaalsContact C-N 3.32Å; F293-G295 PolarHBondContact O-N 3.27Å; G295-P299 WeakPolarHBondContact O-CD 3.38Å; G295-P299 WeakPolarHBondContact O-CG 3.48Å |
| 296 | N | 78.2 | Confident | 82.2 | Confident | 76 Ų | 76 | 50 Ų | 50 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -86.2 | -31.1 | 175.8 | -69.2 | -19.4 | 0 | 0 | 0 | 113 | V292 F293 L294 S300 | V292-N296 VanDerWaalsContact O-CG 3.32Å; V292-N296 PolarHBondContact O-N 3.44Å; V292-N296 PolarHBondContact O-ND2 2.72Å; F293-N296 PolarHBondContact O-N 2.83Å; L294-N296 VanDerWaalsContact C-N 3.29Å; L294-N296 PolarHBondContact O-N 3.45Å; N296-S300 PolarHBondContact O-OG 3.31Å |
| 297 | A | 82.7 | Confident | 82.1 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.8 | -40.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F142 N145 F293 L294 S300 | F142-A297 HydrophobicContact CD2-CB 3.94Å; F142-A297 WeakPolarHBondContact CD2-O 3.25Å; F142-A297 HydrophobicContact CE2-CB 4.12Å; N145-A297 HydrophobicContact CB-CB 4.06Å; F293-A297 VanDerWaalsContact O-CB 3.31Å; F293-A297 WeakPolarHBondContact O-CB 3.45Å; F293-A297 PolarHBondContact O-N 3.25Å; L294-A297 PolarHBondContact O-N 2.92Å; A297-S300 VanDerWaalsContact O-CB 3.3Å; A297-S300 WeakPolarHBondContact O-CB 3.21Å; A297-S300 PolarHBondContact O-N 3.48Å |
| 298 | L | 79.4 | Confident | 82.1 | Confident | 106 Ų | 106 | 52.6 Ų | 52.6 | 56% | 0.555 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.7 | -48.5 | -175.5 | -71.3 | 171 | 0 | 0 | 0 | 113.6 | L294 S300 F301 | L294-L298 HydrophobicContact CD1-CD1 4.48Å; L294-L298 HydrophobicContact CD1-CG 4.37Å; L294-L298 HydrophobicContact CG-CD1 4.26Å; L294-L298 WeakPolarHBondContact O-CG 3.47Å; L294-L298 PolarHBondContact O-N 3.36Å; L294-L298 VanDerWaalsContact O-N 3.13Å; L298-S300 PolarHBondContact O-N 3.42Å; L298-F301 VanDerWaalsContact O-CB 3.3Å; L298-F301 WeakPolarHBondContact O-CB 3.47Å; L298-F301 PolarHBondContact O-N 2.85Å |
| 299 | P | 75.2 | Confident | 82.3 | Confident | 83 Ų | 83 | 53.3 Ų | 53.3 | 54% | 0.539 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -28.1 | 176.3 | -23.3 | 34.7 | 0 | 0 | 0 | 113.3 | G295 F301 Q302 | G295-P299 WeakPolarHBondContact O-CD 3.38Å; G295-P299 WeakPolarHBondContact O-CG 3.48Å; P299-F301 PolarHBondContact O-N 3.09Å; P299-F301 VanDerWaalsContact O-N 3.17Å; P299-Q302 WeakPolarHBondContact O-CB 3.48Å; P299-Q302 PolarHBondContact O-N 2.83Å |
| 300 | S | 78.5 | Confident | 82.5 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -25.2 | 178.8 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | N296 A297 L298 Q302 Y303 | N296-S300 PolarHBondContact O-OG 3.31Å; A297-S300 VanDerWaalsContact O-CB 3.3Å; A297-S300 WeakPolarHBondContact O-CB 3.21Å; A297-S300 PolarHBondContact O-N 3.48Å; L298-S300 PolarHBondContact O-N 3.42Å; S300-Q302 VanDerWaalsContact C-N 3.25Å; S300-Q302 PolarHBondContact O-N 3.05Å; S300-Y303 PolarHBondContact O-N 3.41Å |
| 301 | F | 79.1 | Confident | 82.7 | Confident | 116 Ų | 116 | 51.3 Ų | 51.3 | 51% | 0.509 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -31.8 | 178.4 | -163.7 | -100.5 | 0 | 0 | 0 | 113.6 | L298 P299 Y303 F304 M305 | L298-F301 VanDerWaalsContact O-CB 3.3Å; L298-F301 WeakPolarHBondContact O-CB 3.47Å; L298-F301 PolarHBondContact O-N 2.85Å; P299-F301 PolarHBondContact O-N 3.09Å; P299-F301 VanDerWaalsContact O-N 3.17Å; F301-Y303 VanDerWaalsContact C-N 3.26Å; F301-Y303 PolarHBondContact O-N 3.21Å; F301-F304 HydrophobicContact CD2-CD2 4.26Å; F301-F304 PolarHBondContact O-N 3.18Å; F301-M305 HydrophobicContact CD1-CG 3.97Å; F301-M305 HydrophobicContact CD1-SD 4.46Å; F301-M305 HydrophobicContact CE1-CG 3.75Å; F301-M305 HydrophobicContact CE1-SD 3.9Å; F301-M305 PolarHBondContact O-N 2.84Å |
| 302 | Q | 82.4 | Confident | 82.9 | Confident | 98 Ų | 98 | 53.5 Ų | 53.5 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.3 | -34.9 | 178.4 | -175.1 | 62.6 | 50.2 | 0 | 0 | 111.9 | P299 S300 F304 M305 N306 | P299-Q302 WeakPolarHBondContact O-CB 3.48Å; P299-Q302 PolarHBondContact O-N 2.83Å; S300-Q302 VanDerWaalsContact C-N 3.25Å; S300-Q302 PolarHBondContact O-N 3.05Å; Q302-F304 VanDerWaalsContact C-N 3.35Å; Q302-F304 PolarHBondContact O-N 2.79Å; Q302-M305 PolarHBondContact O-N 2.83Å; Q302-N306 PolarHBondContact NE2-OD1 3.42Å; Q302-N306 WeakPolarHBondContact O-CB 3.34Å; Q302-N306 VanDerWaalsContact O-CG 3.28Å; Q302-N306 PolarHBondContact O-N 2.81Å |
| 303 | Y | 83.8 | Confident | 83.2 | Confident | 103 Ų | 103 | 55.1 Ų | 55.1 | 40% | 0.404 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.5 | -37 | 178.7 | -65.5 | -80.7 | 0 | 0 | 0 | 111.8 | L133 T138 S300 F301 A307 | L133-Y303 HydrophobicContact CB-CD1 3.99Å; L133-Y303 HydrophobicContact CD1-CD1 4.28Å; L133-Y303 HydrophobicContact CD1-CE1 4.21Å; T138-Y303 HydrophobicContact CG2-CD2 3.8Å; T138-Y303 HydrophobicContact CG2-CG 4.12Å; S300-Y303 PolarHBondContact O-N 3.41Å; F301-Y303 VanDerWaalsContact C-N 3.26Å; F301-Y303 PolarHBondContact O-N 3.21Å; Y303-A307 VanDerWaalsContact O-CB 3.25Å; Y303-A307 WeakPolarHBondContact O-CB 3.48Å; Y303-A307 PolarHBondContact O-N 3.27Å |
| 304 | F | 85.9 | Confident | 83.3 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 19% | 0.189 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 174.5 | -53.3 | -56.7 | 0 | 0 | 0 | 111.8 | G134 L139 F142 F301 Q302 A307 Q308 | G134-F304 WeakPolarHBondContact O-CD1 3.45Å; G134-F304 WeakPolarHBondContact O-CE1 3.42Å; L139-F304 HydrophobicContact CB-CE1 4Å; L139-F304 HydrophobicContact CB-CZ 4.43Å; L139-F304 HydrophobicContact CD1-CE1 3.77Å; L139-F304 HydrophobicContact CD1-CZ 4.01Å; L139-F304 HydrophobicContact CG-CE1 4.5Å; F142-F304 HydrophobicContact CB-CE2 4.03Å; F142-F304 HydrophobicContact CB-CZ 3.85Å; F142-F304 AromaticContact CD1-CE2 3.83Å; F142-F304 HydrophobicContact CD1-CE2 3.83Å; F142-F304 HydrophobicContact CD1-CZ 4.06Å; F142-F304 HydrophobicContact CD2-CE2 4.32Å; F142-F304 HydrophobicContact CE1-CE2 4.42Å; F142-F304 AromaticContact CG-CE2 3.79Å; F142-F304 HydrophobicContact CG-CE2 3.79Å; F142-F304 HydrophobicContact CG-CZ 4.06Å; F301-F304 HydrophobicContact CD2-CD2 4.26Å; F301-F304 PolarHBondContact O-N 3.18Å; Q302-F304 VanDerWaalsContact C-N 3.35Å; Q302-F304 PolarHBondContact O-N 2.79Å; F304-A307 PolarHBondContact O-N 3.39Å; F304-Q308 WeakPolarHBondContact O-CB 3.33Å; F304-Q308 PolarHBondContact O-N 3.06Å |
| 305 | M | 84.7 | Confident | 83.6 | Confident | 90 Ų | 90 | 52.6 Ų | 52.6 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 176.7 | -66.2 | -130.5 | -59.8 | 0 | 0 | 112 | F301 Q302 Q308 A309 | F301-M305 HydrophobicContact CD1-CG 3.97Å; F301-M305 HydrophobicContact CD1-SD 4.46Å; F301-M305 HydrophobicContact CE1-CG 3.75Å; F301-M305 HydrophobicContact CE1-SD 3.9Å; F301-M305 PolarHBondContact O-N 2.84Å; Q302-M305 PolarHBondContact O-N 2.83Å; M305-Q308 PolarHBondContact O-N 3.05Å; M305-A309 PolarHBondContact O-N 3.32Å |
| 306 | N | 85.3 | Confident | 84.1 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 31% | 0.31 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 176 | -71 | -7.2 | 0 | 0 | 0 | 111.3 | Q302 Q308 A309 S310 | Q302-N306 PolarHBondContact NE2-OD1 3.42Å; Q302-N306 WeakPolarHBondContact O-CB 3.34Å; Q302-N306 VanDerWaalsContact O-CG 3.28Å; Q302-N306 PolarHBondContact O-N 2.81Å; N306-Q308 VanDerWaalsContact C-N 3.31Å; N306-Q308 PolarHBondContact O-N 3.08Å; N306-A309 PolarHBondContact O-N 3.23Å; N306-S310 WeakPolarHBondContact O-CB 3.31Å; N306-S310 PolarHBondContact O-N 2.99Å; N306-S310 PolarHBondContact O-OG 2.95Å |
| 307 | A | 87.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y303 F304 A311 | Y303-A307 VanDerWaalsContact O-CB 3.25Å; Y303-A307 WeakPolarHBondContact O-CB 3.48Å; Y303-A307 PolarHBondContact O-N 3.27Å; F304-A307 PolarHBondContact O-N 3.39Å; A307-A311 WeakPolarHBondContact O-CB 3.39Å; A307-A311 PolarHBondContact O-N 3.48Å |
| 308 | Q | 86.1 | Confident | 84.9 | Confident | 71 Ų | 71 | 54 Ų | 54 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 177.3 | -172.1 | -178.7 | 23.3 | 0 | 0 | 112.5 | F304 M305 N306 T312 | F304-Q308 WeakPolarHBondContact O-CB 3.33Å; F304-Q308 PolarHBondContact O-N 3.06Å; M305-Q308 PolarHBondContact O-N 3.05Å; N306-Q308 VanDerWaalsContact C-N 3.31Å; N306-Q308 PolarHBondContact O-N 3.08Å; Q308-T312 PolarHBondContact O-N 2.84Å; Q308-T312 PolarHBondContact O-OG1 2.91Å |
| 309 | A | 86.7 | Confident | 85.4 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -52.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | M305 N306 A311 T312 E313 | M305-A309 PolarHBondContact O-N 3.32Å; N306-A309 PolarHBondContact O-N 3.23Å; A309-A311 VanDerWaalsContact C-N 3.32Å; A309-A311 PolarHBondContact O-N 3Å; A309-T312 WeakPolarHBondContact O-CB 3.5Å; A309-T312 PolarHBondContact O-N 2.99Å; A309-T312 VanDerWaalsContact O-N 3.14Å; A309-E313 PolarHBondContact O-N 3.21Å |
| 310 | S | 88.1 | Confident | 86.1 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -39 | 176.8 | -67.8 | 0 | 0 | 0 | 0 | 112.4 | N127 N130 N306 E313 I314 | N127-S310 WeakPolarHBondContact O-CB 3.18Å; N127-S310 PolarHBondContact OD1-OG 3.11Å; N130-S310 PolarHBondContact ND2-OG 2.91Å; N306-S310 WeakPolarHBondContact O-CB 3.31Å; N306-S310 PolarHBondContact O-N 2.99Å; N306-S310 PolarHBondContact O-OG 2.95Å; S310-E313 PolarHBondContact O-N 3.5Å; S310-I314 WeakPolarHBondContact O-CG1 3.42Å; S310-I314 PolarHBondContact O-N 2.85Å; S310-I314 VanDerWaalsContact O-N 3.14Å |
| 311 | A | 87.5 | Confident | 86.5 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -36.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L10 I131 A307 A309 E313 I314 Y315 | L10-A311 HydrophobicContact CD1-CB 3.55Å; I131-A311 HydrophobicContact CD1-CB 3.92Å; I131-A311 HydrophobicContact CG1-CB 4.21Å; A307-A311 WeakPolarHBondContact O-CB 3.39Å; A307-A311 PolarHBondContact O-N 3.48Å; A309-A311 VanDerWaalsContact C-N 3.32Å; A309-A311 PolarHBondContact O-N 3Å; A311-E313 VanDerWaalsContact C-N 3.32Å; A311-E313 PolarHBondContact O-N 2.81Å; A311-I314 PolarHBondContact O-N 2.98Å; A311-Y315 HydrophobicContact CB-CD2 3.97Å; A311-Y315 HydrophobicContact CB-CE2 4.1Å; A311-Y315 VanDerWaalsContact O-CB 3.31Å; A311-Y315 WeakPolarHBondContact O-CB 3.22Å; A311-Y315 WeakPolarHBondContact O-CD2 3.49Å; A311-Y315 PolarHBondContact O-N 2.91Å |
| 312 | T | 85.9 | Confident | 87 | Confident | 56 Ų | 56 | 52.3 Ų | 52.3 | 34% | 0.344 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 179.1 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | Q308 A309 S316 | Q308-T312 PolarHBondContact O-N 2.84Å; Q308-T312 PolarHBondContact O-OG1 2.91Å; A309-T312 WeakPolarHBondContact O-CB 3.5Å; A309-T312 PolarHBondContact O-N 2.99Å; A309-T312 VanDerWaalsContact O-N 3.14Å; T312-S316 WeakPolarHBondContact O-CB 3.48Å; T312-S316 PolarHBondContact O-N 3.07Å; T312-S316 VanDerWaalsContact O-N 3.07Å; T312-S316 PolarHBondContact O-OG 3.25Å |
| 313 | E | 85.8 | Confident | 87.2 | Confident | 82 Ų | 82 | 56 Ų | 56 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.6 | -50.8 | 175.3 | -168.9 | -174 | 152.2 | 0 | 0 | 111 | T123 N127 A309 S310 A311 Y315 S316 I317 | T123-E313 PolarHBondContact OG1-OE1 3.05Å; N127-E313 PolarHBondContact ND2-OE2 2.91Å; A309-E313 PolarHBondContact O-N 3.21Å; S310-E313 PolarHBondContact O-N 3.5Å; A311-E313 VanDerWaalsContact C-N 3.32Å; A311-E313 PolarHBondContact O-N 2.81Å; E313-Y315 PolarHBondContact O-N 2.8Å; E313-S316 PolarHBondContact O-N 3.34Å; E313-S316 PolarHBondContact O-OG 2.76Å; E313-I317 PolarHBondContact O-N 3.08Å |
| 314 | I | 87.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -48.3 | -179.7 | -70.6 | 178.8 | 0 | 0 | 0 | 112.2 | I96 Y100 T123 N127 I128 I131 S310 A311 S316 I317 I318 | I96-I314 HydrophobicContact CG2-CG2 4.16Å; Y100-I314 HydrophobicContact CD2-CB 4.48Å; Y100-I314 HydrophobicContact CD2-CG2 3.83Å; Y100-I314 HydrophobicContact CE2-CG1 4.44Å; Y100-I314 HydrophobicContact CE2-CG2 4.47Å; Y100-I314 HydrophobicContact CG-CG2 4.2Å; T123-I314 HydrophobicContact CG2-CD1 4.05Å; T123-I314 HydrophobicContact CG2-CG1 3.54Å; N127-I314 HydrophobicContact CB-CD1 4.04Å; I128-I314 HydrophobicContact CD1-CD1 4.3Å; I128-I314 HydrophobicContact CG1-CD1 3.45Å; I128-I314 VanDerWaalsContact CG1-CD1 3.45Å; I131-I314 HydrophobicContact CD1-CD1 3.79Å; S310-I314 WeakPolarHBondContact O-CG1 3.42Å; S310-I314 PolarHBondContact O-N 2.85Å; S310-I314 VanDerWaalsContact O-N 3.14Å; A311-I314 PolarHBondContact O-N 2.98Å; I314-S316 VanDerWaalsContact C-N 3.3Å; I314-S316 PolarHBondContact O-N 2.91Å; I314-I317 PolarHBondContact O-N 2.93Å; I314-I317 VanDerWaalsContact O-N 3.13Å; I314-I318 HydrophobicContact CG2-CD1 3.63Å; I314-I318 HydrophobicContact CG2-CG1 4.31Å; I314-I318 WeakPolarHBondContact O-CG1 3.36Å; I314-I318 PolarHBondContact O-N 2.88Å |
| 315 | Y | 88.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -30.3 | -179.6 | -77.8 | -65.2 | 0 | 0 | 0 | 112.4 | A9 L10 A311 E313 I317 I318 E319 | A9-Y315 PolarHBondContact O-OH 2.83Å; L10-Y315 PolarHBondContact O-OH 2.94Å; A311-Y315 HydrophobicContact CB-CD2 3.97Å; A311-Y315 HydrophobicContact CB-CE2 4.1Å; A311-Y315 VanDerWaalsContact O-CB 3.31Å; A311-Y315 WeakPolarHBondContact O-CB 3.22Å; A311-Y315 WeakPolarHBondContact O-CD2 3.49Å; A311-Y315 PolarHBondContact O-N 2.91Å; E313-Y315 PolarHBondContact O-N 2.8Å; Y315-I317 PolarHBondContact O-N 2.85Å; Y315-I318 HydrophobicContact CD1-CD1 4.15Å; Y315-I318 HydrophobicContact CE1-CD1 4.35Å; Y315-I318 PolarHBondContact O-N 3.37Å; Y315-E319 VanDerWaalsContact O-CB 3.28Å; Y315-E319 WeakPolarHBondContact O-CB 3.47Å; Y315-E319 VanDerWaalsContact O-CG 3.31Å; Y315-E319 WeakPolarHBondContact O-CG 3.4Å; Y315-E319 PolarHBondContact O-N 3.05Å |
| 316 | S | 88.4 | Confident | 87.4 | Confident | 70 Ų | 70 | 47.6 Ų | 47.6 | 49% | 0.49 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.8 | -29.9 | 173 | 70.1 | 0 | 0 | 0 | 0 | 113 | T312 E313 I314 R320 | T312-S316 WeakPolarHBondContact O-CB 3.48Å; T312-S316 PolarHBondContact O-N 3.07Å; T312-S316 VanDerWaalsContact O-N 3.07Å; T312-S316 PolarHBondContact O-OG 3.25Å; E313-S316 PolarHBondContact O-N 3.34Å; E313-S316 PolarHBondContact O-OG 2.76Å; I314-S316 VanDerWaalsContact C-N 3.3Å; I314-S316 PolarHBondContact O-N 2.91Å; S316-R320 WeakPolarHBondContact O-CB 3.49Å; S316-R320 PolarHBondContact O-N 2.99Å |
| 317 | I | 89.3 | Confident | 87.1 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -82 | -41.6 | 175.2 | -62 | 169.6 | 0 | 0 | 0 | 110.7 | Y100 I104 W111 L120 E313 I314 Y315 E319 R320 | Y100-I317 HydrophobicContact CD2-CB 4.45Å; Y100-I317 HydrophobicContact CD2-CG2 4.36Å; Y100-I317 HydrophobicContact CE2-CB 3.95Å; Y100-I317 HydrophobicContact CE2-CD1 3.72Å; Y100-I317 HydrophobicContact CE2-CG1 4.41Å; Y100-I317 HydrophobicContact CE2-CG2 3.92Å; I104-I317 HydrophobicContact CG1-CG2 4.42Å; W111-I317 HydrophobicContact CH2-CD1 4.28Å; W111-I317 HydrophobicContact CH2-CG2 4.13Å; W111-I317 HydrophobicContact CZ2-CD1 3.9Å; W111-I317 HydrophobicContact CZ2-CG1 3.95Å; W111-I317 HydrophobicContact CZ2-CG2 4.05Å; L120-I317 HydrophobicContact CD2-CD1 4.46Å; E313-I317 PolarHBondContact O-N 3.08Å; I314-I317 PolarHBondContact O-N 2.93Å; I314-I317 VanDerWaalsContact O-N 3.13Å; Y315-I317 PolarHBondContact O-N 2.85Å; I317-E319 VanDerWaalsContact C-N 3.31Å; I317-E319 PolarHBondContact O-N 3.21Å; I317-R320 PolarHBondContact O-N 3.22Å |
| 318 | I | 88.4 | Confident | 86.9 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -39.2 | 177.5 | -66.5 | 172.6 | 0 | 0 | 0 | 111.6 | L99 Y100 I314 Y315 | L99-I318 HydrophobicContact CB-CD1 4.25Å; Y100-I318 HydrophobicContact CD2-CG1 4.29Å; I314-I318 HydrophobicContact CG2-CD1 3.63Å; I314-I318 HydrophobicContact CG2-CG1 4.31Å; I314-I318 WeakPolarHBondContact O-CG1 3.36Å; I314-I318 PolarHBondContact O-N 2.88Å; Y315-I318 HydrophobicContact CD1-CD1 4.15Å; Y315-I318 HydrophobicContact CE1-CD1 4.35Å; Y315-I318 PolarHBondContact O-N 3.37Å |
| 319 | E | 88.5 | Confident | 86.6 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -85 | -12.4 | -178.5 | -65.1 | -179.3 | 163.8 | 0 | 0 | 112.9 | R12 Y315 I317 T321 | R12-E319 IonicContact NH1-OE1 2.82Å; R12-E319 PolarHBondContact NH1-OE1 3.38Å; Y315-E319 VanDerWaalsContact O-CB 3.28Å; Y315-E319 WeakPolarHBondContact O-CB 3.47Å; Y315-E319 VanDerWaalsContact O-CG 3.31Å; Y315-E319 WeakPolarHBondContact O-CG 3.4Å; Y315-E319 PolarHBondContact O-N 3.05Å; I317-E319 VanDerWaalsContact C-N 3.31Å; I317-E319 PolarHBondContact O-N 3.21Å; E319-T321 PolarHBondContact O-N 2.82Å |
| 320 | R | 89.4 | Confident | 86.4 | Confident | 76 Ų | 76 | 55.1 Ų | 55.1 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -70 | 117.3 | 177.9 | -176.1 | 177.2 | -171.3 | -106.9 | 7 | 110.4 | Q107 D108 S316 I317 | Q107-R320 PolarHBondContact NE2-O 2.89Å; D108-R320 IonicContact OD1-NH1 2.91Å; D108-R320 PolarHBondContact OD1-NH1 3.47Å; D108-R320 IonicContact OD1-NH2 3.5Å; S316-R320 WeakPolarHBondContact O-CB 3.49Å; S316-R320 PolarHBondContact O-N 2.99Å; I317-R320 PolarHBondContact O-N 3.22Å |
| 321 | T | 88.7 | Confident | 86.3 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -83.5 | 118.2 | 162.5 | 50 | 0 | 0 | 0 | 0 | 108.7 | E319 | E319-T321 PolarHBondContact O-N 2.82Š|
| 322 | P | 89.8 | Confident | 86.2 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.052 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 155.9 | 177.1 | 30.2 | -36.4 | 0 | 0 | 0 | 110.9 | R106 D108 D325 | R106-P322 HydrophobicContact CG-CG 4.24Å; D108-P322 HydrophobicContact CB-CB 4.24Å; P322-D325 HydrophobicContact CG-CB 4.22Å |
| 323 | E | 86.1 | Confident | 86.1 | Confident | 176 Ų | 176 | 67.2 Ų | 67.2 | 82% | 0.822 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -66 | -43.3 | 176.7 | -64.1 | -173 | 172.3 | 0 | 0 | 110.9 | D325 | E323-D325 PolarHBondContact O-N 2.79Š|
| 324 | I | 88.2 | Confident | 85.6 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -96.4 | 86.9 | 171.4 | -54.5 | 175.3 | 0 | 0 | 0 | 108.6 | D108 K326 R390 L411 | D108-I324 HydrophobicContact CB-CB 4.18Å; I324-K326 PolarHBondContact O-N 3.05Å; I324-R390 HydrophobicContact CD1-CG 4.47Å; I324-R390 HydrophobicContact CG2-CG 4.45Å; I324-L411 HydrophobicContact CG2-CD2 3.81Å |
| 325 | D | 85.8 | Confident | 85.1 | Confident | 40 Ų | 40 | 75.2 Ų | 75.2 | 21% | 0.214 | 40% | 0.395 | C | S | . | . | trans | -81 | 108.4 | 178.8 | -171.2 | 11.5 | 0 | 0 | 0 | 112.5 | R106 P322 E323 N327 C328 | R106-D325 IonicContact CZ-OD1 3.67Å; R106-D325 IonicContact CZ-OD2 2.57Å; R106-D325 IonicContact NE-OD1 3.31Å; R106-D325 PolarHBondContact NE-OD1 3.09Å; R106-D325 IonicContact NE-OD2 2.72Å; R106-D325 IonicContact NH2-OD1 3.11Å; R106-D325 IonicContact NH2-OD2 3.81Å; R106-D325 PolarHBondContact NH2-OD2 2.78Å; P322-D325 HydrophobicContact CG-CB 4.22Å; E323-D325 PolarHBondContact O-N 2.79Å; D325-N327 PolarHBondContact O-N 2.76Å; D325-N327 VanDerWaalsContact O-N 3.16Å; D325-N327 PolarHBondContact OD1-N 2.8Å; D325-C328 HydrophobicContact CB-CB 4.26Å; D325-C328 WeakPolarHBondContact O-CB 3.11Å; D325-C328 PolarHBondContact O-N 2.92Å | ||
| 326 | K | 84 | Confident | 84.8 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 5% | 0.048 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18 | 179.3 | -50.7 | 176.5 | -172.8 | 179.3 | 0 | 114.2 | L105 Q107 I324 L411 T865 E870 | L105-K326 PolarHBondContact O-NZ 2.89Å; Q107-K326 WeakPolarHBondContact O-CE 3.41Å; Q107-K326 PolarHBondContact O-NZ 2.99Å; I324-K326 PolarHBondContact O-N 3.05Å; K326-L411 HydrophobicContact CB-CD2 4.4Å; K326-L411 HydrophobicContact CG-CD2 4.16Å; K326-T865 HydrophobicContact CD-CG2 4.43Å; K326-T865 PolarHBondContact NZ-OG1 3.47Å; K326-E870 VanDerWaalsContact CD-OE1 3.28Å; K326-E870 WeakPolarHBondContact CD-OE1 3.43Å; K326-E870 IonicContact NZ-OE1 2.67Å; K326-E870 PolarHBondContact NZ-OE1 2.63Å |
| 327 | N | 80 | Confident | 84.6 | Confident | 69 Ų | 69 | 73.6 Ų | 73.6 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -4.5 | -179.2 | -66.7 | -33.2 | 0 | 0 | 0 | 113.3 | D325 | D325-N327 PolarHBondContact O-N 2.76Å; D325-N327 VanDerWaalsContact O-N 3.16Å; D325-N327 PolarHBondContact OD1-N 2.8Å |
| 328 | C | 82 | Confident | 84.3 | Confident | 81 Ų | 81 | 73 Ų | 73 | 55% | 0.547 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -74.4 | 131.7 | 176.5 | -167.1 | 0 | 0 | 0 | 0 | 109.8 | D325 G330 | D325-C328 HydrophobicContact CB-CB 4.26Å; D325-C328 WeakPolarHBondContact O-CB 3.11Å; D325-C328 PolarHBondContact O-N 2.92Å; C328-G330 PolarHBondContact O-N 2.79Å |
| 329 | H | 80.6 | Confident | 84.4 | Confident | 171 Ų | 171 | 73.8 Ų | 73.8 | 79% | 0.792 | 39% | 0.386 | S | S | * | . | trans | -77.2 | 121.6 | 176.5 | -66.1 | -61.6 | 0 | 0 | 0 | 110 | ||||
| 330 | G | 83 | Confident | 84.6 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | trans | -103.4 | -172.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C328 N408 D410 | C328-G330 PolarHBondContact O-N 2.79Å; G330-N408 CarbonylContact C-O 3.53Å; G330-N408 WeakPolarHBondContact CA-O 3.47Å; G330-D410 PolarHBondContact N-OD1 3.37Å | ||
| 331 | R | 85.6 | Confident | 84.8 | Confident | 162 Ų | 162 | 67.2 Ų | 67.2 | 61% | 0.611 | 36% | 0.362 | S | S | * | . | B | Isolated β-bridge | trans | -74.9 | 133.9 | 172.1 | -165.1 | 178.7 | 176.6 | -170.2 | -2.5 | 110 | E404 N408 V409 D410 | R331-E404 WeakPolarHBondContact CD-OE1 3.37Å; R331-E404 WeakPolarHBondContact CD-OE2 3.21Å; R331-E404 IonicContact CZ-OE1 3.31Å; R331-E404 IonicContact CZ-OE2 3.62Å; R331-E404 IonicContact NE-OE1 3.07Å; R331-E404 IonicContact NE-OE2 2.82Å; R331-E404 IonicContact NH1-OE1 2.77Å; R331-E404 PolarHBondContact NH1-OE1 2.87Å; R331-E404 IonicContact NH1-OE2 3.51Å; R331-E404 PolarHBondContact NH1-OE2 3.2Å; R331-N408 PolarHBondContact N-O 3.36Å; R331-V409 WeakPolarHBondContact O-CA 3.42Å; R331-D410 PolarHBondContact O-N 2.89Å |
| 332 | L | 85.4 | Confident | 85.1 | Confident | 118 Ų | 118 | 62.5 Ų | 62.5 | 62% | 0.618 | 33% | 0.333 | S | S | * | . | trans | -83.6 | 130.5 | 173.7 | -64.9 | 169.6 | 0 | 0 | 0 | 109.3 | P334 D410 A413 | L332-P334 VanDerWaalsContact O-CD 3.29Å; L332-P334 WeakPolarHBondContact O-CD 3.31Å; L332-D410 HydrophobicContact CD2-CB 3.86Å; L332-A413 HydrophobicContact CD2-CB 3.54Å | ||
| 333 | I | 83.1 | Confident | 85.2 | Confident | 41 Ų | 41 | 64 Ų | 64 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | trans | -96 | 103.4 | 173.5 | -58.5 | 174.1 | 0 | 0 | 0 | 107.4 | N335 F336 I401 E402 V409 | I333-N335 VanDerWaalsContact C-N 3.35Å; I333-N335 PolarHBondContact O-N 3.45Å; I333-F336 HydrophobicContact CG2-CB 4.4Å; I333-I401 HydrophobicContact CD1-CG2 4.29Å; I333-E402 HydrophobicContact CG2-CG 4.25Å; I333-V409 HydrophobicContact CD1-CG1 3.85Å; I333-V409 HydrophobicContact CD1-CG2 3.76Å; I333-V409 HydrophobicContact CG1-CG1 4.19Å; I333-V409 HydrophobicContact CG1-CG2 4.46Å | ||
| 334 | P | 74.6 | Confident | 85.5 | Confident | 117 Ų | 117 | 60 Ų | 60 | 76% | 0.76 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -34.5 | -172.5 | 24.1 | -32.9 | 0 | 0 | 0 | 113 | L332 | L332-P334 VanDerWaalsContact O-CD 3.29Å; L332-P334 WeakPolarHBondContact O-CD 3.31Å |
| 335 | N | 77.8 | Confident | 85.8 | Confident | 134 Ų | 134 | 59.6 Ų | 59.6 | 72% | 0.717 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | 62.4 | -176.2 | -69.8 | -17.6 | 0 | 0 | 0 | 111.2 | I333 S337 | I333-N335 VanDerWaalsContact C-N 3.35Å; I333-N335 PolarHBondContact O-N 3.45Å; N335-S337 PolarHBondContact O-N 3.06Å |
| 336 | F | 82.8 | Confident | 86.1 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | trans | -57.8 | 121.1 | 171.4 | -179 | -116.6 | 0 | 0 | 0 | 109.1 | I333 I401 E402 Y414 Q417 K498 L499 | I333-F336 HydrophobicContact CG2-CB 4.4Å; F336-I401 HydrophobicContact CD2-CG2 3.9Å; F336-I401 HydrophobicContact CE2-CG2 3.42Å; F336-I401 VanDerWaalsContact CE2-CG2 3.42Å; F336-E402 HydrophobicContact CD2-CG 4.17Å; F336-Y414 HydrophobicContact CE2-CE2 4.28Å; F336-Y414 HydrophobicContact CZ-CE2 4.27Å; F336-Q417 HydrophobicContact CB-CG 4.47Å; F336-Q417 HydrophobicContact CD1-CB 3.61Å; F336-Q417 HydrophobicContact CD1-CG 4.02Å; F336-Q417 HydrophobicContact CE1-CB 3.85Å; F336-Q417 HydrophobicContact CG-CB 4.43Å; F336-Q417 HydrophobicContact CG-CG 4.47Å; F336-K498 HydrophobicContact CD1-CB 3.75Å; F336-K498 HydrophobicContact CD1-CD 4Å; F336-K498 HydrophobicContact CD1-CG 4.41Å; F336-K498 HydrophobicContact CE1-CB 3.82Å; F336-K498 WeakPolarHBondContact O-CD 3.41Å; F336-K498 VanDerWaalsContact O-CE 3.32Å; F336-K498 WeakPolarHBondContact O-CE 3.23Å; F336-K498 PolarHBondContact O-NZ 2.93Å; F336-L499 HydrophobicContact CE1-CB 3.96Å; F336-L499 HydrophobicContact CZ-CB 3.98Å; F336-L499 HydrophobicContact CZ-CD2 4.39Å | ||
| 337 | S | 83.2 | Confident | 86.5 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 30% | 0.301 | 32% | 0.32 | S | S | . | . | trans | -102.6 | -24.3 | 178 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | N335 N339 S367 E402 | N335-S337 PolarHBondContact O-N 3.06Å; S337-N339 PolarHBondContact OG-ND2 2.96Å; S337-S367 PolarHBondContact O-OG 2.85Å; S337-S367 VanDerWaalsContact O-OG 3.06Å; S337-E402 WeakPolarHBondContact CA-OE1 3.37Å; S337-E402 WeakPolarHBondContact CB-OE1 3.24Å; S337-E402 PolarHBondContact N-OE1 2.99Å; S337-E402 VanDerWaalsContact OG-CD 3.26Å; S337-E402 PolarHBondContact OG-OE1 3.2Å; S337-E402 PolarHBondContact OG-OE2 3.42Å | ||
| 338 | G | 83.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | 108.3 | 20.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E402 T529 | G338-E402 PolarHBondContact N-OE1 3.31Å; G338-T529 WeakPolarHBondContact O-CG2 3.47Å; G338-T529 PolarHBondContact O-OG1 3Å | ||
| 339 | N | 90.8 | Very high | 87.4 | Confident | 56 Ų | 56 | 54.1 Ų | 54.1 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | trans | -79.8 | 127.2 | 173.7 | -62.7 | -42.9 | 0 | 0 | 0 | 110.7 | S337 I365 S367 E402 | S337-N339 PolarHBondContact OG-ND2 2.96Å; N339-I365 WeakPolarHBondContact CA-O 3.25Å; N339-S367 WeakPolarHBondContact OD1-CB 3.02Å; N339-S367 PolarHBondContact OD1-N 2.89Å; N339-E402 PolarHBondContact N-OE1 2.98Å; N339-E402 PolarHBondContact ND2-OE2 3.02Å; N339-E402 PolarHBondContact O-N 3.22Å; N339-E402 VanDerWaalsContact O-N 3.11Å | ||
| 340 | V | 92.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 134 | 178.6 | -174.3 | 0 | 0 | 0 | 0 | 111 | F342 I365 L388 V399 L400 L499 | V340-F342 HydrophobicContact CG1-CD2 4.38Å; V340-F342 HydrophobicContact CG1-CE2 4.01Å; V340-I365 HydrophobicContact CB-CB 4.34Å; V340-I365 HydrophobicContact CB-CD1 4.45Å; V340-I365 PolarHBondContact N-O 3.4Å; V340-I365 PolarHBondContact O-N 3.44Å; V340-L388 HydrophobicContact CB-CD2 4.37Å; V340-L388 HydrophobicContact CG1-CD2 3.58Å; V340-L388 HydrophobicContact CG2-CD2 4.32Å; V340-V399 HydrophobicContact CG1-CG1 4.23Å; V340-L400 CarbonylContact C-O 3.59Å; V340-L400 WeakPolarHBondContact CA-O 3.33Å; V340-L499 HydrophobicContact CG2-CD2 4.43Å |
| 341 | T | 93.8 | Very high | 87.6 | Confident | 37 Ų | 37 | 50.4 Ų | 50.4 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 121.9 | 178.9 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | L363 S364 L400 | T341-L363 CarbonylContact C-O 3.59Å; T341-L363 WeakPolarHBondContact CA-O 3.35Å; T341-S364 PolarHBondContact OG1-OG 2.93Å; T341-L400 PolarHBondContact N-O 3.02Å; T341-L400 PolarHBondContact O-N 2.99Å |
| 342 | F | 94.1 | Very high | 87.6 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.8 | 169.2 | -70.3 | -101 | 0 | 0 | 0 | 109.4 | V340 V345 F361 N362 L363 V384 M387 L388 V399 | V340-F342 HydrophobicContact CG1-CD2 4.38Å; V340-F342 HydrophobicContact CG1-CE2 4.01Å; F342-V345 HydrophobicContact CB-CG2 4.32Å; F342-V345 HydrophobicContact CD1-CB 4.43Å; F342-V345 HydrophobicContact CD1-CG2 4.02Å; F342-F361 HydrophobicContact CB-CD1 3.88Å; F342-F361 HydrophobicContact CB-CE1 4Å; F342-F361 AromaticContact CD1-CD1 3.89Å; F342-F361 HydrophobicContact CD1-CD1 3.89Å; F342-F361 AromaticContact CD1-CE1 3.94Å; F342-F361 HydrophobicContact CD1-CE1 3.94Å; F342-F361 HydrophobicContact CD2-CE1 4.14Å; F342-F361 HydrophobicContact CE1-CE1 4.49Å; F342-F361 AromaticContact CG-CD1 3.94Å; F342-F361 HydrophobicContact CG-CD1 3.94Å; F342-F361 AromaticContact CG-CE1 3.77Å; F342-F361 HydrophobicContact CG-CE1 3.77Å; F342-N362 WeakPolarHBondContact O-CA 3.36Å; F342-L363 HydrophobicContact CB-CB 4.32Å; F342-L363 HydrophobicContact CD2-CB 4.2Å; F342-L363 PolarHBondContact N-O 3.35Å; F342-L363 PolarHBondContact O-N 3.36Å; F342-V384 HydrophobicContact CE1-CG1 4.29Å; F342-V384 HydrophobicContact CE2-CG1 4.05Å; F342-V384 HydrophobicContact CZ-CG1 3.69Å; F342-M387 HydrophobicContact CE1-CB 4.01Å; F342-M387 HydrophobicContact CZ-CB 4.47Å; F342-L388 HydrophobicContact CE2-CD2 3.72Å; F342-L388 HydrophobicContact CE2-CG 4.28Å; F342-L388 HydrophobicContact CZ-CD2 3.66Å; F342-L388 HydrophobicContact CZ-CG 3.89Å; F342-V399 HydrophobicContact CD1-CG1 4.38Å; F342-V399 HydrophobicContact CD1-CG2 3.7Å; F342-V399 HydrophobicContact CE1-CG1 4.09Å; F342-V399 HydrophobicContact CE1-CG2 3.67Å; F342-V399 HydrophobicContact CZ-CG1 4.15Å |
| 343 | S | 93 | Very high | 87.6 | Confident | 40 Ų | 40 | 50 Ų | 50 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 105.5 | -177.7 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | V345 G397 K398 | S343-V345 VanDerWaalsContact C-N 3.32Å; S343-V345 PolarHBondContact O-N 3.46Å; S343-G397 WeakPolarHBondContact O-CA 3.26Å; S343-K398 PolarHBondContact N-O 3.21Å; S343-K398 PolarHBondContact O-N 3.21Å |
| 344 | N | 92.4 | Very high | 87.8 | Confident | 92 Ų | 92 | 55.4 Ų | 55.4 | 49% | 0.492 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.2 | 44.7 | 177.8 | -66.4 | -42.1 | 0 | 0 | 0 | 114.1 | S346 F361 N362 G397 | N344-S346 PolarHBondContact O-N 3.08Å; N344-F361 PolarHBondContact N-O 2.91Å; N344-N362 PolarHBondContact N-OD1 2.89Å; N344-N362 PolarHBondContact OD1-ND2 3.49Å; N344-N362 PolarHBondContact OD1-OD1 3.12Å; N344-G397 WeakPolarHBondContact O-CA 3.17Å |
| 345 | V | 93 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 123.9 | -173.6 | 171 | 0 | 0 | 0 | 0 | 111.5 | F342 S343 L358 N360 F361 P394 K396 K398 V399 | F342-V345 HydrophobicContact CB-CG2 4.32Å; F342-V345 HydrophobicContact CD1-CB 4.43Å; F342-V345 HydrophobicContact CD1-CG2 4.02Å; S343-V345 VanDerWaalsContact C-N 3.32Å; S343-V345 PolarHBondContact O-N 3.46Å; V345-L358 HydrophobicContact CG1-CD1 4.36Å; V345-N360 PolarHBondContact O-N 3.08Å; V345-F361 HydrophobicContact CB-CB 4.32Å; V345-F361 PolarHBondContact N-O 2.96Å; V345-F361 WeakPolarHBondContact O-CB 3.27Å; V345-F361 PolarHBondContact O-N 3.3Å; V345-P394 HydrophobicContact CG1-CB 3.77Å; V345-P394 HydrophobicContact CG2-CB 4.42Å; V345-K396 CarbonylContact C-O 3.56Å; V345-K396 VanDerWaalsContact CA-O 3.31Å; V345-K396 WeakPolarHBondContact CA-O 2.93Å; V345-K398 WeakPolarHBondContact CG2-O 2.99Å; V345-V399 HydrophobicContact CG2-CG2 4.08Å |
| 346 | S | 92.9 | Very high | 89 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138 | 167.8 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | N344 L358 N360 T395 K396 | N344-S346 PolarHBondContact O-N 3.08Å; S346-L358 CarbonylContact C-O 3.55Å; S346-L358 WeakPolarHBondContact CA-O 3.35Å; S346-N360 PolarHBondContact OG-N 3.13Å; S346-N360 PolarHBondContact OG-OD1 3.44Å; S346-T395 WeakPolarHBondContact O-CA 3.49Å; S346-T395 WeakPolarHBondContact O-CB 3.41Å; S346-T395 PolarHBondContact O-N 3.26Å; S346-K396 PolarHBondContact N-O 3.33Å; S346-K396 PolarHBondContact O-N 3.11Å; S346-K396 VanDerWaalsContact O-N 3.12Å |
| 347 | F | 93.1 | Very high | 89.4 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 141.6 | -175.1 | 176.4 | -106.6 | 0 | 0 | 0 | 113.2 | Y349 I357 L358 T383 M387 Y392 | F347-Y349 AromaticContact CE1-CD1 3.75Å; F347-Y349 HydrophobicContact CE1-CD1 3.75Å; F347-Y349 AromaticContact CE1-CD2 3.97Å; F347-Y349 HydrophobicContact CE1-CD2 3.97Å; F347-Y349 AromaticContact CE1-CE1 3.83Å; F347-Y349 HydrophobicContact CE1-CE1 3.83Å; F347-Y349 HydrophobicContact CE1-CE2 4.04Å; F347-Y349 AromaticContact CE1-CG 3.8Å; F347-Y349 HydrophobicContact CE1-CG 3.8Å; F347-Y349 AromaticContact CE1-CZ 3.97Å; F347-Y349 AromaticContact CZ-CD1 3.85Å; F347-Y349 HydrophobicContact CZ-CD1 3.85Å; F347-Y349 HydrophobicContact CZ-CE1 4.17Å; F347-Y349 HydrophobicContact CZ-CG 4.16Å; F347-I357 PolarHBondContact O-N 3.41Å; F347-L358 HydrophobicContact CB-CB 4.29Å; F347-L358 PolarHBondContact N-O 2.98Å; F347-L358 PolarHBondContact O-N 3.31Å; F347-T383 HydrophobicContact CD1-CG2 3.47Å; F347-T383 VanDerWaalsContact CD1-CG2 3.47Å; F347-T383 HydrophobicContact CE1-CG2 3.72Å; F347-M387 HydrophobicContact CB-CE 3.83Å; F347-M387 HydrophobicContact CD1-CE 3.61Å; F347-M387 HydrophobicContact CD2-CE 3.07Å; F347-M387 HydrophobicContact CE1-CE 3.84Å; F347-M387 HydrophobicContact CE2-CE 3.34Å; F347-M387 HydrophobicContact CG-CE 3.19Å; F347-M387 HydrophobicContact CZ-CE 3.71Å; F347-Y392 HydrophobicContact CE2-CD1 4.39Å; F347-Y392 HydrophobicContact CE2-CG 4.13Å; F347-Y392 AromaticContact CZ-CD1 3.85Å; F347-Y392 HydrophobicContact CZ-CD1 3.85Å; F347-Y392 HydrophobicContact CZ-CD2 4.26Å; F347-Y392 AromaticContact CZ-CG 3.63Å; F347-Y392 HydrophobicContact CZ-CG 3.63Å |
| 348 | A | 91 | Very high | 89.9 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 139.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109 | T355 | A348-T355 WeakPolarHBondContact CB-O 3.36Å |
| 349 | Y | 89.4 | Confident | 90.3 | Very high | 45 Ų | 45 | 54.2 Ų | 54.2 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | trans | -65.6 | 138.4 | 175.3 | -77.9 | -78.7 | 0 | 0 | 0 | 110.2 | F347 S351 R352 I357 T383 H386 Y392 | F347-Y349 AromaticContact CE1-CD1 3.75Å; F347-Y349 HydrophobicContact CE1-CD1 3.75Å; F347-Y349 AromaticContact CE1-CD2 3.97Å; F347-Y349 HydrophobicContact CE1-CD2 3.97Å; F347-Y349 AromaticContact CE1-CE1 3.83Å; F347-Y349 HydrophobicContact CE1-CE1 3.83Å; F347-Y349 HydrophobicContact CE1-CE2 4.04Å; F347-Y349 AromaticContact CE1-CG 3.8Å; F347-Y349 HydrophobicContact CE1-CG 3.8Å; F347-Y349 AromaticContact CE1-CZ 3.97Å; F347-Y349 AromaticContact CZ-CD1 3.85Å; F347-Y349 HydrophobicContact CZ-CD1 3.85Å; F347-Y349 HydrophobicContact CZ-CE1 4.17Å; F347-Y349 HydrophobicContact CZ-CG 4.16Å; Y349-S351 PolarHBondContact O-N 3.43Å; Y349-S351 VanDerWaalsContact O-N 3.16Å; Y349-R352 CarbonylContact O-C 3.44Å; Y349-R352 PolarHBondContact O-N 3.28Å; Y349-I357 HydrophobicContact CD2-CG1 3.82Å; Y349-I357 HydrophobicContact CE2-CG1 4.11Å; Y349-T383 HydrophobicContact CE2-CG2 4.31Å; Y349-T383 PolarHBondContact OH-OG1 3.19Å; Y349-H386 PolarHBondContact OH-ND1 2.97Å; Y349-Y392 HydrophobicContact CD1-CD1 4.42Å; Y349-Y392 AromaticContact CD1-CE1 3.91Å; Y349-Y392 HydrophobicContact CD1-CE1 3.91Å; Y349-Y392 HydrophobicContact CD1-CE2 4.33Å; Y349-Y392 AromaticContact CD1-CZ 3.88Å; Y349-Y392 HydrophobicContact CE1-CD2 4.18Å; Y349-Y392 HydrophobicContact CE1-CE1 4.07Å; Y349-Y392 AromaticContact CE1-CE2 3.65Å; Y349-Y392 HydrophobicContact CE1-CE2 3.65Å; Y349-Y392 AromaticContact CE1-CZ 3.58Å | ||
| 350 | P | 85 | Confident | 90.2 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 36% | 0.357 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -33.5 | 179.1 | -28.6 | 37.2 | 0 | 0 | 0 | 113.8 | A110 R352 P353 | A110-P350 HydrophobicContact CB-CG 3.96Å; P350-R352 PolarHBondContact O-N 2.99Å; P350-P353 WeakPolarHBondContact O-CD 3.43Å |
| 351 | S | 82.4 | Confident | 90.2 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 48% | 0.483 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.8 | 175.4 | 61 | 0 | 0 | 0 | 0 | 114.2 | Y349 | Y349-S351 PolarHBondContact O-N 3.43Å; Y349-S351 VanDerWaalsContact O-N 3.16Å |
| 352 | R | 86.8 | Confident | 90.1 | Very high | 181 Ų | 181 | 58.4 Ų | 58.4 | 68% | 0.683 | 32% | 0.315 | S | S | * | . | trans | -145.1 | 69 | -177.8 | -64.3 | -175.2 | -173.2 | 172.3 | 3.5 | 110.3 | Y349 P350 D354 T355 | Y349-R352 CarbonylContact O-C 3.44Å; Y349-R352 PolarHBondContact O-N 3.28Å; P350-R352 PolarHBondContact O-N 2.99Å; R352-D354 PolarHBondContact O-N 3.45Å; R352-D354 VanDerWaalsContact O-N 3.16Å; R352-T355 PolarHBondContact O-N 2.98Å; R352-T355 VanDerWaalsContact O-N 3.12Å | ||
| 353 | P | 84.7 | Confident | 90.1 | Very high | 89 Ų | 89 | 59.2 Ų | 59.2 | 58% | 0.578 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -26.4 | -173.1 | 26.8 | -34.4 | 0 | 0 | 0 | 112.8 | P350 T355 | P350-P353 WeakPolarHBondContact O-CD 3.43Å; P353-T355 VanDerWaalsContact C-N 3.26Å; P353-T355 PolarHBondContact O-N 3.32Å |
| 354 | D | 87.5 | Confident | 90 | Very high | 156 Ų | 156 | 60.4 Ų | 60.4 | 83% | 0.834 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -17.4 | -179.3 | -56.9 | -35.9 | 0 | 0 | 0 | 113.5 | R352 | R352-D354 PolarHBondContact O-N 3.45Å; R352-D354 VanDerWaalsContact O-N 3.16Å |
| 355 | T | 87.6 | Confident | 90.1 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -107.7 | 98.2 | -176.1 | -49.9 | 0 | 0 | 0 | 0 | 110.9 | A348 R352 P353 I357 | A348-T355 WeakPolarHBondContact CB-O 3.36Å; R352-T355 PolarHBondContact O-N 2.98Å; R352-T355 VanDerWaalsContact O-N 3.12Å; P353-T355 VanDerWaalsContact C-N 3.26Å; P353-T355 PolarHBondContact O-N 3.32Å; T355-I357 HydrophobicContact CG2-CD1 4.05Å; T355-I357 PolarHBondContact O-N 3.1Å |
| 356 | V | 89.6 | Confident | 90 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 41% | 0.406 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 114.9 | 174.7 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | L358 K359 | V356-L358 WeakPolarHBondContact CG1-O 3.21Å; V356-K359 HydrophobicContact CB-CG 4.42Å; V356-K359 HydrophobicContact CG1-CG 3.67Å |
| 357 | I | 92 | Very high | 89.9 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -41.4 | -176.9 | -58.2 | -60.9 | 0 | 0 | 0 | 112 | F347 Y349 T355 T383 G552 | F347-I357 PolarHBondContact O-N 3.41Å; Y349-I357 HydrophobicContact CD2-CG1 3.82Å; Y349-I357 HydrophobicContact CE2-CG1 4.11Å; T355-I357 HydrophobicContact CG2-CD1 4.05Å; T355-I357 PolarHBondContact O-N 3.1Å; I357-T383 HydrophobicContact CG2-CG2 4.33Å; I357-G552 WeakPolarHBondContact O-CA 3.32Å |
| 358 | L | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135.5 | 174.6 | -64.9 | 177 | 0 | 0 | 0 | 109.2 | V345 S346 F347 V356 F361 T383 L549 | V345-L358 HydrophobicContact CG1-CD1 4.36Å; S346-L358 CarbonylContact C-O 3.55Å; S346-L358 WeakPolarHBondContact CA-O 3.35Å; F347-L358 HydrophobicContact CB-CB 4.29Å; F347-L358 PolarHBondContact N-O 2.98Å; F347-L358 PolarHBondContact O-N 3.31Å; V356-L358 WeakPolarHBondContact CG1-O 3.21Å; L358-F361 HydrophobicContact CB-CB 4.35Å; L358-F361 HydrophobicContact CD2-CD2 4.35Å; L358-F361 HydrophobicContact CD2-CG 4.45Å; L358-T383 HydrophobicContact CD1-CG2 3.93Å; L358-T383 HydrophobicContact CG-CG2 4.23Å; L358-L549 HydrophobicContact CD2-CD2 4.27Å |
| 359 | K | 91.6 | Very high | 89.7 | Confident | 98 Ų | 98 | 67.7 Ų | 67.7 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 108.1 | -175.2 | -65.2 | 174.8 | -175 | 169.3 | 0 | 109.7 | V356 F361 G552 V553 | V356-K359 HydrophobicContact CB-CG 4.42Å; V356-K359 HydrophobicContact CG1-CG 3.67Å; K359-F361 PolarHBondContact O-N 2.95Å; K359-F361 VanDerWaalsContact O-N 3.14Å; K359-G552 PolarHBondContact N-O 3.43Å; K359-V553 HydrophobicContact CB-CG2 3.98Å |
| 360 | N | 90 | Very high | 89.8 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 57% | 0.567 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 45.7 | 42.9 | -178.4 | -61.9 | -24.9 | 0 | 0 | 0 | 113.3 | V345 S346 N362 | V345-N360 PolarHBondContact O-N 3.08Å; S346-N360 PolarHBondContact OG-N 3.13Å; S346-N360 PolarHBondContact OG-OD1 3.44Å; N360-N362 PolarHBondContact O-ND2 3.35Å |
| 361 | F | 91.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 129.7 | -177 | -179.4 | -97.6 | 0 | 0 | 0 | 111 | F342 N344 V345 L358 K359 L363 V384 L549 V554 | F342-F361 HydrophobicContact CB-CD1 3.88Å; F342-F361 HydrophobicContact CB-CE1 4Å; F342-F361 AromaticContact CD1-CD1 3.89Å; F342-F361 HydrophobicContact CD1-CD1 3.89Å; F342-F361 AromaticContact CD1-CE1 3.94Å; F342-F361 HydrophobicContact CD1-CE1 3.94Å; F342-F361 HydrophobicContact CD2-CE1 4.14Å; F342-F361 HydrophobicContact CE1-CE1 4.49Å; F342-F361 AromaticContact CG-CD1 3.94Å; F342-F361 HydrophobicContact CG-CD1 3.94Å; F342-F361 AromaticContact CG-CE1 3.77Å; F342-F361 HydrophobicContact CG-CE1 3.77Å; N344-F361 PolarHBondContact N-O 2.91Å; V345-F361 HydrophobicContact CB-CB 4.32Å; V345-F361 PolarHBondContact N-O 2.96Å; V345-F361 WeakPolarHBondContact O-CB 3.27Å; V345-F361 PolarHBondContact O-N 3.3Å; L358-F361 HydrophobicContact CB-CB 4.35Å; L358-F361 HydrophobicContact CD2-CD2 4.35Å; L358-F361 HydrophobicContact CD2-CG 4.45Å; K359-F361 PolarHBondContact O-N 2.95Å; K359-F361 VanDerWaalsContact O-N 3.14Å; F361-L363 HydrophobicContact CE1-CB 3.72Å; F361-L363 HydrophobicContact CE1-CD2 4.25Å; F361-L363 HydrophobicContact CZ-CB 3.82Å; F361-L363 HydrophobicContact CZ-CD2 3.91Å; F361-L363 HydrophobicContact CZ-CG 4.5Å; F361-V384 HydrophobicContact CE1-CG1 4.43Å; F361-V384 HydrophobicContact CE1-CG2 4.1Å; F361-V384 HydrophobicContact CE2-CG2 4.41Å; F361-V384 HydrophobicContact CZ-CG2 3.88Å; F361-L549 HydrophobicContact CD2-CD2 4.15Å; F361-L549 HydrophobicContact CE2-CD2 3.66Å; F361-L549 HydrophobicContact CE2-CG 4.16Å; F361-V554 HydrophobicContact CD2-CG2 3.66Å; F361-V554 HydrophobicContact CE2-CG2 3.36Å; F361-V554 HydrophobicContact CZ-CG2 4.25Å |
| 362 | N | 92.5 | Very high | 90.7 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 40% | 0.401 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.1 | 178 | -70.7 | -75.9 | 0 | 0 | 0 | 109.4 | F342 N344 N360 | F342-N362 WeakPolarHBondContact O-CA 3.36Å; N344-N362 PolarHBondContact N-OD1 2.89Å; N344-N362 PolarHBondContact OD1-ND2 3.49Å; N344-N362 PolarHBondContact OD1-OD1 3.12Å; N360-N362 PolarHBondContact O-ND2 3.35Å |
| 363 | L | 92.4 | Very high | 91 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 136.2 | 179.1 | 177.8 | 60.8 | 0 | 0 | 0 | 109.8 | T341 F342 F361 I365 V371 L373 L545 V547 | T341-L363 CarbonylContact C-O 3.59Å; T341-L363 WeakPolarHBondContact CA-O 3.35Å; F342-L363 HydrophobicContact CB-CB 4.32Å; F342-L363 HydrophobicContact CD2-CB 4.2Å; F342-L363 PolarHBondContact N-O 3.35Å; F342-L363 PolarHBondContact O-N 3.36Å; F361-L363 HydrophobicContact CE1-CB 3.72Å; F361-L363 HydrophobicContact CE1-CD2 4.25Å; F361-L363 HydrophobicContact CZ-CB 3.82Å; F361-L363 HydrophobicContact CZ-CD2 3.91Å; F361-L363 HydrophobicContact CZ-CG 4.5Å; L363-I365 HydrophobicContact CD2-CD1 4.13Å; L363-I365 HydrophobicContact CD2-CG1 4.16Å; L363-I365 HydrophobicContact CG-CG1 4.09Å; L363-V371 HydrophobicContact CD2-CG1 4.49Å; L363-L373 HydrophobicContact CD2-CD2 4.1Å; L363-L545 HydrophobicContact CD1-CD2 4.39Å; L363-V547 HydrophobicContact CD1-CG2 3.64Å |
| 364 | S | 92.8 | Very high | 91.3 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128 | 172.9 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | T341 | T341-S364 PolarHBondContact OG1-OG 2.93Å |
| 365 | I | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.6 | -176.6 | -54.6 | 174.5 | 0 | 0 | 0 | 107.2 | N339 V340 L363 V371 T529 V531 | N339-I365 WeakPolarHBondContact CA-O 3.25Å; V340-I365 HydrophobicContact CB-CB 4.34Å; V340-I365 HydrophobicContact CB-CD1 4.45Å; V340-I365 PolarHBondContact N-O 3.4Å; V340-I365 PolarHBondContact O-N 3.44Å; L363-I365 HydrophobicContact CD2-CD1 4.13Å; L363-I365 HydrophobicContact CD2-CG1 4.16Å; L363-I365 HydrophobicContact CG-CG1 4.09Å; I365-V371 HydrophobicContact CB-CG2 4.39Å; I365-V371 HydrophobicContact CG1-CG2 4.15Å; I365-V371 HydrophobicContact CG2-CG2 3.84Å; I365-T529 HydrophobicContact CG2-CG2 3.45Å; I365-T529 VanDerWaalsContact CG2-CG2 3.45Å; I365-V531 HydrophobicContact CD1-CG2 3.74Å |
| 366 | K | 91.6 | Very high | 91.2 | Very high | 142 Ų | 142 | 39.8 Ų | 39.8 | 62% | 0.617 | 23% | 0.229 | S | C | * | . | trans | -88.3 | 152.9 | 179.7 | -63.6 | 177.1 | 178.7 | 176 | 0 | 111.4 | G368 Q369 | K366-G368 PolarHBondContact O-N 3.34Å; K366-Q369 HydrophobicContact CB-CB 4.33Å; K366-Q369 WeakPolarHBondContact O-CB 3.44Å; K366-Q369 PolarHBondContact O-N 2.87Å; K366-Q369 VanDerWaalsContact O-N 3.07Å | ||
| 367 | S | 90.4 | Very high | 90.8 | Very high | 65 Ų | 65 | 41.9 Ų | 41.9 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 128.8 | 173.2 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | S337 N339 Q369 T529 | S337-S367 PolarHBondContact O-OG 2.85Å; S337-S367 VanDerWaalsContact O-OG 3.06Å; N339-S367 WeakPolarHBondContact OD1-CB 3.02Å; N339-S367 PolarHBondContact OD1-N 2.89Å; S367-Q369 PolarHBondContact O-N 3.46Å; S367-T529 WeakPolarHBondContact CA-OG1 3.44Å |
| 368 | G | 88.3 | Confident | 90.3 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 44% | 0.443 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K366 T529 | K366-G368 PolarHBondContact O-N 3.34Å; G368-T529 PolarHBondContact N-OG1 3.44Å |
| 369 | Q | 91.3 | Very high | 90 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 16% | 0.159 | 27% | 0.274 | C | S | . | . | trans | -82.7 | 139.5 | 178.7 | -166.6 | 179 | 5.1 | 0 | 0 | 111 | K366 S367 V371 V530 N544 L545 | K366-Q369 HydrophobicContact CB-CB 4.33Å; K366-Q369 WeakPolarHBondContact O-CB 3.44Å; K366-Q369 PolarHBondContact O-N 2.87Å; K366-Q369 VanDerWaalsContact O-N 3.07Å; S367-Q369 PolarHBondContact O-N 3.46Å; Q369-V371 HydrophobicContact CG-CG2 4Å; Q369-V530 PolarHBondContact O-N 3.43Å; Q369-N544 HydrophobicContact CG-CB 3.77Å; Q369-L545 VanDerWaalsContact NE2-CB 3.29Å | ||
| 370 | T | 92 | Very high | 89.7 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 113.5 | 167.3 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | V530 V532 A543 N544 L545 | T370-V530 CarbonylContact C-O 3.48Å; T370-V530 WeakPolarHBondContact CA-O 3.28Å; T370-V530 HydrophobicContact CG2-CB 4.21Å; T370-V532 HydrophobicContact CG2-CG2 4.41Å; T370-A543 HydrophobicContact CG2-CB 4.21Å; T370-N544 WeakPolarHBondContact CB-OD1 3.4Å; T370-N544 PolarHBondContact N-OD1 3.19Å; T370-N544 PolarHBondContact O-N 3.41Å; T370-L545 PolarHBondContact O-N 3.47Å |
| 371 | V | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.7 | 179.8 | -178.3 | 0 | 0 | 0 | 0 | 110 | L363 I365 Q369 L373 V530 V531 V532 L545 V547 | L363-V371 HydrophobicContact CD2-CG1 4.49Å; I365-V371 HydrophobicContact CB-CG2 4.39Å; I365-V371 HydrophobicContact CG1-CG2 4.15Å; I365-V371 HydrophobicContact CG2-CG2 3.84Å; Q369-V371 HydrophobicContact CG-CG2 4Å; V371-L373 HydrophobicContact CG1-CD2 4.39Å; V371-V530 PolarHBondContact N-O 2.92Å; V371-V531 WeakPolarHBondContact O-CA 3.5Å; V371-V532 PolarHBondContact O-N 3.42Å; V371-L545 CarbonylContact C-O 3.34Å; V371-L545 VanDerWaalsContact CA-O 3.31Å; V371-L545 WeakPolarHBondContact CA-O 3.28Å; V371-L545 HydrophobicContact CG1-CD2 4.42Å; V371-L545 HydrophobicContact CG2-CB 4.35Å; V371-L545 HydrophobicContact CG2-CD2 4.36Å; V371-V547 HydrophobicContact CG1-CG2 3.95Å |
| 372 | A | 92.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V532 V540 A543 L545 I546 V547 | A372-V532 CarbonylContact C-O 3.51Å; A372-V532 WeakPolarHBondContact CA-O 3.46Å; A372-V540 HydrophobicContact CB-CB 3.56Å; A372-V540 HydrophobicContact CB-CG1 3.44Å; A372-V540 VanDerWaalsContact CB-CG1 3.44Å; A372-A543 HydrophobicContact CB-CB 3.64Å; A372-L545 PolarHBondContact N-O 3.03Å; A372-I546 HydrophobicContact CB-CG1 4.19Å; A372-I546 CarbonylContact O-C 3.55Å; A372-I546 WeakPolarHBondContact O-CA 3.48Å; A372-V547 PolarHBondContact O-N 3.27Å |
| 373 | L | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 118.8 | 175.6 | -55.5 | -179.6 | 0 | 0 | 0 | 109.6 | L363 V371 V384 V531 V532 V533 V547 L549 | L363-L373 HydrophobicContact CD2-CD2 4.1Å; V371-L373 HydrophobicContact CG1-CD2 4.39Å; L373-V384 HydrophobicContact CD1-CB 3.67Å; L373-V384 HydrophobicContact CD1-CG1 3.77Å; L373-V384 HydrophobicContact CD1-CG2 4.08Å; L373-V531 HydrophobicContact CD1-CG1 3.98Å; L373-V531 HydrophobicContact CG-CG1 4.26Å; L373-V532 PolarHBondContact N-O 3.16Å; L373-V533 HydrophobicContact CB-CG2 4.06Å; L373-V533 HydrophobicContact CD1-CG2 3.96Å; L373-V533 HydrophobicContact CG-CG2 4.46Å; L373-V547 HydrophobicContact CD2-CB 3.91Å; L373-V547 HydrophobicContact CD2-CG1 4.35Å; L373-V547 HydrophobicContact CD2-CG2 4.34Å; L373-L549 HydrophobicContact CB-CD1 4.13Å; L373-L549 HydrophobicContact CD2-CD1 4.13Å |
| 374 | V | 91.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 152 | -174.5 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | L537 V540 I546 V547 V548 L549 Y570 M573 | V374-L537 HydrophobicContact CB-CD2 4.47Å; V374-L537 HydrophobicContact CG1-CD2 3.47Å; V374-L537 VanDerWaalsContact CG1-CD2 3.47Å; V374-L537 HydrophobicContact CG2-CD2 4.12Å; V374-V540 HydrophobicContact CG2-CG1 4.46Å; V374-V540 HydrophobicContact CG2-CG2 4.12Å; V374-I546 HydrophobicContact CB-CG2 4.49Å; V374-I546 HydrophobicContact CG2-CG2 3.98Å; V374-V547 PolarHBondContact N-O 3.46Å; V374-V548 CarbonylContact O-C 3.51Å; V374-V548 WeakPolarHBondContact O-CA 3.33Å; V374-L549 PolarHBondContact O-N 3.49Å; V374-Y570 HydrophobicContact CG1-CD2 4.33Å; V374-M573 HydrophobicContact CG1-SD 3.96Å |
| 375 | G | 87.5 | Confident | 89.6 | Confident | 12 Ų | 12 | 29.1 Ų | 29.1 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | trans | 159.2 | 170.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K381 L549 | G375-K381 PolarHBondContact O-NZ 3.07Å; G375-L549 WeakPolarHBondContact CA-O 3.32Å | ||
| 376 | P | 84.6 | Confident | 89.6 | Confident | 51 Ų | 51 | 30.4 Ų | 30.4 | 33% | 0.331 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -64.9 | 164.7 | 177.3 | 28.9 | -30.4 | 0 | 0 | 0 | 111.5 | G378 S379 K381 L549 M573 | P376-G378 PolarHBondContact O-N 3.38Å; P376-S379 WeakPolarHBondContact O-CB 3.2Å; P376-S379 PolarHBondContact O-N 3.38Å; P376-S379 PolarHBondContact O-OG 2.97Å; P376-K381 PolarHBondContact O-NZ 2.72Å; P376-L549 VanDerWaalsContact CD-O 3.27Å; P376-L549 WeakPolarHBondContact CD-O 3.16Å; P376-M573 HydrophobicContact CB-CE 4.46Å; P376-M573 VanDerWaalsContact CD-CE 3.45Å; P376-M573 HydrophobicContact CG-CE 4.36Å |
| 377 | S | 82.4 | Confident | 89.6 | Confident | 111 Ų | 111 | 23.8 Ų | 23.8 | 78% | 0.776 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | 135 | 174.7 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 378 | G | 80.8 | Confident | 89.7 | Confident | 71 Ų | 71 | 20.7 Ų | 20.7 | 73% | 0.732 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 5.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P376 G380 | P376-G378 PolarHBondContact O-N 3.38Å; G378-G380 PolarHBondContact O-N 3.48Å |
| 379 | S | 85.4 | Confident | 89.9 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -72.9 | -8.6 | 177.5 | 67.3 | 0 | 0 | 0 | 0 | 115.3 | P376 K381 L549 G552 | P376-S379 WeakPolarHBondContact O-CB 3.2Å; P376-S379 PolarHBondContact O-N 3.38Å; P376-S379 PolarHBondContact O-OG 2.97Å; S379-K381 WeakPolarHBondContact OG-CG 3.45Å; S379-L549 WeakPolarHBondContact CB-O 3.31Å; S379-L549 PolarHBondContact OG-O 3.17Å; S379-G552 WeakPolarHBondContact O-CA 3.34Å; S379-G552 PolarHBondContact O-N 3.46Å |
| 380 | G | 86.5 | Confident | 90 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 6% | 0.062 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 101.8 | 12.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G378 T383 V384 | G378-G380 PolarHBondContact O-N 3.48Å; G380-T383 VanDerWaalsContact O-CB 3.22Å; G380-T383 WeakPolarHBondContact O-CB 3.29Å; G380-T383 PolarHBondContact O-N 3.42Å; G380-V384 PolarHBondContact O-N 2.91Å |
| 381 | K | 90.1 | Very high | 90 | Very high | 12 Ų | 12 | 18.1 Ų | 18.1 | 5% | 0.052 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.7 | -59.2 | -177.3 | -52 | -177.7 | -68.1 | -83 | 0 | 113.8 | G375 P376 S379 T383 V384 V533 | G375-K381 PolarHBondContact O-NZ 3.07Å; P376-K381 PolarHBondContact O-NZ 2.72Å; S379-K381 WeakPolarHBondContact OG-CG 3.45Å; K381-T383 PolarHBondContact O-N 2.82Å; K381-V384 WeakPolarHBondContact O-CB 3.38Å; K381-V384 PolarHBondContact O-N 2.77Å; K381-V533 HydrophobicContact CB-CB 4.49Å; K381-V533 HydrophobicContact CB-CG1 3.58Å; K381-V533 HydrophobicContact CB-CG2 4.04Å; K381-V533 HydrophobicContact CD-CG1 4.07Å; K381-V533 HydrophobicContact CG-CG1 4.45Å |
| 382 | S | 90.5 | Very high | 90 | Very high | 33 Ų | 33 | 18.4 Ų | 18.4 | 23% | 0.231 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.6 | -26.8 | 178.7 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | V384 I385 H386 D503 | S382-V384 PolarHBondContact O-N 3.34Å; S382-I385 WeakPolarHBondContact O-CB 3.12Å; S382-I385 PolarHBondContact O-N 2.9Å; S382-I385 VanDerWaalsContact O-N 3.09Å; S382-H386 PolarHBondContact O-N 2.77Å; S382-D503 WeakPolarHBondContact CB-OD1 3.36Å; S382-D503 PolarHBondContact OG-OD1 3.17Å |
| 383 | T | 91.7 | Very high | 89.9 | Confident | 7 Ų | 7 | 20.5 Ų | 20.5 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.1 | -34.8 | 173.2 | -49.3 | 0 | 0 | 0 | 0 | 111.9 | F347 Y349 I357 L358 G380 K381 H386 M387 | F347-T383 HydrophobicContact CD1-CG2 3.47Å; F347-T383 VanDerWaalsContact CD1-CG2 3.47Å; F347-T383 HydrophobicContact CE1-CG2 3.72Å; Y349-T383 HydrophobicContact CE2-CG2 4.31Å; Y349-T383 PolarHBondContact OH-OG1 3.19Å; I357-T383 HydrophobicContact CG2-CG2 4.33Å; L358-T383 HydrophobicContact CD1-CG2 3.93Å; L358-T383 HydrophobicContact CG-CG2 4.23Å; G380-T383 VanDerWaalsContact O-CB 3.22Å; G380-T383 WeakPolarHBondContact O-CB 3.29Å; G380-T383 PolarHBondContact O-N 3.42Å; K381-T383 PolarHBondContact O-N 2.82Å; T383-H386 PolarHBondContact O-N 3.25Å; T383-M387 VanDerWaalsContact O-CG 3.27Å; T383-M387 WeakPolarHBondContact O-CG 3.42Å; T383-M387 PolarHBondContact O-N 3.15Å |
| 384 | V | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 174.4 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | F342 F361 L373 G380 K381 S382 H386 M387 L388 L549 | F342-V384 HydrophobicContact CE1-CG1 4.29Å; F342-V384 HydrophobicContact CE2-CG1 4.05Å; F342-V384 HydrophobicContact CZ-CG1 3.69Å; F361-V384 HydrophobicContact CE1-CG1 4.43Å; F361-V384 HydrophobicContact CE1-CG2 4.1Å; F361-V384 HydrophobicContact CE2-CG2 4.41Å; F361-V384 HydrophobicContact CZ-CG2 3.88Å; L373-V384 HydrophobicContact CD1-CB 3.67Å; L373-V384 HydrophobicContact CD1-CG1 3.77Å; L373-V384 HydrophobicContact CD1-CG2 4.08Å; G380-V384 PolarHBondContact O-N 2.91Å; K381-V384 WeakPolarHBondContact O-CB 3.38Å; K381-V384 PolarHBondContact O-N 2.77Å; S382-V384 PolarHBondContact O-N 3.34Å; V384-H386 VanDerWaalsContact C-N 3.34Å; V384-H386 PolarHBondContact O-N 3.08Å; V384-M387 PolarHBondContact O-N 3.32Å; V384-L388 WeakPolarHBondContact O-CG 3.35Å; V384-L388 PolarHBondContact O-N 3.17Å; V384-L549 HydrophobicContact CG2-CD2 4.45Å |
| 385 | I | 92.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 175.3 | -73.2 | -176.9 | 0 | 0 | 0 | 111.5 | S382 M387 L388 Q389 L501 D503 V533 | S382-I385 WeakPolarHBondContact O-CB 3.12Å; S382-I385 PolarHBondContact O-N 2.9Å; S382-I385 VanDerWaalsContact O-N 3.09Å; I385-M387 VanDerWaalsContact C-N 3.33Å; I385-M387 PolarHBondContact O-N 2.76Å; I385-L388 PolarHBondContact O-N 2.91Å; I385-Q389 PolarHBondContact O-N 3.17Å; I385-Q389 VanDerWaalsContact O-N 3.11Å; I385-Q389 PolarHBondContact O-NE2 2.94Å; I385-L501 HydrophobicContact CG2-CB 4.35Å; I385-L501 HydrophobicContact CG2-CD1 4.35Å; I385-D503 HydrophobicContact CD1-CB 3.55Å; I385-D503 HydrophobicContact CG2-CB 4.36Å; I385-V533 HydrophobicContact CD1-CB 4.01Å; I385-V533 HydrophobicContact CD1-CG2 3.37Å; I385-V533 HydrophobicContact CG1-CG2 3.89Å |
| 386 | H | 92.4 | Very high | 90 | Very high | 28 Ų | 28 | 31.7 Ų | 31.7 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | 176.4 | -64.4 | 168.6 | 0 | 0 | 0 | 112.5 | Y349 S382 T383 V384 Q389 R390 F391 Y392 | Y349-H386 PolarHBondContact OH-ND1 2.97Å; S382-H386 PolarHBondContact O-N 2.77Å; T383-H386 PolarHBondContact O-N 3.25Å; V384-H386 VanDerWaalsContact C-N 3.34Å; V384-H386 PolarHBondContact O-N 3.08Å; H386-Q389 PolarHBondContact O-N 2.97Å; H386-R390 PolarHBondContact O-N 3.05Å; H386-F391 HydrophobicContact CB-CB 4.43Å; H386-F391 HydrophobicContact CB-CD2 4.3Å; H386-F391 PolarHBondContact O-N 3.15Å; H386-Y392 HydrophobicContact CB-CD2 3.8Å; H386-Y392 HydrophobicContact CB-CE2 3.81Å; H386-Y392 AromaticContact ND1-CE2 3.9Å |
| 387 | M | 92.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 174.4 | -72.8 | -70 | 166.3 | 0 | 0 | 112 | F342 F347 T383 V384 I385 Q389 R390 | F342-M387 HydrophobicContact CE1-CB 4.01Å; F342-M387 HydrophobicContact CZ-CB 4.47Å; F347-M387 HydrophobicContact CB-CE 3.83Å; F347-M387 HydrophobicContact CD1-CE 3.61Å; F347-M387 HydrophobicContact CD2-CE 3.07Å; F347-M387 HydrophobicContact CE1-CE 3.84Å; F347-M387 HydrophobicContact CE2-CE 3.34Å; F347-M387 HydrophobicContact CG-CE 3.19Å; F347-M387 HydrophobicContact CZ-CE 3.71Å; T383-M387 VanDerWaalsContact O-CG 3.27Å; T383-M387 WeakPolarHBondContact O-CG 3.42Å; T383-M387 PolarHBondContact O-N 3.15Å; V384-M387 PolarHBondContact O-N 3.32Å; I385-M387 VanDerWaalsContact C-N 3.33Å; I385-M387 PolarHBondContact O-N 2.76Å; M387-Q389 VanDerWaalsContact C-N 3.26Å; M387-Q389 PolarHBondContact O-N 2.97Å; M387-R390 WeakPolarHBondContact O-CA 3.42Å; M387-R390 PolarHBondContact O-N 3.38Å |
| 388 | L | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -35.5 | 174.1 | -71.8 | 174.9 | 0 | 0 | 0 | 112 | V340 F342 V384 I385 R390 Y414 L501 V531 | V340-L388 HydrophobicContact CB-CD2 4.37Å; V340-L388 HydrophobicContact CG1-CD2 3.58Å; V340-L388 HydrophobicContact CG2-CD2 4.32Å; F342-L388 HydrophobicContact CE2-CD2 3.72Å; F342-L388 HydrophobicContact CE2-CG 4.28Å; F342-L388 HydrophobicContact CZ-CD2 3.66Å; F342-L388 HydrophobicContact CZ-CG 3.89Å; V384-L388 WeakPolarHBondContact O-CG 3.35Å; V384-L388 PolarHBondContact O-N 3.17Å; I385-L388 PolarHBondContact O-N 2.91Å; L388-R390 PolarHBondContact O-N 3.34Å; L388-Y414 WeakPolarHBondContact O-CE1 3.36Å; L388-Y414 VanDerWaalsContact O-CZ 3.28Å; L388-Y414 PolarHBondContact O-OH 3.19Å; L388-L501 HydrophobicContact CB-CD1 4Å; L388-L501 HydrophobicContact CB-CD2 4.33Å; L388-L501 HydrophobicContact CD1-CD2 3.59Å; L388-V531 HydrophobicContact CD1-CB 4.22Å; L388-V531 HydrophobicContact CD1-CG1 4.16Å; L388-V531 HydrophobicContact CD1-CG2 3.9Å |
| 389 | Q | 92 | Very high | 91.4 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.1 | 175.6 | -69.7 | 173.1 | 90.7 | 0 | 0 | 113.7 | I385 H386 M387 F391 R415 C420 L501 | I385-Q389 PolarHBondContact O-N 3.17Å; I385-Q389 VanDerWaalsContact O-N 3.11Å; I385-Q389 PolarHBondContact O-NE2 2.94Å; H386-Q389 PolarHBondContact O-N 2.97Å; M387-Q389 VanDerWaalsContact C-N 3.26Å; M387-Q389 PolarHBondContact O-N 2.97Å; Q389-F391 VanDerWaalsContact C-N 3.29Å; Q389-F391 HydrophobicContact CB-CD1 3.97Å; Q389-F391 HydrophobicContact CB-CD2 4.09Å; Q389-F391 HydrophobicContact CB-CE1 3.86Å; Q389-F391 HydrophobicContact CB-CE2 3.98Å; Q389-F391 HydrophobicContact CB-CG 4.09Å; Q389-F391 HydrophobicContact CB-CZ 3.88Å; Q389-F391 HydrophobicContact CG-CE2 4.4Å; Q389-F391 HydrophobicContact CG-CZ 4.33Å; Q389-F391 PolarHBondContact O-N 3.28Å; Q389-R415 PolarHBondContact O-NE 2.78Å; Q389-R415 PolarHBondContact O-NH2 2.88Å; Q389-C420 PolarHBondContact OE1-SG 3.3Å; Q389-L501 HydrophobicContact CG-CD1 3.56Å |
| 390 | R | 92.8 | Very high | 91.8 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 11% | 0.109 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 50.2 | -170.2 | -165.5 | 168.4 | 166.5 | -151.3 | -4.3 | 111.4 | I324 H386 M387 L388 Y392 D393 I406 K407 L411 R415 | I324-R390 HydrophobicContact CD1-CG 4.47Å; I324-R390 HydrophobicContact CG2-CG 4.45Å; H386-R390 PolarHBondContact O-N 3.05Å; M387-R390 WeakPolarHBondContact O-CA 3.42Å; M387-R390 PolarHBondContact O-N 3.38Å; L388-R390 PolarHBondContact O-N 3.34Å; R390-Y392 VanDerWaalsContact C-N 3.35Å; R390-D393 IonicContact NE-OD1 3.14Å; R390-D393 PolarHBondContact NE-OD1 3.3Å; R390-I406 HydrophobicContact CB-CD1 3.78Å; R390-I406 HydrophobicContact CB-CG1 4.33Å; R390-I406 HydrophobicContact CG-CD1 4.35Å; R390-I406 PolarHBondContact NH1-O 2.71Å; R390-K407 VanDerWaalsContact CZ-CA 3.43Å; R390-K407 PolarHBondContact NH1-O 3.23Å; R390-K407 PolarHBondContact NH2-O 3.02Å; R390-K407 VanDerWaalsContact NH2-O 3.1Å; R390-L411 HydrophobicContact CB-CD1 3.87Å; R390-L411 HydrophobicContact CG-CD1 4.26Å; R390-R415 PolarHBondContact O-NH2 2.85Å; R390-R415 VanDerWaalsContact O-NH2 3.12Å |
| 391 | F | 92.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -79 | -27 | 166.7 | -68.1 | -20 | 0 | 0 | 0 | 111.8 | I109 H386 Q389 Y862 T865 A866 | I109-F391 HydrophobicContact CB-CB 4.1Å; I109-F391 HydrophobicContact CB-CG 4.4Å; I109-F391 HydrophobicContact CD1-CB 4.2Å; I109-F391 HydrophobicContact CD1-CD1 3.49Å; I109-F391 VanDerWaalsContact CD1-CD1 3.49Å; I109-F391 HydrophobicContact CD1-CD2 3.71Å; I109-F391 HydrophobicContact CD1-CE1 3.61Å; I109-F391 HydrophobicContact CD1-CE2 3.83Å; I109-F391 HydrophobicContact CD1-CG 3.54Å; I109-F391 HydrophobicContact CD1-CZ 3.77Å; I109-F391 HydrophobicContact CG1-CB 4.16Å; I109-F391 HydrophobicContact CG1-CD1 3.83Å; I109-F391 HydrophobicContact CG1-CE1 4.34Å; I109-F391 HydrophobicContact CG1-CG 3.96Å; I109-F391 HydrophobicContact CG2-CB 4.46Å; H386-F391 HydrophobicContact CB-CB 4.43Å; H386-F391 HydrophobicContact CB-CD2 4.3Å; H386-F391 PolarHBondContact O-N 3.15Å; Q389-F391 VanDerWaalsContact C-N 3.29Å; Q389-F391 HydrophobicContact CB-CD1 3.97Å; Q389-F391 HydrophobicContact CB-CD2 4.09Å; Q389-F391 HydrophobicContact CB-CE1 3.86Å; Q389-F391 HydrophobicContact CB-CE2 3.98Å; Q389-F391 HydrophobicContact CB-CG 4.09Å; Q389-F391 HydrophobicContact CB-CZ 3.88Å; Q389-F391 HydrophobicContact CG-CE2 4.4Å; Q389-F391 HydrophobicContact CG-CZ 4.33Å; Q389-F391 PolarHBondContact O-N 3.28Å; F391-Y862 AromaticContact CD2-CD1 3.92Å; F391-Y862 HydrophobicContact CD2-CD1 3.92Å; F391-Y862 HydrophobicContact CD2-CE1 4.06Å; F391-Y862 AromaticContact CE2-CD1 3.68Å; F391-Y862 HydrophobicContact CE2-CD1 3.68Å; F391-Y862 HydrophobicContact CE2-CE1 4.29Å; F391-Y862 HydrophobicContact CZ-CD1 4.47Å; F391-T865 HydrophobicContact CD1-CG2 4.33Å; F391-T865 HydrophobicContact CE1-CG2 3.88Å; F391-A866 HydrophobicContact CZ-CB 4.08Å |
| 392 | Y | 92.5 | Very high | 91.8 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -136 | 152.1 | 174.4 | -48.7 | -88.1 | 0 | 0 | 0 | 108.3 | I109 A110 D113 F347 Y349 H386 R390 Y862 | I109-Y392 WeakPolarHBondContact CG2-OH 3.25Å; A110-Y392 HydrophobicContact CB-CD1 4.11Å; A110-Y392 HydrophobicContact CB-CE1 4.08Å; D113-Y392 WeakPolarHBondContact OD2-CE1 3.42Å; D113-Y392 PolarHBondContact OD2-OH 3.08Å; F347-Y392 HydrophobicContact CE2-CD1 4.39Å; F347-Y392 HydrophobicContact CE2-CG 4.13Å; F347-Y392 AromaticContact CZ-CD1 3.85Å; F347-Y392 HydrophobicContact CZ-CD1 3.85Å; F347-Y392 HydrophobicContact CZ-CD2 4.26Å; F347-Y392 AromaticContact CZ-CG 3.63Å; F347-Y392 HydrophobicContact CZ-CG 3.63Å; Y349-Y392 HydrophobicContact CD1-CD1 4.42Å; Y349-Y392 AromaticContact CD1-CE1 3.91Å; Y349-Y392 HydrophobicContact CD1-CE1 3.91Å; Y349-Y392 HydrophobicContact CD1-CE2 4.33Å; Y349-Y392 AromaticContact CD1-CZ 3.88Å; Y349-Y392 HydrophobicContact CE1-CD2 4.18Å; Y349-Y392 HydrophobicContact CE1-CE1 4.07Å; Y349-Y392 AromaticContact CE1-CE2 3.65Å; Y349-Y392 HydrophobicContact CE1-CE2 3.65Å; Y349-Y392 AromaticContact CE1-CZ 3.58Å; H386-Y392 HydrophobicContact CB-CD2 3.8Å; H386-Y392 HydrophobicContact CB-CE2 3.81Å; H386-Y392 AromaticContact ND1-CE2 3.9Å; R390-Y392 VanDerWaalsContact C-N 3.35Å; Y392-Y862 PolarHBondContact OH-OH 3.32Å |
| 393 | D | 91.2 | Very high | 91.5 | Very high | 44 Ų | 44 | 36.3 Ų | 36.3 | 24% | 0.235 | 19% | 0.189 | C | C | . | . | trans | -96.9 | 149.2 | 169.3 | -83 | -6.1 | 0 | 0 | 0 | 109.5 | R390 K407 | R390-D393 IonicContact NE-OD1 3.14Å; R390-D393 PolarHBondContact NE-OD1 3.3Å; D393-K407 VanDerWaalsContact OD2-CE 3.28Å; D393-K407 WeakPolarHBondContact OD2-CE 3.41Å; D393-K407 IonicContact OD2-NZ 3.69Å | ||
| 394 | P | 91.7 | Very high | 91.4 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | trans | -68.5 | 141.8 | 177.5 | 29.8 | -36.5 | 0 | 0 | 0 | 111.5 | V345 | V345-P394 HydrophobicContact CG1-CB 3.77Å; V345-P394 HydrophobicContact CG2-CB 4.42Å | ||
| 395 | T | 90.2 | Very high | 91.3 | Very high | 97 Ų | 97 | 38.6 Ų | 38.6 | 60% | 0.595 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -68.9 | -37.2 | 175.8 | -45.9 | 0 | 0 | 0 | 0 | 111.3 | S346 | S346-T395 WeakPolarHBondContact O-CA 3.49Å; S346-T395 WeakPolarHBondContact O-CB 3.41Å; S346-T395 PolarHBondContact O-N 3.26Å |
| 396 | K | 91.7 | Very high | 91.2 | Very high | 145 Ų | 145 | 38.7 Ų | 38.7 | 63% | 0.63 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 155.4 | 170.5 | -62.4 | -174.8 | 179.3 | 178.9 | 0 | 109.5 | V345 S346 | V345-K396 CarbonylContact C-O 3.56Å; V345-K396 VanDerWaalsContact CA-O 3.31Å; V345-K396 WeakPolarHBondContact CA-O 2.93Å; S346-K396 PolarHBondContact N-O 3.33Å; S346-K396 PolarHBondContact O-N 3.11Å; S346-K396 VanDerWaalsContact O-N 3.12Å |
| 397 | G | 91.4 | Very high | 91 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.8 | -174.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | S343 N344 | S343-G397 WeakPolarHBondContact O-CA 3.26Å; N344-G397 WeakPolarHBondContact O-CA 3.17Å |
| 398 | K | 93.2 | Very high | 90.8 | Very high | 117 Ų | 117 | 45.7 Ų | 45.7 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 148.8 | -177.8 | -63.4 | -177.1 | 176.8 | -174.7 | 0 | 111 | S343 V345 L400 D405 | S343-K398 PolarHBondContact N-O 3.21Å; S343-K398 PolarHBondContact O-N 3.21Å; V345-K398 WeakPolarHBondContact CG2-O 2.99Å; K398-L400 HydrophobicContact CB-CD2 4.46Å; K398-D405 WeakPolarHBondContact CD-OD2 3.18Å |
| 399 | V | 93.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.3 | 169.3 | -176.9 | 0 | 0 | 0 | 0 | 106.6 | V340 F342 V345 I406 | V340-V399 HydrophobicContact CG1-CG1 4.23Å; F342-V399 HydrophobicContact CD1-CG1 4.38Å; F342-V399 HydrophobicContact CD1-CG2 3.7Å; F342-V399 HydrophobicContact CE1-CG1 4.09Å; F342-V399 HydrophobicContact CE1-CG2 3.67Å; F342-V399 HydrophobicContact CZ-CG1 4.15Å; V345-V399 HydrophobicContact CG2-CG2 4.08Å; V399-I406 HydrophobicContact CB-CG2 4.01Å; V399-I406 PolarHBondContact O-N 2.89Å |
| 400 | L | 92.8 | Very high | 90.5 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 20% | 0.204 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.4 | -175.8 | -58 | 169 | 0 | 0 | 0 | 109.4 | V340 T341 K398 E404 D405 | V340-L400 CarbonylContact C-O 3.59Å; V340-L400 WeakPolarHBondContact CA-O 3.33Å; T341-L400 PolarHBondContact N-O 3.02Å; T341-L400 PolarHBondContact O-N 2.99Å; K398-L400 HydrophobicContact CB-CD2 4.46Å; L400-E404 CarbonylContact C-O 3.59Å; L400-E404 WeakPolarHBondContact CA-O 3.43Å; L400-D405 HydrophobicContact CD2-CB 4.24Å |
| 401 | I | 90.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 117.7 | 176.9 | -55 | -163.4 | 0 | 0 | 0 | 107.5 | I333 F336 D403 E404 I406 Y414 | I333-I401 HydrophobicContact CD1-CG2 4.29Å; F336-I401 HydrophobicContact CD2-CG2 3.9Å; F336-I401 HydrophobicContact CE2-CG2 3.42Å; F336-I401 VanDerWaalsContact CE2-CG2 3.42Å; I401-D403 PolarHBondContact O-N 3.45Å; I401-E404 PolarHBondContact N-O 2.76Å; I401-E404 PolarHBondContact O-N 2.91Å; I401-I406 HydrophobicContact CD1-CB 4.18Å; I401-I406 HydrophobicContact CD1-CD1 3.69Å; I401-I406 HydrophobicContact CD1-CG1 3.59Å; I401-I406 HydrophobicContact CG1-CB 4.26Å; I401-I406 HydrophobicContact CG1-CD1 4.48Å; I401-I406 HydrophobicContact CG1-CG1 4.22Å; I401-Y414 HydrophobicContact CD1-CD2 3.95Å; I401-Y414 HydrophobicContact CD1-CE1 3.88Å; I401-Y414 HydrophobicContact CD1-CE2 3.18Å; I401-Y414 WeakPolarHBondContact CD1-OH 3.37Å; I401-Y414 HydrophobicContact CG2-CE2 4.31Å |
| 402 | E | 86.9 | Confident | 90.1 | Very high | 49 Ų | 49 | 48.3 Ų | 48.3 | 23% | 0.229 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 45.4 | -170.9 | -52.5 | -61.7 | 165.4 | 0 | 0 | 111.9 | I333 F336 S337 G338 N339 E404 | I333-E402 HydrophobicContact CG2-CG 4.25Å; F336-E402 HydrophobicContact CD2-CG 4.17Å; S337-E402 WeakPolarHBondContact CA-OE1 3.37Å; S337-E402 WeakPolarHBondContact CB-OE1 3.24Å; S337-E402 PolarHBondContact N-OE1 2.99Å; S337-E402 VanDerWaalsContact OG-CD 3.26Å; S337-E402 PolarHBondContact OG-OE1 3.2Å; S337-E402 PolarHBondContact OG-OE2 3.42Å; G338-E402 PolarHBondContact N-OE1 3.31Å; N339-E402 PolarHBondContact N-OE1 2.98Å; N339-E402 PolarHBondContact ND2-OE2 3.02Å; N339-E402 PolarHBondContact O-N 3.22Å; N339-E402 VanDerWaalsContact O-N 3.11Å; E402-E404 PolarHBondContact O-N 3.13Å; E402-E404 VanDerWaalsContact O-N 3.17Å |
| 403 | D | 84.5 | Confident | 89.9 | Confident | 141 Ų | 141 | 49.6 Ų | 49.6 | 75% | 0.754 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 5.8 | -176.8 | -56.6 | -42.9 | 0 | 0 | 0 | 116.5 | I401 | I401-D403 PolarHBondContact O-N 3.45Š|
| 404 | E | 88.8 | Confident | 89.9 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 16% | 0.159 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.2 | 176.5 | -170.8 | 151.7 | -144.1 | 0 | 0 | 111.9 | R331 L400 I401 E402 I406 N408 V409 | R331-E404 WeakPolarHBondContact CD-OE1 3.37Å; R331-E404 WeakPolarHBondContact CD-OE2 3.21Å; R331-E404 IonicContact CZ-OE1 3.31Å; R331-E404 IonicContact CZ-OE2 3.62Å; R331-E404 IonicContact NE-OE1 3.07Å; R331-E404 IonicContact NE-OE2 2.82Å; R331-E404 IonicContact NH1-OE1 2.77Å; R331-E404 PolarHBondContact NH1-OE1 2.87Å; R331-E404 IonicContact NH1-OE2 3.51Å; R331-E404 PolarHBondContact NH1-OE2 3.2Å; L400-E404 CarbonylContact C-O 3.59Å; L400-E404 WeakPolarHBondContact CA-O 3.43Å; I401-E404 PolarHBondContact N-O 2.76Å; I401-E404 PolarHBondContact O-N 2.91Å; E402-E404 PolarHBondContact O-N 3.13Å; E402-E404 VanDerWaalsContact O-N 3.17Å; E404-I406 PolarHBondContact O-N 3.1Å; E404-N408 HydrophobicContact CG-CB 4.39Å; E404-V409 HydrophobicContact CG-CG2 4.18Å |
| 405 | D | 90.7 | Very high | 89.9 | Confident | 22 Ų | 22 | 47.8 Ų | 47.8 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 126.4 | 176.1 | -166 | -28.1 | 0 | 0 | 0 | 109.8 | K398 L400 K407 N408 | K398-D405 WeakPolarHBondContact CD-OD2 3.18Å; L400-D405 HydrophobicContact CD2-CB 4.24Å; D405-K407 PolarHBondContact O-N 2.94Å; D405-K407 WeakPolarHBondContact OD1-CG 3.43Å; D405-K407 PolarHBondContact OD1-N 2.92Å; D405-N408 PolarHBondContact O-N 2.98Å |
| 406 | I | 90.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -24.4 | 180 | -159.9 | 176.1 | 0 | 0 | 0 | 112.1 | R390 V399 I401 E404 N408 V409 Y414 | R390-I406 HydrophobicContact CB-CD1 3.78Å; R390-I406 HydrophobicContact CB-CG1 4.33Å; R390-I406 HydrophobicContact CG-CD1 4.35Å; R390-I406 PolarHBondContact NH1-O 2.71Å; V399-I406 HydrophobicContact CB-CG2 4.01Å; V399-I406 PolarHBondContact O-N 2.89Å; I401-I406 HydrophobicContact CD1-CB 4.18Å; I401-I406 HydrophobicContact CD1-CD1 3.69Å; I401-I406 HydrophobicContact CD1-CG1 3.59Å; I401-I406 HydrophobicContact CG1-CB 4.26Å; I401-I406 HydrophobicContact CG1-CD1 4.48Å; I401-I406 HydrophobicContact CG1-CG1 4.22Å; E404-I406 PolarHBondContact O-N 3.1Å; I406-N408 VanDerWaalsContact C-N 3.3Å; I406-N408 PolarHBondContact O-N 3.06Å; I406-V409 PolarHBondContact O-N 3.06Å; I406-Y414 HydrophobicContact CD1-CE1 3.8Å; I406-Y414 HydrophobicContact CG1-CE1 4.2Å |
| 407 | K | 88.2 | Confident | 89.7 | Confident | 82 Ų | 82 | 43.1 Ų | 43.1 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -33.8 | 176 | -69.1 | -174.7 | -179.1 | -166.1 | 0 | 114.1 | R390 D393 D405 | R390-K407 VanDerWaalsContact CZ-CA 3.43Å; R390-K407 PolarHBondContact NH1-O 3.23Å; R390-K407 PolarHBondContact NH2-O 3.02Å; R390-K407 VanDerWaalsContact NH2-O 3.1Å; D393-K407 VanDerWaalsContact OD2-CE 3.28Å; D393-K407 WeakPolarHBondContact OD2-CE 3.41Å; D393-K407 IonicContact OD2-NZ 3.69Å; D405-K407 PolarHBondContact O-N 2.94Å; D405-K407 WeakPolarHBondContact OD1-CG 3.43Å; D405-K407 PolarHBondContact OD1-N 2.92Å |
| 408 | N | 89 | Confident | 89.7 | Confident | 96 Ų | 96 | 41.9 Ų | 41.9 | 51% | 0.513 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -13.1 | -175.6 | -61.9 | -25.4 | 0 | 0 | 0 | 113.1 | G330 R331 E404 D405 I406 | G330-N408 CarbonylContact C-O 3.53Å; G330-N408 WeakPolarHBondContact CA-O 3.47Å; R331-N408 PolarHBondContact N-O 3.36Å; E404-N408 HydrophobicContact CG-CB 4.39Å; D405-N408 PolarHBondContact O-N 2.98Å; I406-N408 VanDerWaalsContact C-N 3.3Å; I406-N408 PolarHBondContact O-N 3.06Å |
| 409 | V | 88.4 | Confident | 89.6 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -79.4 | 144.5 | -177.6 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | R331 I333 E404 I406 L411 | R331-V409 WeakPolarHBondContact O-CA 3.42Å; I333-V409 HydrophobicContact CD1-CG1 3.85Å; I333-V409 HydrophobicContact CD1-CG2 3.76Å; I333-V409 HydrophobicContact CG1-CG1 4.19Å; I333-V409 HydrophobicContact CG1-CG2 4.46Å; E404-V409 HydrophobicContact CG-CG2 4.18Å; I406-V409 PolarHBondContact O-N 3.06Å; V409-L411 PolarHBondContact O-N 2.8Å |
| 410 | D | 89.8 | Confident | 89.5 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 11% | 0.107 | 19% | 0.188 | C | C | . | . | trans | -63.7 | 117 | 172.1 | -173.8 | 86.6 | 0 | 0 | 0 | 111 | G330 R331 L332 K412 A413 Y414 | G330-D410 PolarHBondContact N-OD1 3.37Å; R331-D410 PolarHBondContact O-N 2.89Å; L332-D410 HydrophobicContact CD2-CB 3.86Å; D410-K412 PolarHBondContact O-N 2.93Å; D410-K412 PolarHBondContact OD2-N 2.79Å; D410-A413 HydrophobicContact CB-CB 4.08Å; D410-A413 PolarHBondContact O-N 3.05Å; D410-A413 WeakPolarHBondContact OD2-CB 3.28Å; D410-A413 PolarHBondContact OD2-N 2.8Å; D410-Y414 VanDerWaalsContact O-CB 3.23Å; D410-Y414 WeakPolarHBondContact O-CB 3.42Å; D410-Y414 PolarHBondContact O-N 2.8Å | ||
| 411 | L | 89.7 | Confident | 89.4 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.3 | -37.2 | -169.2 | -172.9 | 61.1 | 0 | 0 | 0 | 113 | I324 K326 R390 V409 R415 | I324-L411 HydrophobicContact CG2-CD2 3.81Å; K326-L411 HydrophobicContact CB-CD2 4.4Å; K326-L411 HydrophobicContact CG-CD2 4.16Å; R390-L411 HydrophobicContact CB-CD1 3.87Å; R390-L411 HydrophobicContact CG-CD1 4.26Å; V409-L411 PolarHBondContact O-N 2.8Å; L411-R415 HydrophobicContact CD1-CG 4.39Å; L411-R415 WeakPolarHBondContact O-CB 3.18Å; L411-R415 WeakPolarHBondContact O-CG 3.39Å; L411-R415 PolarHBondContact O-N 2.71Å |
| 412 | K | 88.3 | Confident | 89.3 | Confident | 60 Ų | 60 | 36.5 Ų | 36.5 | 26% | 0.261 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70.5 | -46.6 | 179.6 | -72.7 | -170.7 | 178.5 | -172.1 | 0 | 110.4 | D410 Y414 R415 N416 T868 D871 | D410-K412 PolarHBondContact O-N 2.93Å; D410-K412 PolarHBondContact OD2-N 2.79Å; K412-Y414 VanDerWaalsContact C-N 3.31Å; K412-Y414 PolarHBondContact O-N 2.85Å; K412-R415 PolarHBondContact O-N 3.33Å; K412-N416 PolarHBondContact O-N 3.09Å; K412-N416 VanDerWaalsContact O-N 3.11Å; K412-N416 PolarHBondContact O-ND2 3.14Å; K412-N416 PolarHBondContact O-OD1 3.31Å; K412-T868 HydrophobicContact CG-CG2 4.49Å; K412-D871 IonicContact NZ-OD2 2.76Å; K412-D871 PolarHBondContact NZ-OD2 3.35Å |
| 413 | A | 87.8 | Confident | 89.2 | Confident | 33 Ų | 33 | 38 Ų | 38 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L332 D410 N416 | L332-A413 HydrophobicContact CD2-CB 3.54Å; D410-A413 HydrophobicContact CB-CB 4.08Å; D410-A413 PolarHBondContact O-N 3.05Å; D410-A413 WeakPolarHBondContact OD2-CB 3.28Å; D410-A413 PolarHBondContact OD2-N 2.8Å; A413-N416 PolarHBondContact O-N 3.29Å |
| 414 | Y | 90.6 | Very high | 89 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -51.1 | 177 | 174 | -119.8 | 0 | 0 | 0 | 112.6 | F336 L388 I401 I406 D410 K412 N416 Q417 I418 | F336-Y414 HydrophobicContact CE2-CE2 4.28Å; F336-Y414 HydrophobicContact CZ-CE2 4.27Å; L388-Y414 WeakPolarHBondContact O-CE1 3.36Å; L388-Y414 VanDerWaalsContact O-CZ 3.28Å; L388-Y414 PolarHBondContact O-OH 3.19Å; I401-Y414 HydrophobicContact CD1-CD2 3.95Å; I401-Y414 HydrophobicContact CD1-CE1 3.88Å; I401-Y414 HydrophobicContact CD1-CE2 3.18Å; I401-Y414 WeakPolarHBondContact CD1-OH 3.37Å; I401-Y414 HydrophobicContact CG2-CE2 4.31Å; I406-Y414 HydrophobicContact CD1-CE1 3.8Å; I406-Y414 HydrophobicContact CG1-CE1 4.2Å; D410-Y414 VanDerWaalsContact O-CB 3.23Å; D410-Y414 WeakPolarHBondContact O-CB 3.42Å; D410-Y414 PolarHBondContact O-N 2.8Å; K412-Y414 VanDerWaalsContact C-N 3.31Å; K412-Y414 PolarHBondContact O-N 2.85Å; Y414-N416 PolarHBondContact O-N 3.1Å; Y414-Q417 WeakPolarHBondContact O-CB 3.3Å; Y414-Q417 PolarHBondContact O-N 3.23Å; Y414-I418 HydrophobicContact CD1-CD1 3.96Å; Y414-I418 HydrophobicContact CD2-CD1 4.37Å; Y414-I418 HydrophobicContact CE1-CD1 3.4Å; Y414-I418 VanDerWaalsContact CE1-CD1 3.4Å; Y414-I418 HydrophobicContact CE2-CD1 3.84Å; Y414-I418 HydrophobicContact CE2-CG1 4.22Å; Y414-I418 HydrophobicContact CG-CD1 4.41Å |
| 415 | R | 91.7 | Very high | 88.8 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 3% | 0.034 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -27.1 | 179.2 | -74.2 | 179.8 | -179.3 | 156.5 | 2.9 | 113.6 | Q389 R390 L411 K412 Q417 I418 R495 T865 T868 | Q389-R415 PolarHBondContact O-NE 2.78Å; Q389-R415 PolarHBondContact O-NH2 2.88Å; R390-R415 PolarHBondContact O-NH2 2.85Å; R390-R415 VanDerWaalsContact O-NH2 3.12Å; L411-R415 HydrophobicContact CD1-CG 4.39Å; L411-R415 WeakPolarHBondContact O-CB 3.18Å; L411-R415 WeakPolarHBondContact O-CG 3.39Å; L411-R415 PolarHBondContact O-N 2.71Å; K412-R415 PolarHBondContact O-N 3.33Å; R415-Q417 PolarHBondContact O-N 3.05Å; R415-I418 PolarHBondContact O-N 3.28Å; R415-R495 PolarHBondContact O-NH1 2.97Å; R415-T865 WeakPolarHBondContact CD-O 3.3Å; R415-T865 PolarHBondContact NH1-O 3.46Å; R415-T868 HydrophobicContact CB-CG2 3.75Å |
| 416 | N | 88.8 | Confident | 88.6 | Confident | 73 Ų | 73 | 38.1 Ų | 38.1 | 39% | 0.39 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.6 | -21.6 | 172.8 | -71.7 | -11 | 0 | 0 | 0 | 112.8 | K412 A413 Y414 I418 T868 | K412-N416 PolarHBondContact O-N 3.09Å; K412-N416 VanDerWaalsContact O-N 3.11Å; K412-N416 PolarHBondContact O-ND2 3.14Å; K412-N416 PolarHBondContact O-OD1 3.31Å; A413-N416 PolarHBondContact O-N 3.29Å; Y414-N416 PolarHBondContact O-N 3.1Å; N416-I418 VanDerWaalsContact C-N 3.35Å; N416-T868 PolarHBondContact OD1-OG1 3.26Å |
| 417 | Q | 89.4 | Confident | 88.5 | Confident | 71 Ų | 71 | 38.1 Ų | 38.1 | 33% | 0.332 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -4.8 | 175 | -58.1 | -62 | -42.3 | 0 | 0 | 113.6 | F336 Y414 R415 P497 K498 L499 | F336-Q417 HydrophobicContact CB-CG 4.47Å; F336-Q417 HydrophobicContact CD1-CB 3.61Å; F336-Q417 HydrophobicContact CD1-CG 4.02Å; F336-Q417 HydrophobicContact CE1-CB 3.85Å; F336-Q417 HydrophobicContact CG-CB 4.43Å; F336-Q417 HydrophobicContact CG-CG 4.47Å; Y414-Q417 WeakPolarHBondContact O-CB 3.3Å; Y414-Q417 PolarHBondContact O-N 3.23Å; R415-Q417 PolarHBondContact O-N 3.05Å; Q417-P497 WeakPolarHBondContact O-CA 3.14Å; Q417-K498 PolarHBondContact O-N 3.24Å; Q417-L499 PolarHBondContact O-N 3.32Å |
| 418 | I | 91.5 | Very high | 88.5 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.3 | -176.4 | -55 | 170.6 | 0 | 0 | 0 | 110.1 | Y414 R415 N416 L499 L501 | Y414-I418 HydrophobicContact CD1-CD1 3.96Å; Y414-I418 HydrophobicContact CD2-CD1 4.37Å; Y414-I418 HydrophobicContact CE1-CD1 3.4Å; Y414-I418 VanDerWaalsContact CE1-CD1 3.4Å; Y414-I418 HydrophobicContact CE2-CD1 3.84Å; Y414-I418 HydrophobicContact CE2-CG1 4.22Å; Y414-I418 HydrophobicContact CG-CD1 4.41Å; R415-I418 PolarHBondContact O-N 3.28Å; N416-I418 VanDerWaalsContact C-N 3.35Å; I418-L499 WeakPolarHBondContact CA-O 3.4Å; I418-L499 HydrophobicContact CG1-CD2 4.36Å; I418-L501 HydrophobicContact CG2-CD1 3.59Å; I418-L501 HydrophobicContact CG2-CG 3.82Å |
| 419 | G | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | L499 L500 L501 | G419-L499 PolarHBondContact N-O 2.94Å; G419-L500 CarbonylContact O-C 3.55Å; G419-L500 WeakPolarHBondContact O-CA 3.42Å; G419-L501 PolarHBondContact O-N 3.38Å |
| 420 | C | 91.5 | Very high | 88.4 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.5 | -179.6 | -175.9 | 0 | 0 | 0 | 0 | 110 | Q389 L501 | Q389-C420 PolarHBondContact OE1-SG 3.3Å; C420-L501 WeakPolarHBondContact CA-O 3.23Å |
| 421 | V | 90.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 116.3 | 171.1 | -173.6 | 0 | 0 | 0 | 0 | 107.6 | I489 A492 L501 L502 D503 A505 | V421-I489 HydrophobicContact CG1-CG1 4.41Å; V421-I489 HydrophobicContact CG2-CG1 4.02Å; V421-A492 HydrophobicContact CG2-CB 4.14Å; V421-L501 PolarHBondContact N-O 3.24Å; V421-L502 HydrophobicContact CB-CD2 3.78Å; V421-L502 HydrophobicContact CG2-CD2 3.7Å; V421-D503 PolarHBondContact O-N 2.94Å; V421-A505 HydrophobicContact CG1-CB 4.03Å |
| 422 | Q | 87.5 | Confident | 88.6 | Confident | 35 Ų | 35 | 31.5 Ų | 31.5 | 16% | 0.164 | 16% | 0.163 | C | C | . | . | trans | -86.8 | 158.7 | -177.3 | -66.3 | 174 | -26.2 | 0 | 0 | 111 | E424 T863 | Q422-E424 VanDerWaalsContact C-N 3.32Å; Q422-E424 PolarHBondContact O-N 3.05Å; Q422-T863 PolarHBondContact OE1-OG1 3.28Å | ||
| 423 | Q | 84.2 | Confident | 88.8 | Confident | 81 Ų | 81 | 28.9 Ų | 28.9 | 38% | 0.379 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -54.1 | -47.1 | 178.4 | -169 | -175 | 25.3 | 0 | 0 | 112.1 | D503 E504 S507 | Q423-D503 VanDerWaalsContact CA-O 3.25Å; Q423-D503 WeakPolarHBondContact CA-O 3.15Å; Q423-D503 PolarHBondContact N-O 2.95Å; Q423-E504 HydrophobicContact CB-CB 4.3Å; Q423-E504 HydrophobicContact CG-CB 3.87Å; Q423-E504 PolarHBondContact NE2-OE2 3.18Å; Q423-S507 VanDerWaalsContact CG-OG 3.26Å; Q423-S507 WeakPolarHBondContact CG-OG 3.45Å; Q423-S507 PolarHBondContact NE2-OG 2.8Å |
| 424 | E | 80.8 | Confident | 89 | Confident | 146 Ų | 146 | 30 Ų | 30 | 68% | 0.682 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -103.3 | 113.2 | 170.9 | -68.2 | -169.3 | 169.9 | 0 | 0 | 110.2 | Q422 V426 | Q422-E424 VanDerWaalsContact C-N 3.32Å; Q422-E424 PolarHBondContact O-N 3.05Å; E424-V426 PolarHBondContact O-N 2.95Å |
| 425 | P | 84.3 | Confident | 89.1 | Confident | 22 Ų | 22 | 29.7 Ų | 29.7 | 14% | 0.143 | 15% | 0.152 | C | C | . | . | trans | -71.6 | 115.1 | 179.4 | 30.3 | -37.5 | 0 | 0 | 0 | 111.2 | K484 Q485 A488 | P425-K484 HydrophobicContact CB-CB 4.03Å; P425-K484 HydrophobicContact CG-CB 3.46Å; P425-K484 VanDerWaalsContact CG-CB 3.46Å; P425-Q485 HydrophobicContact CB-CG 4.14Å; P425-Q485 HydrophobicContact CG-CG 3.64Å; P425-A488 HydrophobicContact CB-CB 3.88Å | ||
| 426 | V | 85.9 | Confident | 89.3 | Confident | 30 Ų | 30 | 29.3 Ų | 29.3 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | trans | -83.7 | 123.4 | 173.1 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | E424 R491 S860 T863 | E424-V426 PolarHBondContact O-N 2.95Å; V426-R491 VanDerWaalsContact O-CZ 3.26Å; V426-R491 PolarHBondContact O-NH1 3.35Å; V426-R491 PolarHBondContact O-NH2 3.11Å; V426-S860 WeakPolarHBondContact CG1-OG 3.3Å; V426-T863 HydrophobicContact CB-CG2 4.45Å | ||
| 427 | L | 89 | Confident | 89.5 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | trans | -108.8 | 138.3 | 166.2 | -59.5 | -178.7 | 0 | 0 | 0 | 109.8 | N435 V472 R475 M479 K484 I487 | L427-N435 WeakPolarHBondContact CA-OD1 3.39Å; L427-N435 HydrophobicContact CD2-CB 4.45Å; L427-V472 HydrophobicContact CB-CG1 4.02Å; L427-V472 HydrophobicContact CD1-CG1 3.88Å; L427-R475 PolarHBondContact O-N 3.12Å; L427-M479 HydrophobicContact CD1-SD 4.23Å; L427-K484 HydrophobicContact CD1-CB 4.32Å; L427-K484 HydrophobicContact CD1-CG 3.98Å; L427-I487 HydrophobicContact CD1-CD1 4.27Å; L427-I487 HydrophobicContact CD2-CB 4.19Å; L427-I487 HydrophobicContact CD2-CG2 3.61Å | ||
| 428 | F | 89 | Confident | 89.7 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | trans | -90.8 | 155.1 | 179.6 | -63.2 | -82.1 | 0 | 0 | 0 | 110.6 | G430 N435 L438 E856 T863 V864 L869 F873 | F428-G430 PolarHBondContact O-N 3.12Å; F428-N435 PolarHBondContact N-OD1 3.36Å; F428-N435 PolarHBondContact O-ND2 3.04Å; F428-N435 PolarHBondContact O-OD1 2.83Å; F428-L438 HydrophobicContact CB-CD1 3.95Å; F428-L438 HydrophobicContact CD2-CD1 3.24Å; F428-L438 HydrophobicContact CE2-CD1 3.89Å; F428-L438 HydrophobicContact CG-CD1 3.78Å; F428-E856 WeakPolarHBondContact CA-OE1 3.47Å; F428-E856 WeakPolarHBondContact CB-OE1 3.48Å; F428-E856 HydrophobicContact CD1-CG 3.92Å; F428-E856 WeakPolarHBondContact CD1-OE1 3.49Å; F428-T863 HydrophobicContact CE2-CG2 3.99Å; F428-T863 HydrophobicContact CZ-CG2 4.07Å; F428-V864 HydrophobicContact CE1-CG2 3.85Å; F428-V864 HydrophobicContact CZ-CG2 3.82Å; F428-L869 HydrophobicContact CE2-CD1 4.3Å; F428-L869 HydrophobicContact CZ-CD1 4.48Å; F428-F873 HydrophobicContact CD1-CE1 4.3Å; F428-F873 HydrophobicContact CD1-CE2 4.3Å; F428-F873 AromaticContact CD1-CZ 3.52Å; F428-F873 HydrophobicContact CD1-CZ 3.52Å; F428-F873 AromaticContact CE1-CE2 3.98Å; F428-F873 HydrophobicContact CE1-CE2 3.98Å; F428-F873 AromaticContact CE1-CZ 3.65Å; F428-F873 HydrophobicContact CE1-CZ 3.65Å; F428-F873 HydrophobicContact CG-CZ 4.07Å; F428-F873 HydrophobicContact CZ-CE2 4.28Å; F428-F873 HydrophobicContact CZ-CZ 4.28Å | ||
| 429 | E | 86.7 | Confident | 89.7 | Confident | 34 Ų | 34 | 26.1 Ų | 26.1 | 16% | 0.159 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -65.8 | 113.4 | 176.6 | -172.6 | -172.3 | 166.7 | 0 | 0 | 110.4 | F471 V472 R852 E856 | E429-F471 HydrophobicContact CG-CE1 3.92Å; E429-F471 HydrophobicContact CG-CE2 4.5Å; E429-F471 HydrophobicContact CG-CZ 3.51Å; E429-V472 WeakPolarHBondContact CA-O 3.22Å; E429-R852 IonicContact OE1-CZ 3.16Å; E429-R852 IonicContact OE1-NH1 2.98Å; E429-R852 PolarHBondContact OE1-NH1 3.05Å; E429-R852 IonicContact OE1-NH2 3.75Å; E429-R852 PolarHBondContact OE1-NH2 3.36Å; E429-R852 IonicContact OE2-CZ 2.74Å; E429-R852 IonicContact OE2-NE 3.59Å; E429-R852 PolarHBondContact OE2-NE 2.85Å; E429-R852 IonicContact OE2-NH1 3.8Å; E429-R852 PolarHBondContact OE2-NH1 3.46Å; E429-R852 IonicContact OE2-NH2 3.78Å; E429-R852 PolarHBondContact OE2-NH2 2.86Å; E429-E856 PolarHBondContact N-OE1 3.38Å |
| 430 | G | 87.2 | Confident | 89.7 | Confident | 9 Ų | 9 | 28.7 Ų | 28.7 | 9% | 0.093 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.3 | -169.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F428 V472 | F428-G430 PolarHBondContact O-N 3.12Å; G430-V472 PolarHBondContact N-O 2.87Å; G430-V472 PolarHBondContact O-N 3.31Å |
| 431 | T | 91.7 | Very high | 89.6 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 14% | 0.141 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 165.7 | 176 | 65.8 | 0 | 0 | 0 | 0 | 111.7 | S433 D434 N435 D469 T470 | T431-S433 PolarHBondContact O-N 3.28Å; T431-S433 PolarHBondContact OG1-OG 2.97Å; T431-D434 PolarHBondContact N-OD2 3.2Å; T431-D434 VanDerWaalsContact N-OD2 3.13Å; T431-D434 PolarHBondContact O-N 3.01Å; T431-D434 PolarHBondContact OG1-N 2.91Å; T431-D434 PolarHBondContact OG1-OD2 3.31Å; T431-N435 PolarHBondContact O-N 2.88Å; T431-N435 PolarHBondContact O-ND2 3.31Å; T431-D469 WeakPolarHBondContact CG2-O 3.46Å; T431-T470 WeakPolarHBondContact CA-O 3.37Å |
| 432 | I | 92.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -40.1 | 169.9 | -64.7 | 176.5 | 0 | 0 | 0 | 109.9 | D434 N435 I436 I461 L464 Y468 T470 V472 M479 I487 | I432-D434 VanDerWaalsContact C-N 3.34Å; I432-D434 PolarHBondContact O-N 3.21Å; I432-N435 PolarHBondContact O-N 3.38Å; I432-I436 HydrophobicContact CG2-CD1 4.08Å; I432-I436 WeakPolarHBondContact O-CG1 3.49Å; I432-I436 PolarHBondContact O-N 3.01Å; I432-I436 VanDerWaalsContact O-N 3.08Å; I432-I461 HydrophobicContact CD1-CG1 4.37Å; I432-I461 HydrophobicContact CD1-CG2 4.49Å; I432-I461 HydrophobicContact CG2-CD1 3.85Å; I432-I461 HydrophobicContact CG2-CG1 4.24Å; I432-L464 HydrophobicContact CD1-CD1 3.36Å; I432-Y468 HydrophobicContact CG2-CD1 4.47Å; I432-Y468 PolarHBondContact N-O 3.02Å; I432-T470 PolarHBondContact N-O 3.36Å; I432-T470 VanDerWaalsContact N-O 3.13Å; I432-V472 HydrophobicContact CD1-CG2 4.43Å; I432-V472 HydrophobicContact CG1-CG2 3.59Å; I432-M479 HydrophobicContact CD1-CE 4.42Å; I432-I487 HydrophobicContact CD1-CD1 4.44Å; I432-I487 HydrophobicContact CG1-CD1 4.42Å; I432-I487 HydrophobicContact CG2-CD1 4.14Å; I432-I487 HydrophobicContact CG2-CG1 4.45Å |
| 433 | S | 93.7 | Very high | 89.8 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -44.4 | 175.6 | 83.5 | 0 | 0 | 0 | 0 | 112 | T431 N435 I436 R437 Y468 | T431-S433 PolarHBondContact O-N 3.28Å; T431-S433 PolarHBondContact OG1-OG 2.97Å; S433-N435 PolarHBondContact O-N 3.03Å; S433-I436 PolarHBondContact O-N 3.48Å; S433-R437 VanDerWaalsContact O-CB 3.31Å; S433-R437 WeakPolarHBondContact O-CB 3.36Å; S433-R437 PolarHBondContact O-N 3.33Å; S433-Y468 PolarHBondContact N-O 3.35Å |
| 434 | D | 91.9 | Very high | 90.2 | Very high | 57 Ų | 57 | 36.9 Ų | 36.9 | 31% | 0.305 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 178.8 | -64.3 | -40.8 | 0 | 0 | 0 | 111.1 | T431 I432 I436 R437 L438 | T431-D434 PolarHBondContact N-OD2 3.2Å; T431-D434 VanDerWaalsContact N-OD2 3.13Å; T431-D434 PolarHBondContact O-N 3.01Å; T431-D434 PolarHBondContact OG1-N 2.91Å; T431-D434 PolarHBondContact OG1-OD2 3.31Å; I432-D434 VanDerWaalsContact C-N 3.34Å; I432-D434 PolarHBondContact O-N 3.21Å; D434-I436 VanDerWaalsContact C-N 3.34Å; D434-I436 PolarHBondContact O-N 3.24Å; D434-R437 PolarHBondContact O-N 2.88Å; D434-R437 IonicContact OD1-NH1 2.79Å; D434-R437 PolarHBondContact OD1-NH1 3.45Å; D434-L438 WeakPolarHBondContact O-CG 3.34Å; D434-L438 PolarHBondContact O-N 3.41Å |
| 435 | N | 92.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 178.3 | -90.7 | -83 | 0 | 0 | 0 | 112.7 | L427 F428 T431 I432 S433 I487 R491 | L427-N435 WeakPolarHBondContact CA-OD1 3.39Å; L427-N435 HydrophobicContact CD2-CB 4.45Å; F428-N435 PolarHBondContact N-OD1 3.36Å; F428-N435 PolarHBondContact O-ND2 3.04Å; F428-N435 PolarHBondContact O-OD1 2.83Å; T431-N435 PolarHBondContact O-N 2.88Å; T431-N435 PolarHBondContact O-ND2 3.31Å; I432-N435 PolarHBondContact O-N 3.38Å; S433-N435 PolarHBondContact O-N 3.03Å; N435-I487 HydrophobicContact CB-CG2 4.43Å; N435-R491 VanDerWaalsContact O-CD 3.22Å; N435-R491 WeakPolarHBondContact O-CD 3.46Å |
| 436 | I | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.9 | -42.2 | 175.4 | -63.2 | 171.8 | 0 | 0 | 0 | 109.9 | I432 S433 D434 L438 G439 I448 A452 Y468 I487 A490 I494 | I432-I436 HydrophobicContact CG2-CD1 4.08Å; I432-I436 WeakPolarHBondContact O-CG1 3.49Å; I432-I436 PolarHBondContact O-N 3.01Å; I432-I436 VanDerWaalsContact O-N 3.08Å; S433-I436 PolarHBondContact O-N 3.48Å; D434-I436 VanDerWaalsContact C-N 3.34Å; D434-I436 PolarHBondContact O-N 3.24Å; I436-L438 PolarHBondContact O-N 2.92Å; I436-G439 PolarHBondContact O-N 3.29Å; I436-I448 HydrophobicContact CB-CG2 4.03Å; I436-I448 HydrophobicContact CD1-CG2 3.98Å; I436-I448 HydrophobicContact CG2-CB 4.34Å; I436-I448 HydrophobicContact CG2-CG1 4.24Å; I436-I448 HydrophobicContact CG2-CG2 3.9Å; I436-A452 HydrophobicContact CD1-CB 4.28Å; I436-Y468 HydrophobicContact CD1-CE1 4.3Å; I436-I487 HydrophobicContact CG1-CG2 4.13Å; I436-A490 HydrophobicContact CD1-CB 4.11Å; I436-A490 HydrophobicContact CG1-CB 4.12Å; I436-A490 HydrophobicContact CG2-CB 4.34Å; I436-I494 HydrophobicContact CG2-CD1 3.8Å |
| 437 | R | 94.6 | Very high | 91.6 | Very high | 72 Ų | 72 | 38.6 Ų | 38.6 | 27% | 0.272 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.7 | -25.1 | 177.8 | -166.3 | -178.8 | -65.2 | 128.7 | 3.7 | 113.3 | S433 D434 G439 K440 L441 I448 | S433-R437 VanDerWaalsContact O-CB 3.31Å; S433-R437 WeakPolarHBondContact O-CB 3.36Å; S433-R437 PolarHBondContact O-N 3.33Å; D434-R437 PolarHBondContact O-N 2.88Å; D434-R437 IonicContact OD1-NH1 2.79Å; D434-R437 PolarHBondContact OD1-NH1 3.45Å; R437-G439 PolarHBondContact O-N 3.27Å; R437-G439 VanDerWaalsContact O-N 3.1Å; R437-K440 CarbonylContact O-C 3.57Å; R437-K440 PolarHBondContact O-N 3.43Å; R437-L441 PolarHBondContact O-N 2.89Å; R437-I448 HydrophobicContact CB-CD1 4.09Å |
| 438 | L | 92.6 | Very high | 91.9 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.4 | 172.2 | -69.9 | 174.2 | 0 | 0 | 0 | 113.4 | F428 D434 I436 L441 L869 Y872 | F428-L438 HydrophobicContact CB-CD1 3.95Å; F428-L438 HydrophobicContact CD2-CD1 3.24Å; F428-L438 HydrophobicContact CE2-CD1 3.89Å; F428-L438 HydrophobicContact CG-CD1 3.78Å; D434-L438 WeakPolarHBondContact O-CG 3.34Å; D434-L438 PolarHBondContact O-N 3.41Å; I436-L438 PolarHBondContact O-N 2.92Å; L438-L441 HydrophobicContact CD2-CD2 4.29Å; L438-L869 HydrophobicContact CB-CD1 3.97Å; L438-L869 HydrophobicContact CB-CD2 4.24Å; L438-L869 HydrophobicContact CD1-CD1 4.42Å; L438-L869 HydrophobicContact CD2-CD1 4.19Å; L438-L869 HydrophobicContact CD2-CD2 3.89Å; L438-L869 HydrophobicContact CG-CD1 4.41Å; L438-L869 WeakPolarHBondContact O-CD2 3.26Å; L438-Y872 HydrophobicContact CD2-CD1 3.87Å; L438-Y872 HydrophobicContact CD2-CE1 3.62Å |
| 439 | G | 90.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -68 | -44.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I436 R437 R491 R495 | I436-G439 PolarHBondContact O-N 3.29Å; R437-G439 PolarHBondContact O-N 3.27Å; R437-G439 VanDerWaalsContact O-N 3.1Å; G439-R491 WeakPolarHBondContact CA-O 3.39Å; G439-R495 VanDerWaalsContact O-CG 3.22Å; G439-R495 WeakPolarHBondContact O-CG 3.44Å; G439-R495 PolarHBondContact O-NE 3.31Å; G439-R495 PolarHBondContact O-NH2 3.03Å; G439-R495 VanDerWaalsContact O-NH2 3.11Å |
| 440 | K | 91.8 | Very high | 92.5 | Very high | 55 Ų | 55 | 44.6 Ų | 44.6 | 24% | 0.239 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -140.6 | 103.4 | -180 | 177.9 | -176.6 | 174.2 | -156.9 | 0 | 108.8 | R437 D442 A443 E447 I494 | R437-K440 CarbonylContact O-C 3.57Å; R437-K440 PolarHBondContact O-N 3.43Å; K440-D442 WeakPolarHBondContact CE-OD1 3.26Å; K440-D442 WeakPolarHBondContact CE-OD2 3.39Å; K440-D442 WeakPolarHBondContact CG-OD1 3.49Å; K440-D442 PolarHBondContact O-N 3.46Å; K440-D442 VanDerWaalsContact O-N 3.16Å; K440-A443 HydrophobicContact CB-CB 4.17Å; K440-A443 HydrophobicContact CD-CB 4.28Å; K440-A443 HydrophobicContact CG-CB 4.2Å; K440-A443 WeakPolarHBondContact O-CB 3.39Å; K440-A443 PolarHBondContact O-N 2.91Å; K440-E447 IonicContact NZ-OE1 2.86Å; K440-E447 PolarHBondContact NZ-OE1 3.12Å; K440-E447 IonicContact NZ-OE2 3.83Å; K440-E447 PolarHBondContact NZ-OE2 2.84Å; K440-I494 HydrophobicContact CB-CG1 4.19Å; K440-I494 HydrophobicContact CB-CG2 3.99Å |
| 441 | L | 89.1 | Confident | 92.8 | Very high | 92 Ų | 92 | 44.4 Ų | 44.4 | 48% | 0.482 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.1 | -168.5 | -65.6 | 175.2 | 0 | 0 | 0 | 113.9 | R437 L438 L869 Y872 | R437-L441 PolarHBondContact O-N 2.89Å; L438-L441 HydrophobicContact CD2-CD2 4.29Å; L441-L869 HydrophobicContact CD2-CD2 4.15Å; L441-Y872 HydrophobicContact CD2-CD2 3.96Å; L441-Y872 HydrophobicContact CD2-CE2 4.44Å; L441-Y872 HydrophobicContact CD2-CG 4.23Å |
| 442 | D | 91 | Very high | 92.8 | Very high | 123 Ų | 123 | 43.3 Ų | 43.3 | 66% | 0.658 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 9.5 | 178.3 | 61.1 | -43.9 | 0 | 0 | 0 | 113.5 | K440 | K440-D442 WeakPolarHBondContact CE-OD1 3.26Å; K440-D442 WeakPolarHBondContact CE-OD2 3.39Å; K440-D442 WeakPolarHBondContact CG-OD1 3.49Å; K440-D442 PolarHBondContact O-N 3.46Å; K440-D442 VanDerWaalsContact O-N 3.16Å |
| 443 | A | 91.5 | Very high | 92.9 | Very high | 9 Ų | 9 | 48 Ų | 48 | 7% | 0.074 | 24% | 0.24 | C | C | . | . | trans | -67.4 | 134.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | K440 E447 I448 I494 | K440-A443 HydrophobicContact CB-CB 4.17Å; K440-A443 HydrophobicContact CD-CB 4.28Å; K440-A443 HydrophobicContact CG-CB 4.2Å; K440-A443 WeakPolarHBondContact O-CB 3.39Å; K440-A443 PolarHBondContact O-N 2.91Å; A443-E447 VanDerWaalsContact CA-OE2 3.29Å; A443-E447 WeakPolarHBondContact CA-OE2 3.27Å; A443-E447 HydrophobicContact CB-CB 4.27Å; A443-E447 WeakPolarHBondContact CB-OE2 3.3Å; A443-I448 HydrophobicContact CB-CG1 4.38Å; A443-I494 HydrophobicContact CB-CD1 3.5Å; A443-I494 VanDerWaalsContact CB-CD1 3.5Å; A443-I494 HydrophobicContact CB-CG1 4.13Å | ||
| 444 | T | 94.2 | Very high | 92.7 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 45% | 0.454 | 26% | 0.259 | S | S | . | . | trans | -74.1 | 163.1 | 171.6 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | D446 E447 I448 | T444-D446 PolarHBondContact O-N 2.81Å; T444-E447 PolarHBondContact O-N 3.12Å; T444-E447 WeakPolarHBondContact OG1-CG 3.29Å; T444-E447 PolarHBondContact OG1-N 2.63Å; T444-I448 WeakPolarHBondContact O-CG1 3.43Å; T444-I448 PolarHBondContact O-N 3.36Å; T444-I448 VanDerWaalsContact O-N 3.15Å | ||
| 445 | Q | 92.1 | Very high | 92.6 | Very high | 69 Ų | 69 | 48.9 Ų | 48.9 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.8 | -35.7 | 176 | -172.5 | 61.7 | 18.9 | 0 | 0 | 111.9 | E447 I448 E449 | Q445-E447 PolarHBondContact O-N 2.78Å; Q445-I448 WeakPolarHBondContact O-CB 3.47Å; Q445-I448 PolarHBondContact O-N 3.46Å; Q445-E449 PolarHBondContact O-N 2.84Å |
| 446 | D | 94.2 | Very high | 92.4 | Very high | 113 Ų | 113 | 51.3 Ų | 51.3 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 176.4 | -58.6 | -30.6 | 0 | 0 | 0 | 111.8 | T444 I448 E449 E450 | T444-D446 PolarHBondContact O-N 2.81Å; D446-I448 VanDerWaalsContact C-N 3.3Å; D446-I448 PolarHBondContact O-N 3.39Å; D446-E449 PolarHBondContact O-N 3.2Å; D446-E450 WeakPolarHBondContact O-CG 3.16Å; D446-E450 PolarHBondContact O-N 3.24Å |
| 447 | E | 94.2 | Very high | 92.2 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -36.1 | 175.7 | -72.2 | -176.1 | 167.2 | 0 | 0 | 112 | K440 A443 T444 Q445 A451 | K440-E447 IonicContact NZ-OE1 2.86Å; K440-E447 PolarHBondContact NZ-OE1 3.12Å; K440-E447 IonicContact NZ-OE2 3.83Å; K440-E447 PolarHBondContact NZ-OE2 2.84Å; A443-E447 VanDerWaalsContact CA-OE2 3.29Å; A443-E447 WeakPolarHBondContact CA-OE2 3.27Å; A443-E447 HydrophobicContact CB-CB 4.27Å; A443-E447 WeakPolarHBondContact CB-OE2 3.3Å; T444-E447 PolarHBondContact O-N 3.12Å; T444-E447 WeakPolarHBondContact OG1-CG 3.29Å; T444-E447 PolarHBondContact OG1-N 2.63Å; Q445-E447 PolarHBondContact O-N 2.78Å; E447-A451 WeakPolarHBondContact O-CB 3.4Å; E447-A451 PolarHBondContact O-N 3.34Å |
| 448 | I | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -44.1 | 175.7 | -68.2 | 169.3 | 0 | 0 | 0 | 110.4 | I436 R437 A443 T444 Q445 D446 A452 Y468 I494 | I436-I448 HydrophobicContact CB-CG2 4.03Å; I436-I448 HydrophobicContact CD1-CG2 3.98Å; I436-I448 HydrophobicContact CG2-CB 4.34Å; I436-I448 HydrophobicContact CG2-CG1 4.24Å; I436-I448 HydrophobicContact CG2-CG2 3.9Å; R437-I448 HydrophobicContact CB-CD1 4.09Å; A443-I448 HydrophobicContact CB-CG1 4.38Å; T444-I448 WeakPolarHBondContact O-CG1 3.43Å; T444-I448 PolarHBondContact O-N 3.36Å; T444-I448 VanDerWaalsContact O-N 3.15Å; Q445-I448 WeakPolarHBondContact O-CB 3.47Å; Q445-I448 PolarHBondContact O-N 3.46Å; D446-I448 VanDerWaalsContact C-N 3.3Å; D446-I448 PolarHBondContact O-N 3.39Å; I448-A452 VanDerWaalsContact O-CB 3.31Å; I448-A452 WeakPolarHBondContact O-CB 3.29Å; I448-A452 PolarHBondContact O-N 3.41Å; I448-Y468 HydrophobicContact CG2-CD1 4.12Å; I448-Y468 HydrophobicContact CG2-CE1 3.98Å; I448-I494 HydrophobicContact CG1-CD1 3.84Å |
| 449 | E | 94.5 | Very high | 91.8 | Very high | 55 Ų | 55 | 50.8 Ų | 50.8 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 177 | -71.6 | -166.8 | -170.1 | 0 | 0 | 112.6 | Q445 D446 A452 K453 H458 Y468 | Q445-E449 PolarHBondContact O-N 2.84Å; D446-E449 PolarHBondContact O-N 3.2Å; E449-A452 PolarHBondContact O-N 3.39Å; E449-K453 WeakPolarHBondContact O-CB 3.4Å; E449-K453 VanDerWaalsContact O-CG 3.29Å; E449-K453 WeakPolarHBondContact O-CG 3.22Å; E449-K453 PolarHBondContact O-N 3.26Å; E449-K453 IonicContact OE2-NZ 2.94Å; E449-H458 IonicContact OE2-CE1 3.85Å; E449-Y468 HydrophobicContact CG-CE2 3.93Å |
| 450 | E | 93.2 | Very high | 91.7 | Very high | 114 Ų | 114 | 51.9 Ų | 51.9 | 53% | 0.533 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 174.9 | -75.9 | -172.6 | 171.2 | 0 | 0 | 111.5 | D446 A452 K453 L454 | D446-E450 WeakPolarHBondContact O-CG 3.16Å; D446-E450 PolarHBondContact O-N 3.24Å; E450-A452 VanDerWaalsContact C-N 3.32Å; E450-A452 PolarHBondContact O-N 2.95Å; E450-K453 PolarHBondContact O-N 3.5Å; E450-L454 WeakPolarHBondContact O-CG 3.4Å; E450-L454 PolarHBondContact O-N 3.34Å |
| 451 | A | 93.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E447 L454 A455 I494 | E447-A451 WeakPolarHBondContact O-CB 3.4Å; E447-A451 PolarHBondContact O-N 3.34Å; A451-L454 PolarHBondContact O-N 3.46Å; A451-A455 WeakPolarHBondContact O-CB 3.37Å; A451-A455 PolarHBondContact O-N 3.21Å; A451-I494 HydrophobicContact CB-CB 4.02Å; A451-I494 HydrophobicContact CB-CG1 4.29Å |
| 452 | A | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.5 | -34 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | I436 I448 E449 E450 N456 A457 H458 I461 Y468 | I436-A452 HydrophobicContact CD1-CB 4.28Å; I448-A452 VanDerWaalsContact O-CB 3.31Å; I448-A452 WeakPolarHBondContact O-CB 3.29Å; I448-A452 PolarHBondContact O-N 3.41Å; E449-A452 PolarHBondContact O-N 3.39Å; E450-A452 VanDerWaalsContact C-N 3.32Å; E450-A452 PolarHBondContact O-N 2.95Å; A452-N456 PolarHBondContact O-N 3.01Å; A452-A457 HydrophobicContact CB-CB 4.39Å; A452-A457 PolarHBondContact O-N 3.22Å; A452-H458 HydrophobicContact CB-CB 4.43Å; A452-H458 PolarHBondContact O-N 3.11Å; A452-I461 HydrophobicContact CB-CD1 4.34Å; A452-Y468 HydrophobicContact CB-CE1 4.08Å; A452-Y468 VanDerWaalsContact CB-OH 3.23Å; A452-Y468 WeakPolarHBondContact CB-OH 3.36Å |
| 453 | K | 92.4 | Very high | 91.6 | Very high | 99 Ų | 99 | 52.9 Ų | 52.9 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 174.5 | -75.1 | 168.5 | -173.1 | 163.7 | 0 | 111.3 | E449 E450 A455 N456 H458 | E449-K453 WeakPolarHBondContact O-CB 3.4Å; E449-K453 VanDerWaalsContact O-CG 3.29Å; E449-K453 WeakPolarHBondContact O-CG 3.22Å; E449-K453 PolarHBondContact O-N 3.26Å; E449-K453 IonicContact OE2-NZ 2.94Å; E450-K453 PolarHBondContact O-N 3.5Å; K453-A455 VanDerWaalsContact C-N 3.3Å; K453-A455 PolarHBondContact O-N 3.48Å; K453-N456 PolarHBondContact O-N 3.39Å; K453-N456 VanDerWaalsContact O-N 3.14Å; K453-H458 WeakPolarHBondContact CE-NE2 3.22Å; K453-H458 HydrophobicContact CG-CB 3.73Å |
| 454 | L | 89.7 | Confident | 91.4 | Very high | 81 Ų | 81 | 54.6 Ų | 54.6 | 42% | 0.424 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 174.3 | -71.1 | 173.7 | 0 | 0 | 0 | 111.6 | E450 A451 N456 L493 | E450-L454 WeakPolarHBondContact O-CG 3.4Å; E450-L454 PolarHBondContact O-N 3.34Å; A451-L454 PolarHBondContact O-N 3.46Å; L454-N456 PolarHBondContact O-N 3.05Å; L454-L493 HydrophobicContact CB-CD1 3.89Å |
| 455 | A | 90.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 7.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A451 K453 A457 C486 I489 A490 A520 | A451-A455 WeakPolarHBondContact O-CB 3.37Å; A451-A455 PolarHBondContact O-N 3.21Å; K453-A455 VanDerWaalsContact C-N 3.3Å; K453-A455 PolarHBondContact O-N 3.48Å; A455-A457 PolarHBondContact O-N 3.16Å; A455-A457 VanDerWaalsContact O-N 3.08Å; A455-C486 WeakPolarHBondContact CB-O 3.48Å; A455-I489 HydrophobicContact CB-CB 4.01Å; A455-I489 HydrophobicContact CB-CG2 3.72Å; A455-A490 HydrophobicContact CB-CB 3.78Å; A455-A520 WeakPolarHBondContact O-CB 3.43Å |
| 456 | N | 89 | Confident | 90.6 | Very high | 53 Ų | 53 | 58.6 Ų | 58.6 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 24.7 | -176.5 | -156.3 | 23.7 | 0 | 0 | 0 | 114.7 | A452 K453 L454 A520 | A452-N456 PolarHBondContact O-N 3.01Å; K453-N456 PolarHBondContact O-N 3.39Å; K453-N456 VanDerWaalsContact O-N 3.14Å; L454-N456 PolarHBondContact O-N 3.05Å; N456-A520 HydrophobicContact CB-CB 3.97Å |
| 457 | A | 89.8 | Confident | 90.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -91.3 | -27.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | A452 A455 G459 F460 I461 C486 | A452-A457 HydrophobicContact CB-CB 4.39Å; A452-A457 PolarHBondContact O-N 3.22Å; A455-A457 PolarHBondContact O-N 3.16Å; A455-A457 VanDerWaalsContact O-N 3.08Å; A457-G459 VanDerWaalsContact C-N 3.28Å; A457-G459 PolarHBondContact O-N 2.67Å; A457-F460 VanDerWaalsContact CA-CE1 3.41Å; A457-F460 HydrophobicContact CB-CD1 4.4Å; A457-F460 HydrophobicContact CB-CE1 3.62Å; A457-F460 HydrophobicContact CB-CZ 4.08Å; A457-F460 VanDerWaalsContact O-CD1 3.23Å; A457-F460 WeakPolarHBondContact O-CD1 3.45Å; A457-F460 WeakPolarHBondContact O-CE1 3.39Å; A457-F460 PolarHBondContact O-N 3.36Å; A457-I461 HydrophobicContact CB-CD1 3.76Å; A457-I461 HydrophobicContact CB-CG1 4.49Å; A457-I461 WeakPolarHBondContact O-CD1 3.38Å; A457-I461 VanDerWaalsContact O-CG1 3.23Å; A457-I461 WeakPolarHBondContact O-CG1 3.34Å; A457-I461 PolarHBondContact O-N 3.34Å; A457-C486 HydrophobicContact CB-CB 4.02Å | ||
| 458 | H | 92.2 | Very high | 90.3 | Very high | 29 Ų | 29 | 52.5 Ų | 52.5 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -53.4 | -42.4 | -175.2 | -174.8 | 75.4 | 0 | 0 | 0 | 113.3 | E449 A452 K453 F460 I461 Q462 Y468 | E449-H458 IonicContact OE2-CE1 3.85Å; A452-H458 HydrophobicContact CB-CB 4.43Å; A452-H458 PolarHBondContact O-N 3.11Å; K453-H458 WeakPolarHBondContact CE-NE2 3.22Å; K453-H458 HydrophobicContact CG-CB 3.73Å; H458-F460 PolarHBondContact O-N 2.93Å; H458-I461 PolarHBondContact O-N 2.85Å; H458-Q462 PolarHBondContact CE1-NE2 3.15Å; H458-Q462 VanDerWaalsContact CE1-NE2 3.26Å; H458-Q462 PolarHBondContact NE2-NE2 2.98Å; H458-Q462 WeakPolarHBondContact O-CG 3.39Å; H458-Q462 PolarHBondContact O-N 2.8Å; H458-Y468 AromaticContact ND1-CE2 3.8Å; H458-Y468 AromaticContact ND1-CZ 3.74Å; H458-Y468 PolarHBondContact ND1-OH 2.72Å |
| 459 | G | 87.7 | Confident | 90.1 | Very high | 40 Ų | 40 | 57.8 Ų | 57.8 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A457 Q463 | A457-G459 VanDerWaalsContact C-N 3.28Å; A457-G459 PolarHBondContact O-N 2.67Å; G459-Q463 WeakPolarHBondContact O-CG 3.18Å |
| 460 | F | 87.8 | Confident | 89.9 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -83.7 | -31.2 | 176.5 | 81.9 | -103.2 | 0 | 0 | 0 | 111.9 | A457 H458 Q462 Q463 L464 M479 Q483 C486 I487 | A457-F460 VanDerWaalsContact CA-CE1 3.41Å; A457-F460 HydrophobicContact CB-CD1 4.4Å; A457-F460 HydrophobicContact CB-CE1 3.62Å; A457-F460 HydrophobicContact CB-CZ 4.08Å; A457-F460 VanDerWaalsContact O-CD1 3.23Å; A457-F460 WeakPolarHBondContact O-CD1 3.45Å; A457-F460 WeakPolarHBondContact O-CE1 3.39Å; A457-F460 PolarHBondContact O-N 3.36Å; H458-F460 PolarHBondContact O-N 2.93Å; F460-Q462 VanDerWaalsContact C-N 3.28Å; F460-Q462 PolarHBondContact O-N 3.01Å; F460-Q463 WeakPolarHBondContact O-CB 3.49Å; F460-Q463 PolarHBondContact O-N 2.94Å; F460-L464 PolarHBondContact O-N 2.65Å; F460-M479 HydrophobicContact CD2-CE 4.41Å; F460-M479 HydrophobicContact CE2-CE 3.49Å; F460-M479 VanDerWaalsContact CE2-CE 3.49Å; F460-M479 HydrophobicContact CZ-CE 4.18Å; F460-Q483 HydrophobicContact CD1-CG 4.2Å; F460-Q483 HydrophobicContact CD2-CB 4.44Å; F460-Q483 HydrophobicContact CD2-CG 3.92Å; F460-Q483 HydrophobicContact CE1-CB 4.2Å; F460-Q483 HydrophobicContact CE1-CG 4.11Å; F460-Q483 HydrophobicContact CE2-CB 3.9Å; F460-Q483 HydrophobicContact CE2-CG 3.89Å; F460-Q483 HydrophobicContact CG-CG 4.1Å; F460-Q483 HydrophobicContact CZ-CB 3.75Å; F460-Q483 HydrophobicContact CZ-CG 3.97Å; F460-C486 HydrophobicContact CE1-CB 4.06Å; F460-I487 HydrophobicContact CE2-CD1 4.39Å; F460-I487 HydrophobicContact CZ-CD1 4.09Å; F460-I487 HydrophobicContact CZ-CG1 3.99Å |
| 461 | I | 91 | Very high | 89.6 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 176.7 | -69.1 | 166.6 | 0 | 0 | 0 | 109.7 | I432 A452 A457 H458 Q463 L464 G467 Y468 | I432-I461 HydrophobicContact CD1-CG1 4.37Å; I432-I461 HydrophobicContact CD1-CG2 4.49Å; I432-I461 HydrophobicContact CG2-CD1 3.85Å; I432-I461 HydrophobicContact CG2-CG1 4.24Å; A452-I461 HydrophobicContact CB-CD1 4.34Å; A457-I461 HydrophobicContact CB-CD1 3.76Å; A457-I461 HydrophobicContact CB-CG1 4.49Å; A457-I461 WeakPolarHBondContact O-CD1 3.38Å; A457-I461 VanDerWaalsContact O-CG1 3.23Å; A457-I461 WeakPolarHBondContact O-CG1 3.34Å; A457-I461 PolarHBondContact O-N 3.34Å; H458-I461 PolarHBondContact O-N 2.85Å; I461-Q463 PolarHBondContact O-N 3.32Å; I461-L464 WeakPolarHBondContact O-CB 3.48Å; I461-L464 PolarHBondContact O-N 2.65Å; I461-L464 VanDerWaalsContact O-N 3.12Å; I461-G467 WeakPolarHBondContact O-CA 3.43Å; I461-Y468 HydrophobicContact CD1-CE1 4Å; I461-Y468 HydrophobicContact CG2-CD1 3.92Å; I461-Y468 HydrophobicContact CG2-CD2 3.91Å; I461-Y468 HydrophobicContact CG2-CE1 4.04Å; I461-Y468 HydrophobicContact CG2-CE2 4.02Å; I461-Y468 HydrophobicContact CG2-CG 3.85Å |
| 462 | Q | 90.1 | Very high | 89.1 | Confident | 124 Ų | 124 | 57 Ų | 57 | 58% | 0.579 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.2 | 175.8 | -74.3 | -174.2 | -27.3 | 0 | 0 | 114.7 | H458 F460 L464 | H458-Q462 PolarHBondContact CE1-NE2 3.15Å; H458-Q462 VanDerWaalsContact CE1-NE2 3.26Å; H458-Q462 PolarHBondContact NE2-NE2 2.98Å; H458-Q462 WeakPolarHBondContact O-CG 3.39Å; H458-Q462 PolarHBondContact O-N 2.8Å; F460-Q462 VanDerWaalsContact C-N 3.28Å; F460-Q462 PolarHBondContact O-N 3.01Å; Q462-L464 VanDerWaalsContact C-N 3.35Å |
| 463 | Q | 87.9 | Confident | 88.2 | Confident | 167 Ų | 167 | 58.3 Ų | 58.3 | 78% | 0.78 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -10.9 | 176 | -67 | 172.3 | 4.8 | 0 | 0 | 112.5 | G459 F460 I461 | G459-Q463 WeakPolarHBondContact O-CG 3.18Å; F460-Q463 WeakPolarHBondContact O-CB 3.49Å; F460-Q463 PolarHBondContact O-N 2.94Å; I461-Q463 PolarHBondContact O-N 3.32Å |
| 464 | L | 87.1 | Confident | 87 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -75.9 | 150.5 | 175.6 | -62.7 | 171.1 | 0 | 0 | 0 | 110.5 | I432 F460 I461 Q462 D466 G467 T470 M479 | I432-L464 HydrophobicContact CD1-CD1 3.36Å; F460-L464 PolarHBondContact O-N 2.65Å; I461-L464 WeakPolarHBondContact O-CB 3.48Å; I461-L464 PolarHBondContact O-N 2.65Å; I461-L464 VanDerWaalsContact O-N 3.12Å; Q462-L464 VanDerWaalsContact C-N 3.35Å; L464-D466 VanDerWaalsContact C-N 3.27Å; L464-D466 PolarHBondContact O-N 3.03Å; L464-D466 VanDerWaalsContact O-N 3.17Å; L464-G467 PolarHBondContact O-N 2.98Å; L464-G467 VanDerWaalsContact O-N 3.13Å; L464-T470 HydrophobicContact CB-CG2 4.44Å; L464-T470 WeakPolarHBondContact CB-OG1 3.13Å; L464-T470 HydrophobicContact CD1-CG2 4.23Å; L464-M479 HydrophobicContact CD1-CE 4.41Å |
| 465 | P | 82.3 | Confident | 85.6 | Confident | 121 Ų | 121 | 60.6 Ų | 60.6 | 79% | 0.786 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -40.5 | -174.6 | -26.8 | 34.2 | 0 | 0 | 0 | 114.4 | ||
| 466 | D | 87.3 | Confident | 84.2 | Confident | 107 Ų | 107 | 60.6 Ų | 60.6 | 57% | 0.572 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 14.8 | -176.7 | -57.7 | -44.5 | 0 | 0 | 0 | 112.5 | L464 Y468 D469 | L464-D466 VanDerWaalsContact C-N 3.27Å; L464-D466 PolarHBondContact O-N 3.03Å; L464-D466 VanDerWaalsContact O-N 3.17Å; D466-Y468 PolarHBondContact O-N 3.41Å; D466-D469 HydrophobicContact CB-CB 4.42Å; D466-D469 PolarHBondContact O-N 3.18Å |
| 467 | G | 90.3 | Very high | 82.9 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 17% | 0.165 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | 55.4 | -125.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I461 L464 D469 T470 | I461-G467 WeakPolarHBondContact O-CA 3.43Å; L464-G467 PolarHBondContact O-N 2.98Å; L464-G467 VanDerWaalsContact O-N 3.13Å; G467-D469 VanDerWaalsContact C-N 3.29Å; G467-D469 PolarHBondContact O-N 3.39Å; G467-T470 PolarHBondContact N-OG1 3.11Å; G467-T470 WeakPolarHBondContact O-CB 3.34Å; G467-T470 PolarHBondContact O-N 2.99Å; G467-T470 PolarHBondContact O-OG1 2.82Å |
| 468 | Y | 92.3 | Very high | 81.9 | Confident | 19 Ų | 19 | 64.4 Ų | 64.4 | 8% | 0.075 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -70 | -21.5 | 177.3 | -78.6 | -84.9 | 0 | 0 | 0 | 114.4 | I432 S433 I436 I448 E449 A452 H458 I461 D466 T470 | I432-Y468 HydrophobicContact CG2-CD1 4.47Å; I432-Y468 PolarHBondContact N-O 3.02Å; S433-Y468 PolarHBondContact N-O 3.35Å; I436-Y468 HydrophobicContact CD1-CE1 4.3Å; I448-Y468 HydrophobicContact CG2-CD1 4.12Å; I448-Y468 HydrophobicContact CG2-CE1 3.98Å; E449-Y468 HydrophobicContact CG-CE2 3.93Å; A452-Y468 HydrophobicContact CB-CE1 4.08Å; A452-Y468 VanDerWaalsContact CB-OH 3.23Å; A452-Y468 WeakPolarHBondContact CB-OH 3.36Å; H458-Y468 AromaticContact ND1-CE2 3.8Å; H458-Y468 AromaticContact ND1-CZ 3.74Å; H458-Y468 PolarHBondContact ND1-OH 2.72Å; I461-Y468 HydrophobicContact CD1-CE1 4Å; I461-Y468 HydrophobicContact CG2-CD1 3.92Å; I461-Y468 HydrophobicContact CG2-CD2 3.91Å; I461-Y468 HydrophobicContact CG2-CE1 4.04Å; I461-Y468 HydrophobicContact CG2-CE2 4.02Å; I461-Y468 HydrophobicContact CG2-CG 3.85Å; D466-Y468 PolarHBondContact O-N 3.41Å; Y468-T470 VanDerWaalsContact C-N 3.26Å |
| 469 | D | 92.1 | Very high | 81.2 | Confident | 112 Ų | 112 | 64.4 Ų | 64.4 | 60% | 0.599 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -85.5 | -1.8 | 179.5 | -65.5 | -38.4 | 0 | 0 | 0 | 112.3 | T431 D466 G467 F471 | T431-D469 WeakPolarHBondContact CG2-O 3.46Å; D466-D469 HydrophobicContact CB-CB 4.42Å; D466-D469 PolarHBondContact O-N 3.18Å; G467-D469 VanDerWaalsContact C-N 3.29Å; G467-D469 PolarHBondContact O-N 3.39Å; D469-F471 PolarHBondContact O-N 2.93Å; D469-F471 VanDerWaalsContact O-N 3.15Å |
| 470 | T | 89.4 | Confident | 80.9 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 14% | 0.141 | 37% | 0.368 | C | S | . | . | trans | -53.1 | 122.2 | 174.7 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | T431 I432 L464 G467 Y468 | T431-T470 WeakPolarHBondContact CA-O 3.37Å; I432-T470 PolarHBondContact N-O 3.36Å; I432-T470 VanDerWaalsContact N-O 3.13Å; L464-T470 HydrophobicContact CB-CG2 4.44Å; L464-T470 WeakPolarHBondContact CB-OG1 3.13Å; L464-T470 HydrophobicContact CD1-CG2 4.23Å; G467-T470 PolarHBondContact N-OG1 3.11Å; G467-T470 WeakPolarHBondContact O-CB 3.34Å; G467-T470 PolarHBondContact O-N 2.99Å; G467-T470 PolarHBondContact O-OG1 2.82Å; Y468-T470 VanDerWaalsContact C-N 3.26Å | ||
| 471 | F | 86.4 | Confident | 80.5 | Confident | 127 Ų | 127 | 65.1 Ų | 65.1 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 126.2 | -179.1 | -168.1 | -91 | 0 | 0 | 0 | 110.9 | E429 D469 | E429-F471 HydrophobicContact CG-CE1 3.92Å; E429-F471 HydrophobicContact CG-CE2 4.5Å; E429-F471 HydrophobicContact CG-CZ 3.51Å; D469-F471 PolarHBondContact O-N 2.93Å; D469-F471 VanDerWaalsContact O-N 3.15Å |
| 472 | V | 83.9 | Confident | 80.1 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 118.4 | -179.8 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | L427 E429 G430 I432 M479 | L427-V472 HydrophobicContact CB-CG1 4.02Å; L427-V472 HydrophobicContact CD1-CG1 3.88Å; E429-V472 WeakPolarHBondContact CA-O 3.22Å; G430-V472 PolarHBondContact N-O 2.87Å; G430-V472 PolarHBondContact O-N 3.31Å; I432-V472 HydrophobicContact CD1-CG2 4.43Å; I432-V472 HydrophobicContact CG1-CG2 3.59Å; V472-M479 HydrophobicContact CG2-SD 4.27Å |
| 473 | G | 73.5 | Confident | 79.9 | Confident | 29 Ų | 29 | 62.1 Ų | 62.1 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | trans | -71.8 | -177.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R475 G476 | G473-R475 PolarHBondContact O-N 3.4Å; G473-G476 WeakPolarHBondContact O-CA 3.43Å; G473-G476 PolarHBondContact O-N 3.11Å | ||
| 474 | E | 66.5 | Low | 80 | Confident | 85 Ų | 85 | 56.1 Ų | 56.1 | 40% | 0.397 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -51.8 | 124.7 | 177.7 | -166.3 | 178 | 176.9 | 0 | 0 | 110.6 | G476 | E474-G476 PolarHBondContact O-N 3.35Å; E474-G476 VanDerWaalsContact O-N 3.08Å |
| 475 | R | 61.9 | Low | 80 | Confident | 142 Ų | 142 | 54 Ų | 54 | 54% | 0.536 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | 59.7 | 12.4 | -175.4 | -56.1 | 178.2 | 178 | -161 | -6.1 | 115.5 | L427 G473 K484 | L427-R475 PolarHBondContact O-N 3.12Å; G473-R475 PolarHBondContact O-N 3.4Å; R475-K484 PolarHBondContact O-NZ 3.15Å |
| 476 | G | 59.3 | Low | 80.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | 65.2 | 46.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116 | G473 E474 G478 M479 K484 | G473-G476 WeakPolarHBondContact O-CA 3.43Å; G473-G476 PolarHBondContact O-N 3.11Å; E474-G476 PolarHBondContact O-N 3.35Å; E474-G476 VanDerWaalsContact O-N 3.08Å; G476-G478 PolarHBondContact O-N 3.43Å; G476-M479 PolarHBondContact O-N 3.5Å; G476-K484 WeakPolarHBondContact O-CE 2.97Å; G476-K484 PolarHBondContact O-NZ 2.61Å |
| 477 | G | 61.7 | Low | 80.5 | Confident | 60 Ų | 60 | 43.4 Ų | 43.4 | 62% | 0.619 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 130.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 478 | G | 69.5 | Low | 80.6 | Confident | 73 Ų | 73 | 42.8 Ų | 42.8 | 75% | 0.753 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.6 | -17.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G476 | G476-G478 PolarHBondContact O-N 3.43Š|
| 479 | M | 76.9 | Confident | 80.5 | Confident | 29 Ų | 29 | 42 Ų | 42 | 14% | 0.143 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -99 | 149.9 | 179.2 | -57.5 | -167.9 | 79.7 | 0 | 0 | 112.9 | L427 I432 F460 L464 V472 G476 Q483 K484 I487 | L427-M479 HydrophobicContact CD1-SD 4.23Å; I432-M479 HydrophobicContact CD1-CE 4.42Å; F460-M479 HydrophobicContact CD2-CE 4.41Å; F460-M479 HydrophobicContact CE2-CE 3.49Å; F460-M479 VanDerWaalsContact CE2-CE 3.49Å; F460-M479 HydrophobicContact CZ-CE 4.18Å; L464-M479 HydrophobicContact CD1-CE 4.41Å; V472-M479 HydrophobicContact CG2-SD 4.27Å; G476-M479 PolarHBondContact O-N 3.5Å; M479-Q483 HydrophobicContact CB-CB 4.48Å; M479-Q483 HydrophobicContact CE-CB 3.93Å; M479-K484 HydrophobicContact CB-CG 3.95Å; M479-K484 VanDerWaalsContact O-CE 3.31Å; M479-K484 WeakPolarHBondContact O-CE 3.43Å; M479-I487 HydrophobicContact CE-CD1 3.59Å; M479-I487 HydrophobicContact SD-CD1 3.9Å |
| 480 | S | 81.2 | Confident | 80.6 | Confident | 47 Ų | 47 | 36.7 Ų | 36.7 | 33% | 0.329 | 23% | 0.226 | S | C | . | . | trans | -69.7 | 154.3 | 174.6 | 85.2 | 0 | 0 | 0 | 0 | 111.7 | G482 Q483 K484 | S480-G482 PolarHBondContact O-N 2.76Å; S480-Q483 PolarHBondContact O-N 3.43Å; S480-Q483 VanDerWaalsContact O-N 3.16Å; S480-Q483 VanDerWaalsContact OG-CG 3.31Å; S480-Q483 WeakPolarHBondContact OG-CG 3.16Å; S480-Q483 PolarHBondContact OG-N 2.85Å; S480-K484 WeakPolarHBondContact O-CG 3.34Å; S480-K484 PolarHBondContact O-N 2.99Å | ||
| 481 | G | 80.5 | Confident | 80.8 | Confident | 36 Ų | 36 | 35.9 Ų | 35.9 | 37% | 0.371 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -53.3 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K484 Q485 L509 | G481-K484 PolarHBondContact O-N 3.25Å; G481-Q485 WeakPolarHBondContact O-CG 3.32Å; G481-Q485 PolarHBondContact O-N 3.31Å; G481-L509 VanDerWaalsContact C-CD2 3.48Å |
| 482 | G | 81.8 | Confident | 81.1 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S480 K484 Q485 C486 | S480-G482 PolarHBondContact O-N 2.76Å; G482-K484 PolarHBondContact O-N 3.45Å; G482-Q485 PolarHBondContact O-N 2.97Å; G482-C486 PolarHBondContact O-N 3.14Å; G482-C486 PolarHBondContact O-SG 3.49Å |
| 483 | Q | 87 | Confident | 81.5 | Confident | 58 Ų | 58 | 29.9 Ų | 29.9 | 27% | 0.271 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 177.4 | -72.9 | 169.9 | -20.2 | 0 | 0 | 111.4 | F460 M479 S480 Q485 C486 I487 | F460-Q483 HydrophobicContact CD1-CG 4.2Å; F460-Q483 HydrophobicContact CD2-CB 4.44Å; F460-Q483 HydrophobicContact CD2-CG 3.92Å; F460-Q483 HydrophobicContact CE1-CB 4.2Å; F460-Q483 HydrophobicContact CE1-CG 4.11Å; F460-Q483 HydrophobicContact CE2-CB 3.9Å; F460-Q483 HydrophobicContact CE2-CG 3.89Å; F460-Q483 HydrophobicContact CG-CG 4.1Å; F460-Q483 HydrophobicContact CZ-CB 3.75Å; F460-Q483 HydrophobicContact CZ-CG 3.97Å; M479-Q483 HydrophobicContact CB-CB 4.48Å; M479-Q483 HydrophobicContact CE-CB 3.93Å; S480-Q483 PolarHBondContact O-N 3.43Å; S480-Q483 VanDerWaalsContact O-N 3.16Å; S480-Q483 VanDerWaalsContact OG-CG 3.31Å; S480-Q483 WeakPolarHBondContact OG-CG 3.16Å; S480-Q483 PolarHBondContact OG-N 2.85Å; Q483-Q485 VanDerWaalsContact C-N 3.31Å; Q483-Q485 PolarHBondContact O-N 3.08Å; Q483-C486 PolarHBondContact O-N 3.46Å; Q483-I487 WeakPolarHBondContact O-CG1 3.37Å; Q483-I487 PolarHBondContact O-N 2.88Å; Q483-I487 VanDerWaalsContact O-N 3.08Å |
| 484 | K | 88.6 | Confident | 82.4 | Confident | 40 Ų | 40 | 29 Ų | 29 | 17% | 0.174 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 177.2 | -65.3 | -179 | -173 | -169.4 | 0 | 111.7 | P425 L427 R475 G476 M479 S480 G481 G482 I487 A488 | P425-K484 HydrophobicContact CB-CB 4.03Å; P425-K484 HydrophobicContact CG-CB 3.46Å; P425-K484 VanDerWaalsContact CG-CB 3.46Å; L427-K484 HydrophobicContact CD1-CB 4.32Å; L427-K484 HydrophobicContact CD1-CG 3.98Å; R475-K484 PolarHBondContact O-NZ 3.15Å; G476-K484 WeakPolarHBondContact O-CE 2.97Å; G476-K484 PolarHBondContact O-NZ 2.61Å; M479-K484 HydrophobicContact CB-CG 3.95Å; M479-K484 VanDerWaalsContact O-CE 3.31Å; M479-K484 WeakPolarHBondContact O-CE 3.43Å; S480-K484 WeakPolarHBondContact O-CG 3.34Å; S480-K484 PolarHBondContact O-N 2.99Å; G481-K484 PolarHBondContact O-N 3.25Å; G482-K484 PolarHBondContact O-N 3.45Å; K484-I487 PolarHBondContact O-N 3.26Å; K484-A488 PolarHBondContact O-N 2.94Å |
| 485 | Q | 87.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.7 | -39.5 | 177.3 | -73.3 | -173.6 | -13 | 0 | 0 | 112.8 | P425 G481 G482 Q483 I487 A488 I489 A505 L509 F517 | P425-Q485 HydrophobicContact CB-CG 4.14Å; P425-Q485 HydrophobicContact CG-CG 3.64Å; G481-Q485 WeakPolarHBondContact O-CG 3.32Å; G481-Q485 PolarHBondContact O-N 3.31Å; G482-Q485 PolarHBondContact O-N 2.97Å; Q483-Q485 VanDerWaalsContact C-N 3.31Å; Q483-Q485 PolarHBondContact O-N 3.08Å; Q485-I487 VanDerWaalsContact C-N 3.3Å; Q485-I487 PolarHBondContact O-N 3.23Å; Q485-A488 CarbonylContact O-C 3.09Å; Q485-A488 WeakPolarHBondContact O-CB 3.5Å; Q485-A488 PolarHBondContact O-N 3.48Å; Q485-A488 VanDerWaalsContact O-N 3.11Å; Q485-I489 WeakPolarHBondContact O-CG1 3.4Å; Q485-I489 PolarHBondContact O-N 3.07Å; Q485-A505 PolarHBondContact NE2-O 3.14Å; Q485-A505 PolarHBondContact OE1-O 3.01Å; Q485-L509 HydrophobicContact CG-CD2 4.47Å; Q485-L509 VanDerWaalsContact OE1-CD2 3.27Å; Q485-F517 HydrophobicContact CB-CD2 3.97Å; Q485-F517 HydrophobicContact CB-CE2 4.01Å |
| 486 | C | 89.3 | Confident | 84.8 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 174.3 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | A455 A457 F460 G482 Q483 I489 A490 | A455-C486 WeakPolarHBondContact CB-O 3.48Å; A457-C486 HydrophobicContact CB-CB 4.02Å; F460-C486 HydrophobicContact CE1-CB 4.06Å; G482-C486 PolarHBondContact O-N 3.14Å; G482-C486 PolarHBondContact O-SG 3.49Å; Q483-C486 PolarHBondContact O-N 3.46Å; C486-I489 PolarHBondContact O-N 3.44Å; C486-A490 PolarHBondContact O-N 3.43Å |
| 487 | I | 91.5 | Very high | 86.3 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | 173.2 | -65.4 | 168.9 | 0 | 0 | 0 | 111 | L427 I432 N435 I436 F460 M479 Q483 K484 Q485 I489 A490 R491 | L427-I487 HydrophobicContact CD1-CD1 4.27Å; L427-I487 HydrophobicContact CD2-CB 4.19Å; L427-I487 HydrophobicContact CD2-CG2 3.61Å; I432-I487 HydrophobicContact CD1-CD1 4.44Å; I432-I487 HydrophobicContact CG1-CD1 4.42Å; I432-I487 HydrophobicContact CG2-CD1 4.14Å; I432-I487 HydrophobicContact CG2-CG1 4.45Å; N435-I487 HydrophobicContact CB-CG2 4.43Å; I436-I487 HydrophobicContact CG1-CG2 4.13Å; F460-I487 HydrophobicContact CE2-CD1 4.39Å; F460-I487 HydrophobicContact CZ-CD1 4.09Å; F460-I487 HydrophobicContact CZ-CG1 3.99Å; M479-I487 HydrophobicContact CE-CD1 3.59Å; M479-I487 HydrophobicContact SD-CD1 3.9Å; Q483-I487 WeakPolarHBondContact O-CG1 3.37Å; Q483-I487 PolarHBondContact O-N 2.88Å; Q483-I487 VanDerWaalsContact O-N 3.08Å; K484-I487 PolarHBondContact O-N 3.26Å; Q485-I487 VanDerWaalsContact C-N 3.3Å; Q485-I487 PolarHBondContact O-N 3.23Å; I487-I489 VanDerWaalsContact C-N 3.34Å; I487-I489 PolarHBondContact O-N 3.33Å; I487-A490 WeakPolarHBondContact O-CB 3.24Å; I487-A490 PolarHBondContact O-N 3.19Å; I487-R491 PolarHBondContact O-N 3.26Å |
| 488 | A | 90.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -37.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P425 K484 Q485 R491 A492 | P425-A488 HydrophobicContact CB-CB 3.88Å; K484-A488 PolarHBondContact O-N 2.94Å; Q485-A488 CarbonylContact O-C 3.09Å; Q485-A488 WeakPolarHBondContact O-CB 3.5Å; Q485-A488 PolarHBondContact O-N 3.48Å; Q485-A488 VanDerWaalsContact O-N 3.11Å; A488-R491 PolarHBondContact O-N 2.92Å; A488-A492 PolarHBondContact O-N 3.14Å |
| 489 | I | 91.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 171.2 | -68.3 | 165.2 | 0 | 0 | 0 | 110.1 | V421 A455 Q485 C486 I487 R491 A492 L493 F517 A520 A524 | V421-I489 HydrophobicContact CG1-CG1 4.41Å; V421-I489 HydrophobicContact CG2-CG1 4.02Å; A455-I489 HydrophobicContact CB-CB 4.01Å; A455-I489 HydrophobicContact CB-CG2 3.72Å; Q485-I489 WeakPolarHBondContact O-CG1 3.4Å; Q485-I489 PolarHBondContact O-N 3.07Å; C486-I489 PolarHBondContact O-N 3.44Å; I487-I489 VanDerWaalsContact C-N 3.34Å; I487-I489 PolarHBondContact O-N 3.33Å; I489-R491 VanDerWaalsContact C-N 3.26Å; I489-R491 PolarHBondContact O-N 3.35Å; I489-A492 WeakPolarHBondContact O-CA 3.37Å; I489-A492 WeakPolarHBondContact O-CB 3.47Å; I489-A492 PolarHBondContact O-N 3.45Å; I489-L493 HydrophobicContact CG2-CD1 3.62Å; I489-L493 HydrophobicContact CG2-CG 3.92Å; I489-L493 WeakPolarHBondContact O-CB 3.27Å; I489-L493 WeakPolarHBondContact O-CG 3.42Å; I489-L493 PolarHBondContact O-N 3.35Å; I489-F517 HydrophobicContact CD1-CD2 3.59Å; I489-F517 HydrophobicContact CD1-CE2 3.19Å; I489-F517 HydrophobicContact CD1-CZ 3.9Å; I489-F517 HydrophobicContact CG1-CE2 4.04Å; I489-A520 HydrophobicContact CD1-CB 4.28Å; I489-A524 HydrophobicContact CG2-CB 4.39Å |
| 490 | A | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.7 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I436 A455 C486 I487 A492 L493 I494 | I436-A490 HydrophobicContact CD1-CB 4.11Å; I436-A490 HydrophobicContact CG1-CB 4.12Å; I436-A490 HydrophobicContact CG2-CB 4.34Å; A455-A490 HydrophobicContact CB-CB 3.78Å; C486-A490 PolarHBondContact O-N 3.43Å; I487-A490 WeakPolarHBondContact O-CB 3.24Å; I487-A490 PolarHBondContact O-N 3.19Å; A490-A492 VanDerWaalsContact C-N 3.32Å; A490-A492 PolarHBondContact O-N 2.75Å; A490-L493 PolarHBondContact O-N 3.24Å; A490-I494 PolarHBondContact O-N 2.97Å |
| 491 | R | 93.4 | Very high | 90.1 | Very high | 6 Ų | 6 | 21.6 Ų | 21.6 | 2% | 0.023 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.5 | -34.4 | 174.3 | -175.4 | 175.7 | 62.6 | -156.6 | -2.9 | 113.1 | V426 N435 G439 I487 A488 I489 I494 F867 | V426-R491 VanDerWaalsContact O-CZ 3.26Å; V426-R491 PolarHBondContact O-NH1 3.35Å; V426-R491 PolarHBondContact O-NH2 3.11Å; N435-R491 VanDerWaalsContact O-CD 3.22Å; N435-R491 WeakPolarHBondContact O-CD 3.46Å; G439-R491 WeakPolarHBondContact CA-O 3.39Å; I487-R491 PolarHBondContact O-N 3.26Å; A488-R491 PolarHBondContact O-N 2.92Å; I489-R491 VanDerWaalsContact C-N 3.26Å; I489-R491 PolarHBondContact O-N 3.35Å; R491-I494 WeakPolarHBondContact O-CG2 3.4Å; R491-F867 HydrophobicContact CG-CD1 4.36Å; R491-F867 HydrophobicContact CG-CE1 3.87Å; R491-F867 HydrophobicContact CG-CZ 4.02Å |
| 492 | A | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -74.6 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V421 A488 I489 A490 P497 L500 F867 | V421-A492 HydrophobicContact CG2-CB 4.14Å; A488-A492 PolarHBondContact O-N 3.14Å; I489-A492 WeakPolarHBondContact O-CA 3.37Å; I489-A492 WeakPolarHBondContact O-CB 3.47Å; I489-A492 PolarHBondContact O-N 3.45Å; A490-A492 VanDerWaalsContact C-N 3.32Å; A490-A492 PolarHBondContact O-N 2.75Å; A492-P497 WeakPolarHBondContact O-CD 3.31Å; A492-L500 HydrophobicContact CB-CD1 4.46Å; A492-F867 HydrophobicContact CB-CZ 4.47Å |
| 493 | L | 92.4 | Very high | 91.1 | Very high | 7 Ų | 7 | 20.6 Ų | 20.6 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -74.8 | -28.4 | -175 | -72.1 | -178.6 | 0 | 0 | 0 | 114.1 | L454 I489 A490 R495 K496 A524 | L454-L493 HydrophobicContact CB-CD1 3.89Å; I489-L493 HydrophobicContact CG2-CD1 3.62Å; I489-L493 HydrophobicContact CG2-CG 3.92Å; I489-L493 WeakPolarHBondContact O-CB 3.27Å; I489-L493 WeakPolarHBondContact O-CG 3.42Å; I489-L493 PolarHBondContact O-N 3.35Å; A490-L493 PolarHBondContact O-N 3.24Å; L493-R495 PolarHBondContact O-N 3.5Å; L493-R495 VanDerWaalsContact O-N 3.09Å; L493-K496 WeakPolarHBondContact O-CA 3.26Å; L493-K496 PolarHBondContact O-N 2.93Å; L493-A524 HydrophobicContact CD1-CB 4.02Å; L493-A524 HydrophobicContact CD2-CB 4Å; L493-A524 HydrophobicContact CG-CB 4.45Å |
| 494 | I | 93.2 | Very high | 91 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 6% | 0.056 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.5 | 179.9 | -159.7 | 165.5 | 0 | 0 | 0 | 113 | I436 K440 A443 I448 A451 A490 R491 K496 | I436-I494 HydrophobicContact CG2-CD1 3.8Å; K440-I494 HydrophobicContact CB-CG1 4.19Å; K440-I494 HydrophobicContact CB-CG2 3.99Å; A443-I494 HydrophobicContact CB-CD1 3.5Å; A443-I494 VanDerWaalsContact CB-CD1 3.5Å; A443-I494 HydrophobicContact CB-CG1 4.13Å; I448-I494 HydrophobicContact CG1-CD1 3.84Å; A451-I494 HydrophobicContact CB-CB 4.02Å; A451-I494 HydrophobicContact CB-CG1 4.29Å; A490-I494 PolarHBondContact O-N 2.97Å; R491-I494 WeakPolarHBondContact O-CG2 3.4Å; I494-K496 VanDerWaalsContact C-N 3.27Å; I494-K496 PolarHBondContact O-N 3.23Å |
| 495 | R | 88.7 | Confident | 90.4 | Very high | 39 Ų | 39 | 17.7 Ų | 17.7 | 15% | 0.147 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -14.4 | 173.3 | -68.6 | -175 | 171.7 | -153.3 | -16 | 114.3 | R415 G439 L493 F867 | R415-R495 PolarHBondContact O-NH1 2.97Å; G439-R495 VanDerWaalsContact O-CG 3.22Å; G439-R495 WeakPolarHBondContact O-CG 3.44Å; G439-R495 PolarHBondContact O-NE 3.31Å; G439-R495 PolarHBondContact O-NH2 3.03Å; G439-R495 VanDerWaalsContact O-NH2 3.11Å; L493-R495 PolarHBondContact O-N 3.5Å; L493-R495 VanDerWaalsContact O-N 3.09Å; R495-F867 VanDerWaalsContact NH2-C 3.26Å; R495-F867 PolarHBondContact NH2-O 3.38Å |
| 496 | K | 89.8 | Confident | 89.9 | Confident | 149 Ų | 149 | 18 Ų | 18 | 65% | 0.648 | 8% | 0.082 | S | C | * | . | trans | 50.3 | 58 | -166.8 | -59.4 | -179.4 | 179.4 | 178.8 | 0 | 111.4 | L493 I494 | L493-K496 WeakPolarHBondContact O-CA 3.26Å; L493-K496 PolarHBondContact O-N 2.93Å; I494-K496 VanDerWaalsContact C-N 3.27Å; I494-K496 PolarHBondContact O-N 3.23Å | ||
| 497 | P | 91.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.019 | 9% | 0.094 | C | C | . | . | trans | -67.7 | 146 | -173.9 | 30.9 | -36.5 | 0 | 0 | 0 | 111.5 | Q417 A492 L500 R528 | Q417-P497 WeakPolarHBondContact O-CA 3.14Å; A492-P497 WeakPolarHBondContact O-CD 3.31Å; P497-L500 HydrophobicContact CG-CD1 4.38Å; P497-R528 WeakPolarHBondContact O-CD 3.13Å; P497-R528 WeakPolarHBondContact O-CG 3.38Å; P497-R528 PolarHBondContact O-NE 3.01Å | ||
| 498 | K | 90.8 | Very high | 88 | Confident | 86 Ų | 86 | 23 Ų | 23 | 37% | 0.374 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -89 | -27.2 | 173.1 | -66.3 | -174.5 | 175 | 174.8 | 0 | 112.3 | F336 Q417 T529 | F336-K498 HydrophobicContact CD1-CB 3.75Å; F336-K498 HydrophobicContact CD1-CD 4Å; F336-K498 HydrophobicContact CD1-CG 4.41Å; F336-K498 HydrophobicContact CE1-CB 3.82Å; F336-K498 WeakPolarHBondContact O-CD 3.41Å; F336-K498 VanDerWaalsContact O-CE 3.32Å; F336-K498 WeakPolarHBondContact O-CE 3.23Å; F336-K498 PolarHBondContact O-NZ 2.93Å; Q417-K498 PolarHBondContact O-N 3.24Å; K498-T529 PolarHBondContact O-N 3.37Å |
| 499 | L | 92.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 117.5 | 172.3 | 179.8 | 62 | 0 | 0 | 0 | 109.2 | F336 V340 Q417 I418 G419 L501 T529 V531 | F336-L499 HydrophobicContact CE1-CB 3.96Å; F336-L499 HydrophobicContact CZ-CB 3.98Å; F336-L499 HydrophobicContact CZ-CD2 4.39Å; V340-L499 HydrophobicContact CG2-CD2 4.43Å; Q417-L499 PolarHBondContact O-N 3.32Å; I418-L499 WeakPolarHBondContact CA-O 3.4Å; I418-L499 HydrophobicContact CG1-CD2 4.36Å; G419-L499 PolarHBondContact N-O 2.94Å; L499-L501 HydrophobicContact CD1-CD2 4.06Å; L499-L501 HydrophobicContact CD2-CD2 4.14Å; L499-L501 HydrophobicContact CG-CD2 3.86Å; L499-L501 HydrophobicContact CG-CG 4.41Å; L499-T529 CarbonylContact C-O 3.59Å; L499-T529 WeakPolarHBondContact CA-O 3.43Å; L499-T529 HydrophobicContact CD1-CG2 3.86Å; L499-V531 HydrophobicContact CD1-CG2 4.21Å |
| 500 | L | 93 | Very high | 86.2 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.6 | 177.2 | -174.1 | 66.1 | 0 | 0 | 0 | 109.9 | G419 A492 P497 L502 A524 T529 V530 V531 | G419-L500 CarbonylContact O-C 3.55Å; G419-L500 WeakPolarHBondContact O-CA 3.42Å; A492-L500 HydrophobicContact CB-CD1 4.46Å; P497-L500 HydrophobicContact CG-CD1 4.38Å; L500-L502 HydrophobicContact CD2-CD1 4.28Å; L500-L502 HydrophobicContact CD2-CD2 4.33Å; L500-L502 HydrophobicContact CD2-CG 4.45Å; L500-L502 HydrophobicContact CG-CD1 4.5Å; L500-L502 HydrophobicContact CG-CD2 4.17Å; L500-L502 HydrophobicContact CG-CG 4.21Å; L500-A524 HydrophobicContact CD2-CB 4.17Å; L500-T529 PolarHBondContact N-O 3.03Å; L500-V530 HydrophobicContact CB-CG1 4.43Å; L500-V530 HydrophobicContact CB-CG2 4.21Å; L500-V530 WeakPolarHBondContact O-CA 3.48Å; L500-V531 PolarHBondContact O-N 3.26Å |
| 501 | L | 93.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.8 | -179.5 | -52.8 | -179.4 | 0 | 0 | 0 | 109.4 | I385 L388 Q389 I418 G419 C420 V421 L499 V531 | I385-L501 HydrophobicContact CG2-CB 4.35Å; I385-L501 HydrophobicContact CG2-CD1 4.35Å; L388-L501 HydrophobicContact CB-CD1 4Å; L388-L501 HydrophobicContact CB-CD2 4.33Å; L388-L501 HydrophobicContact CD1-CD2 3.59Å; Q389-L501 HydrophobicContact CG-CD1 3.56Å; I418-L501 HydrophobicContact CG2-CD1 3.59Å; I418-L501 HydrophobicContact CG2-CG 3.82Å; G419-L501 PolarHBondContact O-N 3.38Å; C420-L501 WeakPolarHBondContact CA-O 3.23Å; V421-L501 PolarHBondContact N-O 3.24Å; L499-L501 HydrophobicContact CD1-CD2 4.06Å; L499-L501 HydrophobicContact CD2-CD2 4.14Å; L499-L501 HydrophobicContact CG-CD2 3.86Å; L499-L501 HydrophobicContact CG-CG 4.41Å; L501-V531 HydrophobicContact CD2-CB 3.87Å; L501-V531 HydrophobicContact CD2-CG2 4.12Å |
| 502 | L | 91.1 | Very high | 84.1 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 103.5 | -175.8 | -59.9 | 167.1 | 0 | 0 | 0 | 108.1 | V421 L500 L521 V530 V531 V532 V533 | V421-L502 HydrophobicContact CB-CD2 3.78Å; V421-L502 HydrophobicContact CG2-CD2 3.7Å; L500-L502 HydrophobicContact CD2-CD1 4.28Å; L500-L502 HydrophobicContact CD2-CD2 4.33Å; L500-L502 HydrophobicContact CD2-CG 4.45Å; L500-L502 HydrophobicContact CG-CD1 4.5Å; L500-L502 HydrophobicContact CG-CD2 4.17Å; L500-L502 HydrophobicContact CG-CG 4.21Å; L502-L521 HydrophobicContact CD1-CD1 3.38Å; L502-L521 HydrophobicContact CD1-CD2 4.41Å; L502-L521 HydrophobicContact CD1-CG 4.18Å; L502-L521 HydrophobicContact CD2-CD1 3.9Å; L502-L521 HydrophobicContact CG-CD1 4.25Å; L502-V530 HydrophobicContact CD1-CG1 3.69Å; L502-V530 HydrophobicContact CG-CG1 4.46Å; L502-V531 PolarHBondContact N-O 2.92Å; L502-V532 HydrophobicContact CB-CG1 4.33Å; L502-V532 HydrophobicContact CB-CG2 4.4Å; L502-V532 HydrophobicContact CD1-CG2 3.8Å; L502-V533 PolarHBondContact O-N 2.52Å |
| 503 | D | 90.3 | Very high | 83.1 | Confident | 16 Ų | 16 | 38.5 Ų | 38.5 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 98.8 | -176.1 | -166.3 | 19.8 | 0 | 0 | 0 | 110.8 | S382 I385 V421 Q423 A505 | S382-D503 WeakPolarHBondContact CB-OD1 3.36Å; S382-D503 PolarHBondContact OG-OD1 3.17Å; I385-D503 HydrophobicContact CD1-CB 3.55Å; I385-D503 HydrophobicContact CG2-CB 4.36Å; V421-D503 PolarHBondContact O-N 2.94Å; Q423-D503 VanDerWaalsContact CA-O 3.25Å; Q423-D503 WeakPolarHBondContact CA-O 3.15Å; Q423-D503 PolarHBondContact N-O 2.95Å; D503-A505 PolarHBondContact O-N 2.79Å |
| 504 | E | 84.8 | Confident | 82.3 | Confident | 31 Ų | 31 | 39.6 Ų | 39.6 | 15% | 0.145 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 49.4 | 35.6 | 178.5 | -63.6 | -167 | -179.8 | 0 | 0 | 114.1 | Q423 T506 S507 V533 | Q423-E504 HydrophobicContact CB-CB 4.3Å; Q423-E504 HydrophobicContact CG-CB 3.87Å; Q423-E504 PolarHBondContact NE2-OE2 3.18Å; E504-T506 PolarHBondContact O-N 2.9Å; E504-S507 PolarHBondContact O-N 2.87Å; E504-S507 PolarHBondContact O-OG 3.33Å; E504-V533 VanDerWaalsContact CA-O 3.27Å; E504-V533 WeakPolarHBondContact CA-O 3.21Å; E504-V533 HydrophobicContact CG-CG1 3.71Å; E504-V533 PolarHBondContact N-O 3.02Å |
| 505 | A | 77 | Confident | 81.5 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -2.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V421 Q485 D503 F517 | V421-A505 HydrophobicContact CG1-CB 4.03Å; Q485-A505 PolarHBondContact NE2-O 3.14Å; Q485-A505 PolarHBondContact OE1-O 3.01Å; D503-A505 PolarHBondContact O-N 2.79Å; A505-F517 HydrophobicContact CB-CE1 4.12Å; A505-F517 HydrophobicContact CB-CE2 4.15Å; A505-F517 HydrophobicContact CB-CZ 3.42Å; A505-F517 VanDerWaalsContact CB-CZ 3.42Å |
| 506 | T | 78 | Confident | 80.9 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -3.2 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | E504 S508 L509 E514 F517 T539 | E504-T506 PolarHBondContact O-N 2.9Å; T506-S508 VanDerWaalsContact C-N 3.31Å; T506-S508 PolarHBondContact O-N 2.95Å; T506-L509 PolarHBondContact O-N 3.18Å; T506-E514 HydrophobicContact CG2-CG 4.38Å; T506-F517 HydrophobicContact CG2-CD1 3.53Å; T506-F517 HydrophobicContact CG2-CE1 3.52Å; T506-T539 HydrophobicContact CG2-CG2 4.2Å |
| 507 | S | 71.8 | Confident | 80.3 | Confident | 41 Ų | 41 | 41.8 Ų | 41.8 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -30.2 | -168.2 | 67.8 | 0 | 0 | 0 | 0 | 114.4 | Q423 E504 | Q423-S507 VanDerWaalsContact CG-OG 3.26Å; Q423-S507 WeakPolarHBondContact CG-OG 3.45Å; Q423-S507 PolarHBondContact NE2-OG 2.8Å; E504-S507 PolarHBondContact O-N 2.87Å; E504-S507 PolarHBondContact O-OG 3.33Å |
| 508 | S | 67.3 | Low | 79.7 | Confident | 69 Ų | 69 | 43.6 Ų | 43.6 | 48% | 0.483 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 8.2 | -175.4 | 58 | 0 | 0 | 0 | 0 | 114.1 | T506 | T506-S508 VanDerWaalsContact C-N 3.31Å; T506-S508 PolarHBondContact O-N 2.95Å |
| 509 | L | 72.5 | Confident | 79.1 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | trans | -93.3 | 140.3 | -177.8 | -65.7 | -168.5 | 0 | 0 | 0 | 113.4 | G481 Q485 T506 E514 F517 R536 | G481-L509 VanDerWaalsContact C-CD2 3.48Å; Q485-L509 HydrophobicContact CG-CD2 4.47Å; Q485-L509 VanDerWaalsContact OE1-CD2 3.27Å; T506-L509 PolarHBondContact O-N 3.18Å; L509-E514 HydrophobicContact CB-CB 4.3Å; L509-E514 HydrophobicContact CD1-CB 4.48Å; L509-F517 HydrophobicContact CD1-CB 3.58Å; L509-F517 HydrophobicContact CD1-CD1 4.36Å; L509-F517 HydrophobicContact CD1-CD2 4.22Å; L509-F517 HydrophobicContact CD1-CG 3.8Å; L509-R536 PolarHBondContact O-NH2 3.28Å | ||
| 510 | D | 72.9 | Confident | 78.5 | Confident | 86 Ų | 86 | 44.7 Ų | 44.7 | 46% | 0.46 | 23% | 0.233 | S | C | . | . | trans | -68.1 | 151.4 | 163.1 | 63.1 | -60.1 | 0 | 0 | 0 | 110.7 | K512 S513 E514 | D510-K512 PolarHBondContact O-N 2.88Å; D510-K512 VanDerWaalsContact O-N 3.08Å; D510-S513 PolarHBondContact O-N 3.42Å; D510-S513 WeakPolarHBondContact OD1-CB 3.28Å; D510-S513 PolarHBondContact OD1-OG 3.26Å; D510-S513 PolarHBondContact OD2-N 3.26Å; D510-S513 PolarHBondContact OD2-OG 3.21Å; D510-E514 PolarHBondContact O-N 3.08Å | ||
| 511 | A | 70.3 | Confident | 77.9 | Confident | 60 Ų | 60 | 44.9 Ų | 44.9 | 50% | 0.496 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.2 | -32.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R515 | A511-R515 PolarHBondContact O-N 3.29Å |
| 512 | K | 71.4 | Confident | 77.4 | Confident | 167 Ų | 167 | 48.3 Ų | 48.3 | 73% | 0.726 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -70.2 | -48.1 | 176.6 | -173.2 | 178.1 | 179.8 | 177.8 | 0 | 111.6 | D510 E514 R515 V516 | D510-K512 PolarHBondContact O-N 2.88Å; D510-K512 VanDerWaalsContact O-N 3.08Å; K512-E514 VanDerWaalsContact C-N 3.29Å; K512-E514 PolarHBondContact O-N 3.33Å; K512-R515 PolarHBondContact O-N 3.21Å; K512-V516 PolarHBondContact O-N 3.09Å |
| 513 | S | 73.4 | Confident | 77 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -33.3 | 175 | -63 | 0 | 0 | 0 | 0 | 112.6 | D510 V516 F517 | D510-S513 PolarHBondContact O-N 3.42Å; D510-S513 WeakPolarHBondContact OD1-CB 3.28Å; D510-S513 PolarHBondContact OD1-OG 3.26Å; D510-S513 PolarHBondContact OD2-N 3.26Å; D510-S513 PolarHBondContact OD2-OG 3.21Å; S513-V516 PolarHBondContact O-N 3.23Å; S513-F517 WeakPolarHBondContact O-CB 3.46Å; S513-F517 PolarHBondContact O-N 3.45Å |
| 514 | E | 75.2 | Confident | 76.6 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 176.9 | -176.4 | -172.6 | -149 | 0 | 0 | 111.8 | T506 L509 D510 K512 V516 F517 Q518 R536 | T506-E514 HydrophobicContact CG2-CG 4.38Å; L509-E514 HydrophobicContact CB-CB 4.3Å; L509-E514 HydrophobicContact CD1-CB 4.48Å; D510-E514 PolarHBondContact O-N 3.08Å; K512-E514 VanDerWaalsContact C-N 3.29Å; K512-E514 PolarHBondContact O-N 3.33Å; E514-V516 VanDerWaalsContact C-N 3.31Å; E514-V516 PolarHBondContact O-N 2.76Å; E514-F517 CarbonylContact O-C 3.54Å; E514-F517 WeakPolarHBondContact O-CB 3.46Å; E514-F517 PolarHBondContact O-N 2.97Å; E514-Q518 WeakPolarHBondContact O-CB 3.43Å; E514-Q518 PolarHBondContact O-N 3.24Å; E514-R536 WeakPolarHBondContact OE1-CD 3.36Å; E514-R536 IonicContact OE1-CZ 3.32Å; E514-R536 IonicContact OE1-NE 2.82Å; E514-R536 IonicContact OE1-NH1 3.6Å; E514-R536 PolarHBondContact OE1-NH1 2.89Å; E514-R536 IonicContact OE2-CZ 3.19Å; E514-R536 IonicContact OE2-NH1 3.71Å; E514-R536 PolarHBondContact OE2-NH1 2.98Å |
| 515 | R | 76.5 | Confident | 76.6 | Confident | 185 Ų | 185 | 53.4 Ų | 53.4 | 70% | 0.698 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59 | -44.3 | 176.2 | -71.3 | -178.6 | -175.6 | 169.5 | 2 | 111.6 | A511 K512 F517 Q518 M519 | A511-R515 PolarHBondContact O-N 3.29Å; K512-R515 PolarHBondContact O-N 3.21Å; R515-F517 VanDerWaalsContact C-N 3.33Å; R515-F517 PolarHBondContact O-N 3.17Å; R515-Q518 PolarHBondContact O-N 3.36Å; R515-M519 WeakPolarHBondContact O-CG 3.37Å; R515-M519 PolarHBondContact O-N 3.16Å; R515-M519 VanDerWaalsContact O-N 3.13Å |
| 516 | V | 76.1 | Confident | 76.9 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 111 | K512 S513 E514 A520 | K512-V516 PolarHBondContact O-N 3.09Å; S513-V516 PolarHBondContact O-N 3.23Å; E514-V516 VanDerWaalsContact C-N 3.31Å; E514-V516 PolarHBondContact O-N 2.76Å; V516-A520 PolarHBondContact O-N 3.35Å |
| 517 | F | 76.9 | Confident | 77.1 | Confident | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 176.6 | 176.9 | -89.1 | 0 | 0 | 0 | 112 | Q485 I489 A505 T506 L509 S513 E514 R515 M519 A520 L521 | Q485-F517 HydrophobicContact CB-CD2 3.97Å; Q485-F517 HydrophobicContact CB-CE2 4.01Å; I489-F517 HydrophobicContact CD1-CD2 3.59Å; I489-F517 HydrophobicContact CD1-CE2 3.19Å; I489-F517 HydrophobicContact CD1-CZ 3.9Å; I489-F517 HydrophobicContact CG1-CE2 4.04Å; A505-F517 HydrophobicContact CB-CE1 4.12Å; A505-F517 HydrophobicContact CB-CE2 4.15Å; A505-F517 HydrophobicContact CB-CZ 3.42Å; A505-F517 VanDerWaalsContact CB-CZ 3.42Å; T506-F517 HydrophobicContact CG2-CD1 3.53Å; T506-F517 HydrophobicContact CG2-CE1 3.52Å; L509-F517 HydrophobicContact CD1-CB 3.58Å; L509-F517 HydrophobicContact CD1-CD1 4.36Å; L509-F517 HydrophobicContact CD1-CD2 4.22Å; L509-F517 HydrophobicContact CD1-CG 3.8Å; S513-F517 WeakPolarHBondContact O-CB 3.46Å; S513-F517 PolarHBondContact O-N 3.45Å; E514-F517 CarbonylContact O-C 3.54Å; E514-F517 WeakPolarHBondContact O-CB 3.46Å; E514-F517 PolarHBondContact O-N 2.97Å; R515-F517 VanDerWaalsContact C-N 3.33Å; R515-F517 PolarHBondContact O-N 3.17Å; F517-M519 VanDerWaalsContact C-N 3.32Å; F517-M519 PolarHBondContact O-N 2.94Å; F517-A520 CarbonylContact O-C 3.39Å; F517-A520 WeakPolarHBondContact O-CA 2.88Å; F517-A520 WeakPolarHBondContact O-CB 3.34Å; F517-A520 PolarHBondContact O-N 3.23Å; F517-L521 HydrophobicContact CE1-CB 4.37Å; F517-L521 HydrophobicContact CE1-CD1 4.05Å; F517-L521 HydrophobicContact CE1-CD2 4.15Å; F517-L521 HydrophobicContact CE1-CG 4.43Å; F517-L521 HydrophobicContact CZ-CD1 4.03Å; F517-L521 WeakPolarHBondContact O-CB 3.04Å; F517-L521 PolarHBondContact O-N 3.29Å |
| 518 | Q | 78.3 | Confident | 78 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 19% | 0.187 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 179.2 | -170.2 | 63.4 | 39.9 | 0 | 0 | 111.2 | E514 R515 A520 L521 D522 | E514-Q518 WeakPolarHBondContact O-CB 3.43Å; E514-Q518 PolarHBondContact O-N 3.24Å; R515-Q518 PolarHBondContact O-N 3.36Å; Q518-A520 VanDerWaalsContact C-N 3.3Å; Q518-A520 PolarHBondContact O-N 2.99Å; Q518-L521 WeakPolarHBondContact O-CB 3.32Å; Q518-L521 PolarHBondContact O-N 3.31Å; Q518-L521 VanDerWaalsContact O-N 3.1Å; Q518-D522 PolarHBondContact NE2-OD1 3.33Å; Q518-D522 VanDerWaalsContact O-CG 3.24Å; Q518-D522 PolarHBondContact O-N 2.92Å |
| 519 | M | 79.5 | Confident | 79.2 | Confident | 110 Ų | 110 | 61.1 Ų | 61.1 | 54% | 0.542 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 173.8 | -66 | 177.4 | 98.1 | 0 | 0 | 112.6 | R515 F517 R523 | R515-M519 WeakPolarHBondContact O-CG 3.37Å; R515-M519 PolarHBondContact O-N 3.16Å; R515-M519 VanDerWaalsContact O-N 3.13Å; F517-M519 VanDerWaalsContact C-N 3.32Å; F517-M519 PolarHBondContact O-N 2.94Å; M519-R523 WeakPolarHBondContact O-CG 3.45Å |
| 520 | A | 78.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.6 | -36.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A455 N456 I489 V516 F517 Q518 A524 | A455-A520 WeakPolarHBondContact O-CB 3.43Å; N456-A520 HydrophobicContact CB-CB 3.97Å; I489-A520 HydrophobicContact CD1-CB 4.28Å; V516-A520 PolarHBondContact O-N 3.35Å; F517-A520 CarbonylContact O-C 3.39Å; F517-A520 WeakPolarHBondContact O-CA 2.88Å; F517-A520 WeakPolarHBondContact O-CB 3.34Å; F517-A520 PolarHBondContact O-N 3.23Å; Q518-A520 VanDerWaalsContact C-N 3.3Å; Q518-A520 PolarHBondContact O-N 2.99Å; A520-A524 VanDerWaalsContact O-CB 3.32Å; A520-A524 WeakPolarHBondContact O-CB 3.44Å; A520-A524 PolarHBondContact O-N 3.22Å |
| 521 | L | 81 | Confident | 81.1 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.3 | -48.3 | 179.3 | -161.2 | 68.9 | 0 | 0 | 0 | 111.9 | L502 F517 Q518 R523 A524 I525 | L502-L521 HydrophobicContact CD1-CD1 3.38Å; L502-L521 HydrophobicContact CD1-CD2 4.41Å; L502-L521 HydrophobicContact CD1-CG 4.18Å; L502-L521 HydrophobicContact CD2-CD1 3.9Å; L502-L521 HydrophobicContact CG-CD1 4.25Å; F517-L521 HydrophobicContact CE1-CB 4.37Å; F517-L521 HydrophobicContact CE1-CD1 4.05Å; F517-L521 HydrophobicContact CE1-CD2 4.15Å; F517-L521 HydrophobicContact CE1-CG 4.43Å; F517-L521 HydrophobicContact CZ-CD1 4.03Å; F517-L521 WeakPolarHBondContact O-CB 3.04Å; F517-L521 PolarHBondContact O-N 3.29Å; Q518-L521 WeakPolarHBondContact O-CB 3.32Å; Q518-L521 PolarHBondContact O-N 3.31Å; Q518-L521 VanDerWaalsContact O-N 3.1Å; L521-R523 PolarHBondContact O-N 3.08Å; L521-A524 CarbonylContact O-C 3.57Å; L521-A524 WeakPolarHBondContact O-CA 3.41Å; L521-A524 WeakPolarHBondContact O-CB 3.3Å; L521-A524 PolarHBondContact O-N 2.87Å; L521-I525 HydrophobicContact CD2-CD1 4.35Å; L521-I525 HydrophobicContact CG-CD1 3.96Å; L521-I525 HydrophobicContact CG-CG1 4.45Å; L521-I525 VanDerWaalsContact O-CG1 3.25Å; L521-I525 WeakPolarHBondContact O-CG1 3.34Å; L521-I525 PolarHBondContact O-N 3.21Å |
| 522 | D | 81.9 | Confident | 82.2 | Confident | 72 Ų | 72 | 54.5 Ų | 54.5 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.7 | -40.7 | -178.9 | -64.8 | -20.5 | 0 | 0 | 0 | 110.5 | Q518 I525 | Q518-D522 PolarHBondContact NE2-OD1 3.33Å; Q518-D522 VanDerWaalsContact O-CG 3.24Å; Q518-D522 PolarHBondContact O-N 2.92Å; D522-I525 PolarHBondContact O-N 3.4Å |
| 523 | R | 82.7 | Confident | 83.1 | Confident | 119 Ų | 119 | 46.6 Ų | 46.6 | 45% | 0.449 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.3 | -35 | 173.1 | -67 | 179 | -175.3 | 168.4 | 3.7 | 113.2 | M519 L521 I525 | M519-R523 WeakPolarHBondContact O-CG 3.45Å; L521-R523 PolarHBondContact O-N 3.08Å; R523-I525 VanDerWaalsContact C-N 3.34Å |
| 524 | A | 82.5 | Confident | 83.5 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.3 | -28.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I489 L493 L500 A520 L521 R528 | I489-A524 HydrophobicContact CG2-CB 4.39Å; L493-A524 HydrophobicContact CD1-CB 4.02Å; L493-A524 HydrophobicContact CD2-CB 4Å; L493-A524 HydrophobicContact CG-CB 4.45Å; L500-A524 HydrophobicContact CD2-CB 4.17Å; A520-A524 VanDerWaalsContact O-CB 3.32Å; A520-A524 WeakPolarHBondContact O-CB 3.44Å; A520-A524 PolarHBondContact O-N 3.22Å; L521-A524 CarbonylContact O-C 3.57Å; L521-A524 WeakPolarHBondContact O-CA 3.41Å; L521-A524 WeakPolarHBondContact O-CB 3.3Å; L521-A524 PolarHBondContact O-N 2.87Å; A524-R528 WeakPolarHBondContact O-CD 3.41Å; A524-R528 PolarHBondContact O-NH1 3.02Å |
| 525 | I | 84.9 | Confident | 83.5 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.4 | -33.7 | -178 | -71.3 | 164.6 | 0 | 0 | 0 | 112.1 | L521 D522 R523 G527 R528 V530 | L521-I525 HydrophobicContact CD2-CD1 4.35Å; L521-I525 HydrophobicContact CG-CD1 3.96Å; L521-I525 HydrophobicContact CG-CG1 4.45Å; L521-I525 VanDerWaalsContact O-CG1 3.25Å; L521-I525 WeakPolarHBondContact O-CG1 3.34Å; L521-I525 PolarHBondContact O-N 3.21Å; D522-I525 PolarHBondContact O-N 3.4Å; R523-I525 VanDerWaalsContact C-N 3.34Å; I525-G527 PolarHBondContact O-N 2.98Å; I525-R528 PolarHBondContact O-N 2.96Å; I525-V530 HydrophobicContact CB-CG2 4.24Å; I525-V530 HydrophobicContact CG1-CG1 4.26Å; I525-V530 HydrophobicContact CG1-CG2 4.11Å; I525-V530 HydrophobicContact CG2-CG2 3.96Å |
| 526 | E | 82.6 | Confident | 83.5 | Confident | 149 Ų | 149 | 43.4 Ų | 43.4 | 70% | 0.696 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 120.6 | -173.7 | -72.5 | -177.5 | -178.2 | 0 | 0 | 113.3 | R528 | E526-R528 PolarHBondContact O-NH1 3.43Š|
| 527 | G | 83.3 | Confident | 83.6 | Confident | 85 Ų | 85 | 40.8 Ų | 40.8 | 88% | 0.876 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 13.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116 | I525 | I525-G527 PolarHBondContact O-N 2.98Š|
| 528 | R | 89.8 | Confident | 83.7 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 18% | 0.177 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -126 | 153.4 | -177.5 | -58.9 | 176.8 | -175.2 | 72.5 | 13 | 111.3 | P497 A524 I525 E526 V530 | P497-R528 WeakPolarHBondContact O-CD 3.13Å; P497-R528 WeakPolarHBondContact O-CG 3.38Å; P497-R528 PolarHBondContact O-NE 3.01Å; A524-R528 WeakPolarHBondContact O-CD 3.41Å; A524-R528 PolarHBondContact O-NH1 3.02Å; I525-R528 PolarHBondContact O-N 2.96Å; E526-R528 PolarHBondContact O-NH1 3.43Å; R528-V530 HydrophobicContact CB-CG2 4.23Å |
| 529 | T | 93 | Very high | 83.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 129 | 162.4 | -57 | 0 | 0 | 0 | 0 | 108.1 | G338 I365 S367 G368 K498 L499 L500 | G338-T529 WeakPolarHBondContact O-CG2 3.47Å; G338-T529 PolarHBondContact O-OG1 3Å; I365-T529 HydrophobicContact CG2-CG2 3.45Å; I365-T529 VanDerWaalsContact CG2-CG2 3.45Å; S367-T529 WeakPolarHBondContact CA-OG1 3.44Å; G368-T529 PolarHBondContact N-OG1 3.44Å; K498-T529 PolarHBondContact O-N 3.37Å; L499-T529 CarbonylContact C-O 3.59Å; L499-T529 WeakPolarHBondContact CA-O 3.43Å; L499-T529 HydrophobicContact CD1-CG2 3.86Å; L500-T529 PolarHBondContact N-O 3.03Å |
| 530 | V | 92.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.7 | -174.3 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | Q369 T370 V371 L500 L502 I525 R528 V532 | Q369-V530 PolarHBondContact O-N 3.43Å; T370-V530 CarbonylContact C-O 3.48Å; T370-V530 WeakPolarHBondContact CA-O 3.28Å; T370-V530 HydrophobicContact CG2-CB 4.21Å; V371-V530 PolarHBondContact N-O 2.92Å; L500-V530 HydrophobicContact CB-CG1 4.43Å; L500-V530 HydrophobicContact CB-CG2 4.21Å; L500-V530 WeakPolarHBondContact O-CA 3.48Å; L502-V530 HydrophobicContact CD1-CG1 3.69Å; L502-V530 HydrophobicContact CG-CG1 4.46Å; I525-V530 HydrophobicContact CB-CG2 4.24Å; I525-V530 HydrophobicContact CG1-CG1 4.26Å; I525-V530 HydrophobicContact CG1-CG2 4.11Å; I525-V530 HydrophobicContact CG2-CG2 3.96Å; R528-V530 HydrophobicContact CB-CG2 4.23Å; V530-V532 HydrophobicContact CG1-CG2 3.62Å |
| 531 | V | 93.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 113.8 | 171.2 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | I365 V371 L373 L388 L499 L500 L501 L502 | I365-V531 HydrophobicContact CD1-CG2 3.74Å; V371-V531 WeakPolarHBondContact O-CA 3.5Å; L373-V531 HydrophobicContact CD1-CG1 3.98Å; L373-V531 HydrophobicContact CG-CG1 4.26Å; L388-V531 HydrophobicContact CD1-CB 4.22Å; L388-V531 HydrophobicContact CD1-CG1 4.16Å; L388-V531 HydrophobicContact CD1-CG2 3.9Å; L499-V531 HydrophobicContact CD1-CG2 4.21Å; L500-V531 PolarHBondContact O-N 3.26Å; L501-V531 HydrophobicContact CD2-CB 3.87Å; L501-V531 HydrophobicContact CD2-CG2 4.12Å; L502-V531 PolarHBondContact N-O 2.92Å |
| 532 | V | 91.6 | Very high | 84.1 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.2 | -177.3 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | T370 V371 A372 L373 L502 V530 A534 | T370-V532 HydrophobicContact CG2-CG2 4.41Å; V371-V532 PolarHBondContact O-N 3.42Å; A372-V532 CarbonylContact C-O 3.51Å; A372-V532 WeakPolarHBondContact CA-O 3.46Å; L373-V532 PolarHBondContact N-O 3.16Å; L502-V532 HydrophobicContact CB-CG1 4.33Å; L502-V532 HydrophobicContact CB-CG2 4.4Å; L502-V532 HydrophobicContact CD1-CG2 3.8Å; V530-V532 HydrophobicContact CG1-CG2 3.62Å; V532-A534 HydrophobicContact CG1-CB 4.34Å |
| 533 | V | 90.6 | Very high | 84.4 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117.3 | 162.3 | 175.9 | 0 | 0 | 0 | 0 | 106.8 | L373 K381 I385 L502 E504 | L373-V533 HydrophobicContact CB-CG2 4.06Å; L373-V533 HydrophobicContact CD1-CG2 3.96Å; L373-V533 HydrophobicContact CG-CG2 4.46Å; K381-V533 HydrophobicContact CB-CB 4.49Å; K381-V533 HydrophobicContact CB-CG1 3.58Å; K381-V533 HydrophobicContact CB-CG2 4.04Å; K381-V533 HydrophobicContact CD-CG1 4.07Å; K381-V533 HydrophobicContact CG-CG1 4.45Å; I385-V533 HydrophobicContact CD1-CB 4.01Å; I385-V533 HydrophobicContact CD1-CG2 3.37Å; I385-V533 HydrophobicContact CG1-CG2 3.89Å; L502-V533 PolarHBondContact O-N 2.52Å; E504-V533 VanDerWaalsContact CA-O 3.27Å; E504-V533 WeakPolarHBondContact CA-O 3.21Å; E504-V533 HydrophobicContact CG-CG1 3.71Å; E504-V533 PolarHBondContact N-O 3.02Å |
| 534 | A | 81.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | trans | -121 | 138.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V532 T539 V540 | V532-A534 HydrophobicContact CG1-CB 4.34Å; A534-T539 WeakPolarHBondContact CB-OG1 3.48Å; A534-V540 HydrophobicContact CB-CG1 3.36Å | ||
| 535 | H | 76.9 | Confident | 85.2 | Confident | 105 Ų | 105 | 51.1 Ų | 51.1 | 49% | 0.486 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -81.9 | -44.4 | 162.9 | -173.5 | -95.4 | 0 | 0 | 0 | 110.4 | Q577 | H535-Q577 PolarHBondContact O-NE2 3.24Š|
| 536 | R | 74.8 | Confident | 85.6 | Confident | 59 Ų | 59 | 49.4 Ų | 49.4 | 22% | 0.223 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -84.7 | 122.5 | -179.1 | -63.5 | -179.4 | -177.7 | -174.5 | 6.4 | 110.7 | L509 E514 K538 T539 | L509-R536 PolarHBondContact O-NH2 3.28Å; E514-R536 WeakPolarHBondContact OE1-CD 3.36Å; E514-R536 IonicContact OE1-CZ 3.32Å; E514-R536 IonicContact OE1-NE 2.82Å; E514-R536 IonicContact OE1-NH1 3.6Å; E514-R536 PolarHBondContact OE1-NH1 2.89Å; E514-R536 IonicContact OE2-CZ 3.19Å; E514-R536 IonicContact OE2-NH1 3.71Å; E514-R536 PolarHBondContact OE2-NH1 2.98Å; R536-K538 PolarHBondContact O-N 3.31Å; R536-T539 PolarHBondContact O-N 3.42Å; R536-T539 PolarHBondContact O-OG1 3.42Å |
| 537 | L | 79.9 | Confident | 86.1 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -71.3 | -19.5 | -175.4 | -66.1 | 168.7 | 0 | 0 | 0 | 113.3 | V374 T539 V540 Y570 M573 L574 Q577 | V374-L537 HydrophobicContact CB-CD2 4.47Å; V374-L537 HydrophobicContact CG1-CD2 3.47Å; V374-L537 VanDerWaalsContact CG1-CD2 3.47Å; V374-L537 HydrophobicContact CG2-CD2 4.12Å; L537-T539 VanDerWaalsContact C-N 3.27Å; L537-T539 PolarHBondContact O-N 3.44Å; L537-V540 HydrophobicContact CB-CG2 4.46Å; L537-V540 HydrophobicContact CD2-CG2 4.18Å; L537-V540 WeakPolarHBondContact O-CG2 3.25Å; L537-V540 PolarHBondContact O-N 3.11Å; L537-Y570 HydrophobicContact CD2-CD2 4.25Å; L537-Y570 HydrophobicContact CD2-CE2 3.67Å; L537-M573 HydrophobicContact CD1-CB 3.93Å; L537-L574 HydrophobicContact CB-CD1 4.01Å; L537-L574 VanDerWaalsContact CD1-CA 3.48Å; L537-L574 HydrophobicContact CD1-CB 4Å; L537-L574 HydrophobicContact CD1-CD1 3.9Å; L537-Q577 HydrophobicContact CD1-CB 4.36Å; L537-Q577 HydrophobicContact CD1-CG 4.26Å |
| 538 | K | 78.1 | Confident | 86.5 | Confident | 113 Ų | 113 | 38.2 Ų | 38.2 | 49% | 0.491 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -57.1 | -38.4 | 174.9 | -77.2 | 179.1 | 172.3 | 147.5 | 0 | 112.7 | R536 V540 E581 | R536-K538 PolarHBondContact O-N 3.31Å; K538-V540 VanDerWaalsContact C-N 3.29Å; K538-V540 PolarHBondContact O-N 3.4Å; K538-E581 WeakPolarHBondContact CD-OE1 3.5Å; K538-E581 WeakPolarHBondContact CE-OE1 3.21Å; K538-E581 WeakPolarHBondContact CE-OE2 3.35Å; K538-E581 IonicContact NZ-OE1 2.81Å; K538-E581 PolarHBondContact NZ-OE1 2.75Å; K538-E581 IonicContact NZ-OE2 2.77Å; K538-E581 PolarHBondContact NZ-OE2 3.29Å |
| 539 | T | 74.5 | Confident | 86.6 | Confident | 22 Ų | 22 | 36 Ų | 36 | 14% | 0.135 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -75.6 | -17.9 | -175.7 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | T506 A534 R536 L537 | T506-T539 HydrophobicContact CG2-CG2 4.2Å; A534-T539 WeakPolarHBondContact CB-OG1 3.48Å; R536-T539 PolarHBondContact O-N 3.42Å; R536-T539 PolarHBondContact O-OG1 3.42Å; L537-T539 VanDerWaalsContact C-N 3.27Å; L537-T539 PolarHBondContact O-N 3.44Å |
| 540 | V | 83.2 | Confident | 86.4 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -100.6 | -2.4 | -178.1 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | A372 V374 A534 L537 K538 N542 A543 | A372-V540 HydrophobicContact CB-CB 3.56Å; A372-V540 HydrophobicContact CB-CG1 3.44Å; A372-V540 VanDerWaalsContact CB-CG1 3.44Å; V374-V540 HydrophobicContact CG2-CG1 4.46Å; V374-V540 HydrophobicContact CG2-CG2 4.12Å; A534-V540 HydrophobicContact CB-CG1 3.36Å; L537-V540 HydrophobicContact CB-CG2 4.46Å; L537-V540 HydrophobicContact CD2-CG2 4.18Å; L537-V540 WeakPolarHBondContact O-CG2 3.25Å; L537-V540 PolarHBondContact O-N 3.11Å; K538-V540 VanDerWaalsContact C-N 3.29Å; K538-V540 PolarHBondContact O-N 3.4Å; V540-N542 PolarHBondContact O-N 3.48Å; V540-A543 WeakPolarHBondContact O-CB 3.38Å; V540-A543 PolarHBondContact O-N 3.29Å |
| 541 | R | 83.7 | Confident | 86.1 | Confident | 160 Ų | 160 | 45.2 Ų | 45.2 | 60% | 0.604 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -38.1 | -178.2 | -174.5 | 179.4 | -179.6 | -174.7 | -1.5 | 112.9 | A543 | R541-A543 VanDerWaalsContact C-N 3.31Š|
| 542 | N | 84.3 | Confident | 85.6 | Confident | 137 Ų | 137 | 45.2 Ų | 45.2 | 73% | 0.733 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 7.9 | -178.4 | -62 | -17.1 | 0 | 0 | 0 | 113.1 | V540 | V540-N542 PolarHBondContact O-N 3.48Š|
| 543 | A | 87.3 | Confident | 85.5 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | trans | -70 | 139.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T370 A372 V540 R541 L545 I546 | T370-A543 HydrophobicContact CG2-CB 4.21Å; A372-A543 HydrophobicContact CB-CB 3.64Å; V540-A543 WeakPolarHBondContact O-CB 3.38Å; V540-A543 PolarHBondContact O-N 3.29Å; R541-A543 VanDerWaalsContact C-N 3.31Å; A543-L545 PolarHBondContact O-N 2.84Å; A543-I546 HydrophobicContact CB-CG1 4.13Å | ||
| 544 | N | 90.7 | Very high | 85.5 | Confident | 94 Ų | 94 | 49.7 Ų | 49.7 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -67.3 | -28 | 176.8 | -58.4 | 99.7 | 0 | 0 | 0 | 112.3 | Q369 T370 | Q369-N544 HydrophobicContact CG-CB 3.77Å; T370-N544 WeakPolarHBondContact CB-OD1 3.4Å; T370-N544 PolarHBondContact N-OD1 3.19Å; T370-N544 PolarHBondContact O-N 3.41Å |
| 545 | L | 93.1 | Very high | 85.9 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 126.6 | 177.2 | 177.3 | 68.1 | 0 | 0 | 0 | 109.4 | L363 Q369 T370 V371 A372 A543 V547 | L363-L545 HydrophobicContact CD1-CD2 4.39Å; Q369-L545 VanDerWaalsContact NE2-CB 3.29Å; T370-L545 PolarHBondContact O-N 3.47Å; V371-L545 CarbonylContact C-O 3.34Å; V371-L545 VanDerWaalsContact CA-O 3.31Å; V371-L545 WeakPolarHBondContact CA-O 3.28Å; V371-L545 HydrophobicContact CG1-CD2 4.42Å; V371-L545 HydrophobicContact CG2-CB 4.35Å; V371-L545 HydrophobicContact CG2-CD2 4.36Å; A372-L545 PolarHBondContact N-O 3.03Å; A543-L545 PolarHBondContact O-N 2.84Å; L545-V547 HydrophobicContact CD2-CG2 4.19Å; L545-V547 HydrophobicContact CG-CG2 4.11Å |
| 546 | I | 93.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.8 | 173.2 | -58.7 | 172.7 | 0 | 0 | 0 | 107.5 | A372 V374 A543 S557 G558 H560 L563 Y570 | A372-I546 HydrophobicContact CB-CG1 4.19Å; A372-I546 CarbonylContact O-C 3.55Å; A372-I546 WeakPolarHBondContact O-CA 3.48Å; V374-I546 HydrophobicContact CB-CG2 4.49Å; V374-I546 HydrophobicContact CG2-CG2 3.98Å; A543-I546 HydrophobicContact CB-CG1 4.13Å; I546-S557 VanDerWaalsContact O-CA 3.26Å; I546-S557 WeakPolarHBondContact O-CA 3.27Å; I546-G558 WeakPolarHBondContact CB-O 3.33Å; I546-G558 PolarHBondContact N-O 3.49Å; I546-G558 PolarHBondContact O-N 3.44Å; I546-H560 HydrophobicContact CD1-CB 4.06Å; I546-L563 HydrophobicContact CB-CD1 3.59Å; I546-L563 HydrophobicContact CD1-CD1 4.47Å; I546-L563 HydrophobicContact CG2-CD1 3.57Å; I546-Y570 HydrophobicContact CD1-CE2 4.04Å; I546-Y570 HydrophobicContact CG2-CD2 3.97Å; I546-Y570 HydrophobicContact CG2-CE2 3.77Å |
| 547 | V | 93.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 118.4 | -179.4 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | L363 V371 A372 L373 V374 L545 L549 V554 | L363-V547 HydrophobicContact CD1-CG2 3.64Å; V371-V547 HydrophobicContact CG1-CG2 3.95Å; A372-V547 PolarHBondContact O-N 3.27Å; L373-V547 HydrophobicContact CD2-CB 3.91Å; L373-V547 HydrophobicContact CD2-CG1 4.35Å; L373-V547 HydrophobicContact CD2-CG2 4.34Å; V374-V547 PolarHBondContact N-O 3.46Å; L545-V547 HydrophobicContact CD2-CG2 4.19Å; L545-V547 HydrophobicContact CG-CG2 4.11Å; V547-L549 HydrophobicContact CG1-CD1 4.27Å; V547-V554 HydrophobicContact CG1-CB 4.35Å; V547-V554 HydrophobicContact CG1-CG1 3.68Å; V547-V554 HydrophobicContact CG1-CG2 3.81Å |
| 548 | V | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117.7 | -179.6 | -169.2 | 0 | 0 | 0 | 0 | 109.2 | V374 C555 E556 L563 L569 Y570 | V374-V548 CarbonylContact O-C 3.51Å; V374-V548 WeakPolarHBondContact O-CA 3.33Å; V548-C555 PolarHBondContact O-N 2.7Å; V548-E556 HydrophobicContact CB-CB 4.02Å; V548-E556 HydrophobicContact CG2-CB 3.85Å; V548-E556 PolarHBondContact N-O 3.43Å; V548-L563 HydrophobicContact CG2-CD1 4.19Å; V548-L569 HydrophobicContact CG1-CB 4.24Å; V548-L569 HydrophobicContact CG1-CD2 3.8Å; V548-L569 HydrophobicContact CG1-CG 4.13Å; V548-Y570 HydrophobicContact CG2-CD2 4.25Å; V548-Y570 HydrophobicContact CG2-CG 4.45Å |
| 549 | L | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.4 | 175.6 | -69.6 | 93.7 | 0 | 0 | 0 | 110.7 | L358 F361 L373 V374 G375 P376 S379 V384 V547 V553 | L358-L549 HydrophobicContact CD2-CD2 4.27Å; F361-L549 HydrophobicContact CD2-CD2 4.15Å; F361-L549 HydrophobicContact CE2-CD2 3.66Å; F361-L549 HydrophobicContact CE2-CG 4.16Å; L373-L549 HydrophobicContact CB-CD1 4.13Å; L373-L549 HydrophobicContact CD2-CD1 4.13Å; V374-L549 PolarHBondContact O-N 3.49Å; G375-L549 WeakPolarHBondContact CA-O 3.32Å; P376-L549 VanDerWaalsContact CD-O 3.27Å; P376-L549 WeakPolarHBondContact CD-O 3.16Å; S379-L549 WeakPolarHBondContact CB-O 3.31Å; S379-L549 PolarHBondContact OG-O 3.17Å; V384-L549 HydrophobicContact CG2-CD2 4.45Å; V547-L549 HydrophobicContact CG1-CD1 4.27Å; L549-V553 WeakPolarHBondContact CA-O 3.42Å |
| 550 | D | 88.8 | Confident | 89.2 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.2 | 162.7 | -173.3 | 32.4 | 0 | 0 | 0 | 110.5 | G552 V553 C555 L569 | D550-G552 PolarHBondContact O-N 3.45Å; D550-V553 PolarHBondContact N-O 2.65Å; D550-V553 PolarHBondContact O-N 3.48Å; D550-C555 VanDerWaalsContact CB-SG 3.55Å; D550-L569 HydrophobicContact CB-CD2 3.99Å |
| 551 | K | 85.7 | Confident | 89.6 | Confident | 146 Ų | 146 | 52.5 Ų | 52.5 | 64% | 0.635 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.5 | 34 | 178.8 | -64.1 | 169.1 | -172.6 | 169 | 0 | 114.9 | ||
| 552 | G | 83.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | I357 K359 S379 D550 | I357-G552 WeakPolarHBondContact O-CA 3.32Å; K359-G552 PolarHBondContact N-O 3.43Å; S379-G552 WeakPolarHBondContact O-CA 3.34Å; S379-G552 PolarHBondContact O-N 3.46Å; D550-G552 PolarHBondContact O-N 3.45Å |
| 553 | V | 89.5 | Confident | 90.1 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 147 | 179.5 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | K359 L549 D550 C555 | K359-V553 HydrophobicContact CB-CG2 3.98Å; L549-V553 WeakPolarHBondContact CA-O 3.42Å; D550-V553 PolarHBondContact N-O 2.65Å; D550-V553 PolarHBondContact O-N 3.48Å; V553-C555 PolarHBondContact O-N 3.33Å |
| 554 | V | 90.8 | Very high | 90.2 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 26% | 0.255 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 116.4 | 170.5 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | F361 V547 | F361-V554 HydrophobicContact CD2-CG2 3.66Å; F361-V554 HydrophobicContact CE2-CG2 3.36Å; F361-V554 HydrophobicContact CZ-CG2 4.25Å; V547-V554 HydrophobicContact CG1-CB 4.35Å; V547-V554 HydrophobicContact CG1-CG1 3.68Å; V547-V554 HydrophobicContact CG1-CG2 3.81Å |
| 555 | C | 89.2 | Confident | 90.1 | Very high | 69 Ų | 69 | 44.8 Ų | 44.8 | 47% | 0.466 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -44 | -179.6 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | V548 D550 V553 | V548-C555 PolarHBondContact O-N 2.7Å; D550-C555 VanDerWaalsContact CB-SG 3.55Å; V553-C555 PolarHBondContact O-N 3.33Å |
| 556 | E | 91.1 | Very high | 89.7 | Confident | 31 Ų | 31 | 49 Ų | 49 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 147 | -175.7 | -68.5 | 157.9 | -151.3 | 0 | 0 | 109 | V548 L563 G568 L569 Y570 | V548-E556 HydrophobicContact CB-CB 4.02Å; V548-E556 HydrophobicContact CG2-CB 3.85Å; V548-E556 PolarHBondContact N-O 3.43Å; E556-L563 HydrophobicContact CB-CD2 3.69Å; E556-G568 WeakPolarHBondContact OE1-CA 3.49Å; E556-L569 PolarHBondContact OE1-N 3.47Å; E556-L569 PolarHBondContact OE2-N 3.38Å; E556-Y570 PolarHBondContact OE2-N 3.01Å; E556-Y570 VanDerWaalsContact OE2-N 3.09Å |
| 557 | S | 91.5 | Very high | 89.2 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 127.9 | 174.7 | 64.2 | 0 | 0 | 0 | 0 | 110.7 | I546 | I546-S557 VanDerWaalsContact O-CA 3.26Å; I546-S557 WeakPolarHBondContact O-CA 3.27Å |
| 558 | G | 91.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | -173.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I546 E562 | I546-G558 WeakPolarHBondContact CB-O 3.33Å; I546-G558 PolarHBondContact N-O 3.49Å; I546-G558 PolarHBondContact O-N 3.44Å; G558-E562 VanDerWaalsContact CA-OE2 3.26Å; G558-E562 WeakPolarHBondContact CA-OE2 3.43Å |
| 559 | T | 91.9 | Very high | 88.7 | Confident | 48 Ų | 48 | 61.3 Ų | 61.3 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | trans | -74.9 | 167.3 | 168.4 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | D561 E562 L563 | T559-D561 VanDerWaalsContact C-N 3.26Å; T559-D561 PolarHBondContact O-N 3.26Å; T559-E562 PolarHBondContact N-OE2 3.48Å; T559-E562 PolarHBondContact O-N 3.19Å; T559-E562 VanDerWaalsContact OG1-CG 3.26Å; T559-E562 WeakPolarHBondContact OG1-CG 3.07Å; T559-E562 PolarHBondContact OG1-N 3.42Å; T559-E562 PolarHBondContact OG1-OE2 3.48Å; T559-L563 WeakPolarHBondContact O-CG 3.39Å; T559-L563 PolarHBondContact O-N 3.16Å | ||
| 560 | H | 88.9 | Confident | 88.6 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 11% | 0.106 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -52.7 | -46.4 | 175.9 | 178.4 | 73.2 | 0 | 0 | 0 | 112.1 | I546 V564 Y570 | I546-H560 HydrophobicContact CD1-CB 4.06Å; H560-V564 WeakPolarHBondContact O-CB 3.29Å; H560-V564 WeakPolarHBondContact O-CG2 3.43Å; H560-V564 PolarHBondContact O-N 3.17Å; H560-Y570 AromaticContact ND1-CE1 3.6Å; H560-Y570 AromaticContact ND1-CZ 3.67Å; H560-Y570 PolarHBondContact ND1-OH 2.96Å |
| 561 | D | 89.9 | Confident | 88.4 | Confident | 121 Ų | 121 | 60 Ų | 60 | 65% | 0.647 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.9 | -36.9 | -175.8 | -61 | -33.1 | 0 | 0 | 0 | 112 | T559 A565 | T559-D561 VanDerWaalsContact C-N 3.26Å; T559-D561 PolarHBondContact O-N 3.26Å; D561-A565 WeakPolarHBondContact O-CB 3.28Å; D561-A565 PolarHBondContact O-N 3.41Å |
| 562 | E | 91.4 | Very high | 88.4 | Confident | 106 Ų | 106 | 55 Ų | 55 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -50.1 | 174.8 | -73.2 | 164.2 | -174.6 | 0 | 0 | 111.4 | G558 T559 V564 A565 E566 | G558-E562 VanDerWaalsContact CA-OE2 3.26Å; G558-E562 WeakPolarHBondContact CA-OE2 3.43Å; T559-E562 PolarHBondContact N-OE2 3.48Å; T559-E562 PolarHBondContact O-N 3.19Å; T559-E562 VanDerWaalsContact OG1-CG 3.26Å; T559-E562 WeakPolarHBondContact OG1-CG 3.07Å; T559-E562 PolarHBondContact OG1-N 3.42Å; T559-E562 PolarHBondContact OG1-OE2 3.48Å; E562-V564 VanDerWaalsContact C-N 3.33Å; E562-V564 PolarHBondContact O-N 3.42Å; E562-A565 WeakPolarHBondContact O-CB 3.25Å; E562-A565 PolarHBondContact O-N 3.33Å; E562-A565 VanDerWaalsContact O-N 3.13Å; E562-E566 WeakPolarHBondContact O-CG 3.27Å; E562-E566 PolarHBondContact O-N 2.97Å |
| 563 | L | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.2 | -31.6 | -178.2 | -67.4 | -178.4 | 0 | 0 | 0 | 113.1 | I546 V548 E556 T559 Y570 | I546-L563 HydrophobicContact CB-CD1 3.59Å; I546-L563 HydrophobicContact CD1-CD1 4.47Å; I546-L563 HydrophobicContact CG2-CD1 3.57Å; V548-L563 HydrophobicContact CG2-CD1 4.19Å; E556-L563 HydrophobicContact CB-CD2 3.69Å; T559-L563 WeakPolarHBondContact O-CG 3.39Å; T559-L563 PolarHBondContact O-N 3.16Å; L563-Y570 HydrophobicContact CB-CD1 3.43Å; L563-Y570 VanDerWaalsContact CB-CD1 3.43Å; L563-Y570 HydrophobicContact CB-CE1 4.12Å; L563-Y570 HydrophobicContact CB-CG 3.85Å; L563-Y570 HydrophobicContact CD1-CD1 4.13Å; L563-Y570 HydrophobicContact CD1-CD2 4.13Å; L563-Y570 HydrophobicContact CD1-CG 3.88Å; L563-Y570 HydrophobicContact CG-CD1 4.46Å |
| 564 | V | 88 | Confident | 88.2 | Confident | 55 Ų | 55 | 54.4 Ų | 54.4 | 33% | 0.333 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.8 | -38.5 | 172.5 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | H560 E562 K567 Y570 L574 | H560-V564 WeakPolarHBondContact O-CB 3.29Å; H560-V564 WeakPolarHBondContact O-CG2 3.43Å; H560-V564 PolarHBondContact O-N 3.17Å; E562-V564 VanDerWaalsContact C-N 3.33Å; E562-V564 PolarHBondContact O-N 3.42Å; V564-K567 PolarHBondContact O-N 3.43Å; V564-Y570 HydrophobicContact CG2-CD1 4.31Å; V564-Y570 HydrophobicContact CG2-CE1 4.01Å; V564-L574 HydrophobicContact CG2-CD2 3.78Å |
| 565 | A | 88.2 | Confident | 87.7 | Confident | 77 Ų | 77 | 55.1 Ų | 55.1 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.5 | -35.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D561 E562 K567 | D561-A565 WeakPolarHBondContact O-CB 3.28Å; D561-A565 PolarHBondContact O-N 3.41Å; E562-A565 WeakPolarHBondContact O-CB 3.25Å; E562-A565 PolarHBondContact O-N 3.33Å; E562-A565 VanDerWaalsContact O-N 3.13Å; A565-K567 PolarHBondContact O-N 3.5Å |
| 566 | E | 85.5 | Confident | 87.2 | Confident | 122 Ų | 122 | 56.2 Ų | 56.2 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -67.8 | -17.3 | 177.8 | -75.1 | -176.1 | 170.4 | 0 | 0 | 113.7 | E562 G568 | E562-E566 WeakPolarHBondContact O-CG 3.27Å; E562-E566 PolarHBondContact O-N 2.97Å; E566-G568 PolarHBondContact O-N 3.11Å |
| 567 | K | 83.3 | Confident | 86.3 | Confident | 181 Ų | 181 | 56.1 Ų | 56.1 | 79% | 0.787 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 32.7 | -178 | -61.6 | -178.4 | -179.3 | 177.8 | 0 | 113.5 | V564 A565 | V564-K567 PolarHBondContact O-N 3.43Å; A565-K567 PolarHBondContact O-N 3.5Å |
| 568 | G | 86.8 | Confident | 85.1 | Confident | 20 Ų | 20 | 60 Ų | 60 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -80.6 | -159.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E556 E566 Y570 A571 A572 | E556-G568 WeakPolarHBondContact OE1-CA 3.49Å; E566-G568 PolarHBondContact O-N 3.11Å; G568-Y570 VanDerWaalsContact C-N 3.27Å; G568-Y570 PolarHBondContact O-N 3.24Å; G568-A571 PolarHBondContact O-N 3.25Å; G568-A572 PolarHBondContact O-N 2.76Å |
| 569 | L | 86.8 | Confident | 83.8 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 176.4 | -175.1 | 63.5 | 0 | 0 | 0 | 111.6 | V548 D550 E556 A572 M573 | V548-L569 HydrophobicContact CG1-CB 4.24Å; V548-L569 HydrophobicContact CG1-CD2 3.8Å; V548-L569 HydrophobicContact CG1-CG 4.13Å; D550-L569 HydrophobicContact CB-CD2 3.99Å; E556-L569 PolarHBondContact OE1-N 3.47Å; E556-L569 PolarHBondContact OE2-N 3.38Å; L569-A572 PolarHBondContact O-N 2.91Å; L569-M573 HydrophobicContact CD1-CE 3.86Å; L569-M573 HydrophobicContact CD2-CE 3.81Å; L569-M573 HydrophobicContact CG-CE 3.59Å; L569-M573 VanDerWaalsContact O-CG 3.31Å; L569-M573 WeakPolarHBondContact O-CG 3.29Å; L569-M573 PolarHBondContact O-N 3.44Å |
| 570 | Y | 88.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 174 | -177.1 | -102.2 | 0 | 0 | 0 | 112.2 | V374 L537 I546 V548 E556 H560 L563 V564 G568 A572 M573 L574 | V374-Y570 HydrophobicContact CG1-CD2 4.33Å; L537-Y570 HydrophobicContact CD2-CD2 4.25Å; L537-Y570 HydrophobicContact CD2-CE2 3.67Å; I546-Y570 HydrophobicContact CD1-CE2 4.04Å; I546-Y570 HydrophobicContact CG2-CD2 3.97Å; I546-Y570 HydrophobicContact CG2-CE2 3.77Å; V548-Y570 HydrophobicContact CG2-CD2 4.25Å; V548-Y570 HydrophobicContact CG2-CG 4.45Å; E556-Y570 PolarHBondContact OE2-N 3.01Å; E556-Y570 VanDerWaalsContact OE2-N 3.09Å; H560-Y570 AromaticContact ND1-CE1 3.6Å; H560-Y570 AromaticContact ND1-CZ 3.67Å; H560-Y570 PolarHBondContact ND1-OH 2.96Å; L563-Y570 HydrophobicContact CB-CD1 3.43Å; L563-Y570 VanDerWaalsContact CB-CD1 3.43Å; L563-Y570 HydrophobicContact CB-CE1 4.12Å; L563-Y570 HydrophobicContact CB-CG 3.85Å; L563-Y570 HydrophobicContact CD1-CD1 4.13Å; L563-Y570 HydrophobicContact CD1-CD2 4.13Å; L563-Y570 HydrophobicContact CD1-CG 3.88Å; L563-Y570 HydrophobicContact CG-CD1 4.46Å; V564-Y570 HydrophobicContact CG2-CD1 4.31Å; V564-Y570 HydrophobicContact CG2-CE1 4.01Å; G568-Y570 VanDerWaalsContact C-N 3.27Å; G568-Y570 PolarHBondContact O-N 3.24Å; Y570-A572 VanDerWaalsContact C-N 3.29Å; Y570-A572 PolarHBondContact O-N 3.45Å; Y570-M573 PolarHBondContact O-N 2.98Å; Y570-L574 WeakPolarHBondContact O-CB 3.47Å; Y570-L574 PolarHBondContact O-N 2.93Å |
| 571 | A | 86 | Confident | 80.7 | Confident | 21 Ų | 21 | 68.4 Ų | 68.4 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | G568 L574 S575 | G568-A571 PolarHBondContact O-N 3.25Å; A571-L574 PolarHBondContact O-N 3.12Å; A571-S575 PolarHBondContact O-N 3.36Å; A571-S575 PolarHBondContact O-OG 3.43Å |
| 572 | A | 84.7 | Confident | 78.7 | Confident | 41 Ų | 41 | 65.7 Ų | 65.7 | 34% | 0.339 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G568 L569 Y570 L574 S575 N576 | G568-A572 PolarHBondContact O-N 2.76Å; L569-A572 PolarHBondContact O-N 2.91Å; Y570-A572 VanDerWaalsContact C-N 3.29Å; Y570-A572 PolarHBondContact O-N 3.45Å; A572-L574 VanDerWaalsContact C-N 3.33Å; A572-S575 WeakPolarHBondContact CA-OG 3.43Å; A572-S575 PolarHBondContact O-N 3.18Å; A572-S575 PolarHBondContact O-OG 2.79Å; A572-N576 WeakPolarHBondContact O-CB 3.43Å; A572-N576 PolarHBondContact O-N 2.92Å; A572-N576 PolarHBondContact O-ND2 2.94Å; A572-N576 PolarHBondContact O-OD1 2.79Å |
| 573 | M | 84.1 | Confident | 76.7 | Confident | 33 Ų | 33 | 62 Ų | 62 | 16% | 0.163 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 173.2 | -71.1 | 177.4 | -175.2 | 0 | 0 | 111.5 | V374 P376 L537 L569 Y570 N576 Q577 | V374-M573 HydrophobicContact CG1-SD 3.96Å; P376-M573 HydrophobicContact CB-CE 4.46Å; P376-M573 VanDerWaalsContact CD-CE 3.45Å; P376-M573 HydrophobicContact CG-CE 4.36Å; L537-M573 HydrophobicContact CD1-CB 3.93Å; L569-M573 HydrophobicContact CD1-CE 3.86Å; L569-M573 HydrophobicContact CD2-CE 3.81Å; L569-M573 HydrophobicContact CG-CE 3.59Å; L569-M573 VanDerWaalsContact O-CG 3.31Å; L569-M573 WeakPolarHBondContact O-CG 3.29Å; L569-M573 PolarHBondContact O-N 3.44Å; Y570-M573 PolarHBondContact O-N 2.98Å; M573-N576 PolarHBondContact O-N 3.47Å; M573-Q577 WeakPolarHBondContact O-CB 3.2Å; M573-Q577 PolarHBondContact O-N 3.42Å |
| 574 | L | 84.7 | Confident | 74.6 | Confident | 21 Ų | 21 | 67.7 Ų | 67.7 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 177.6 | -169.2 | 70.9 | 0 | 0 | 0 | 111.9 | L537 V564 Y570 A571 A572 R578 | L537-L574 HydrophobicContact CB-CD1 4.01Å; L537-L574 VanDerWaalsContact CD1-CA 3.48Å; L537-L574 HydrophobicContact CD1-CB 4Å; L537-L574 HydrophobicContact CD1-CD1 3.9Å; V564-L574 HydrophobicContact CG2-CD2 3.78Å; Y570-L574 WeakPolarHBondContact O-CB 3.47Å; Y570-L574 PolarHBondContact O-N 2.93Å; A571-L574 PolarHBondContact O-N 3.12Å; A572-L574 VanDerWaalsContact C-N 3.33Å; L574-R578 WeakPolarHBondContact O-CB 3.44Å; L574-R578 WeakPolarHBondContact O-CG 3.23Å; L574-R578 PolarHBondContact O-N 3.22Å |
| 575 | S | 80.3 | Confident | 72.3 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 39% | 0.392 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 173.7 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | A571 A572 R578 I579 | A571-S575 PolarHBondContact O-N 3.36Å; A571-S575 PolarHBondContact O-OG 3.43Å; A572-S575 WeakPolarHBondContact CA-OG 3.43Å; A572-S575 PolarHBondContact O-N 3.18Å; A572-S575 PolarHBondContact O-OG 2.79Å; S575-R578 PolarHBondContact O-N 3.09Å; S575-I579 WeakPolarHBondContact O-CD1 2.98Å; S575-I579 VanDerWaalsContact O-CG1 3.22Å; S575-I579 WeakPolarHBondContact O-CG1 3.15Å; S575-I579 PolarHBondContact O-N 3.03Å |
| 576 | N | 79.5 | Confident | 69.9 | Low | 92 Ų | 92 | 68.5 Ų | 68.5 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 178.6 | -68.8 | -10.1 | 0 | 0 | 0 | 111.8 | A572 M573 I579 L580 | A572-N576 WeakPolarHBondContact O-CB 3.43Å; A572-N576 PolarHBondContact O-N 2.92Å; A572-N576 PolarHBondContact O-ND2 2.94Å; A572-N576 PolarHBondContact O-OD1 2.79Å; M573-N576 PolarHBondContact O-N 3.47Å; N576-I579 PolarHBondContact O-N 3.38Å; N576-L580 VanDerWaalsContact O-CG 3.29Å; N576-L580 WeakPolarHBondContact O-CG 3.21Å; N576-L580 PolarHBondContact O-N 2.91Å |
| 577 | Q | 72.8 | Confident | 67.7 | Low | 29 Ų | 29 | 65.1 Ų | 65.1 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.1 | -36.7 | 174.1 | -80.7 | -167.1 | -4.6 | 0 | 0 | 112.7 | H535 L537 M573 I579 L580 E581 | H535-Q577 PolarHBondContact O-NE2 3.24Å; L537-Q577 HydrophobicContact CD1-CB 4.36Å; L537-Q577 HydrophobicContact CD1-CG 4.26Å; M573-Q577 WeakPolarHBondContact O-CB 3.2Å; M573-Q577 PolarHBondContact O-N 3.42Å; Q577-I579 VanDerWaalsContact C-N 3.27Å; Q577-I579 PolarHBondContact O-N 2.95Å; Q577-L580 CarbonylContact O-C 3.55Å; Q577-L580 PolarHBondContact O-N 3.03Å; Q577-E581 WeakPolarHBondContact O-CB 3.48Å; Q577-E581 WeakPolarHBondContact O-CG 3.35Å; Q577-E581 PolarHBondContact O-N 3.32Å |
| 578 | R | 66.4 | Low | 65.7 | Low | 153 Ų | 153 | 59.4 Ų | 59.4 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.4 | -37.3 | 173.4 | -79.4 | 179.9 | -177.7 | 172.7 | 3 | 111.9 | L574 S575 E581 S582 | L574-R578 WeakPolarHBondContact O-CB 3.44Å; L574-R578 WeakPolarHBondContact O-CG 3.23Å; L574-R578 PolarHBondContact O-N 3.22Å; S575-R578 PolarHBondContact O-N 3.09Å; R578-E581 PolarHBondContact O-N 3.36Å; R578-S582 WeakPolarHBondContact O-CB 3.35Å; R578-S582 PolarHBondContact O-N 3.43Å; R578-S582 PolarHBondContact O-OG 3.25Å |
| 579 | I | 64.1 | Low | 63.3 | Low | 111 Ų | 111 | 65 Ų | 65 | 57% | 0.569 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.6 | -44.6 | 174.7 | -67.2 | 161.2 | 0 | 0 | 0 | 110.2 | S575 N576 Q577 S582 A583 | S575-I579 WeakPolarHBondContact O-CD1 2.98Å; S575-I579 VanDerWaalsContact O-CG1 3.22Å; S575-I579 WeakPolarHBondContact O-CG1 3.15Å; S575-I579 PolarHBondContact O-N 3.03Å; N576-I579 PolarHBondContact O-N 3.38Å; Q577-I579 VanDerWaalsContact C-N 3.27Å; Q577-I579 PolarHBondContact O-N 2.95Å; I579-S582 WeakPolarHBondContact CA-OG 3.22Å; I579-S582 PolarHBondContact O-OG 2.97Å; I579-A583 PolarHBondContact O-N 3.39Å; I579-A583 VanDerWaalsContact O-N 3.15Å |
| 580 | L | 58.8 | Low | 60.8 | Low | 107 Ų | 107 | 69.2 Ų | 69.2 | 56% | 0.56 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67.4 | -37.9 | 176.1 | -67.4 | 164.2 | 0 | 0 | 0 | 112.3 | N576 Q577 A583 E584 | N576-L580 VanDerWaalsContact O-CG 3.29Å; N576-L580 WeakPolarHBondContact O-CG 3.21Å; N576-L580 PolarHBondContact O-N 2.91Å; Q577-L580 CarbonylContact O-C 3.55Å; Q577-L580 PolarHBondContact O-N 3.03Å; L580-A583 CarbonylContact O-C 3.58Å; L580-A583 WeakPolarHBondContact O-CB 3.36Å; L580-A583 PolarHBondContact O-N 2.92Å; L580-E584 WeakPolarHBondContact O-CG 3.31Å; L580-E584 PolarHBondContact O-N 3.41Å |
| 581 | E | 56.4 | Low | 58.2 | Low | 34 Ų | 34 | 75.1 Ų | 75.1 | 16% | 0.159 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -79.5 | -27.9 | -179.7 | -75.3 | -176 | 155.4 | 0 | 0 | 112.6 | K538 Q577 R578 A583 E584 N585 | K538-E581 WeakPolarHBondContact CD-OE1 3.5Å; K538-E581 WeakPolarHBondContact CE-OE1 3.21Å; K538-E581 WeakPolarHBondContact CE-OE2 3.35Å; K538-E581 IonicContact NZ-OE1 2.81Å; K538-E581 PolarHBondContact NZ-OE1 2.75Å; K538-E581 IonicContact NZ-OE2 2.77Å; K538-E581 PolarHBondContact NZ-OE2 3.29Å; Q577-E581 WeakPolarHBondContact O-CB 3.48Å; Q577-E581 WeakPolarHBondContact O-CG 3.35Å; Q577-E581 PolarHBondContact O-N 3.32Å; R578-E581 PolarHBondContact O-N 3.36Å; E581-A583 VanDerWaalsContact C-N 3.27Å; E581-E584 PolarHBondContact O-N 2.81Å; E581-N585 WeakPolarHBondContact O-CA 3.49Å; E581-N585 WeakPolarHBondContact O-CB 3.28Å; E581-N585 PolarHBondContact O-N 3.12Å; E581-N585 PolarHBondContact O-ND2 2.88Å |
| 582 | S | 48.6 | Very low | 55.6 | Low | 64 Ų | 64 | 81.1 Ų | 81.1 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.9 | -33.9 | 168 | 47.9 | 0 | 0 | 0 | 0 | 110.1 | R578 I579 D586 | R578-S582 WeakPolarHBondContact O-CB 3.35Å; R578-S582 PolarHBondContact O-N 3.43Å; R578-S582 PolarHBondContact O-OG 3.25Å; I579-S582 WeakPolarHBondContact CA-OG 3.22Å; I579-S582 PolarHBondContact O-OG 2.97Å; S582-D586 WeakPolarHBondContact O-CB 3.39Å; S582-D586 PolarHBondContact O-N 3.45Å |
| 583 | A | 48.1 | Very low | 53 | Low | 28 Ų | 28 | 88.3 Ų | 88.3 | 23% | 0.231 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -67.9 | -36.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | I579 L580 E581 D587 | I579-A583 PolarHBondContact O-N 3.39Å; I579-A583 VanDerWaalsContact O-N 3.15Å; L580-A583 CarbonylContact O-C 3.58Å; L580-A583 WeakPolarHBondContact O-CB 3.36Å; L580-A583 PolarHBondContact O-N 2.92Å; E581-A583 VanDerWaalsContact C-N 3.27Å; A583-D587 VanDerWaalsContact O-OD1 3.13Å |
| 584 | E | 44.4 | Very low | 50.3 | Low | 119 Ų | 119 | 90.2 Ų | 90.2 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -88.1 | -23.9 | -179.1 | -72.2 | 178.7 | 175 | 0 | 0 | 116 | L580 E581 D587 S588 | L580-E584 WeakPolarHBondContact O-CG 3.31Å; L580-E584 PolarHBondContact O-N 3.41Å; E581-E584 PolarHBondContact O-N 2.81Å; E584-D587 WeakPolarHBondContact O-CB 3.42Å; E584-S588 PolarHBondContact O-OG 2.88Å; E584-S588 VanDerWaalsContact O-OG 3.09Å |
| 585 | N | 40.8 | Very low | 47.6 | Very low | 50 Ų | 50 | 95 Ų | 95 | 27% | 0.267 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -88.4 | -28.8 | 178.9 | -69 | -60 | 0 | 0 | 0 | 112.1 | E581 D587 S588 E589 | E581-N585 WeakPolarHBondContact O-CA 3.49Å; E581-N585 WeakPolarHBondContact O-CB 3.28Å; E581-N585 PolarHBondContact O-N 3.12Å; E581-N585 PolarHBondContact O-ND2 2.88Å; N585-D587 PolarHBondContact O-N 3Å; N585-S588 PolarHBondContact O-N 3.18Å; N585-S588 VanDerWaalsContact O-N 3.09Å; N585-E589 PolarHBondContact O-N 3.21Å |
| 586 | D | 37.9 | Very low | 45 | Very low | 99 Ų | 99 | 101.7 Ų | 101.7 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -22.2 | 165.5 | -76.2 | -11.8 | 0 | 0 | 0 | 111 | S582 | S582-D586 WeakPolarHBondContact O-CB 3.39Å; S582-D586 PolarHBondContact O-N 3.45Å |
| 587 | D | 39.7 | Very low | 42.6 | Very low | 52 Ų | 52 | 104.6 Ų | 104.6 | 28% | 0.278 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -78 | -18.7 | 174.2 | -68.5 | -0.8 | 0 | 0 | 0 | 114.5 | A583 E584 N585 M1233 | A583-D587 VanDerWaalsContact O-OD1 3.13Å; E584-D587 WeakPolarHBondContact O-CB 3.42Å; N585-D587 PolarHBondContact O-N 3Å; D587-M1233 HydrophobicContact CB-CE 3.62Å; D587-M1233 WeakPolarHBondContact OD1-CB 3.23Å; D587-M1233 WeakPolarHBondContact OD1-CE 3.38Å; D587-M1233 WeakPolarHBondContact OD1-CG 3.47Å; D587-M1233 VanDerWaalsContact OD1-SD 3.33Å |
| 588 | S | 40.6 | Very low | 40.4 | Very low | 61 Ų | 61 | 112.2 Ų | 112.2 | 43% | 0.427 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -121.2 | -21.4 | -171.4 | 48.5 | 0 | 0 | 0 | 0 | 115.1 | E584 N585 | E584-S588 PolarHBondContact O-OG 2.88Å; E584-S588 VanDerWaalsContact O-OG 3.09Å; N585-S588 PolarHBondContact O-N 3.18Å; N585-S588 VanDerWaalsContact O-N 3.09Å |
| 589 | E | 36.4 | Very low | 38.6 | Very low | 137 Ų | 137 | 115.2 Ų | 115.2 | 64% | 0.64 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -87.3 | -14.4 | 178.8 | -67.5 | -169.7 | 163.9 | 0 | 0 | 114.1 | N585 F591 | N585-E589 PolarHBondContact O-N 3.21Å; E589-F591 VanDerWaalsContact C-N 3.29Å; E589-F591 PolarHBondContact O-N 3.4Å |
| 590 | L | 34.6 | Very low | 36.7 | Very low | 146 Ų | 146 | 116 Ų | 116 | 76% | 0.764 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 4.2 | 174.3 | -88.2 | 146 | 0 | 0 | 0 | 114.7 | ||
| 591 | F | 33.4 | Very low | 35.3 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 54% | 0.544 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.7 | -1.9 | 178.4 | -76.2 | -65.5 | 0 | 0 | 0 | 115.6 | E589 | E589-F591 VanDerWaalsContact C-N 3.29Å; E589-F591 PolarHBondContact O-N 3.4Å |
| 592 | D | 31.7 | Very low | 33.8 | Very low | 147 Ų | 147 | 120.8 Ų | 120.8 | 79% | 0.786 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -125.7 | 9.1 | -170.2 | -116.2 | -7.5 | 0 | 0 | 0 | 116.5 | ||
| 593 | E | 29.1 | Very low | 32.9 | Very low | 192 Ų | 192 | 120.5 Ų | 120.5 | 90% | 0.897 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -126.6 | 93.6 | 173.5 | -69.7 | -165.4 | 162.5 | 0 | 0 | 112.5 | ||
| 594 | G | 27.6 | Very low | 31.9 | Very low | 72 Ų | 72 | 128.9 Ų | 128.9 | 74% | 0.742 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 139.2 | 57.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 595 | S | 28.7 | Very low | 31.1 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 85% | 0.846 | 70% | 0.704 | S | S | * | * | trans | -169.4 | 64.8 | 154.5 | -77.2 | 0 | 0 | 0 | 0 | 111.4 | N597 | S595-N597 VanDerWaalsContact C-N 3.26Å; S595-N597 PolarHBondContact O-N 2.95Å | ||
| 596 | Q | 26.4 | Very low | 30.7 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 92% | 0.921 | 74% | 0.736 | S | S | * | * | trans | -68.4 | 91.5 | 153 | -76.5 | -173.5 | -3.6 | 0 | 0 | 107.8 | ||||
| 597 | N | 28.4 | Very low | 30.2 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -147.6 | 122.2 | 157.9 | -107.3 | -21.3 | 0 | 0 | 0 | 112 | S595 | S595-N597 VanDerWaalsContact C-N 3.26Å; S595-N597 PolarHBondContact O-N 2.95Å | ||
| 598 | K | 25.5 | Very low | 29.7 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -47.7 | 127.1 | 177.5 | -70.6 | 162.1 | 171 | 170.8 | 0 | 112.7 | ||||
| 599 | Y | 28.4 | Very low | 29.2 | Very low | 217 Ų | 217 | 149.9 Ų | 149.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -125.3 | 88 | 143.1 | -85.3 | -81.8 | 0 | 0 | 0 | 109.1 | ||||
| 600 | V | 25.7 | Very low | 28.9 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -85.3 | 114.8 | 153.4 | 172.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 601 | V | 29.7 | Very low | 28.6 | Very low | 131 Ų | 131 | 148 Ų | 148 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -111 | 100.9 | 158.6 | 178.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 602 | S | 25 | Very low | 28.4 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -83.1 | 155.2 | 160.6 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 603 | G | 29.3 | Very low | 28.2 | Very low | 59 Ų | 59 | 148.5 Ų | 148.5 | 61% | 0.608 | 81% | 0.806 | S | S | * | * | trans | 116.2 | 101.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 604 | K | 26.3 | Very low | 28 | Very low | 204 Ų | 204 | 144.6 Ų | 144.6 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | 36 | 83.3 | 64.2 | -86.4 | -176.1 | 177.4 | 177.4 | 0 | 110.6 | |||||
| 605 | D | 27.5 | Very low | 27.9 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 168.6 | 112 | 136.8 | -83.8 | -19.5 | 0 | 0 | 0 | 109.1 | ||||
| 606 | L | 33.6 | Very low | 27.8 | Very low | 181 Ų | 181 | 151.4 Ų | 151.4 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | trans | 170 | 62.7 | 142.9 | -88 | 155 | 0 | 0 | 0 | 108.4 | ||||
| 607 | L | 27.4 | Very low | 27.8 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -76.9 | 149.3 | 147.4 | -80.9 | 161 | 0 | 0 | 0 | 108 | ||||
| 608 | T | 29 | Very low | 27.8 | Very low | 128 Ų | 128 | 147 Ų | 147 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 111 | 127.5 | 156.4 | 71.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 609 | K | 30.3 | Very low | 27.8 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | trans | 83.8 | 119.2 | 168.8 | -57.2 | 176.2 | 179.3 | 177.1 | 0 | 114.7 | ||||
| 610 | S | 30.3 | Very low | 27.8 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | cis | -170.1 | 131.8 | 11.9 | 46.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 611 | D | 27.1 | Very low | 28 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 35.2 | 107.3 | 140.7 | -53.6 | -29.1 | 0 | 0 | 0 | 119.6 | ||||
| 612 | N | 29.1 | Very low | 27.7 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | -179.1 | 105.8 | 105.4 | -87.2 | -38.3 | 0 | 0 | 0 | 112.9 | |||||
| 613 | I | 27.4 | Very low | 28 | Very low | 142 Ų | 142 | 142 Ų | 142 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | 68.3 | 111.8 | 126.3 | -58.7 | 167.3 | 0 | 0 | 0 | 119.2 | |||||
| 614 | C | 25.9 | Very low | 28 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | 74.7 | 139.6 | 151.5 | -71.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 615 | K | 26 | Very low | 27.9 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | cis | 178.9 | 128.7 | -24.5 | -118.3 | 180 | -178.6 | -177.2 | 0 | 104 | ||||
| 616 | M | 24.6 | Very low | 27.9 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 80% | 0.803 | 76% | 0.756 | S | S | * | * | trans | 57.5 | 137.6 | 146.8 | -70.3 | 165.6 | 128.7 | 0 | 0 | 119.1 | ||||
| 617 | D | 27.2 | Very low | 27.6 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 63% | 0.631 | 75% | 0.752 | S | S | * | * | cis | -172.7 | 149.3 | 7.6 | -136.3 | 16 | 0 | 0 | 0 | 109.3 | ||||
| 618 | N | 27.9 | Very low | 27.6 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | 67.1 | 121.1 | 152.2 | -48.3 | -28.8 | 0 | 0 | 0 | 119.4 | ||||
| 619 | G | 26.1 | Very low | 27.4 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | cis | 116.1 | 97.6 | 20.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 620 | E | 28.9 | Very low | 27.4 | Very low | 194 Ų | 194 | 128.9 Ų | 128.9 | 91% | 0.907 | 73% | 0.73 | S | S | * | * | trans | -162.9 | 128.2 | 162.2 | -114.3 | 172.4 | -154.5 | 0 | 0 | 111.5 | ||||
| 621 | E | 29.5 | Very low | 27.3 | Very low | 193 Ų | 193 | 127.9 Ų | 127.9 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | trans | -89.3 | 161.6 | -163.8 | -69.2 | 173.4 | 145.3 | 0 | 0 | 114.3 | ||||
| 622 | S | 24 | Very low | 27.4 | Very low | 60 Ų | 60 | 130 Ų | 130 | 42% | 0.42 | 72% | 0.72 | S | S | . | * | trans | -65.2 | 130.7 | -179.1 | 48.7 | 0 | 0 | 0 | 0 | 115.5 | E1005 | S622-E1005 PolarHBondContact OG-OE1 3.37Š| ||
| 623 | I | 30 | Very low | 27.3 | Very low | 148 Ų | 148 | 125.9 Ų | 125.9 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -129.9 | 126.2 | 162.3 | -61.2 | 178.2 | 0 | 0 | 0 | 110.2 | ||||
| 624 | S | 29.4 | Very low | 27.3 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | trans | -76.5 | 144.3 | -176.4 | -65.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 625 | E | 25.4 | Very low | 27.4 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 48% | 0.481 | 71% | 0.713 | S | S | . | * | trans | -70 | 127 | 178.5 | -63.7 | 170.9 | 146.1 | 0 | 0 | 112.7 | ||||
| 626 | T | 27.8 | Very low | 27.5 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -168.6 | 132.7 | 143.3 | 3.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 627 | T | 26.1 | Very low | 27.9 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 87% | 0.865 | 69% | 0.688 | S | S | * | * | trans | 74.7 | 122.5 | 165.7 | 71.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 628 | G | 27.3 | Very low | 28.1 | Very low | 49 Ų | 49 | 122.4 Ų | 122.4 | 51% | 0.505 | 69% | 0.692 | S | S | . | * | trans | 121.4 | 115.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | V630 | G628-V630 PolarHBondContact O-N 3.49Š| ||
| 629 | N | 25.7 | Very low | 28.3 | Very low | 175 Ų | 175 | 118.5 Ų | 118.5 | 94% | 0.936 | 68% | 0.676 | S | S | * | * | trans | -50.4 | 108 | 166.9 | -75.5 | -34.1 | 0 | 0 | 0 | 111.4 | ||||
| 630 | V | 29.6 | Very low | 28.6 | Very low | 100 Ų | 100 | 117.3 Ų | 117.3 | 61% | 0.606 | 65% | 0.654 | S | S | * | * | trans | -103 | 123.6 | 169 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | G628 Y632 | G628-V630 PolarHBondContact O-N 3.49Å; V630-Y632 PolarHBondContact O-N 3.14Å | ||
| 631 | P | 29.4 | Very low | 29.1 | Very low | 81 Ų | 81 | 112.1 Ų | 112.1 | 53% | 0.526 | 63% | 0.632 | S | S | . | * | trans | -70.9 | 123.5 | 168.6 | -2.7 | 19 | 0 | 0 | 0 | 109.3 | G633 | P631-G633 PolarHBondContact O-N 3.35Å; P631-G633 VanDerWaalsContact O-N 3.14Å | ||
| 632 | Y | 29 | Very low | 29.4 | Very low | 186 Ų | 186 | 105.9 Ų | 105.9 | 73% | 0.729 | 61% | 0.609 | S | S | * | * | trans | -44.5 | 110.8 | 176.8 | -83.2 | -96.3 | 0 | 0 | 0 | 113.7 | V630 I772 | V630-Y632 PolarHBondContact O-N 3.14Å; Y632-I772 HydrophobicContact CE2-CD1 4.08Å; Y632-I772 HydrophobicContact CE2-CG1 4.38Å; Y632-I772 WeakPolarHBondContact OH-CD1 3.35Å | ||
| 633 | G | 26.9 | Very low | 30.1 | Very low | 54 Ų | 54 | 107.7 Ų | 107.7 | 56% | 0.557 | 62% | 0.618 | S | S | * | * | trans | -152.6 | 79.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P631 F635 | P631-G633 PolarHBondContact O-N 3.35Å; P631-G633 VanDerWaalsContact O-N 3.14Å; G633-F635 PolarHBondContact O-N 3.31Å; G633-F635 VanDerWaalsContact O-N 3.1Å | ||
| 634 | N | 26.4 | Very low | 30.5 | Very low | 118 Ų | 118 | 104.7 Ų | 104.7 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 49.1 | 39.7 | 146.1 | -68.2 | -21.5 | 0 | 0 | 0 | 120.7 | ||
| 635 | F | 28.1 | Very low | 30.9 | Very low | 202 Ų | 202 | 109 Ų | 109 | 89% | 0.886 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -135.9 | 62.5 | 165.3 | -142.5 | -93.3 | 0 | 0 | 0 | 112.3 | G633 | G633-F635 PolarHBondContact O-N 3.31Å; G633-F635 VanDerWaalsContact O-N 3.1Å |
| 636 | S | 27.9 | Very low | 31.3 | Very low | 71 Ų | 71 | 111.1 Ų | 111.1 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -175.5 | -17.1 | 155.9 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | I638 S639 T640 | S636-I638 PolarHBondContact O-N 3.48Å; S636-S639 PolarHBondContact O-N 3.05Å; S636-S639 PolarHBondContact O-OG 3.15Å; S636-T640 PolarHBondContact O-N 2.81Å; S636-T640 PolarHBondContact O-OG1 2.79Å |
| 637 | L | 32.9 | Very low | 31.9 | Very low | 101 Ų | 101 | 113 Ų | 113 | 53% | 0.529 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -57.1 | -25 | 178.6 | -93.4 | 168.6 | 0 | 0 | 0 | 113.6 | I641 | L637-I641 HydrophobicContact CB-CD1 4.27Å; L637-I641 HydrophobicContact CD2-CD1 3.99Å; L637-I641 HydrophobicContact CD2-CG1 4.14Å; L637-I641 WeakPolarHBondContact O-CA 3.36Å; L637-I641 WeakPolarHBondContact O-CB 3.48Å; L637-I641 WeakPolarHBondContact O-CD1 3.2Å; L637-I641 WeakPolarHBondContact O-CG1 3.44Å; L637-I641 PolarHBondContact O-N 3.44Å |
| 638 | I | 32.7 | Very low | 32.5 | Very low | 140 Ų | 140 | 111.7 Ų | 111.7 | 72% | 0.718 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76.1 | -37.2 | 175.4 | -59.2 | 176.4 | 0 | 0 | 0 | 111.3 | S636 S642 | S636-I638 PolarHBondContact O-N 3.48Å; I638-S642 VanDerWaalsContact O-CB 3.29Å; I638-S642 WeakPolarHBondContact O-CB 3.29Å; I638-S642 PolarHBondContact O-N 3.07Å; I638-S642 PolarHBondContact O-OG 3.25Å |
| 639 | S | 30.7 | Very low | 32.8 | Very low | 57 Ų | 57 | 120.1 Ų | 120.1 | 40% | 0.399 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -74.8 | -42.7 | 174.7 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | S636 I641 S642 V643 | S636-S639 PolarHBondContact O-N 3.05Å; S636-S639 PolarHBondContact O-OG 3.15Å; S639-I641 PolarHBondContact O-N 3.42Å; S639-S642 WeakPolarHBondContact CA-OG 3.37Å; S639-S642 PolarHBondContact O-N 3.14Å; S639-S642 VanDerWaalsContact O-N 3.11Å; S639-S642 PolarHBondContact O-OG 3.38Å; S639-V643 WeakPolarHBondContact O-CG2 3.44Å; S639-V643 PolarHBondContact O-N 3.45Å |
| 640 | T | 33.5 | Very low | 33.3 | Very low | 50 Ų | 50 | 115 Ų | 115 | 31% | 0.307 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.7 | -35.4 | 175.5 | -23.7 | 0 | 0 | 0 | 0 | 112.2 | S636 S642 L644 | S636-T640 PolarHBondContact O-N 2.81Å; S636-T640 PolarHBondContact O-OG1 2.79Å; T640-S642 VanDerWaalsContact C-N 3.34Å; T640-L644 HydrophobicContact CG2-CD1 4.38Å; T640-L644 VanDerWaalsContact O-CB 3.22Å; T640-L644 WeakPolarHBondContact O-CB 3.22Å; T640-L644 WeakPolarHBondContact O-CD1 3.17Å; T640-L644 WeakPolarHBondContact O-CG 3.42Å; T640-L644 PolarHBondContact O-N 3.31Å |
| 641 | I | 38.9 | Very low | 34 | Very low | 85 Ų | 85 | 115.7 Ų | 115.7 | 44% | 0.436 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.1 | -31.5 | 172.3 | -68.3 | 166.8 | 0 | 0 | 0 | 110.9 | L637 S639 R645 | L637-I641 HydrophobicContact CB-CD1 4.27Å; L637-I641 HydrophobicContact CD2-CD1 3.99Å; L637-I641 HydrophobicContact CD2-CG1 4.14Å; L637-I641 WeakPolarHBondContact O-CA 3.36Å; L637-I641 WeakPolarHBondContact O-CB 3.48Å; L637-I641 WeakPolarHBondContact O-CD1 3.2Å; L637-I641 WeakPolarHBondContact O-CG1 3.44Å; L637-I641 PolarHBondContact O-N 3.44Å; S639-I641 PolarHBondContact O-N 3.42Å; I641-R645 VanDerWaalsContact O-CB 3.32Å; I641-R645 WeakPolarHBondContact O-CB 3.44Å; I641-R645 PolarHBondContact O-N 3.07Å |
| 642 | S | 35.3 | Very low | 34.9 | Very low | 61 Ų | 61 | 122 Ų | 122 | 43% | 0.427 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71.4 | -38.6 | 174.8 | 75.6 | 0 | 0 | 0 | 0 | 112.7 | I638 S639 T640 R645 | I638-S642 VanDerWaalsContact O-CB 3.29Å; I638-S642 WeakPolarHBondContact O-CB 3.29Å; I638-S642 PolarHBondContact O-N 3.07Å; I638-S642 PolarHBondContact O-OG 3.25Å; S639-S642 WeakPolarHBondContact CA-OG 3.37Å; S639-S642 PolarHBondContact O-N 3.14Å; S639-S642 VanDerWaalsContact O-N 3.11Å; S639-S642 PolarHBondContact O-OG 3.38Å; T640-S642 VanDerWaalsContact C-N 3.34Å; S642-R645 VanDerWaalsContact O-CB 3.27Å; S642-R645 WeakPolarHBondContact O-CB 3.42Å; S642-R645 PolarHBondContact O-N 2.62Å; S642-R645 VanDerWaalsContact O-N 3.17Å |
| 643 | V | 39.4 | Very low | 36.2 | Very low | 99 Ų | 99 | 117.6 Ų | 117.6 | 60% | 0.6 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.2 | -38.1 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | S639 R645 N646 | S639-V643 WeakPolarHBondContact O-CG2 3.44Å; S639-V643 PolarHBondContact O-N 3.45Å; V643-R645 PolarHBondContact O-N 3.01Å; V643-N646 PolarHBondContact O-N 3.39Å |
| 644 | L | 38.9 | Very low | 38.3 | Very low | 85 Ų | 85 | 118 Ų | 118 | 45% | 0.445 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -71.7 | -16.4 | 171.1 | -70.8 | 170.1 | 0 | 0 | 0 | 113.2 | T640 N646 | T640-L644 HydrophobicContact CG2-CD1 4.38Å; T640-L644 VanDerWaalsContact O-CB 3.22Å; T640-L644 WeakPolarHBondContact O-CB 3.22Å; T640-L644 WeakPolarHBondContact O-CD1 3.17Å; T640-L644 WeakPolarHBondContact O-CG 3.42Å; T640-L644 PolarHBondContact O-N 3.31Å; L644-N646 VanDerWaalsContact C-N 3.33Å |
| 645 | R | 37.8 | Very low | 40.7 | Very low | 202 Ų | 202 | 114.3 Ų | 114.3 | 76% | 0.762 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73 | -26.3 | 177.3 | -137 | 171.9 | -167.3 | 157.8 | 2 | 112.5 | I641 S642 V643 | I641-R645 VanDerWaalsContact O-CB 3.32Å; I641-R645 WeakPolarHBondContact O-CB 3.44Å; I641-R645 PolarHBondContact O-N 3.07Å; S642-R645 VanDerWaalsContact O-CB 3.27Å; S642-R645 WeakPolarHBondContact O-CB 3.42Å; S642-R645 PolarHBondContact O-N 2.62Å; S642-R645 VanDerWaalsContact O-N 3.17Å; V643-R645 PolarHBondContact O-N 3.01Å |
| 646 | N | 34 | Very low | 43 | Very low | 148 Ų | 148 | 106.8 Ų | 106.8 | 79% | 0.791 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -90 | -10 | -175.9 | -81.3 | -9.4 | 0 | 0 | 0 | 114.8 | V643 L644 | V643-N646 PolarHBondContact O-N 3.39Å; L644-N646 VanDerWaalsContact C-N 3.33Å |
| 647 | Q | 39.2 | Very low | 45.5 | Very low | 167 Ų | 167 | 108.4 Ų | 108.4 | 78% | 0.78 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -107.6 | 0.4 | -175.7 | -79.1 | -170.6 | -8 | 0 | 0 | 117.2 | ||
| 648 | K | 38.1 | Very low | 47.9 | Very low | 114 Ų | 114 | 108.9 Ų | 108.9 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | trans | -125.2 | 74.7 | -176 | -70.2 | -173.4 | -176.7 | 179.1 | 0 | 114 | G650 E967 | K648-G650 VanDerWaalsContact C-N 3.28Å; K648-G650 PolarHBondContact O-N 3.14Å; K648-E967 IonicContact NZ-OE1 3.43Å; K648-E967 PolarHBondContact NZ-OE1 3.03Å | ||
| 649 | K | 33.7 | Very low | 50.2 | Low | 227 Ų | 227 | 102.5 Ų | 102.5 | 99% | 0.987 | 53% | 0.528 | S | S | * | . | trans | -82.3 | 25 | 167.5 | -91 | -175.2 | 175.7 | 177.1 | 0 | 114.6 | ||||
| 650 | G | 37 | Very low | 52.6 | Low | 66 Ų | 66 | 103.1 Ų | 103.1 | 68% | 0.68 | 53% | 0.526 | S | S | * | . | trans | -118.9 | -6.6 | -165.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | K648 | K648-G650 VanDerWaalsContact C-N 3.28Å; K648-G650 PolarHBondContact O-N 3.14Å | ||
| 651 | I | 43.3 | Very low | 55.1 | Low | 115 Ų | 115 | 106.3 Ų | 106.3 | 59% | 0.59 | 54% | 0.535 | S | S | * | . | trans | -102.5 | 97.6 | -169.5 | -51.5 | 176.1 | 0 | 0 | 0 | 111.3 | I653 | I651-I653 VanDerWaalsContact C-N 3.33Å; I651-I653 VanDerWaalsContact CG2-O 3.25Å; I651-I653 WeakPolarHBondContact CG2-O 3.31Å; I651-I653 PolarHBondContact O-N 3.37Å | ||
| 652 | K | 49.2 | Very low | 57.4 | Low | 214 Ų | 214 | 104.1 Ų | 104.1 | 93% | 0.93 | 53% | 0.525 | S | S | * | . | trans | -75.2 | -7.6 | 179.5 | -78.4 | -174.9 | 176.5 | -179.4 | 0 | 115.5 | ||||
| 653 | I | 57.2 | Low | 59.8 | Low | 94 Ų | 94 | 101.4 Ų | 101.4 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -127.3 | 134.4 | -175.7 | -57.9 | 170.4 | 0 | 0 | 0 | 109.2 | I651 L657 | I651-I653 VanDerWaalsContact C-N 3.33Å; I651-I653 VanDerWaalsContact CG2-O 3.25Å; I651-I653 WeakPolarHBondContact CG2-O 3.31Å; I651-I653 PolarHBondContact O-N 3.37Å; I653-L657 HydrophobicContact CG2-CB 4.02Å; I653-L657 HydrophobicContact CG2-CD2 3.89Å |
| 654 | S | 70.7 | Confident | 62.1 | Low | 61 Ų | 61 | 104.2 Ų | 104.2 | 43% | 0.427 | 51% | 0.505 | S | S | . | . | trans | -56.8 | 135.1 | 176.8 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | T656 L657 R658 | S654-T656 PolarHBondContact O-N 2.93Å; S654-T656 VanDerWaalsContact O-N 3.08Å; S654-L657 PolarHBondContact O-N 3.39Å; S654-L657 VanDerWaalsContact O-N 3.08Å; S654-L657 WeakPolarHBondContact OG-CB 3.36Å; S654-R658 PolarHBondContact O-N 3.07Å | ||
| 655 | P | 75.8 | Confident | 64.5 | Low | 41 Ų | 41 | 104.3 Ų | 104.3 | 27% | 0.266 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -49.1 | -37.6 | 179.6 | -32.3 | 36.7 | 0 | 0 | 0 | 113.7 | R658 I659 A962 L966 | P655-R658 PolarHBondContact O-N 3.32Å; P655-I659 PolarHBondContact O-N 2.98Å; P655-A962 HydrophobicContact CB-CB 4.26Å; P655-L966 HydrophobicContact CB-CD1 3.87Å; P655-L966 WeakPolarHBondContact O-CD1 3.37Å |
| 656 | T | 76.5 | Confident | 66.9 | Low | 45 Ų | 45 | 95.3 Ų | 95.3 | 28% | 0.276 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | -179.5 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | S654 R658 I659 L660 I787 | S654-T656 PolarHBondContact O-N 2.93Å; S654-T656 VanDerWaalsContact O-N 3.08Å; T656-R658 VanDerWaalsContact C-N 3.31Å; T656-R658 PolarHBondContact O-N 3.23Å; T656-I659 PolarHBondContact O-N 3.36Å; T656-L660 PolarHBondContact O-N 3.32Å; T656-I787 HydrophobicContact CG2-CD1 3.47Å; T656-I787 VanDerWaalsContact CG2-CD1 3.47Å |
| 657 | L | 80.5 | Confident | 69.5 | Low | 104 Ų | 104 | 93.1 Ų | 93.1 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 179.8 | -159.9 | 85.2 | 0 | 0 | 0 | 111.3 | I653 S654 L660 K661 | I653-L657 HydrophobicContact CG2-CB 4.02Å; I653-L657 HydrophobicContact CG2-CD2 3.89Å; S654-L657 PolarHBondContact O-N 3.39Å; S654-L657 VanDerWaalsContact O-N 3.08Å; S654-L657 WeakPolarHBondContact OG-CB 3.36Å; L657-L660 PolarHBondContact O-N 3.49Å; L657-K661 PolarHBondContact O-N 2.88Å |
| 658 | R | 83.2 | Confident | 72 | Confident | 112 Ų | 112 | 89 Ų | 89 | 42% | 0.423 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 176.9 | -175.9 | 174.3 | 179.4 | -179.7 | -1.2 | 112 | S654 P655 T656 K661 L966 D970 | S654-R658 PolarHBondContact O-N 3.07Å; P655-R658 PolarHBondContact O-N 3.32Å; T656-R658 VanDerWaalsContact C-N 3.31Å; T656-R658 PolarHBondContact O-N 3.23Å; R658-K661 VanDerWaalsContact O-CB 3.28Å; R658-K661 WeakPolarHBondContact O-CB 3.45Å; R658-K661 PolarHBondContact O-N 3.16Å; R658-L966 HydrophobicContact CB-CD1 4.16Å; R658-L966 HydrophobicContact CG-CD1 4.36Å; R658-L966 HydrophobicContact CG-CD2 4.03Å; R658-D970 IonicContact CZ-OD1 3.72Å; R658-D970 IonicContact CZ-OD2 3.83Å; R658-D970 VanDerWaalsContact CZ-OD2 3.31Å; R658-D970 VanDerWaalsContact NH1-CG 3.34Å; R658-D970 IonicContact NH1-OD1 3.19Å; R658-D970 PolarHBondContact NH1-OD1 3.41Å; R658-D970 IonicContact NH1-OD2 3.44Å; R658-D970 PolarHBondContact NH1-OD2 3.44Å; R658-D970 IonicContact NH2-OD1 3.97Å; R658-D970 PolarHBondContact NH2-OD1 3.19Å; R658-D970 IonicContact NH2-OD2 2.97Å; R658-D970 PolarHBondContact NH2-OD2 2.92Å |
| 659 | I | 82.3 | Confident | 74.5 | Confident | 6 Ų | 6 | 85.4 Ų | 85.4 | 3% | 0.031 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 174.4 | -68.4 | -163.5 | 0 | 0 | 0 | 111.5 | P655 T656 K661 L662 I747 V784 A962 I965 L966 | P655-I659 PolarHBondContact O-N 2.98Å; T656-I659 PolarHBondContact O-N 3.36Å; I659-K661 PolarHBondContact O-N 3.12Å; I659-L662 VanDerWaalsContact O-CB 3.24Å; I659-L662 WeakPolarHBondContact O-CB 3.38Å; I659-L662 PolarHBondContact O-N 3.16Å; I659-I747 HydrophobicContact CG2-CD1 3.99Å; I659-V784 HydrophobicContact CD1-CG1 4.36Å; I659-V784 HydrophobicContact CD1-CG2 4.03Å; I659-V784 HydrophobicContact CG2-CG1 3.46Å; I659-V784 VanDerWaalsContact CG2-CG1 3.46Å; I659-A962 HydrophobicContact CD1-CB 3.34Å; I659-A962 HydrophobicContact CG1-CB 4.16Å; I659-I965 HydrophobicContact CD1-CB 4.43Å; I659-I965 HydrophobicContact CD1-CG2 4.28Å; I659-L966 HydrophobicContact CD1-CG 4.33Å; I659-L966 HydrophobicContact CG1-CD1 4.16Å; I659-L966 HydrophobicContact CG1-CD2 4.25Å; I659-L966 HydrophobicContact CG1-CG 4.09Å |
| 660 | L | 80.7 | Confident | 77.2 | Confident | 70 Ų | 70 | 76 Ų | 76 | 37% | 0.366 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.9 | -31.8 | 175.6 | -167.2 | 68.5 | 0 | 0 | 0 | 111.7 | T656 L657 L662 N663 | T656-L660 PolarHBondContact O-N 3.32Å; L657-L660 PolarHBondContact O-N 3.49Å; L660-L662 PolarHBondContact O-N 3.03Å; L660-N663 VanDerWaalsContact O-CB 3.27Å; L660-N663 WeakPolarHBondContact O-CB 3.09Å; L660-N663 PolarHBondContact O-N 3.24Å |
| 661 | K | 86.3 | Confident | 79.8 | Confident | 116 Ų | 116 | 76.4 Ų | 76.4 | 50% | 0.504 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -61.7 | -23.8 | 173.4 | -160.5 | -180 | 175.1 | 178.6 | 0 | 113.3 | L657 R658 I659 N663 R664 | L657-K661 PolarHBondContact O-N 2.88Å; R658-K661 VanDerWaalsContact O-CB 3.28Å; R658-K661 WeakPolarHBondContact O-CB 3.45Å; R658-K661 PolarHBondContact O-N 3.16Å; I659-K661 PolarHBondContact O-N 3.12Å; K661-N663 PolarHBondContact O-N 3.11Å; K661-R664 HydrophobicContact CG-CG 4.33Å; K661-R664 WeakPolarHBondContact O-CB 3.5Å; K661-R664 VanDerWaalsContact O-CG 3.25Å; K661-R664 WeakPolarHBondContact O-CG 3.18Å; K661-R664 PolarHBondContact O-N 3.08Å |
| 662 | L | 86.1 | Confident | 82.2 | Confident | 40 Ų | 40 | 74.7 Ų | 74.7 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -70.5 | -14.9 | 173.9 | -64.9 | 170.5 | 0 | 0 | 0 | 113 | I659 L660 R664 L743 R746 I747 | I659-L662 VanDerWaalsContact O-CB 3.24Å; I659-L662 WeakPolarHBondContact O-CB 3.38Å; I659-L662 PolarHBondContact O-N 3.16Å; L660-L662 PolarHBondContact O-N 3.03Å; L662-R664 VanDerWaalsContact C-N 3.34Å; L662-L743 HydrophobicContact CB-CD1 4.12Å; L662-R746 PolarHBondContact O-NH1 3.38Å; L662-I747 HydrophobicContact CD1-CG1 4.41Å |
| 663 | N | 85.8 | Confident | 84.3 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -92 | 8.5 | 177.5 | -152.5 | 17.7 | 0 | 0 | 0 | 112.8 | L660 K661 P665 E666 I670 S739 L743 S788 | L660-N663 VanDerWaalsContact O-CB 3.27Å; L660-N663 WeakPolarHBondContact O-CB 3.09Å; L660-N663 PolarHBondContact O-N 3.24Å; K661-N663 PolarHBondContact O-N 3.11Å; N663-P665 VanDerWaalsContact C-CD 3.47Å; N663-E666 PolarHBondContact O-N 3.44Å; N663-E666 PolarHBondContact OD1-OE2 3.45Å; N663-I670 HydrophobicContact CB-CD1 4.29Å; N663-I670 VanDerWaalsContact ND2-CD1 3.29Å; N663-I670 WeakPolarHBondContact ND2-CD1 3.33Å; N663-S739 PolarHBondContact ND2-OG 2.97Å; N663-S739 PolarHBondContact OD1-OG 3.37Å; N663-L743 HydrophobicContact CB-CD1 4.12Å; N663-L743 HydrophobicContact CB-CD2 4.27Å; N663-S788 PolarHBondContact ND2-OG 3.47Å |
| 664 | R | 86.8 | Confident | 86 | Confident | 159 Ų | 159 | 61.7 Ų | 61.7 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -56.4 | -40.6 | 178.8 | -85.9 | -178.3 | 174.2 | -164.5 | -2.6 | 114.6 | K661 L662 E666 L667 | K661-R664 HydrophobicContact CG-CG 4.33Å; K661-R664 WeakPolarHBondContact O-CB 3.5Å; K661-R664 VanDerWaalsContact O-CG 3.25Å; K661-R664 WeakPolarHBondContact O-CG 3.18Å; K661-R664 PolarHBondContact O-N 3.08Å; L662-R664 VanDerWaalsContact C-N 3.34Å; R664-E666 PolarHBondContact O-N 3.26Å; R664-L667 VanDerWaalsContact O-CB 3.23Å; R664-L667 WeakPolarHBondContact O-CB 3.42Å; R664-L667 PolarHBondContact O-N 3.48Å; R664-L667 VanDerWaalsContact O-N 3.12Å |
| 665 | P | 89.6 | Confident | 87.1 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 56% | 0.558 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -61.1 | -25.2 | 179.5 | -23.9 | 34.3 | 0 | 0 | 0 | 113.5 | N663 | N663-P665 VanDerWaalsContact C-CD 3.47Š|
| 666 | E | 89.7 | Confident | 87.9 | Confident | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.065 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -94.7 | 8.4 | -179 | -61.9 | 66.9 | -150.7 | 0 | 0 | 112.5 | N663 R664 P668 L669 I670 I742 R746 | N663-E666 PolarHBondContact O-N 3.44Å; N663-E666 PolarHBondContact OD1-OE2 3.45Å; R664-E666 PolarHBondContact O-N 3.26Å; E666-P668 VanDerWaalsContact C-N 3.32Å; E666-L669 HydrophobicContact CB-CD1 4.42Å; E666-L669 WeakPolarHBondContact O-CA 3.46Å; E666-L669 WeakPolarHBondContact O-CB 3.22Å; E666-L669 PolarHBondContact O-N 2.84Å; E666-I670 WeakPolarHBondContact O-CG1 3.46Å; E666-I670 PolarHBondContact O-N 3.04Å; E666-I742 HydrophobicContact CG-CD1 4.3Å; E666-I742 HydrophobicContact CG-CG2 4.31Å; E666-I742 WeakPolarHBondContact OE1-CG2 3.48Å; E666-R746 VanDerWaalsContact CD-NH1 3.34Å; E666-R746 IonicContact OE1-CZ 3.84Å; E666-R746 VanDerWaalsContact OE1-CZ 3.28Å; E666-R746 IonicContact OE1-NH1 3.31Å; E666-R746 PolarHBondContact OE1-NH1 2.9Å; E666-R746 VanDerWaalsContact OE1-NH1 3.12Å; E666-R746 IonicContact OE1-NH2 3.97Å; E666-R746 PolarHBondContact OE1-NH2 3.13Å; E666-R746 IonicContact OE2-CZ 3.2Å; E666-R746 IonicContact OE2-NH1 2.91Å; E666-R746 PolarHBondContact OE2-NH1 3.48Å; E666-R746 IonicContact OE2-NH2 2.78Å |
| 667 | L | 88.4 | Confident | 88.6 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 53% | 0.529 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -47.9 | -42.1 | 177.3 | -164 | 119.6 | 0 | 0 | 0 | 114.4 | R664 L669 I670 V671 | R664-L667 VanDerWaalsContact O-CB 3.23Å; R664-L667 WeakPolarHBondContact O-CB 3.42Å; R664-L667 PolarHBondContact O-N 3.48Å; R664-L667 VanDerWaalsContact O-N 3.12Å; L667-L669 VanDerWaalsContact C-N 3.32Å; L667-L669 PolarHBondContact O-N 3.03Å; L667-I670 PolarHBondContact O-N 3.18Å; L667-V671 HydrophobicContact CD2-CG2 4.18Å; L667-V671 HydrophobicContact CG-CG2 4.32Å; L667-V671 VanDerWaalsContact O-CG2 3.27Å; L667-V671 WeakPolarHBondContact O-CG2 3.45Å; L667-V671 PolarHBondContact O-N 3.48Å |
| 668 | P | 90.9 | Very high | 89.2 | Confident | 82 Ų | 82 | 58 Ų | 58 | 53% | 0.532 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 176.7 | 23.7 | -34.5 | 0 | 0 | 0 | 112.8 | E666 V671 L672 | E666-P668 VanDerWaalsContact C-N 3.32Å; P668-V671 PolarHBondContact O-N 2.92Å; P668-L672 WeakPolarHBondContact O-CB 3.13Å; P668-L672 VanDerWaalsContact O-CG 3.32Å; P668-L672 WeakPolarHBondContact O-CG 3.44Å; P668-L672 PolarHBondContact O-N 3Å |
| 669 | L | 91.3 | Very high | 89.6 | Confident | 38 Ų | 38 | 55.4 Ų | 55.4 | 20% | 0.199 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 175.5 | -65.1 | 168.5 | 0 | 0 | 0 | 110.6 | E666 L667 L672 G673 F735 K738 | E666-L669 HydrophobicContact CB-CD1 4.42Å; E666-L669 WeakPolarHBondContact O-CA 3.46Å; E666-L669 WeakPolarHBondContact O-CB 3.22Å; E666-L669 PolarHBondContact O-N 2.84Å; L667-L669 VanDerWaalsContact C-N 3.32Å; L667-L669 PolarHBondContact O-N 3.03Å; L669-L672 PolarHBondContact O-N 2.92Å; L669-G673 PolarHBondContact O-N 2.86Å; L669-F735 HydrophobicContact CD2-CD1 3.84Å; L669-F735 HydrophobicContact CD2-CE1 4.39Å; L669-F735 WeakPolarHBondContact O-CB 3.18Å; L669-K738 HydrophobicContact CD1-CD 4.16Å; L669-K738 HydrophobicContact CD1-CG 4.27Å |
| 670 | I | 89.9 | Confident | 90 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 178 | -62.3 | 166.8 | 0 | 0 | 0 | 110.4 | N663 E666 L667 G673 C674 F736 | N663-I670 HydrophobicContact CB-CD1 4.29Å; N663-I670 VanDerWaalsContact ND2-CD1 3.29Å; N663-I670 WeakPolarHBondContact ND2-CD1 3.33Å; E666-I670 WeakPolarHBondContact O-CG1 3.46Å; E666-I670 PolarHBondContact O-N 3.04Å; L667-I670 PolarHBondContact O-N 3.18Å; I670-G673 CarbonylContact O-C 3.57Å; I670-G673 PolarHBondContact O-N 2.89Å; I670-C674 PolarHBondContact O-N 2.8Å; I670-C674 PolarHBondContact O-SG 2.93Å; I670-F736 HydrophobicContact CG2-CE1 4.14Å |
| 671 | V | 92.5 | Very high | 90.4 | Very high | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | L667 P668 G673 C674 I675 | L667-V671 HydrophobicContact CD2-CG2 4.18Å; L667-V671 HydrophobicContact CG-CG2 4.32Å; L667-V671 VanDerWaalsContact O-CG2 3.27Å; L667-V671 WeakPolarHBondContact O-CG2 3.45Å; L667-V671 PolarHBondContact O-N 3.48Å; P668-V671 PolarHBondContact O-N 2.92Å; V671-G673 VanDerWaalsContact C-N 3.32Å; V671-G673 PolarHBondContact O-N 2.86Å; V671-C674 WeakPolarHBondContact O-CB 3.36Å; V671-C674 PolarHBondContact O-N 2.86Å; V671-I675 HydrophobicContact CG1-CD1 4.26Å; V671-I675 WeakPolarHBondContact O-CG1 3.34Å; V671-I675 PolarHBondContact O-N 3.48Å |
| 672 | L | 93.3 | Very high | 90.6 | Very high | 79 Ų | 79 | 48.3 Ų | 48.3 | 41% | 0.414 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 174.4 | -72.5 | 168.3 | 0 | 0 | 0 | 111.7 | P668 L669 C674 I675 C676 F735 | P668-L672 WeakPolarHBondContact O-CB 3.13Å; P668-L672 VanDerWaalsContact O-CG 3.32Å; P668-L672 WeakPolarHBondContact O-CG 3.44Å; P668-L672 PolarHBondContact O-N 3Å; L669-L672 PolarHBondContact O-N 2.92Å; L672-C674 PolarHBondContact O-N 3.45Å; L672-I675 PolarHBondContact O-N 3.49Å; L672-C676 PolarHBondContact O-N 2.94Å; L672-C676 PolarHBondContact O-SG 3.02Å; L672-C676 VanDerWaalsContact O-SG 3.34Å; L672-F735 HydrophobicContact CB-CD1 4.33Å; L672-F735 HydrophobicContact CB-CD2 3.83Å; L672-F735 HydrophobicContact CB-CE1 4.28Å; L672-F735 HydrophobicContact CB-CE2 3.77Å; L672-F735 HydrophobicContact CB-CG 4.14Å; L672-F735 HydrophobicContact CB-CZ 4.01Å; L672-F735 HydrophobicContact CD1-CE1 4.08Å; L672-F735 HydrophobicContact CD1-CZ 4.14Å |
| 673 | G | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L669 I670 V671 I675 C676 C677 F736 | L669-G673 PolarHBondContact O-N 2.86Å; I670-G673 CarbonylContact O-C 3.57Å; I670-G673 PolarHBondContact O-N 2.89Å; V671-G673 VanDerWaalsContact C-N 3.32Å; V671-G673 PolarHBondContact O-N 2.86Å; G673-I675 VanDerWaalsContact C-N 3.33Å; G673-I675 PolarHBondContact O-N 3.45Å; G673-C676 WeakPolarHBondContact O-CB 3.36Å; G673-C676 PolarHBondContact O-N 3.34Å; G673-C676 VanDerWaalsContact O-N 3.17Å; G673-C677 PolarHBondContact O-N 3.24Å; G673-C677 PolarHBondContact O-SG 2.98Å; G673-F736 WeakPolarHBondContact O-CE2 3.41Å |
| 674 | C | 92.3 | Very high | 90.8 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 24% | 0.236 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 178.6 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | I670 V671 L672 C677 V678 I796 | I670-C674 PolarHBondContact O-N 2.8Å; I670-C674 PolarHBondContact O-SG 2.93Å; V671-C674 WeakPolarHBondContact O-CB 3.36Å; V671-C674 PolarHBondContact O-N 2.86Å; L672-C674 PolarHBondContact O-N 3.45Å; C674-C677 WeakPolarHBondContact O-CB 3.39Å; C674-C677 PolarHBondContact O-N 2.9Å; C674-V678 WeakPolarHBondContact O-CG2 3.5Å; C674-V678 PolarHBondContact O-N 3.31Å; C674-I796 HydrophobicContact CB-CD1 4.46Å; C674-I796 VanDerWaalsContact SG-CD1 3.55Å |
| 675 | I | 93.7 | Very high | 90.9 | Very high | 91 Ų | 91 | 40.8 Ų | 40.8 | 47% | 0.467 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 175.6 | -65.3 | 165.4 | 0 | 0 | 0 | 110 | V671 L672 G673 C677 V678 I679 | V671-I675 HydrophobicContact CG1-CD1 4.26Å; V671-I675 WeakPolarHBondContact O-CG1 3.34Å; V671-I675 PolarHBondContact O-N 3.48Å; L672-I675 PolarHBondContact O-N 3.49Å; G673-I675 VanDerWaalsContact C-N 3.33Å; G673-I675 PolarHBondContact O-N 3.45Å; I675-C677 VanDerWaalsContact C-N 3.35Å; I675-C677 PolarHBondContact O-N 3.5Å; I675-V678 PolarHBondContact O-N 3.49Å; I675-I679 HydrophobicContact CG2-CD1 4Å; I675-I679 WeakPolarHBondContact O-CG1 3.41Å; I675-I679 PolarHBondContact O-N 3.33Å |
| 676 | C | 93.1 | Very high | 91 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 176 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | L672 G673 I679 S680 S731 Q732 | L672-C676 PolarHBondContact O-N 2.94Å; L672-C676 PolarHBondContact O-SG 3.02Å; L672-C676 VanDerWaalsContact O-SG 3.34Å; G673-C676 WeakPolarHBondContact O-CB 3.36Å; G673-C676 PolarHBondContact O-N 3.34Å; G673-C676 VanDerWaalsContact O-N 3.17Å; C676-I679 PolarHBondContact O-N 3.5Å; C676-S680 WeakPolarHBondContact O-CB 3.32Å; C676-S680 PolarHBondContact O-N 3.1Å; C676-S731 VanDerWaalsContact SG-CB 3.51Å; C676-Q732 HydrophobicContact CB-CB 3.8Å |
| 677 | C | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 174.6 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | G673 C674 I675 S680 G681 Q732 F736 G793 I796 | G673-C677 PolarHBondContact O-N 3.24Å; G673-C677 PolarHBondContact O-SG 2.98Å; C674-C677 WeakPolarHBondContact O-CB 3.39Å; C674-C677 PolarHBondContact O-N 2.9Å; I675-C677 VanDerWaalsContact C-N 3.35Å; I675-C677 PolarHBondContact O-N 3.5Å; C677-S680 PolarHBondContact O-N 3.33Å; C677-G681 PolarHBondContact O-N 3.46Å; C677-Q732 PolarHBondContact SG-OE1 3.43Å; C677-F736 WeakPolarHBondContact SG-CE2 3.44Å; C677-G793 WeakPolarHBondContact SG-CA 3.17Å; C677-G793 PolarHBondContact SG-O 3.09Å; C677-I796 HydrophobicContact CB-CB 4.17Å; C677-I796 HydrophobicContact CB-CG2 3.8Å |
| 678 | V | 92.9 | Very high | 90.9 | Very high | 65 Ų | 65 | 33.7 Ų | 33.7 | 39% | 0.394 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 110 | C674 I675 S680 G681 T682 I796 A800 | C674-V678 WeakPolarHBondContact O-CG2 3.5Å; C674-V678 PolarHBondContact O-N 3.31Å; I675-V678 PolarHBondContact O-N 3.49Å; V678-S680 PolarHBondContact O-N 3.18Å; V678-G681 PolarHBondContact O-N 3.44Å; V678-T682 HydrophobicContact CG1-CG2 4.32Å; V678-T682 WeakPolarHBondContact O-CG2 3.29Å; V678-T682 PolarHBondContact O-N 2.95Å; V678-T682 PolarHBondContact O-OG1 3.14Å; V678-I796 HydrophobicContact CG2-CG2 4.31Å; V678-A800 HydrophobicContact CG2-CB 4.32Å |
| 679 | I | 92.7 | Very high | 90.9 | Very high | 59 Ų | 59 | 31.9 Ų | 31.9 | 30% | 0.303 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.2 | -49 | 174.2 | -65.5 | 166.9 | 0 | 0 | 0 | 110.1 | I675 C676 G681 T682 T683 L724 A728 | I675-I679 HydrophobicContact CG2-CD1 4Å; I675-I679 WeakPolarHBondContact O-CG1 3.41Å; I675-I679 PolarHBondContact O-N 3.33Å; C676-I679 PolarHBondContact O-N 3.5Å; I679-G681 PolarHBondContact O-N 2.93Å; I679-T682 PolarHBondContact O-N 3Å; I679-T682 PolarHBondContact O-OG1 3.16Å; I679-T683 WeakPolarHBondContact O-CG2 3.36Å; I679-T683 PolarHBondContact O-N 2.87Å; I679-L724 HydrophobicContact CG2-CD1 3.9Å; I679-L724 HydrophobicContact CG2-CD2 4Å; I679-L724 HydrophobicContact CG2-CG 3.8Å; I679-A728 HydrophobicContact CB-CB 4.42Å; I679-A728 HydrophobicContact CG2-CB 4.01Å |
| 680 | S | 89.6 | Confident | 90.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.9 | -48.6 | 176.5 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | C676 C677 V678 T682 T683 E797 | C676-S680 WeakPolarHBondContact O-CB 3.32Å; C676-S680 PolarHBondContact O-N 3.1Å; C677-S680 PolarHBondContact O-N 3.33Å; V678-S680 PolarHBondContact O-N 3.18Å; S680-T682 VanDerWaalsContact C-N 3.29Å; S680-T682 PolarHBondContact O-N 3.45Å; S680-T683 WeakPolarHBondContact O-CB 3.41Å; S680-T683 PolarHBondContact O-N 3.32Å; S680-T683 PolarHBondContact O-OG1 2.97Å; S680-E797 PolarHBondContact OG-OE1 2.88Å; S680-E797 PolarHBondContact OG-OE2 3.26Å |
| 681 | G | 89 | Confident | 90.8 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -30.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | C677 V678 I679 T683 P685 | C677-G681 PolarHBondContact O-N 3.46Å; V678-G681 PolarHBondContact O-N 3.44Å; I679-G681 PolarHBondContact O-N 2.93Å; G681-T683 VanDerWaalsContact C-N 3.33Å; G681-P685 WeakPolarHBondContact O-CD 3.49Å |
| 682 | T | 90.9 | Very high | 90.6 | Very high | 40 Ų | 40 | 26.8 Ų | 26.8 | 25% | 0.245 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74.9 | -19.6 | 175.2 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | V678 I679 S680 Q684 P685 A686 M804 | V678-T682 HydrophobicContact CG1-CG2 4.32Å; V678-T682 WeakPolarHBondContact O-CG2 3.29Å; V678-T682 PolarHBondContact O-N 2.95Å; V678-T682 PolarHBondContact O-OG1 3.14Å; I679-T682 PolarHBondContact O-N 3Å; I679-T682 PolarHBondContact O-OG1 3.16Å; S680-T682 VanDerWaalsContact C-N 3.29Å; S680-T682 PolarHBondContact O-N 3.45Å; T682-Q684 VanDerWaalsContact C-N 3.31Å; T682-Q684 PolarHBondContact O-N 3.23Å; T682-P685 WeakPolarHBondContact O-CD 3.33Å; T682-A686 VanDerWaalsContact O-CB 3.26Å; T682-A686 WeakPolarHBondContact O-CB 3.49Å; T682-A686 PolarHBondContact O-N 3.31Å; T682-A686 VanDerWaalsContact O-N 3.09Å; T682-M804 HydrophobicContact CG2-CG 3.78Å; T682-M804 HydrophobicContact CG2-SD 4.43Å |
| 683 | T | 89.4 | Confident | 90.4 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.8 | -30.3 | -177.1 | 66 | 0 | 0 | 0 | 0 | 113.3 | I679 S680 G681 F687 I721 R725 | I679-T683 WeakPolarHBondContact O-CG2 3.36Å; I679-T683 PolarHBondContact O-N 2.87Å; S680-T683 WeakPolarHBondContact O-CB 3.41Å; S680-T683 PolarHBondContact O-N 3.32Å; S680-T683 PolarHBondContact O-OG1 2.97Å; G681-T683 VanDerWaalsContact C-N 3.33Å; T683-F687 VanDerWaalsContact O-CB 3.32Å; T683-F687 WeakPolarHBondContact O-CB 3.41Å; T683-F687 PolarHBondContact O-N 3.23Å; T683-I721 HydrophobicContact CG2-CG2 4.26Å; T683-R725 HydrophobicContact CG2-CB 3.95Å; T683-R725 HydrophobicContact CG2-CG 4.29Å |
| 684 | Q | 86.2 | Confident | 90.1 | Very high | 37 Ų | 37 | 25.7 Ų | 25.7 | 17% | 0.173 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -78.6 | -41 | -177.8 | -176.5 | 169.2 | 0.7 | 0 | 0 | 113.4 | T682 A686 F687 A688 L801 L940 | T682-Q684 VanDerWaalsContact C-N 3.31Å; T682-Q684 PolarHBondContact O-N 3.23Å; Q684-A686 VanDerWaalsContact C-N 3.35Å; Q684-F687 WeakPolarHBondContact O-CB 3.36Å; Q684-F687 PolarHBondContact O-N 3.33Å; Q684-A688 PolarHBondContact O-N 3.03Å; Q684-L801 HydrophobicContact CB-CD1 3.88Å; Q684-L801 HydrophobicContact CG-CD1 4.09Å; Q684-L940 HydrophobicContact CG-CB 4.25Å; Q684-L940 HydrophobicContact CG-CD1 4.2Å |
| 685 | P | 90.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 166.7 | -24.9 | 36 | 0 | 0 | 0 | 112.3 | G681 T682 F687 A688 I689 L801 M804 S805 T937 | G681-P685 WeakPolarHBondContact O-CD 3.49Å; T682-P685 WeakPolarHBondContact O-CD 3.33Å; P685-F687 VanDerWaalsContact C-N 3.31Å; P685-F687 PolarHBondContact O-N 3.45Å; P685-A688 WeakPolarHBondContact O-CB 3.33Å; P685-A688 PolarHBondContact O-N 3.43Å; P685-A688 VanDerWaalsContact O-N 3.14Å; P685-I689 WeakPolarHBondContact O-CG1 3.42Å; P685-I689 PolarHBondContact O-N 3.22Å; P685-L801 HydrophobicContact CG-CD1 3.72Å; P685-M804 HydrophobicContact CB-CB 4.38Å; P685-M804 HydrophobicContact CG-CB 3.97Å; P685-S805 WeakPolarHBondContact CG-OG 3.42Å; P685-T937 HydrophobicContact CB-CG2 4.43Å |
| 686 | A | 91.4 | Very high | 89.2 | Confident | 32 Ų | 32 | 22 Ų | 22 | 26% | 0.264 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.1 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T682 Q684 I689 L690 I721 | T682-A686 VanDerWaalsContact O-CB 3.26Å; T682-A686 WeakPolarHBondContact O-CB 3.49Å; T682-A686 PolarHBondContact O-N 3.31Å; T682-A686 VanDerWaalsContact O-N 3.09Å; Q684-A686 VanDerWaalsContact C-N 3.35Å; A686-I689 PolarHBondContact O-N 3.22Å; A686-L690 WeakPolarHBondContact O-CG 3.35Å; A686-L690 PolarHBondContact O-N 3.45Å; A686-I721 HydrophobicContact CB-CD1 3.65Å |
| 687 | F | 88.1 | Confident | 88.8 | Confident | 20 Ų | 20 | 21.2 Ų | 21.2 | 9% | 0.088 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 169.9 | 179.8 | -111.8 | 0 | 0 | 0 | 112.3 | F256 T259 F284 T683 Q684 P685 I689 L690 Y691 | F256-F687 AromaticContact CD1-CD2 3.57Å; F256-F687 HydrophobicContact CD1-CD2 3.57Å; F256-F687 AromaticContact CD1-CE2 3.96Å; F256-F687 HydrophobicContact CD1-CE2 3.96Å; F256-F687 HydrophobicContact CD1-CG 4.37Å; F256-F687 HydrophobicContact CE1-CB 3.65Å; F256-F687 AromaticContact CE1-CD2 3.22Å; F256-F687 HydrophobicContact CE1-CD2 3.22Å; F256-F687 HydrophobicContact CE1-CE2 4.01Å; F256-F687 AromaticContact CE1-CG 3.6Å; F256-F687 HydrophobicContact CE1-CG 3.6Å; F256-F687 HydrophobicContact CZ-CB 4.12Å; F256-F687 HydrophobicContact CZ-CD2 4.24Å; F256-F687 HydrophobicContact CZ-CG 4.25Å; T259-F687 HydrophobicContact CG2-CE2 3.88Å; T259-F687 HydrophobicContact CG2-CZ 3.97Å; F284-F687 HydrophobicContact CZ-CZ 4.06Å; T683-F687 VanDerWaalsContact O-CB 3.32Å; T683-F687 WeakPolarHBondContact O-CB 3.41Å; T683-F687 PolarHBondContact O-N 3.23Å; Q684-F687 WeakPolarHBondContact O-CB 3.36Å; Q684-F687 PolarHBondContact O-N 3.33Å; P685-F687 VanDerWaalsContact C-N 3.31Å; P685-F687 PolarHBondContact O-N 3.45Å; F687-I689 VanDerWaalsContact C-N 3.28Å; F687-I689 PolarHBondContact O-N 3.21Å; F687-L690 PolarHBondContact O-N 3.24Å; F687-Y691 WeakPolarHBondContact O-CB 3.27Å; F687-Y691 PolarHBondContact O-N 3.02Å |
| 688 | A | 87.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.7 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q684 P685 Y691 T692 V936 L940 | Q684-A688 PolarHBondContact O-N 3.03Å; P685-A688 WeakPolarHBondContact O-CB 3.33Å; P685-A688 PolarHBondContact O-N 3.43Å; P685-A688 VanDerWaalsContact O-N 3.14Å; A688-Y691 PolarHBondContact O-N 3.1Å; A688-T692 WeakPolarHBondContact O-CB 3.39Å; A688-T692 WeakPolarHBondContact O-CG2 3.26Å; A688-T692 PolarHBondContact O-N 3.39Å; A688-T692 PolarHBondContact O-OG1 3.44Å; A688-T692 VanDerWaalsContact O-OG1 3.11Å; A688-V936 HydrophobicContact CB-CG1 3.86Å; A688-L940 HydrophobicContact CB-CD1 4.26Å |
| 689 | I | 91 | Very high | 87.6 | Confident | 44 Ų | 44 | 22.8 Ų | 22.8 | 23% | 0.226 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.7 | -53.9 | 175.3 | -64.5 | 166.4 | 0 | 0 | 0 | 110.5 | P685 A686 F687 Y691 T692 E693 V808 | P685-I689 WeakPolarHBondContact O-CG1 3.42Å; P685-I689 PolarHBondContact O-N 3.22Å; A686-I689 PolarHBondContact O-N 3.22Å; F687-I689 VanDerWaalsContact C-N 3.28Å; F687-I689 PolarHBondContact O-N 3.21Å; I689-Y691 VanDerWaalsContact C-N 3.33Å; I689-Y691 PolarHBondContact O-N 3.34Å; I689-T692 PolarHBondContact O-N 2.98Å; I689-T692 VanDerWaalsContact O-N 3.11Å; I689-T692 PolarHBondContact O-OG1 3.17Å; I689-E693 PolarHBondContact O-N 3.29Å; I689-V808 HydrophobicContact CD1-CG1 3.99Å; I689-V808 HydrophobicContact CD1-CG2 3.97Å; I689-V808 HydrophobicContact CG1-CG1 4.01Å |
| 690 | L | 91 | Very high | 87 | Confident | 19 Ų | 19 | 21.7 Ų | 21.7 | 10% | 0.099 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | -179.6 | -66.4 | -175.2 | 0 | 0 | 0 | 112.8 | A686 F687 T692 E693 V714 M717 M718 I721 | A686-L690 WeakPolarHBondContact O-CG 3.35Å; A686-L690 PolarHBondContact O-N 3.45Å; F687-L690 PolarHBondContact O-N 3.24Å; L690-T692 VanDerWaalsContact C-N 3.31Å; L690-T692 PolarHBondContact O-N 3.2Å; L690-E693 WeakPolarHBondContact O-CB 3.44Å; L690-E693 PolarHBondContact O-N 2.9Å; L690-V714 HydrophobicContact CB-CG1 4.26Å; L690-V714 HydrophobicContact CD2-CG1 4.29Å; L690-M717 HydrophobicContact CD1-CB 3.72Å; L690-M717 HydrophobicContact CD2-CB 3.98Å; L690-M717 HydrophobicContact CD2-SD 4.03Å; L690-M718 VanDerWaalsContact C-CE 3.43Å; L690-M718 HydrophobicContact CB-CE 3.78Å; L690-M718 HydrophobicContact CB-CG 3.94Å; L690-M718 HydrophobicContact CD1-CB 4.33Å; L690-M718 HydrophobicContact CD1-CG 3.69Å; L690-M718 HydrophobicContact CG-CG 4.5Å; L690-M718 WeakPolarHBondContact O-CE 3.45Å; L690-I721 HydrophobicContact CD1-CD1 3.39Å; L690-I721 HydrophobicContact CD1-CG1 4.27Å; L690-I721 HydrophobicContact CG-CD1 4.17Å |
| 691 | Y | 87.6 | Confident | 86.2 | Confident | 14 Ų | 14 | 27.4 Ų | 27.4 | 6% | 0.055 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 174.8 | 167.4 | -108 | 0 | 0 | 0 | 110.5 | F263 F284 F687 A688 I689 E693 M694 Y695 V936 | F263-Y691 AromaticContact CE2-CD2 3.86Å; F263-Y691 HydrophobicContact CE2-CD2 3.86Å; F263-Y691 HydrophobicContact CE2-CE2 4.17Å; F263-Y691 AromaticContact CZ-CD2 3.77Å; F263-Y691 HydrophobicContact CZ-CD2 3.77Å; F263-Y691 AromaticContact CZ-CE2 3.68Å; F263-Y691 HydrophobicContact CZ-CE2 3.68Å; F284-Y691 HydrophobicContact CD1-CD2 4.29Å; F284-Y691 AromaticContact CD1-CE2 3.48Å; F284-Y691 HydrophobicContact CD1-CE2 3.48Å; F284-Y691 VanDerWaalsContact CD1-CE2 3.48Å; F284-Y691 AromaticContact CE1-CD2 3.69Å; F284-Y691 HydrophobicContact CE1-CD2 3.69Å; F284-Y691 AromaticContact CE1-CE2 3.17Å; F284-Y691 HydrophobicContact CE1-CE2 3.17Å; F284-Y691 AromaticContact CE1-CZ 3.88Å; F284-Y691 HydrophobicContact CZ-CD2 4.2Å; F284-Y691 HydrophobicContact CZ-CE2 4.11Å; F687-Y691 WeakPolarHBondContact O-CB 3.27Å; F687-Y691 PolarHBondContact O-N 3.02Å; A688-Y691 PolarHBondContact O-N 3.1Å; I689-Y691 VanDerWaalsContact C-N 3.33Å; I689-Y691 PolarHBondContact O-N 3.34Å; Y691-E693 VanDerWaalsContact C-N 3.31Å; Y691-E693 PolarHBondContact O-N 3.42Å; Y691-M694 VanDerWaalsContact O-CB 3.25Å; Y691-M694 WeakPolarHBondContact O-CB 3.32Å; Y691-M694 WeakPolarHBondContact O-CG 3.45Å; Y691-M694 PolarHBondContact O-N 3.27Å; Y691-Y695 HydrophobicContact CE1-CE2 4.01Å; Y691-Y695 PolarHBondContact OH-OH 2.91Å; Y691-V936 HydrophobicContact CD1-CG1 3.93Å; Y691-V936 HydrophobicContact CD1-CG2 4.1Å; Y691-V936 HydrophobicContact CE1-CG1 4.22Å; Y691-V936 HydrophobicContact CE1-CG2 3.76Å |
| 692 | T | 88.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.5 | -24 | 179.5 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | A688 I689 L690 M694 Y695 F932 R933 V936 | A688-T692 WeakPolarHBondContact O-CB 3.39Å; A688-T692 WeakPolarHBondContact O-CG2 3.26Å; A688-T692 PolarHBondContact O-N 3.39Å; A688-T692 PolarHBondContact O-OG1 3.44Å; A688-T692 VanDerWaalsContact O-OG1 3.11Å; I689-T692 PolarHBondContact O-N 2.98Å; I689-T692 VanDerWaalsContact O-N 3.11Å; I689-T692 PolarHBondContact O-OG1 3.17Å; L690-T692 VanDerWaalsContact C-N 3.31Å; L690-T692 PolarHBondContact O-N 3.2Å; T692-M694 PolarHBondContact O-N 2.89Å; T692-Y695 WeakPolarHBondContact O-CB 3.5Å; T692-Y695 WeakPolarHBondContact O-CD2 3.19Å; T692-Y695 PolarHBondContact O-N 2.77Å; T692-F932 HydrophobicContact CG2-CB 4.23Å; T692-R933 HydrophobicContact CG2-CB 4.38Å; T692-R933 HydrophobicContact CG2-CG 3.89Å; T692-R933 WeakPolarHBondContact OG1-CG 3.36Å; T692-R933 PolarHBondContact OG1-NE 3.4Å; T692-V936 HydrophobicContact CG2-CB 4.33Å; T692-V936 HydrophobicContact CG2-CG2 4.24Å |
| 693 | E | 89 | Confident | 85.1 | Confident | 55 Ų | 55 | 34.7 Ų | 34.7 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.5 | -30.9 | 172.6 | -141.5 | 68.1 | -150.8 | 0 | 0 | 111.4 | I689 L690 Y691 Y695 S696 I697 V714 R933 | I689-E693 PolarHBondContact O-N 3.29Å; L690-E693 WeakPolarHBondContact O-CB 3.44Å; L690-E693 PolarHBondContact O-N 2.9Å; Y691-E693 VanDerWaalsContact C-N 3.31Å; Y691-E693 PolarHBondContact O-N 3.42Å; E693-Y695 PolarHBondContact O-N 3.21Å; E693-S696 WeakPolarHBondContact O-CB 3.45Å; E693-S696 PolarHBondContact O-N 3.41Å; E693-S696 PolarHBondContact O-OG 3.41Å; E693-I697 PolarHBondContact O-N 2.88Å; E693-V714 HydrophobicContact CB-CG1 4.28Å; E693-V714 HydrophobicContact CB-CG2 4.42Å; E693-V714 HydrophobicContact CG-CG2 4.29Å; E693-R933 IonicContact OE1-NH2 2.89Å; E693-R933 PolarHBondContact OE1-NH2 3.26Å; E693-R933 IonicContact OE2-CZ 3.11Å; E693-R933 IonicContact OE2-NE 2.91Å; E693-R933 IonicContact OE2-NH2 2.76Å; E693-R933 PolarHBondContact OE2-NH2 3.17Å |
| 694 | M | 86.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.5 | -33.5 | 176.3 | -60.3 | -61.1 | 178.3 | 0 | 0 | 111.5 | F263 F267 Y691 T692 S696 I697 F698 L711 V714 M718 | F263-M694 HydrophobicContact CB-CE 4.16Å; F263-M694 HydrophobicContact CB-SD 4.31Å; F263-M694 HydrophobicContact CD1-CB 4.29Å; F263-M694 HydrophobicContact CD1-CG 4.02Å; F263-M694 HydrophobicContact CD1-SD 4.39Å; F263-M694 HydrophobicContact CD2-CE 4.25Å; F263-M694 HydrophobicContact CD2-CG 4.19Å; F263-M694 HydrophobicContact CE1-CB 4.08Å; F263-M694 HydrophobicContact CE1-CG 4.07Å; F263-M694 HydrophobicContact CE2-CG 4.23Å; F263-M694 HydrophobicContact CG-CE 4.22Å; F263-M694 HydrophobicContact CG-CG 4.09Å; F263-M694 HydrophobicContact CG-SD 4.21Å; F263-M694 HydrophobicContact CZ-CB 4.44Å; F263-M694 HydrophobicContact CZ-CG 4.18Å; F267-M694 HydrophobicContact CE2-CB 4.34Å; F267-M694 HydrophobicContact CE2-SD 4.01Å; Y691-M694 VanDerWaalsContact O-CB 3.25Å; Y691-M694 WeakPolarHBondContact O-CB 3.32Å; Y691-M694 WeakPolarHBondContact O-CG 3.45Å; Y691-M694 PolarHBondContact O-N 3.27Å; T692-M694 PolarHBondContact O-N 2.89Å; M694-S696 VanDerWaalsContact C-N 3.28Å; M694-S696 PolarHBondContact O-N 3.39Å; M694-I697 PolarHBondContact O-N 3.04Å; M694-I697 VanDerWaalsContact O-N 3.1Å; M694-I697 HydrophobicContact SD-CD1 4.12Å; M694-F698 PolarHBondContact O-N 3.02Å; M694-L711 HydrophobicContact CE-CD1 4.46Å; M694-L711 HydrophobicContact SD-CD1 4.03Å; M694-V714 HydrophobicContact CE-CB 3.93Å; M694-V714 HydrophobicContact CE-CG1 3.35Å; M694-V714 HydrophobicContact SD-CG1 4.1Å; M694-M718 HydrophobicContact CE-CE 3.44Å; M694-M718 VanDerWaalsContact CE-CE 3.44Å; M694-M718 HydrophobicContact CE-SD 3.73Å; M694-M718 HydrophobicContact CG-CE 4.28Å |
| 695 | Y | 84.3 | Confident | 84.6 | Confident | 12 Ų | 12 | 42 Ų | 42 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.6 | -29.4 | 176 | -61.9 | -76 | 0 | 0 | 0 | 113.4 | V47 V281 Y691 T692 E693 I697 F698 P699 F932 | V47-Y695 HydrophobicContact CB-CE1 4.41Å; V47-Y695 HydrophobicContact CG1-CD1 4.01Å; V47-Y695 HydrophobicContact CG1-CE1 3.73Å; V47-Y695 HydrophobicContact CG2-CE1 3.72Å; V281-Y695 HydrophobicContact CG1-CE1 4.43Å; V281-Y695 WeakPolarHBondContact CG1-OH 3.28Å; V281-Y695 HydrophobicContact CG2-CE1 3.71Å; Y691-Y695 HydrophobicContact CE1-CE2 4.01Å; Y691-Y695 PolarHBondContact OH-OH 2.91Å; T692-Y695 WeakPolarHBondContact O-CB 3.5Å; T692-Y695 WeakPolarHBondContact O-CD2 3.19Å; T692-Y695 PolarHBondContact O-N 2.77Å; E693-Y695 PolarHBondContact O-N 3.21Å; Y695-I697 VanDerWaalsContact C-N 3.26Å; Y695-I697 PolarHBondContact O-N 3.29Å; Y695-F698 HydrophobicContact CD1-CD2 4.12Å; Y695-F698 AromaticContact CD1-CE2 3.79Å; Y695-F698 HydrophobicContact CD1-CE2 3.79Å; Y695-F698 HydrophobicContact CE1-CE2 4.33Å; Y695-F698 HydrophobicContact CG-CE2 4.47Å; Y695-P699 WeakPolarHBondContact O-CD 3.42Å; Y695-F932 HydrophobicContact CD1-CD2 4.36Å; Y695-F932 HydrophobicContact CD1-CE2 4.32Å; Y695-F932 HydrophobicContact CD2-CB 4.04Å; Y695-F932 HydrophobicContact CD2-CD2 4.17Å; Y695-F932 HydrophobicContact CD2-CG 4.09Å; Y695-F932 HydrophobicContact CE2-CB 4.07Å; Y695-F932 HydrophobicContact CE2-CD1 4.33Å; Y695-F932 HydrophobicContact CE2-CG 4.08Å; Y695-F932 HydrophobicContact CG-CD2 4.11Å; Y695-F932 HydrophobicContact CG-CE2 4.48Å; Y695-F932 HydrophobicContact CG-CG 4.46Å |
| 696 | S | 82.9 | Confident | 84.4 | Confident | 36 Ų | 36 | 45.2 Ų | 45.2 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -73.7 | -18 | 174.7 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | E693 M694 P699 | E693-S696 WeakPolarHBondContact O-CB 3.45Å; E693-S696 PolarHBondContact O-N 3.41Å; E693-S696 PolarHBondContact O-OG 3.41Å; M694-S696 VanDerWaalsContact C-N 3.28Å; M694-S696 PolarHBondContact O-N 3.39Å; S696-P699 WeakPolarHBondContact O-CD 3.31Å |
| 697 | I | 85.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -85.5 | -27.8 | -177.7 | -57.9 | 175.9 | 0 | 0 | 0 | 110.5 | F267 E693 M694 Y695 L700 L707 R710 V714 | F267-I697 HydrophobicContact CD1-CG2 4.05Å; F267-I697 HydrophobicContact CE1-CB 3.85Å; F267-I697 HydrophobicContact CE1-CG2 3.49Å; F267-I697 VanDerWaalsContact CE1-CG2 3.49Å; F267-I697 HydrophobicContact CZ-CB 3.78Å; F267-I697 HydrophobicContact CZ-CG2 3.84Å; E693-I697 PolarHBondContact O-N 2.88Å; M694-I697 PolarHBondContact O-N 3.04Å; M694-I697 VanDerWaalsContact O-N 3.1Å; M694-I697 HydrophobicContact SD-CD1 4.12Å; Y695-I697 VanDerWaalsContact C-N 3.26Å; Y695-I697 PolarHBondContact O-N 3.29Å; I697-L700 WeakPolarHBondContact O-CB 3.29Å; I697-L700 PolarHBondContact O-N 3.36Å; I697-L707 HydrophobicContact CG2-CD1 4.49Å; I697-L707 HydrophobicContact CG2-CG 3.83Å; I697-R710 HydrophobicContact CD1-CB 4.43Å; I697-V714 HydrophobicContact CD1-CG2 4.12Å |
| 698 | F | 81.1 | Confident | 84.2 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 8% | 0.075 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -55.7 | -44.4 | 179.2 | -64.7 | -56.5 | 0 | 0 | 0 | 114.1 | T51 F267 I270 A277 I280 V281 M694 Y695 L700 R701 | T51-F698 HydrophobicContact CG2-CB 4.32Å; T51-F698 HydrophobicContact CG2-CD2 4.22Å; F267-F698 HydrophobicContact CD1-CD1 4.38Å; F267-F698 HydrophobicContact CD1-CE1 4.48Å; F267-F698 AromaticContact CE1-CD1 3.44Å; F267-F698 HydrophobicContact CE1-CD1 3.44Å; F267-F698 VanDerWaalsContact CE1-CD1 3.44Å; F267-F698 AromaticContact CE1-CE1 3.69Å; F267-F698 HydrophobicContact CE1-CE1 3.69Å; F267-F698 HydrophobicContact CE1-CG 4.24Å; F267-F698 HydrophobicContact CE2-CE1 4.06Å; F267-F698 HydrophobicContact CE2-CZ 4.45Å; F267-F698 AromaticContact CZ-CD1 3.57Å; F267-F698 HydrophobicContact CZ-CD1 3.57Å; F267-F698 AromaticContact CZ-CE1 3.43Å; F267-F698 HydrophobicContact CZ-CE1 3.43Å; F267-F698 VanDerWaalsContact CZ-CE1 3.43Å; F267-F698 HydrophobicContact CZ-CG 4.23Å; F267-F698 AromaticContact CZ-CZ 3.98Å; F267-F698 HydrophobicContact CZ-CZ 3.98Å; I270-F698 HydrophobicContact CD1-CD1 3.59Å; I270-F698 HydrophobicContact CD1-CE1 3.62Å; A277-F698 HydrophobicContact CB-CB 4.07Å; A277-F698 HydrophobicContact CB-CD1 3.45Å; A277-F698 VanDerWaalsContact CB-CD1 3.45Å; A277-F698 HydrophobicContact CB-CD2 3.73Å; A277-F698 HydrophobicContact CB-CE1 3.68Å; A277-F698 HydrophobicContact CB-CE2 3.97Å; A277-F698 HydrophobicContact CB-CG 3.5Å; A277-F698 VanDerWaalsContact CB-CG 3.5Å; A277-F698 HydrophobicContact CB-CZ 3.94Å; I280-F698 HydrophobicContact CD1-CE1 4.34Å; V281-F698 HydrophobicContact CG2-CE2 4.14Å; V281-F698 HydrophobicContact CG2-CZ 4.1Å; M694-F698 PolarHBondContact O-N 3.02Å; Y695-F698 HydrophobicContact CD1-CD2 4.12Å; Y695-F698 AromaticContact CD1-CE2 3.79Å; Y695-F698 HydrophobicContact CD1-CE2 3.79Å; Y695-F698 HydrophobicContact CE1-CE2 4.33Å; Y695-F698 HydrophobicContact CG-CE2 4.47Å; F698-L700 PolarHBondContact O-N 3.29Å; F698-R701 PolarHBondContact O-N 2.98Å |
| 699 | P | 77.9 | Confident | 84.2 | Confident | 81 Ų | 81 | 49.1 Ų | 49.1 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -66.9 | -14.5 | 177 | -22.3 | 35 | 0 | 0 | 0 | 114.6 | Y695 S696 R701 | Y695-P699 WeakPolarHBondContact O-CD 3.42Å; S696-P699 WeakPolarHBondContact O-CD 3.31Å; P699-R701 PolarHBondContact O-N 3.31Å |
| 700 | L | 79.3 | Confident | 84.2 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -79.4 | 12.2 | 179.7 | -63.1 | 172.3 | 0 | 0 | 0 | 113.4 | I697 F698 S702 N703 L706 L707 | I697-L700 WeakPolarHBondContact O-CB 3.29Å; I697-L700 PolarHBondContact O-N 3.36Å; F698-L700 PolarHBondContact O-N 3.29Å; L700-S702 PolarHBondContact O-N 3.07Å; L700-S702 VanDerWaalsContact O-N 3.09Å; L700-N703 PolarHBondContact O-N 3.35Å; L700-L706 HydrophobicContact CD2-CD2 4.18Å; L700-L707 HydrophobicContact CB-CB 4.42Å |
| 701 | R | 72.3 | Confident | 84.1 | Confident | 120 Ų | 120 | 52 Ų | 52 | 45% | 0.453 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -52.3 | -32.3 | -179 | -175.3 | 175.3 | 175.1 | -163.6 | -8.1 | 113.4 | I270 D274 F698 P699 N703 | I270-R701 HydrophobicContact CG2-CG 4.48Å; D274-R701 IonicContact OD1-CZ 2.93Å; D274-R701 IonicContact OD1-NH2 3.05Å; D274-R701 PolarHBondContact OD1-NH2 2.96Å; D274-R701 IonicContact OD2-NH2 3.02Å; D274-R701 PolarHBondContact OD2-NH2 3.39Å; D274-R701 VanDerWaalsContact OD2-NH2 3.11Å; F698-R701 PolarHBondContact O-N 2.98Å; P699-R701 PolarHBondContact O-N 3.31Å; R701-N703 PolarHBondContact O-N 3.16Å |
| 702 | S | 74.6 | Confident | 84.3 | Confident | 98 Ų | 98 | 55 Ų | 55 | 69% | 0.685 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -66.9 | -20.8 | 179.9 | -49 | 0 | 0 | 0 | 0 | 114 | L700 | L700-S702 PolarHBondContact O-N 3.07Å; L700-S702 VanDerWaalsContact O-N 3.09Å |
| 703 | N | 83.6 | Confident | 84.4 | Confident | 97 Ų | 97 | 58.8 Ų | 58.8 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | trans | -124.7 | 83.5 | -177.6 | -70.2 | -30.2 | 0 | 0 | 0 | 110.7 | L700 R701 D705 L706 L707 | L700-N703 PolarHBondContact O-N 3.35Å; R701-N703 PolarHBondContact O-N 3.16Å; N703-D705 VanDerWaalsContact C-N 3.3Å; N703-D705 PolarHBondContact O-N 3.19Å; N703-L706 HydrophobicContact CB-CB 4.09Å; N703-L706 PolarHBondContact O-N 2.89Å; N703-L707 WeakPolarHBondContact O-CB 3.5Å; N703-L707 PolarHBondContact O-N 2.69Å | ||
| 704 | P | 80.4 | Confident | 84.5 | Confident | 55 Ų | 55 | 56.7 Ų | 56.7 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.7 | -36.6 | -172.7 | 22.1 | -32.9 | 0 | 0 | 0 | 113.3 | V271 L707 F708 | V271-P704 HydrophobicContact CG1-CB 4.42Å; P704-L707 WeakPolarHBondContact O-CB 3.31Å; P704-L707 PolarHBondContact O-N 2.87Å; P704-F708 VanDerWaalsContact O-CD2 3.23Å; P704-F708 WeakPolarHBondContact O-CD2 3.45Å; P704-F708 PolarHBondContact O-N 2.75Å |
| 705 | D | 84.6 | Confident | 84.7 | Confident | 140 Ų | 140 | 57 Ų | 57 | 75% | 0.749 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | -179.8 | -63.5 | -31.2 | 0 | 0 | 0 | 112.1 | N703 L707 S709 | N703-D705 VanDerWaalsContact C-N 3.3Å; N703-D705 PolarHBondContact O-N 3.19Å; D705-L707 VanDerWaalsContact C-N 3.34Å; D705-S709 VanDerWaalsContact O-CB 3.32Å; D705-S709 WeakPolarHBondContact O-CB 3.35Å; D705-S709 PolarHBondContact O-N 3.12Å |
| 706 | L | 86.4 | Confident | 85.1 | Confident | 71 Ų | 71 | 57.9 Ų | 57.9 | 37% | 0.372 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 176.2 | -176.6 | 63.5 | 0 | 0 | 0 | 111.2 | L700 N703 R710 | L700-L706 HydrophobicContact CD2-CD2 4.18Å; N703-L706 HydrophobicContact CB-CB 4.09Å; N703-L706 PolarHBondContact O-N 2.89Å; L706-R710 HydrophobicContact CD1-CG 4.44Å; L706-R710 WeakPolarHBondContact O-CG 3.38Å; L706-R710 PolarHBondContact O-N 3.37Å |
| 707 | L | 86.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.3 | -54.2 | 176.4 | -178.6 | 155.9 | 0 | 0 | 0 | 110.9 | F267 V271 I697 L700 N703 P704 D705 S709 R710 L711 | F267-L707 HydrophobicContact CB-CD2 4.26Å; F267-L707 HydrophobicContact CD1-CD1 4.27Å; F267-L707 HydrophobicContact CD1-CD2 4.02Å; F267-L707 HydrophobicContact CD1-CG 4.34Å; F267-L707 HydrophobicContact CG-CD2 4.47Å; V271-L707 HydrophobicContact CG2-CD1 4.43Å; V271-L707 HydrophobicContact CG2-CD2 4.49Å; I697-L707 HydrophobicContact CG2-CD1 4.49Å; I697-L707 HydrophobicContact CG2-CG 3.83Å; L700-L707 HydrophobicContact CB-CB 4.42Å; N703-L707 WeakPolarHBondContact O-CB 3.5Å; N703-L707 PolarHBondContact O-N 2.69Å; P704-L707 WeakPolarHBondContact O-CB 3.31Å; P704-L707 PolarHBondContact O-N 2.87Å; D705-L707 VanDerWaalsContact C-N 3.34Å; L707-S709 VanDerWaalsContact C-N 3.34Å; L707-S709 PolarHBondContact O-N 2.91Å; L707-R710 PolarHBondContact O-N 3.41Å; L707-L711 HydrophobicContact CD2-CD2 4.37Å; L707-L711 WeakPolarHBondContact O-CB 3.28Å; L707-L711 PolarHBondContact O-N 2.97Å |
| 708 | F | 87.5 | Confident | 85.7 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.5 | -33.6 | -178.9 | -79 | -67.7 | 0 | 0 | 0 | 112.8 | K268 V271 P704 L711 T712 | K268-F708 HydrophobicContact CB-CE1 4.23Å; K268-F708 HydrophobicContact CB-CZ 4.28Å; K268-F708 HydrophobicContact CG-CZ 4.46Å; V271-F708 HydrophobicContact CG1-CE2 4.49Å; V271-F708 HydrophobicContact CG2-CE2 4.11Å; V271-F708 HydrophobicContact CG2-CZ 4.26Å; P704-F708 VanDerWaalsContact O-CD2 3.23Å; P704-F708 WeakPolarHBondContact O-CD2 3.45Å; P704-F708 PolarHBondContact O-N 2.75Å; F708-L711 HydrophobicContact CD1-CD2 4.03Å; F708-L711 HydrophobicContact CE1-CD2 4.3Å; F708-T712 VanDerWaalsContact O-CB 3.29Å; F708-T712 WeakPolarHBondContact O-CB 3.48Å; F708-T712 PolarHBondContact O-N 2.86Å; F708-T712 PolarHBondContact O-OG1 3.39Å |
| 709 | S | 89 | Confident | 86.2 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 51% | 0.51 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.4 | -52.9 | 173.9 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | D705 L707 T712 V713 | D705-S709 VanDerWaalsContact O-CB 3.32Å; D705-S709 WeakPolarHBondContact O-CB 3.35Å; D705-S709 PolarHBondContact O-N 3.12Å; L707-S709 VanDerWaalsContact C-N 3.34Å; L707-S709 PolarHBondContact O-N 2.91Å; S709-T712 PolarHBondContact O-N 3.05Å; S709-V713 WeakPolarHBondContact O-CG2 3.3Å; S709-V713 PolarHBondContact O-N 3.18Å |
| 710 | R | 89.7 | Confident | 86.9 | Confident | 124 Ų | 124 | 64.2 Ų | 64.2 | 47% | 0.468 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 177.9 | -72.1 | -171.3 | -178.7 | -165.6 | 1.6 | 112.3 | I697 L706 L707 T712 V713 V714 | I697-R710 HydrophobicContact CD1-CB 4.43Å; L706-R710 HydrophobicContact CD1-CG 4.44Å; L706-R710 WeakPolarHBondContact O-CG 3.38Å; L706-R710 PolarHBondContact O-N 3.37Å; L707-R710 PolarHBondContact O-N 3.41Å; R710-T712 VanDerWaalsContact C-N 3.35Å; R710-T712 PolarHBondContact O-N 3.31Å; R710-V713 PolarHBondContact O-N 2.89Å; R710-V714 WeakPolarHBondContact O-CG2 3.36Å; R710-V714 PolarHBondContact O-N 2.95Å |
| 711 | L | 90.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58 | -46 | 178.3 | 175.7 | 64.6 | 0 | 0 | 0 | 112.1 | F267 M694 L707 F708 V713 V714 C715 | F267-L711 HydrophobicContact CB-CD1 4.39Å; F267-L711 HydrophobicContact CB-CD2 3.39Å; F267-L711 HydrophobicContact CB-CG 4.49Å; F267-L711 HydrophobicContact CD2-CD1 3.4Å; F267-L711 VanDerWaalsContact CD2-CD1 3.4Å; F267-L711 HydrophobicContact CD2-CD2 4.07Å; F267-L711 HydrophobicContact CD2-CG 4.34Å; F267-L711 HydrophobicContact CE2-CD1 3.87Å; F267-L711 HydrophobicContact CG-CD1 4.01Å; F267-L711 HydrophobicContact CG-CD2 3.84Å; M694-L711 HydrophobicContact CE-CD1 4.46Å; M694-L711 HydrophobicContact SD-CD1 4.03Å; L707-L711 HydrophobicContact CD2-CD2 4.37Å; L707-L711 WeakPolarHBondContact O-CB 3.28Å; L707-L711 PolarHBondContact O-N 2.97Å; F708-L711 HydrophobicContact CD1-CD2 4.03Å; F708-L711 HydrophobicContact CE1-CD2 4.3Å; L711-V713 VanDerWaalsContact C-N 3.28Å; L711-V713 PolarHBondContact O-N 3.17Å; L711-V714 PolarHBondContact O-N 3.39Å; L711-C715 WeakPolarHBondContact O-CB 3.46Å; L711-C715 PolarHBondContact O-N 3.42Å; L711-C715 PolarHBondContact O-SG 3.31Å |
| 712 | T | 90.1 | Very high | 88.4 | Confident | 78 Ų | 78 | 58 Ų | 58 | 48% | 0.479 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | -179.9 | -56.2 | 0 | 0 | 0 | 0 | 111 | F708 S709 R710 G716 | F708-T712 VanDerWaalsContact O-CB 3.29Å; F708-T712 WeakPolarHBondContact O-CB 3.48Å; F708-T712 PolarHBondContact O-N 2.86Å; F708-T712 PolarHBondContact O-OG1 3.39Å; S709-T712 PolarHBondContact O-N 3.05Å; R710-T712 VanDerWaalsContact C-N 3.35Å; R710-T712 PolarHBondContact O-N 3.31Å; T712-G716 PolarHBondContact O-N 2.98Å |
| 713 | V | 92 | Very high | 89.3 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 47% | 0.473 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | S709 R710 L711 G716 M717 | S709-V713 WeakPolarHBondContact O-CG2 3.3Å; S709-V713 PolarHBondContact O-N 3.18Å; R710-V713 PolarHBondContact O-N 2.89Å; L711-V713 VanDerWaalsContact C-N 3.28Å; L711-V713 PolarHBondContact O-N 3.17Å; V713-G716 PolarHBondContact O-N 3.05Å; V713-M717 HydrophobicContact CG1-CE 3.63Å; V713-M717 HydrophobicContact CG1-SD 4.22Å; V713-M717 VanDerWaalsContact O-CG 3.32Å; V713-M717 WeakPolarHBondContact O-CG 3.42Å; V713-M717 PolarHBondContact O-N 2.88Å |
| 714 | V | 90.9 | Very high | 89.7 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.2 | -43.7 | -179.3 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | L690 E693 M694 I697 R710 L711 G716 M717 M718 | L690-V714 HydrophobicContact CB-CG1 4.26Å; L690-V714 HydrophobicContact CD2-CG1 4.29Å; E693-V714 HydrophobicContact CB-CG1 4.28Å; E693-V714 HydrophobicContact CB-CG2 4.42Å; E693-V714 HydrophobicContact CG-CG2 4.29Å; M694-V714 HydrophobicContact CE-CB 3.93Å; M694-V714 HydrophobicContact CE-CG1 3.35Å; M694-V714 HydrophobicContact SD-CG1 4.1Å; I697-V714 HydrophobicContact CD1-CG2 4.12Å; R710-V714 WeakPolarHBondContact O-CG2 3.36Å; R710-V714 PolarHBondContact O-N 2.95Å; L711-V714 PolarHBondContact O-N 3.39Å; V714-G716 VanDerWaalsContact C-N 3.32Å; V714-G716 PolarHBondContact O-N 2.86Å; V714-M717 WeakPolarHBondContact O-CB 3.33Å; V714-M717 PolarHBondContact O-N 3.25Å; V714-M718 HydrophobicContact CG1-CE 4.33Å; V714-M718 WeakPolarHBondContact O-CG 3.33Å; V714-M718 PolarHBondContact O-N 3.42Å |
| 715 | C | 90.7 | Very high | 90.2 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 174.1 | -73.3 | 0 | 0 | 0 | 0 | 111.9 | A260 L711 M718 L719 | A260-C715 HydrophobicContact CB-CB 4.15Å; L711-C715 WeakPolarHBondContact O-CB 3.46Å; L711-C715 PolarHBondContact O-N 3.42Å; L711-C715 PolarHBondContact O-SG 3.31Å; C715-M718 PolarHBondContact O-N 3.24Å; C715-L719 PolarHBondContact O-N 2.97Å; C715-L719 VanDerWaalsContact O-N 3.11Å |
| 716 | G | 91.4 | Very high | 90.6 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T712 V713 V714 M718 L719 V720 | T712-G716 PolarHBondContact O-N 2.98Å; V713-G716 PolarHBondContact O-N 3.05Å; V714-G716 VanDerWaalsContact C-N 3.32Å; V714-G716 PolarHBondContact O-N 2.86Å; G716-M718 VanDerWaalsContact C-N 3.34Å; G716-M718 PolarHBondContact O-N 3.15Å; G716-L719 PolarHBondContact O-N 3.48Å; G716-V720 WeakPolarHBondContact O-CG2 3.36Å; G716-V720 PolarHBondContact O-N 3.45Å |
| 717 | M | 92.6 | Very high | 90.9 | Very high | 95 Ų | 95 | 52.1 Ų | 52.1 | 47% | 0.468 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 174.7 | -70.5 | 175 | 176.2 | 0 | 0 | 112.1 | L690 V713 V714 L719 V720 I721 | L690-M717 HydrophobicContact CD1-CB 3.72Å; L690-M717 HydrophobicContact CD2-CB 3.98Å; L690-M717 HydrophobicContact CD2-SD 4.03Å; V713-M717 HydrophobicContact CG1-CE 3.63Å; V713-M717 HydrophobicContact CG1-SD 4.22Å; V713-M717 VanDerWaalsContact O-CG 3.32Å; V713-M717 WeakPolarHBondContact O-CG 3.42Å; V713-M717 PolarHBondContact O-N 2.88Å; V714-M717 WeakPolarHBondContact O-CB 3.33Å; V714-M717 PolarHBondContact O-N 3.25Å; M717-L719 VanDerWaalsContact C-N 3.34Å; M717-L719 PolarHBondContact O-N 2.98Å; M717-V720 PolarHBondContact O-N 3.31Å; M717-I721 WeakPolarHBondContact O-CG1 3.4Å; M717-I721 PolarHBondContact O-N 3.28Å |
| 718 | M | 89.9 | Confident | 91.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 176.1 | -72.7 | -178.8 | 170.7 | 0 | 0 | 112.2 | T259 L690 M694 V714 C715 G716 I721 G722 | T259-M718 HydrophobicContact CG2-CE 4.45Å; T259-M718 HydrophobicContact CG2-SD 4Å; L690-M718 VanDerWaalsContact C-CE 3.43Å; L690-M718 HydrophobicContact CB-CE 3.78Å; L690-M718 HydrophobicContact CB-CG 3.94Å; L690-M718 HydrophobicContact CD1-CB 4.33Å; L690-M718 HydrophobicContact CD1-CG 3.69Å; L690-M718 HydrophobicContact CG-CG 4.5Å; L690-M718 WeakPolarHBondContact O-CE 3.45Å; M694-M718 HydrophobicContact CE-CE 3.44Å; M694-M718 VanDerWaalsContact CE-CE 3.44Å; M694-M718 HydrophobicContact CE-SD 3.73Å; M694-M718 HydrophobicContact CG-CE 4.28Å; V714-M718 HydrophobicContact CG1-CE 4.33Å; V714-M718 WeakPolarHBondContact O-CG 3.33Å; V714-M718 PolarHBondContact O-N 3.42Å; C715-M718 PolarHBondContact O-N 3.24Å; G716-M718 VanDerWaalsContact C-N 3.34Å; G716-M718 PolarHBondContact O-N 3.15Å; M718-I721 PolarHBondContact O-N 3.07Å; M718-G722 PolarHBondContact O-N 3.39Å |
| 719 | L | 91.1 | Very high | 91.3 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 38% | 0.382 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 175.1 | -70 | 174.5 | 0 | 0 | 0 | 111.6 | C257 A260 C715 G716 M717 I721 G722 V723 | C257-L719 HydrophobicContact CB-CD2 4.09Å; C257-L719 WeakPolarHBondContact SG-CD2 3.39Å; A260-L719 HydrophobicContact CB-CD2 4.23Å; A260-L719 HydrophobicContact CB-CG 4.2Å; C715-L719 PolarHBondContact O-N 2.97Å; C715-L719 VanDerWaalsContact O-N 3.11Å; G716-L719 PolarHBondContact O-N 3.48Å; M717-L719 VanDerWaalsContact C-N 3.34Å; M717-L719 PolarHBondContact O-N 2.98Å; L719-I721 VanDerWaalsContact C-N 3.33Å; L719-I721 PolarHBondContact O-N 3.46Å; L719-G722 PolarHBondContact O-N 3.17Å; L719-G722 VanDerWaalsContact O-N 3.12Å; L719-V723 WeakPolarHBondContact O-CG2 3.47Å; L719-V723 PolarHBondContact O-N 3.31Å |
| 720 | V | 93 | Very high | 91.5 | Very high | 99 Ų | 99 | 47.8 Ų | 47.8 | 60% | 0.6 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.1 | -43.4 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | G716 M717 G722 V723 L724 | G716-V720 WeakPolarHBondContact O-CG2 3.36Å; G716-V720 PolarHBondContact O-N 3.45Å; M717-V720 PolarHBondContact O-N 3.31Å; V720-G722 VanDerWaalsContact C-N 3.33Å; V720-G722 PolarHBondContact O-N 3.3Å; V720-V723 PolarHBondContact O-N 2.94Å; V720-L724 WeakPolarHBondContact O-CB 3.34Å; V720-L724 PolarHBondContact O-N 2.86Å |
| 721 | I | 92.1 | Very high | 91.6 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 174.8 | -67.4 | -176.4 | 0 | 0 | 0 | 111.3 | F256 T683 A686 L690 M717 M718 L719 L724 R725 | F256-I721 HydrophobicContact CD1-CG2 4.46Å; F256-I721 HydrophobicContact CE1-CB 4.48Å; F256-I721 HydrophobicContact CE1-CG2 3.75Å; F256-I721 HydrophobicContact CZ-CG2 3.96Å; T683-I721 HydrophobicContact CG2-CG2 4.26Å; A686-I721 HydrophobicContact CB-CD1 3.65Å; L690-I721 HydrophobicContact CD1-CD1 3.39Å; L690-I721 HydrophobicContact CD1-CG1 4.27Å; L690-I721 HydrophobicContact CG-CD1 4.17Å; M717-I721 WeakPolarHBondContact O-CG1 3.4Å; M717-I721 PolarHBondContact O-N 3.28Å; M718-I721 PolarHBondContact O-N 3.07Å; L719-I721 VanDerWaalsContact C-N 3.33Å; L719-I721 PolarHBondContact O-N 3.46Å; I721-L724 PolarHBondContact O-N 3.41Å; I721-R725 WeakPolarHBondContact O-CB 3.39Å; I721-R725 PolarHBondContact O-N 2.68Å |
| 722 | G | 90.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F256 M718 L719 V720 R725 F726 | F256-G722 VanDerWaalsContact CD2-CA 3.47Å; M718-G722 PolarHBondContact O-N 3.39Å; L719-G722 PolarHBondContact O-N 3.17Å; L719-G722 VanDerWaalsContact O-N 3.12Å; V720-G722 VanDerWaalsContact C-N 3.33Å; V720-G722 PolarHBondContact O-N 3.3Å; G722-R725 PolarHBondContact O-N 2.76Å; G722-F726 PolarHBondContact O-N 3.46Å |
| 723 | V | 93 | Very high | 91.7 | Very high | 76 Ų | 76 | 40.9 Ų | 40.9 | 46% | 0.461 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | L253 L719 V720 R725 F726 V727 | L253-V723 HydrophobicContact CD1-CG2 4.02Å; L719-V723 WeakPolarHBondContact O-CG2 3.47Å; L719-V723 PolarHBondContact O-N 3.31Å; V720-V723 PolarHBondContact O-N 2.94Å; V723-R725 VanDerWaalsContact C-N 3.3Å; V723-R725 PolarHBondContact O-N 3.11Å; V723-F726 WeakPolarHBondContact O-CB 3.37Å; V723-F726 PolarHBondContact O-N 3.49Å; V723-V727 HydrophobicContact CG1-CG2 4.49Å; V723-V727 WeakPolarHBondContact O-CG2 3.3Å; V723-V727 PolarHBondContact O-N 3.25Å |
| 724 | L | 93 | Very high | 91.7 | Very high | 81 Ų | 81 | 40.6 Ų | 40.6 | 42% | 0.424 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 176.1 | -177.8 | 64.3 | 0 | 0 | 0 | 111.2 | I679 V720 I721 V727 A728 | I679-L724 HydrophobicContact CG2-CD1 3.9Å; I679-L724 HydrophobicContact CG2-CD2 4Å; I679-L724 HydrophobicContact CG2-CG 3.8Å; V720-L724 WeakPolarHBondContact O-CB 3.34Å; V720-L724 PolarHBondContact O-N 2.86Å; I721-L724 PolarHBondContact O-N 3.41Å; L724-V727 PolarHBondContact O-N 3.43Å; L724-A728 WeakPolarHBondContact O-CB 3.48Å; L724-A728 PolarHBondContact O-N 2.95Å |
| 725 | R | 90.3 | Very high | 91.8 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 18% | 0.177 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.1 | -167.3 | -178.1 | -176.5 | -176.6 | -0.6 | 112 | F256 T683 I721 G722 V723 A728 N729 | F256-R725 HydrophobicContact CE2-CB 4.43Å; T683-R725 HydrophobicContact CG2-CB 3.95Å; T683-R725 HydrophobicContact CG2-CG 4.29Å; I721-R725 WeakPolarHBondContact O-CB 3.39Å; I721-R725 PolarHBondContact O-N 2.68Å; G722-R725 PolarHBondContact O-N 2.76Å; V723-R725 VanDerWaalsContact C-N 3.3Å; V723-R725 PolarHBondContact O-N 3.11Å; R725-A728 PolarHBondContact O-N 3.34Å; R725-N729 VanDerWaalsContact O-CB 3.26Å; R725-N729 WeakPolarHBondContact O-CB 3.46Å; R725-N729 PolarHBondContact O-N 3.04Å; R725-N729 PolarHBondContact O-ND2 3.42Å |
| 726 | F | 92.3 | Very high | 91.8 | Very high | 59 Ų | 59 | 42 Ų | 42 | 26% | 0.259 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.9 | -50.9 | 175.9 | 175.1 | -97.5 | 0 | 0 | 0 | 111.4 | G249 L253 G722 V723 N729 I730 | G249-F726 VanDerWaalsContact C-CD2 3.43Å; L253-F726 HydrophobicContact CB-CB 4.4Å; L253-F726 HydrophobicContact CD2-CD2 4.38Å; L253-F726 HydrophobicContact CD2-CG 4.48Å; G722-F726 PolarHBondContact O-N 3.46Å; V723-F726 WeakPolarHBondContact O-CB 3.37Å; V723-F726 PolarHBondContact O-N 3.49Å; F726-N729 PolarHBondContact O-N 3.42Å; F726-I730 HydrophobicContact CD1-CD1 4.01Å; F726-I730 HydrophobicContact CD2-CD1 4.32Å; F726-I730 HydrophobicContact CE1-CD1 3.44Å; F726-I730 VanDerWaalsContact CE1-CD1 3.44Å; F726-I730 HydrophobicContact CE2-CD1 3.78Å; F726-I730 HydrophobicContact CG-CD1 4.42Å; F726-I730 HydrophobicContact CZ-CD1 3.31Å; F726-I730 PolarHBondContact O-N 2.98Å; F726-I730 VanDerWaalsContact O-N 3.17Å |
| 727 | V | 93.9 | Very high | 91.7 | Very high | 75 Ų | 75 | 40.9 Ų | 40.9 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.8 | -47.7 | 178.5 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | V723 L724 N729 I730 S731 | V723-V727 HydrophobicContact CG1-CG2 4.49Å; V723-V727 WeakPolarHBondContact O-CG2 3.3Å; V723-V727 PolarHBondContact O-N 3.25Å; L724-V727 PolarHBondContact O-N 3.43Å; V727-N729 VanDerWaalsContact C-N 3.31Å; V727-N729 PolarHBondContact O-N 3.32Å; V727-I730 PolarHBondContact O-N 3.28Å; V727-S731 WeakPolarHBondContact O-CB 3.41Å; V727-S731 PolarHBondContact O-N 3.38Å; V727-S731 PolarHBondContact O-OG 2.97Å; V727-S731 VanDerWaalsContact O-OG 3.1Å |
| 728 | A | 92.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -41.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | I679 L724 R725 S731 Q732 | I679-A728 HydrophobicContact CB-CB 4.42Å; I679-A728 HydrophobicContact CG2-CB 4.01Å; L724-A728 WeakPolarHBondContact O-CB 3.48Å; L724-A728 PolarHBondContact O-N 2.95Å; R725-A728 PolarHBondContact O-N 3.34Å; A728-S731 PolarHBondContact O-N 3.17Å; A728-Q732 WeakPolarHBondContact O-CB 3.33Å; A728-Q732 VanDerWaalsContact O-CG 3.31Å; A728-Q732 WeakPolarHBondContact O-CG 3.49Å; A728-Q732 PolarHBondContact O-N 3.48Å |
| 729 | N | 89.4 | Confident | 91.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 178.1 | -90 | -31.8 | 0 | 0 | 0 | 113.2 | R725 F726 V727 Q732 S733 | R725-N729 VanDerWaalsContact O-CB 3.26Å; R725-N729 WeakPolarHBondContact O-CB 3.46Å; R725-N729 PolarHBondContact O-N 3.04Å; R725-N729 PolarHBondContact O-ND2 3.42Å; F726-N729 PolarHBondContact O-N 3.42Å; V727-N729 VanDerWaalsContact C-N 3.31Å; V727-N729 PolarHBondContact O-N 3.32Å; N729-Q732 VanDerWaalsContact O-CG 3.31Å; N729-Q732 WeakPolarHBondContact O-CG 3.41Å; N729-Q732 PolarHBondContact OD1-NE2 3.06Å; N729-S733 VanDerWaalsContact O-CB 3.3Å; N729-S733 WeakPolarHBondContact O-CB 3.45Å; N729-S733 PolarHBondContact O-N 3.35Å; N729-S733 VanDerWaalsContact O-N 3.15Å; N729-S733 PolarHBondContact O-OG 3.49Å |
| 730 | I | 92.2 | Very high | 91.5 | Very high | 37 Ų | 37 | 38 Ų | 38 | 19% | 0.19 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.1 | -48.6 | 176.3 | -71 | 171 | 0 | 0 | 0 | 110.3 | A246 F726 V727 S733 L734 | A246-I730 HydrophobicContact CB-CD1 4.08Å; A246-I730 HydrophobicContact CB-CG1 3.97Å; F726-I730 HydrophobicContact CD1-CD1 4.01Å; F726-I730 HydrophobicContact CD2-CD1 4.32Å; F726-I730 HydrophobicContact CE1-CD1 3.44Å; F726-I730 VanDerWaalsContact CE1-CD1 3.44Å; F726-I730 HydrophobicContact CE2-CD1 3.78Å; F726-I730 HydrophobicContact CG-CD1 4.42Å; F726-I730 HydrophobicContact CZ-CD1 3.31Å; F726-I730 PolarHBondContact O-N 2.98Å; F726-I730 VanDerWaalsContact O-N 3.17Å; V727-I730 PolarHBondContact O-N 3.28Å; I730-S733 PolarHBondContact O-N 3.29Å; I730-L734 HydrophobicContact CG2-CD1 3.76Å; I730-L734 HydrophobicContact CG2-CG 4.45Å; I730-L734 WeakPolarHBondContact O-CG 3.41Å; I730-L734 PolarHBondContact O-N 3.15Å |
| 731 | S | 92.3 | Very high | 91.3 | Very high | 30 Ų | 30 | 34 Ų | 34 | 21% | 0.21 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -46 | -179.6 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | C676 V727 A728 S733 L734 F735 | C676-S731 VanDerWaalsContact SG-CB 3.51Å; V727-S731 WeakPolarHBondContact O-CB 3.41Å; V727-S731 PolarHBondContact O-N 3.38Å; V727-S731 PolarHBondContact O-OG 2.97Å; V727-S731 VanDerWaalsContact O-OG 3.1Å; A728-S731 PolarHBondContact O-N 3.17Å; S731-S733 VanDerWaalsContact C-N 3.29Å; S731-S733 PolarHBondContact O-N 2.89Å; S731-L734 WeakPolarHBondContact O-CB 3.01Å; S731-L734 PolarHBondContact O-N 3.24Å; S731-F735 WeakPolarHBondContact O-CD2 3.43Å; S731-F735 WeakPolarHBondContact O-CG 3.48Å; S731-F735 PolarHBondContact O-N 3.15Å |
| 732 | Q | 91.9 | Very high | 91.2 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 5% | 0.051 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.8 | -40 | 176.5 | 71.5 | 175.6 | -22.3 | 0 | 0 | 111.6 | C676 C677 A728 N729 F735 F736 E797 | C676-Q732 HydrophobicContact CB-CB 3.8Å; C677-Q732 PolarHBondContact SG-OE1 3.43Å; A728-Q732 WeakPolarHBondContact O-CB 3.33Å; A728-Q732 VanDerWaalsContact O-CG 3.31Å; A728-Q732 WeakPolarHBondContact O-CG 3.49Å; A728-Q732 PolarHBondContact O-N 3.48Å; N729-Q732 VanDerWaalsContact O-CG 3.31Å; N729-Q732 WeakPolarHBondContact O-CG 3.41Å; N729-Q732 PolarHBondContact OD1-NE2 3.06Å; Q732-F735 PolarHBondContact O-N 3.21Å; Q732-F736 WeakPolarHBondContact O-CB 3.18Å; Q732-F736 PolarHBondContact O-N 3.44Å; Q732-E797 PolarHBondContact NE2-OE2 3.13Å; Q732-E797 VanDerWaalsContact NE2-OE2 3.13Å |
| 733 | S | 90 | Very high | 91.2 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 12% | 0.119 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.8 | -35.4 | 179.5 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | V241 G245 N729 I730 S731 G737 | V241-S733 WeakPolarHBondContact CG1-O 3.02Å; G245-S733 WeakPolarHBondContact CA-OG 3.35Å; N729-S733 VanDerWaalsContact O-CB 3.3Å; N729-S733 WeakPolarHBondContact O-CB 3.45Å; N729-S733 PolarHBondContact O-N 3.35Å; N729-S733 VanDerWaalsContact O-N 3.15Å; N729-S733 PolarHBondContact O-OG 3.49Å; I730-S733 PolarHBondContact O-N 3.29Å; S731-S733 VanDerWaalsContact C-N 3.29Å; S731-S733 PolarHBondContact O-N 2.89Å; S733-G737 WeakPolarHBondContact O-CA 3.23Å; S733-G737 PolarHBondContact O-N 2.94Å |
| 734 | L | 92.3 | Very high | 91.1 | Very high | 71 Ų | 71 | 32.4 Ų | 32.4 | 37% | 0.372 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.5 | -52.9 | 172 | -78.6 | 162.4 | 0 | 0 | 0 | 111.4 | V242 I730 S731 K738 | V242-L734 HydrophobicContact CB-CD2 4.21Å; V242-L734 HydrophobicContact CG1-CD2 3.85Å; V242-L734 HydrophobicContact CG1-CG 4.18Å; V242-L734 HydrophobicContact CG2-CD2 3.24Å; V242-L734 HydrophobicContact CG2-CG 3.81Å; I730-L734 HydrophobicContact CG2-CD1 3.76Å; I730-L734 HydrophobicContact CG2-CG 4.45Å; I730-L734 WeakPolarHBondContact O-CG 3.41Å; I730-L734 PolarHBondContact O-N 3.15Å; S731-L734 WeakPolarHBondContact O-CB 3.01Å; S731-L734 PolarHBondContact O-N 3.24Å; L734-K738 WeakPolarHBondContact O-CB 3.5Å; L734-K738 PolarHBondContact O-N 3.45Å |
| 735 | F | 92.7 | Very high | 91 | Very high | 49 Ų | 49 | 29.5 Ų | 29.5 | 22% | 0.215 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.7 | -50.7 | -174.6 | -64.9 | -44.9 | 0 | 0 | 0 | 112.5 | L669 L672 S731 Q732 S739 | L669-F735 HydrophobicContact CD2-CD1 3.84Å; L669-F735 HydrophobicContact CD2-CE1 4.39Å; L669-F735 WeakPolarHBondContact O-CB 3.18Å; L672-F735 HydrophobicContact CB-CD1 4.33Å; L672-F735 HydrophobicContact CB-CD2 3.83Å; L672-F735 HydrophobicContact CB-CE1 4.28Å; L672-F735 HydrophobicContact CB-CE2 3.77Å; L672-F735 HydrophobicContact CB-CG 4.14Å; L672-F735 HydrophobicContact CB-CZ 4.01Å; L672-F735 HydrophobicContact CD1-CE1 4.08Å; L672-F735 HydrophobicContact CD1-CZ 4.14Å; S731-F735 WeakPolarHBondContact O-CD2 3.43Å; S731-F735 WeakPolarHBondContact O-CG 3.48Å; S731-F735 PolarHBondContact O-N 3.15Å; Q732-F735 PolarHBondContact O-N 3.21Å; F735-S739 WeakPolarHBondContact O-CB 3.38Å; F735-S739 PolarHBondContact O-N 2.86Å |
| 736 | F | 90.4 | Very high | 91 | Very high | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.013 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73.5 | -31.6 | 177.8 | -80.5 | -64.3 | 0 | 0 | 0 | 112.9 | I670 G673 C677 Q732 G740 G789 L792 I796 | I670-F736 HydrophobicContact CG2-CE1 4.14Å; G673-F736 WeakPolarHBondContact O-CE2 3.41Å; C677-F736 WeakPolarHBondContact SG-CE2 3.44Å; Q732-F736 WeakPolarHBondContact O-CB 3.18Å; Q732-F736 PolarHBondContact O-N 3.44Å; F736-G740 PolarHBondContact O-N 3.47Å; F736-G789 WeakPolarHBondContact CD1-O 3.46Å; F736-G789 WeakPolarHBondContact CG-O 3.47Å; F736-G789 WeakPolarHBondContact O-CA 3.46Å; F736-L792 HydrophobicContact CE1-CB 4.49Å; F736-L792 HydrophobicContact CE1-CD2 4.07Å; F736-L792 HydrophobicContact CE1-CG 4.4Å; F736-I796 HydrophobicContact CZ-CD1 4.31Å |
| 737 | G | 89.5 | Confident | 91 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 6% | 0.062 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | S733 G740 G741 | S733-G737 WeakPolarHBondContact O-CA 3.23Å; S733-G737 PolarHBondContact O-N 2.94Å; G737-G740 PolarHBondContact O-N 2.8Å; G737-G741 PolarHBondContact O-N 3.43Å |
| 738 | K | 91.1 | Very high | 91 | Very high | 100 Ų | 100 | 24.6 Ų | 24.6 | 44% | 0.435 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -66.3 | -47.6 | 176.2 | -172.5 | 171.7 | -177.3 | 176.5 | 0 | 111.9 | L238 L669 L734 G740 G741 I742 | L238-K738 HydrophobicContact CD1-CB 3.98Å; L669-K738 HydrophobicContact CD1-CD 4.16Å; L669-K738 HydrophobicContact CD1-CG 4.27Å; L734-K738 WeakPolarHBondContact O-CB 3.5Å; L734-K738 PolarHBondContact O-N 3.45Å; K738-G740 VanDerWaalsContact C-N 3.33Å; K738-G740 PolarHBondContact O-N 3.31Å; K738-G741 PolarHBondContact O-N 3.1Å; K738-I742 HydrophobicContact CG-CD1 3.82Å; K738-I742 VanDerWaalsContact O-CG1 3.29Å; K738-I742 WeakPolarHBondContact O-CG1 3.38Å; K738-I742 PolarHBondContact O-N 3.09Å |
| 739 | S | 90.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | N663 F735 L743 | N663-S739 PolarHBondContact ND2-OG 2.97Å; N663-S739 PolarHBondContact OD1-OG 3.37Å; F735-S739 WeakPolarHBondContact O-CB 3.38Å; F735-S739 PolarHBondContact O-N 2.86Å; S739-L743 VanDerWaalsContact O-CB 3.28Å; S739-L743 WeakPolarHBondContact O-CB 3.04Å; S739-L743 PolarHBondContact O-N 3.48Å |
| 740 | G | 88.8 | Confident | 91.3 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 7% | 0.072 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | F736 G737 K738 L743 I744 | F736-G740 PolarHBondContact O-N 3.47Å; G737-G740 PolarHBondContact O-N 2.8Å; K738-G740 VanDerWaalsContact C-N 3.33Å; K738-G740 PolarHBondContact O-N 3.31Å; G740-L743 PolarHBondContact O-N 3.45Å; G740-I744 VanDerWaalsContact O-CG1 3.25Å; G740-I744 WeakPolarHBondContact O-CG1 3.39Å; G740-I744 PolarHBondContact O-N 3.48Å |
| 741 | G | 88.6 | Confident | 91.3 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 16% | 0.155 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | G737 K738 L743 I744 S745 | G737-G741 PolarHBondContact O-N 3.43Å; K738-G741 PolarHBondContact O-N 3.1Å; G741-L743 VanDerWaalsContact C-N 3.33Å; G741-L743 PolarHBondContact O-N 3.5Å; G741-I744 PolarHBondContact O-N 3.3Å; G741-S745 WeakPolarHBondContact O-CB 3.37Å; G741-S745 PolarHBondContact O-N 3.37Å |
| 742 | I | 90.5 | Very high | 91.5 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 16% | 0.159 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 177.3 | -66.1 | 166.6 | 0 | 0 | 0 | 110.7 | E234 E666 K738 S745 R746 | E234-I742 WeakPolarHBondContact OE1-CG1 3.43Å; E666-I742 HydrophobicContact CG-CD1 4.3Å; E666-I742 HydrophobicContact CG-CG2 4.31Å; E666-I742 WeakPolarHBondContact OE1-CG2 3.48Å; K738-I742 HydrophobicContact CG-CD1 3.82Å; K738-I742 VanDerWaalsContact O-CG1 3.29Å; K738-I742 WeakPolarHBondContact O-CG1 3.38Å; K738-I742 PolarHBondContact O-N 3.09Å; I742-S745 PolarHBondContact O-N 3.06Å; I742-R746 WeakPolarHBondContact O-CB 3.44Å; I742-R746 PolarHBondContact O-N 2.89Å |
| 743 | L | 89.8 | Confident | 91.6 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 178.5 | -178.4 | 63.4 | 0 | 0 | 0 | 111.6 | L662 N663 S739 G740 G741 R746 I747 S788 | L662-L743 HydrophobicContact CB-CD1 4.12Å; N663-L743 HydrophobicContact CB-CD1 4.12Å; N663-L743 HydrophobicContact CB-CD2 4.27Å; S739-L743 VanDerWaalsContact O-CB 3.28Å; S739-L743 WeakPolarHBondContact O-CB 3.04Å; S739-L743 PolarHBondContact O-N 3.48Å; G740-L743 PolarHBondContact O-N 3.45Å; G741-L743 VanDerWaalsContact C-N 3.33Å; G741-L743 PolarHBondContact O-N 3.5Å; L743-R746 PolarHBondContact O-N 3.1Å; L743-I747 HydrophobicContact CD1-CD1 3.94Å; L743-I747 HydrophobicContact CD1-CG1 4.19Å; L743-I747 HydrophobicContact CG-CD1 3.89Å; L743-I747 HydrophobicContact CG-CG1 4.49Å; L743-I747 WeakPolarHBondContact O-CB 3.3Å; L743-I747 VanDerWaalsContact O-CG1 3.26Å; L743-I747 WeakPolarHBondContact O-CG1 3.33Å; L743-I747 PolarHBondContact O-N 2.87Å; L743-S788 WeakPolarHBondContact CD2-OG 3.08Å |
| 744 | I | 89.9 | Confident | 91.8 | Very high | 35 Ų | 35 | 30.1 Ų | 30.1 | 18% | 0.179 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.4 | -51.9 | 175.7 | -65.2 | 160.8 | 0 | 0 | 0 | 110.3 | G740 G741 R746 I747 R748 T785 | G740-I744 VanDerWaalsContact O-CG1 3.25Å; G740-I744 WeakPolarHBondContact O-CG1 3.39Å; G740-I744 PolarHBondContact O-N 3.48Å; G741-I744 PolarHBondContact O-N 3.3Å; I744-R746 VanDerWaalsContact C-N 3.31Å; I744-R746 PolarHBondContact O-N 3.02Å; I744-I747 PolarHBondContact O-N 3.18Å; I744-R748 HydrophobicContact CG2-CG 4.41Å; I744-R748 WeakPolarHBondContact O-CB 3.46Å; I744-R748 WeakPolarHBondContact O-CG 3.49Å; I744-R748 PolarHBondContact O-N 3.18Å; I744-T785 HydrophobicContact CD1-CG2 3.52Å; I744-T785 HydrophobicContact CG1-CG2 3.13Å |
| 745 | S | 90.9 | Very high | 91.9 | Very high | 20 Ų | 20 | 26.7 Ų | 26.7 | 14% | 0.14 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.6 | -45.5 | -179.4 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | E234 G741 I742 R748 L749 | E234-S745 VanDerWaalsContact OE2-CB 3.28Å; E234-S745 WeakPolarHBondContact OE2-CB 3.37Å; E234-S745 PolarHBondContact OE2-OG 3.11Å; G741-S745 WeakPolarHBondContact O-CB 3.37Å; G741-S745 PolarHBondContact O-N 3.37Å; I742-S745 PolarHBondContact O-N 3.06Å; S745-R748 PolarHBondContact O-N 3.16Å; S745-L749 VanDerWaalsContact O-CB 3.28Å; S745-L749 WeakPolarHBondContact O-CB 3.43Å; S745-L749 PolarHBondContact O-N 3.34Å |
| 746 | R | 91.8 | Very high | 91.9 | Very high | 58 Ų | 58 | 24.5 Ų | 24.5 | 22% | 0.219 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 176.9 | -178.1 | 179 | -66.8 | 153.5 | 7.2 | 113 | L662 E666 I742 L743 I744 K750 | L662-R746 PolarHBondContact O-NH1 3.38Å; E666-R746 VanDerWaalsContact CD-NH1 3.34Å; E666-R746 IonicContact OE1-CZ 3.84Å; E666-R746 VanDerWaalsContact OE1-CZ 3.28Å; E666-R746 IonicContact OE1-NH1 3.31Å; E666-R746 PolarHBondContact OE1-NH1 2.9Å; E666-R746 VanDerWaalsContact OE1-NH1 3.12Å; E666-R746 IonicContact OE1-NH2 3.97Å; E666-R746 PolarHBondContact OE1-NH2 3.13Å; E666-R746 IonicContact OE2-CZ 3.2Å; E666-R746 IonicContact OE2-NH1 2.91Å; E666-R746 PolarHBondContact OE2-NH1 3.48Å; E666-R746 IonicContact OE2-NH2 2.78Å; I742-R746 WeakPolarHBondContact O-CB 3.44Å; I742-R746 PolarHBondContact O-N 2.89Å; L743-R746 PolarHBondContact O-N 3.1Å; I744-R746 VanDerWaalsContact C-N 3.31Å; I744-R746 PolarHBondContact O-N 3.02Å; R746-K750 HydrophobicContact CG-CD 4.36Å; R746-K750 WeakPolarHBondContact O-CB 3.24Å; R746-K750 WeakPolarHBondContact O-CG 3.36Å; R746-K750 PolarHBondContact O-N 3.09Å |
| 747 | I | 91.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -49.1 | 177.7 | -72.7 | 171.2 | 0 | 0 | 0 | 109.5 | I659 L662 L743 I744 L749 K750 V751 A781 V784 I965 | I659-I747 HydrophobicContact CG2-CD1 3.99Å; L662-I747 HydrophobicContact CD1-CG1 4.41Å; L743-I747 HydrophobicContact CD1-CD1 3.94Å; L743-I747 HydrophobicContact CD1-CG1 4.19Å; L743-I747 HydrophobicContact CG-CD1 3.89Å; L743-I747 HydrophobicContact CG-CG1 4.49Å; L743-I747 WeakPolarHBondContact O-CB 3.3Å; L743-I747 VanDerWaalsContact O-CG1 3.26Å; L743-I747 WeakPolarHBondContact O-CG1 3.33Å; L743-I747 PolarHBondContact O-N 2.87Å; I744-I747 PolarHBondContact O-N 3.18Å; I747-L749 VanDerWaalsContact C-N 3.35Å; I747-L749 PolarHBondContact O-N 2.67Å; I747-K750 PolarHBondContact O-N 3.32Å; I747-V751 HydrophobicContact CG2-CG2 4.12Å; I747-V751 VanDerWaalsContact O-CB 3.29Å; I747-V751 WeakPolarHBondContact O-CB 3.29Å; I747-V751 WeakPolarHBondContact O-CG2 3.15Å; I747-V751 PolarHBondContact O-N 2.91Å; I747-A781 HydrophobicContact CG2-CB 4.16Å; I747-V784 HydrophobicContact CD1-CG1 3.7Å; I747-I965 HydrophobicContact CG2-CD1 3.82Å; I747-I965 HydrophobicContact CG2-CG2 4.12Å |
| 748 | R | 93.7 | Very high | 92.1 | Very high | 18 Ų | 18 | 27.1 Ų | 27.1 | 7% | 0.068 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -46.6 | 178.2 | -74.5 | -179.5 | 173 | 156.3 | -2.6 | 111.6 | Y226 L230 I744 S745 V751 F752 L777 A778 A781 | Y226-R748 HydrophobicContact CE1-CB 4.29Å; L230-R748 HydrophobicContact CD1-CB 3.92Å; L230-R748 HydrophobicContact CD2-CB 4.22Å; I744-R748 HydrophobicContact CG2-CG 4.41Å; I744-R748 WeakPolarHBondContact O-CB 3.46Å; I744-R748 WeakPolarHBondContact O-CG 3.49Å; I744-R748 PolarHBondContact O-N 3.18Å; S745-R748 PolarHBondContact O-N 3.16Å; R748-V751 PolarHBondContact O-N 3.08Å; R748-F752 WeakPolarHBondContact O-CB 3.46Å; R748-F752 PolarHBondContact O-N 3.36Å; R748-L777 HydrophobicContact CB-CD1 3.99Å; R748-L777 HydrophobicContact CG-CD1 4.08Å; R748-L777 HydrophobicContact CG-CG 4.4Å; R748-L777 PolarHBondContact NE-O 3.14Å; R748-L777 WeakPolarHBondContact O-CD1 3.2Å; R748-A778 PolarHBondContact NH2-O 2.93Å; R748-A778 VanDerWaalsContact NH2-O 3.16Å; R748-A781 HydrophobicContact CG-CB 3.62Å |
| 749 | L | 94.2 | Very high | 92 | Very high | 24 Ų | 24 | 23 Ų | 23 | 13% | 0.126 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.7 | -48.2 | 178.2 | -173.1 | 66.9 | 0 | 0 | 0 | 112 | L223 Y226 R227 L230 S745 I747 F752 E753 | L223-L749 HydrophobicContact CD1-CD1 4.02Å; L223-L749 HydrophobicContact CG-CD1 4.02Å; Y226-L749 HydrophobicContact CD1-CD1 4.49Å; R227-L749 HydrophobicContact CB-CD1 3.87Å; R227-L749 HydrophobicContact CG-CD1 4.24Å; R227-L749 HydrophobicContact CG-CD2 4.17Å; L230-L749 HydrophobicContact CD1-CB 4.34Å; S745-L749 VanDerWaalsContact O-CB 3.28Å; S745-L749 WeakPolarHBondContact O-CB 3.43Å; S745-L749 PolarHBondContact O-N 3.34Å; I747-L749 VanDerWaalsContact C-N 3.35Å; I747-L749 PolarHBondContact O-N 2.67Å; L749-F752 PolarHBondContact O-N 3.5Å; L749-E753 VanDerWaalsContact O-CB 3.24Å; L749-E753 WeakPolarHBondContact O-CB 3.32Å; L749-E753 PolarHBondContact O-N 3.42Å |
| 750 | K | 93.5 | Very high | 92 | Very high | 87 Ų | 87 | 23.1 Ų | 23.1 | 38% | 0.378 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -66.6 | -37.9 | 179.7 | -75.9 | -169.6 | 172.5 | -162.8 | 0 | 113.1 | R746 I747 S754 L969 | R746-K750 HydrophobicContact CG-CD 4.36Å; R746-K750 WeakPolarHBondContact O-CB 3.24Å; R746-K750 WeakPolarHBondContact O-CG 3.36Å; R746-K750 PolarHBondContact O-N 3.09Å; I747-K750 PolarHBondContact O-N 3.32Å; K750-S754 WeakPolarHBondContact O-CB 3.49Å; K750-S754 PolarHBondContact O-N 3.04Å; K750-L969 HydrophobicContact CB-CD2 3.86Å; K750-L969 WeakPolarHBondContact O-CD2 3.47Å |
| 751 | V | 93.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.03 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.8 | -45.9 | 177.4 | 169.5 | 0 | 0 | 0 | 0 | 109.8 | I747 R748 S754 M755 L777 I965 I968 L969 | I747-V751 HydrophobicContact CG2-CG2 4.12Å; I747-V751 VanDerWaalsContact O-CB 3.29Å; I747-V751 WeakPolarHBondContact O-CB 3.29Å; I747-V751 WeakPolarHBondContact O-CG2 3.15Å; I747-V751 PolarHBondContact O-N 2.91Å; R748-V751 PolarHBondContact O-N 3.08Å; V751-S754 PolarHBondContact O-N 3.19Å; V751-M755 HydrophobicContact CG1-CE 3.38Å; V751-M755 HydrophobicContact CG1-SD 4.09Å; V751-M755 VanDerWaalsContact O-CG 3.25Å; V751-M755 WeakPolarHBondContact O-CG 3.33Å; V751-M755 PolarHBondContact O-N 2.86Å; V751-L777 HydrophobicContact CB-CD1 4.15Å; V751-L777 HydrophobicContact CG1-CD1 4Å; V751-I965 HydrophobicContact CG2-CG1 4.49Å; V751-I965 HydrophobicContact CG2-CG2 3.65Å; V751-I968 HydrophobicContact CG1-CG2 4.36Å; V751-L969 HydrophobicContact CG2-CD1 4.33Å; V751-L969 HydrophobicContact CG2-CD2 4.02Å; V751-L969 HydrophobicContact CG2-CG 4.08Å |
| 752 | F | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.4 | -43.1 | 175.4 | -171.1 | -114.6 | 0 | 0 | 0 | 111.7 | A203 V206 L207 L223 Y226 R748 L749 S754 M755 L756 L777 | A203-F752 HydrophobicContact CB-CD2 4.39Å; A203-F752 HydrophobicContact CB-CE2 3.96Å; V206-F752 HydrophobicContact CB-CZ 4.11Å; V206-F752 HydrophobicContact CG1-CE2 4.45Å; V206-F752 HydrophobicContact CG1-CZ 3.86Å; L207-F752 HydrophobicContact CG-CE2 4.41Å; L223-F752 HydrophobicContact CD1-CD1 4.28Å; Y226-F752 HydrophobicContact CD1-CB 3.99Å; Y226-F752 AromaticContact CD1-CD1 3.43Å; Y226-F752 HydrophobicContact CD1-CD1 3.43Å; Y226-F752 VanDerWaalsContact CD1-CD1 3.43Å; Y226-F752 HydrophobicContact CD1-CE1 4Å; Y226-F752 AromaticContact CD1-CG 3.78Å; Y226-F752 HydrophobicContact CD1-CG 3.78Å; Y226-F752 HydrophobicContact CE1-CB 3.83Å; Y226-F752 HydrophobicContact CE1-CD1 4.11Å; Y226-F752 AromaticContact CE1-CG 3.97Å; Y226-F752 HydrophobicContact CE1-CG 3.97Å; Y226-F752 AromaticContact CG-CD1 3.79Å; Y226-F752 HydrophobicContact CG-CD1 3.79Å; Y226-F752 AromaticContact CG-CE1 3.85Å; Y226-F752 HydrophobicContact CG-CE1 3.85Å; Y226-F752 HydrophobicContact CG-CG 4.34Å; Y226-F752 HydrophobicContact CG-CZ 4.47Å; R748-F752 WeakPolarHBondContact O-CB 3.46Å; R748-F752 PolarHBondContact O-N 3.36Å; L749-F752 PolarHBondContact O-N 3.5Å; F752-S754 PolarHBondContact O-N 3.13Å; F752-M755 WeakPolarHBondContact O-CB 3.41Å; F752-M755 PolarHBondContact O-N 3.45Å; F752-L756 HydrophobicContact CD1-CD1 3.95Å; F752-L756 HydrophobicContact CD1-CG 4.45Å; F752-L756 HydrophobicContact CE1-CD1 3.64Å; F752-L756 HydrophobicContact CE1-CG 4.25Å; F752-L756 HydrophobicContact CZ-CD1 4.11Å; F752-L756 HydrophobicContact CZ-CD2 4.25Å; F752-L756 HydrophobicContact CZ-CG 4.34Å; F752-L756 WeakPolarHBondContact O-CG 3.48Å; F752-L756 PolarHBondContact O-N 2.85Å; F752-L777 HydrophobicContact CB-CD1 4.42Å; F752-L777 HydrophobicContact CB-CD2 4.39Å; F752-L777 HydrophobicContact CD2-CD2 4.06Å |
| 753 | E | 95 | Very high | 92.1 | Very high | 84 Ų | 84 | 22.1 Ų | 22.1 | 39% | 0.393 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 172.2 | -171.7 | 176.1 | -170 | 0 | 0 | 112.1 | L223 L749 M755 L756 N757 | L223-E753 HydrophobicContact CD1-CB 3.52Å; L223-E753 HydrophobicContact CD1-CG 3.92Å; L749-E753 VanDerWaalsContact O-CB 3.24Å; L749-E753 WeakPolarHBondContact O-CB 3.32Å; L749-E753 PolarHBondContact O-N 3.42Å; E753-M755 VanDerWaalsContact C-N 3.34Å; E753-M755 PolarHBondContact O-N 3.34Å; E753-L756 PolarHBondContact O-N 3.48Å; E753-N757 PolarHBondContact O-N 3.41Å; E753-N757 VanDerWaalsContact O-N 3.16Å; E753-N757 PolarHBondContact O-ND2 2.65Å |
| 754 | S | 93.2 | Very high | 91.9 | Very high | 16 Ų | 16 | 24.1 Ų | 24.1 | 11% | 0.112 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 177.1 | -167.8 | 0 | 0 | 0 | 0 | 111.4 | K750 V751 F752 N757 Q758 I968 | K750-S754 WeakPolarHBondContact O-CB 3.49Å; K750-S754 PolarHBondContact O-N 3.04Å; V751-S754 PolarHBondContact O-N 3.19Å; F752-S754 PolarHBondContact O-N 3.13Å; S754-N757 PolarHBondContact O-N 3.4Å; S754-Q758 VanDerWaalsContact O-CG 3.28Å; S754-Q758 WeakPolarHBondContact O-CG 3.34Å; S754-Q758 PolarHBondContact O-N 3.08Å; S754-Q758 PolarHBondContact O-NE2 2.88Å; S754-Q758 PolarHBondContact OG-NE2 2.92Å; S754-I968 PolarHBondContact OG-O 3.44Å |
| 755 | M | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -51.5 | 175.4 | -70.8 | 166.6 | 178.2 | 0 | 0 | 110.9 | V751 F752 E753 N757 Q758 W762 F763 L773 I968 | V751-M755 HydrophobicContact CG1-CE 3.38Å; V751-M755 HydrophobicContact CG1-SD 4.09Å; V751-M755 VanDerWaalsContact O-CG 3.25Å; V751-M755 WeakPolarHBondContact O-CG 3.33Å; V751-M755 PolarHBondContact O-N 2.86Å; F752-M755 WeakPolarHBondContact O-CB 3.41Å; F752-M755 PolarHBondContact O-N 3.45Å; E753-M755 VanDerWaalsContact C-N 3.34Å; E753-M755 PolarHBondContact O-N 3.34Å; M755-N757 PolarHBondContact O-N 2.92Å; M755-Q758 WeakPolarHBondContact O-CB 3.19Å; M755-Q758 WeakPolarHBondContact O-CG 3.33Å; M755-Q758 PolarHBondContact O-N 3.32Å; M755-W762 HydrophobicContact CB-CZ3 4.4Å; M755-W762 HydrophobicContact CG-CH2 4.04Å; M755-W762 HydrophobicContact CG-CZ3 4.19Å; M755-F763 WeakPolarHBondContact O-CZ 3.31Å; M755-L773 HydrophobicContact CE-CB 4.23Å; M755-L773 HydrophobicContact CE-CD2 4.13Å; M755-L773 HydrophobicContact SD-CB 4.39Å; M755-I968 HydrophobicContact CE-CD1 3.8Å; M755-I968 HydrophobicContact CE-CG2 4.49Å; M755-I968 HydrophobicContact CG-CG2 4.04Å |
| 756 | L | 93 | Very high | 91.1 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.6 | -27.6 | -179.7 | -67.5 | 179.4 | 0 | 0 | 0 | 113.6 | V206 I210 E219 L223 F752 E753 Q758 | V206-L756 HydrophobicContact CG1-CD2 3.6Å; I210-L756 HydrophobicContact CD1-CD2 3.84Å; E219-L756 HydrophobicContact CB-CB 4.33Å; L223-L756 HydrophobicContact CB-CD1 4.39Å; L223-L756 HydrophobicContact CD1-CD1 4.41Å; F752-L756 HydrophobicContact CD1-CD1 3.95Å; F752-L756 HydrophobicContact CD1-CG 4.45Å; F752-L756 HydrophobicContact CE1-CD1 3.64Å; F752-L756 HydrophobicContact CE1-CG 4.25Å; F752-L756 HydrophobicContact CZ-CD1 4.11Å; F752-L756 HydrophobicContact CZ-CD2 4.25Å; F752-L756 HydrophobicContact CZ-CG 4.34Å; F752-L756 WeakPolarHBondContact O-CG 3.48Å; F752-L756 PolarHBondContact O-N 2.85Å; E753-L756 PolarHBondContact O-N 3.48Å; L756-Q758 VanDerWaalsContact C-N 3.34Å |
| 757 | N | 91.4 | Very high | 90.7 | Very high | 57 Ų | 57 | 31.2 Ų | 31.2 | 31% | 0.305 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -5.5 | 177 | -74.1 | -49.5 | 0 | 0 | 0 | 113.9 | E753 S754 M755 P973 | E753-N757 PolarHBondContact O-N 3.41Å; E753-N757 VanDerWaalsContact O-N 3.16Å; E753-N757 PolarHBondContact O-ND2 2.65Å; S754-N757 PolarHBondContact O-N 3.4Å; M755-N757 PolarHBondContact O-N 2.92Å; N757-P973 WeakPolarHBondContact O-CB 3.42Å |
| 758 | Q | 92.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -73.5 | 150.8 | 175.6 | -56 | -54 | -45.7 | 0 | 0 | 111.5 | S754 M755 L756 W762 F763 R971 | S754-Q758 VanDerWaalsContact O-CG 3.28Å; S754-Q758 WeakPolarHBondContact O-CG 3.34Å; S754-Q758 PolarHBondContact O-N 3.08Å; S754-Q758 PolarHBondContact O-NE2 2.88Å; S754-Q758 PolarHBondContact OG-NE2 2.92Å; M755-Q758 WeakPolarHBondContact O-CB 3.19Å; M755-Q758 WeakPolarHBondContact O-CG 3.33Å; M755-Q758 PolarHBondContact O-N 3.32Å; L756-Q758 VanDerWaalsContact C-N 3.34Å; Q758-W762 HydrophobicContact CB-CB 3.96Å; Q758-W762 HydrophobicContact CB-CD2 3.93Å; Q758-W762 HydrophobicContact CB-CE3 3.73Å; Q758-W762 HydrophobicContact CB-CG 4.07Å; Q758-W762 HydrophobicContact CG-CD2 3.81Å; Q758-W762 HydrophobicContact CG-CE3 3.73Å; Q758-W762 HydrophobicContact CG-CG 4.23Å; Q758-W762 HydrophobicContact CG-CZ3 4.17Å; Q758-F763 HydrophobicContact CB-CE2 4.04Å; Q758-R971 PolarHBondContact NE2-O 3.09Å |
| 759 | E | 90.5 | Very high | 90.2 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | trans | -68 | 155.8 | 171.7 | 71.8 | -73.6 | 171.2 | 0 | 0 | 112.2 | G761 W762 F763 R971 P973 L974 I975 | E759-G761 PolarHBondContact O-N 2.87Å; E759-W762 VanDerWaalsContact O-CB 3.29Å; E759-W762 WeakPolarHBondContact O-CB 3.42Å; E759-W762 PolarHBondContact O-N 3.11Å; E759-F763 WeakPolarHBondContact O-CD2 3.39Å; E759-R971 IonicContact OE1-CZ 3.28Å; E759-R971 VanDerWaalsContact OE1-CZ 3.25Å; E759-R971 IonicContact OE1-NH1 2.63Å; E759-R971 PolarHBondContact OE1-NH1 3.04Å; E759-R971 IonicContact OE1-NH2 3.8Å; E759-R971 PolarHBondContact OE1-NH2 3.49Å; E759-R971 IonicContact OE2-NH1 2.62Å; E759-R971 PolarHBondContact OE2-NH1 3.49Å; E759-P973 VanDerWaalsContact OE2-CA 3.22Å; E759-P973 WeakPolarHBondContact OE2-CA 3.45Å; E759-P973 WeakPolarHBondContact OE2-CB 3.21Å; E759-L974 HydrophobicContact CG-CB 4.37Å; E759-L974 PolarHBondContact OE2-N 2.99Å; E759-I975 HydrophobicContact CB-CB 4.07Å; E759-I975 HydrophobicContact CB-CD1 4.39Å; E759-I975 HydrophobicContact CB-CG1 4.34Å | ||
| 760 | V | 90.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.4 | -36.7 | -178.8 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | R211 V214 W762 F763 D764 F1042 | R211-V760 HydrophobicContact CG-CG1 3.83Å; V214-V760 HydrophobicContact CG1-CG2 4.4Å; V760-W762 PolarHBondContact O-N 3.38Å; V760-F763 WeakPolarHBondContact O-CB 3.15Å; V760-F763 PolarHBondContact O-N 2.85Å; V760-D764 PolarHBondContact O-N 3.31Å; V760-F1042 HydrophobicContact CB-CB 4.05Å; V760-F1042 HydrophobicContact CB-CG 4.29Å; V760-F1042 HydrophobicContact CG2-CB 3.94Å; V760-F1042 HydrophobicContact CG2-CD1 3.7Å; V760-F1042 HydrophobicContact CG2-CD2 4.23Å; V760-F1042 HydrophobicContact CG2-CE1 4.19Å; V760-F1042 HydrophobicContact CG2-CG 3.71Å |
| 761 | G | 87.4 | Confident | 89.3 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -15.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | E759 | E759-G761 PolarHBondContact O-N 2.87Å |
| 762 | W | 91.2 | Very high | 89.1 | Confident | 12 Ų | 12 | 35.8 Ų | 35.8 | 5% | 0.045 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -76.7 | -37 | 170.3 | -176.7 | 71 | 0 | 0 | 0 | 112.4 | M755 Q758 E759 V760 D764 K765 N768 L773 I968 R971 | M755-W762 HydrophobicContact CB-CZ3 4.4Å; M755-W762 HydrophobicContact CG-CH2 4.04Å; M755-W762 HydrophobicContact CG-CZ3 4.19Å; Q758-W762 HydrophobicContact CB-CB 3.96Å; Q758-W762 HydrophobicContact CB-CD2 3.93Å; Q758-W762 HydrophobicContact CB-CE3 3.73Å; Q758-W762 HydrophobicContact CB-CG 4.07Å; Q758-W762 HydrophobicContact CG-CD2 3.81Å; Q758-W762 HydrophobicContact CG-CE3 3.73Å; Q758-W762 HydrophobicContact CG-CG 4.23Å; Q758-W762 HydrophobicContact CG-CZ3 4.17Å; E759-W762 VanDerWaalsContact O-CB 3.29Å; E759-W762 WeakPolarHBondContact O-CB 3.42Å; E759-W762 PolarHBondContact O-N 3.11Å; V760-W762 PolarHBondContact O-N 3.38Å; W762-D764 VanDerWaalsContact C-N 3.32Å; W762-K765 PolarHBondContact O-N 3.42Å; W762-N768 HydrophobicContact CD2-CB 4.37Å; W762-N768 HydrophobicContact CE3-CB 4.36Å; W762-N768 HydrophobicContact CH2-CB 4.37Å; W762-N768 HydrophobicContact CZ2-CB 4.36Å; W762-N768 WeakPolarHBondContact CZ2-OD1 3.45Å; W762-N768 HydrophobicContact CZ3-CB 4.37Å; W762-N768 PolarHBondContact NE1-ND2 3.29Å; W762-N768 WeakPolarHBondContact O-CB 3.46Å; W762-N768 PolarHBondContact O-ND2 3.41Å; W762-L773 HydrophobicContact CH2-CD1 3.86Å; W762-L773 HydrophobicContact CH2-CD2 3.58Å; W762-L773 HydrophobicContact CH2-CG 4.4Å; W762-L773 HydrophobicContact CZ2-CD2 4.35Å; W762-L773 HydrophobicContact CZ3-CD1 3.57Å; W762-L773 HydrophobicContact CZ3-CD2 4.19Å; W762-I968 HydrophobicContact CZ2-CG1 4.39Å; W762-R971 VanDerWaalsContact CD1-NE 3.25Å |
| 763 | F | 91.3 | Very high | 88.9 | Confident | 17 Ų | 17 | 35.8 Ų | 35.8 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -74.1 | -23.8 | 178.8 | -66.2 | -84.4 | 0 | 0 | 0 | 112.7 | L207 I210 M755 Q758 E759 V760 K765 L773 | L207-F763 HydrophobicContact CD2-CE1 3.8Å; I210-F763 HydrophobicContact CD1-CE2 4.23Å; I210-F763 HydrophobicContact CD1-CZ 3.93Å; I210-F763 HydrophobicContact CG1-CD1 4.41Å; I210-F763 HydrophobicContact CG1-CD2 4.03Å; I210-F763 HydrophobicContact CG1-CE1 4.08Å; I210-F763 HydrophobicContact CG1-CE2 3.67Å; I210-F763 HydrophobicContact CG1-CG 4.37Å; I210-F763 HydrophobicContact CG1-CZ 3.67Å; I210-F763 HydrophobicContact CG2-CB 4.36Å; I210-F763 HydrophobicContact CG2-CD1 4.29Å; I210-F763 HydrophobicContact CG2-CD2 4.39Å; I210-F763 HydrophobicContact CG2-CG 4.11Å; M755-F763 WeakPolarHBondContact O-CZ 3.31Å; Q758-F763 HydrophobicContact CB-CE2 4.04Å; E759-F763 WeakPolarHBondContact O-CD2 3.39Å; V760-F763 WeakPolarHBondContact O-CB 3.15Å; V760-F763 PolarHBondContact O-N 2.85Å; F763-K765 PolarHBondContact O-N 3.49Å; F763-L773 HydrophobicContact CD1-CD1 3.88Å; F763-L773 HydrophobicContact CE1-CD1 3.81Å |
| 764 | D | 86.2 | Confident | 88.6 | Confident | 42 Ų | 42 | 32.8 Ų | 32.8 | 23% | 0.225 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -15.8 | 175.5 | -61 | -30.3 | 0 | 0 | 0 | 112.9 | R211 V760 W762 Y1043 | R211-D764 IonicContact CZ-OD1 2.65Å; R211-D764 IonicContact NH2-OD1 2.79Å; R211-D764 PolarHBondContact NH2-OD1 3.2Å; V760-D764 PolarHBondContact O-N 3.31Å; W762-D764 VanDerWaalsContact C-N 3.32Å; D764-Y1043 VanDerWaalsContact OD2-CE1 3.31Å; D764-Y1043 WeakPolarHBondContact OD2-CE1 3.24Å; D764-Y1043 PolarHBondContact OD2-OH 2.97Å |
| 765 | K | 84.4 | Confident | 88.2 | Confident | 81 Ų | 81 | 34 Ų | 34 | 35% | 0.352 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -70.1 | 137.3 | 177.2 | -64.6 | -173.5 | 176.3 | -167.4 | 0 | 110.3 | W762 F763 E767 N768 | W762-K765 PolarHBondContact O-N 3.42Å; F763-K765 PolarHBondContact O-N 3.49Å; K765-E767 PolarHBondContact O-N 2.96Å; K765-E767 VanDerWaalsContact O-N 3.08Å; K765-N768 PolarHBondContact O-N 3.11Å |
| 766 | P | 79.1 | Confident | 87.9 | Confident | 63 Ų | 63 | 36.7 Ų | 36.7 | 41% | 0.409 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -59.1 | -28.3 | -179.1 | 21.5 | -32.8 | 0 | 0 | 0 | 113.5 | N768 Q769 I772 | P766-N768 PolarHBondContact O-N 2.96Å; P766-Q769 WeakPolarHBondContact O-CG 3.37Å; P766-I772 VanDerWaalsContact O-CD1 3.29Å; P766-I772 WeakPolarHBondContact O-CD1 3.44Å |
| 767 | E | 83.3 | Confident | 87.8 | Confident | 118 Ų | 118 | 36.7 Ų | 36.7 | 55% | 0.551 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -69.8 | -15.2 | 176.7 | -58.6 | 178.7 | -178.1 | 0 | 0 | 114.6 | K765 K776 | K765-E767 PolarHBondContact O-N 2.96Å; K765-E767 VanDerWaalsContact O-N 3.08Å; E767-K776 PolarHBondContact O-NZ 3.36Å |
| 768 | N | 88.9 | Confident | 87.5 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -120.3 | 22.4 | -172.6 | -59.3 | -35.7 | 0 | 0 | 0 | 112.5 | W762 K765 P766 L773 | W762-N768 HydrophobicContact CD2-CB 4.37Å; W762-N768 HydrophobicContact CE3-CB 4.36Å; W762-N768 HydrophobicContact CH2-CB 4.37Å; W762-N768 HydrophobicContact CZ2-CB 4.36Å; W762-N768 WeakPolarHBondContact CZ2-OD1 3.45Å; W762-N768 HydrophobicContact CZ3-CB 4.37Å; W762-N768 PolarHBondContact NE1-ND2 3.29Å; W762-N768 WeakPolarHBondContact O-CB 3.46Å; W762-N768 PolarHBondContact O-ND2 3.41Å; K765-N768 PolarHBondContact O-N 3.11Å; P766-N768 PolarHBondContact O-N 2.96Å; N768-L773 HydrophobicContact CB-CD1 4.28Å; N768-L773 HydrophobicContact CB-CD2 4.19Å; N768-L773 HydrophobicContact CB-CG 4.42Å; N768-L773 WeakPolarHBondContact O-CD1 3.4Å; N768-L773 WeakPolarHBondContact O-CG 3.48Å |
| 769 | Q | 85 | Confident | 87.3 | Confident | 106 Ų | 106 | 38.6 Ų | 38.6 | 50% | 0.495 | 22% | 0.219 | S | C | . | . | trans | -57.5 | 145.7 | 171.4 | -68.9 | 177.9 | -3.6 | 0 | 0 | 110.7 | P766 G771 I772 L773 | P766-Q769 WeakPolarHBondContact O-CG 3.37Å; Q769-G771 VanDerWaalsContact C-N 3.28Å; Q769-G771 PolarHBondContact O-N 3.22Å; Q769-G771 VanDerWaalsContact O-N 3.13Å; Q769-I772 HydrophobicContact CB-CD1 4.02Å; Q769-I772 HydrophobicContact CB-CG1 4.45Å; Q769-I772 PolarHBondContact O-N 3.2Å; Q769-L773 PolarHBondContact O-N 3.17Å; Q769-L773 VanDerWaalsContact O-N 3.1Å | ||
| 770 | P | 86.5 | Confident | 87.1 | Confident | 37 Ų | 37 | 38.8 Ų | 38.8 | 24% | 0.24 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -49.4 | -44.3 | -174.9 | -31.1 | 36.3 | 0 | 0 | 0 | 114.4 | L207 E208 I772 L773 A774 | L207-P770 HydrophobicContact CB-CB 3.82Å; L207-P770 HydrophobicContact CB-CG 4.5Å; L207-P770 WeakPolarHBondContact O-CG 3.48Å; E208-P770 HydrophobicContact CG-CB 3.89Å; E208-P770 HydrophobicContact CG-CG 4.35Å; P770-I772 PolarHBondContact O-N 3.04Å; P770-L773 PolarHBondContact O-N 3.05Å; P770-A774 WeakPolarHBondContact O-CB 3.48Å; P770-A774 PolarHBondContact O-N 3.39Å |
| 771 | G | 84.1 | Confident | 86.8 | Confident | 49 Ų | 49 | 38.8 Ų | 38.8 | 51% | 0.505 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.7 | -37.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q769 A775 | Q769-G771 VanDerWaalsContact C-N 3.28Å; Q769-G771 PolarHBondContact O-N 3.22Å; Q769-G771 VanDerWaalsContact O-N 3.13Å; G771-A775 WeakPolarHBondContact O-CB 3.47Å; G771-A775 PolarHBondContact O-N 3.33Å |
| 772 | I | 88.1 | Confident | 86.7 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.1 | -42.9 | 177.2 | -60 | 164.1 | 0 | 0 | 0 | 110 | Y632 P766 Q769 P770 A775 K776 | Y632-I772 HydrophobicContact CE2-CD1 4.08Å; Y632-I772 HydrophobicContact CE2-CG1 4.38Å; Y632-I772 WeakPolarHBondContact OH-CD1 3.35Å; P766-I772 VanDerWaalsContact O-CD1 3.29Å; P766-I772 WeakPolarHBondContact O-CD1 3.44Å; Q769-I772 HydrophobicContact CB-CD1 4.02Å; Q769-I772 HydrophobicContact CB-CG1 4.45Å; Q769-I772 PolarHBondContact O-N 3.2Å; P770-I772 PolarHBondContact O-N 3.04Å; I772-A775 PolarHBondContact O-N 3.29Å; I772-K776 HydrophobicContact CG2-CD 4.22Å; I772-K776 HydrophobicContact CG2-CG 4.45Å; I772-K776 WeakPolarHBondContact O-CG 3.44Å; I772-K776 PolarHBondContact O-N 2.96Å |
| 773 | L | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 178.4 | -64.5 | -177.2 | 0 | 0 | 0 | 111.6 | L207 M755 W762 F763 N768 Q769 P770 A775 K776 L777 | L207-L773 HydrophobicContact CD1-CB 3.86Å; L207-L773 HydrophobicContact CD2-CD1 4.16Å; M755-L773 HydrophobicContact CE-CB 4.23Å; M755-L773 HydrophobicContact CE-CD2 4.13Å; M755-L773 HydrophobicContact SD-CB 4.39Å; W762-L773 HydrophobicContact CH2-CD1 3.86Å; W762-L773 HydrophobicContact CH2-CD2 3.58Å; W762-L773 HydrophobicContact CH2-CG 4.4Å; W762-L773 HydrophobicContact CZ2-CD2 4.35Å; W762-L773 HydrophobicContact CZ3-CD1 3.57Å; W762-L773 HydrophobicContact CZ3-CD2 4.19Å; F763-L773 HydrophobicContact CD1-CD1 3.88Å; F763-L773 HydrophobicContact CE1-CD1 3.81Å; N768-L773 HydrophobicContact CB-CD1 4.28Å; N768-L773 HydrophobicContact CB-CD2 4.19Å; N768-L773 HydrophobicContact CB-CG 4.42Å; N768-L773 WeakPolarHBondContact O-CD1 3.4Å; N768-L773 WeakPolarHBondContact O-CG 3.48Å; Q769-L773 PolarHBondContact O-N 3.17Å; Q769-L773 VanDerWaalsContact O-N 3.1Å; P770-L773 PolarHBondContact O-N 3.05Å; L773-A775 VanDerWaalsContact C-N 3.34Å; L773-A775 PolarHBondContact O-N 3.21Å; L773-K776 HydrophobicContact CD2-CD 4.4Å; L773-K776 PolarHBondContact O-N 3.2Å; L773-L777 WeakPolarHBondContact O-CB 3.45Å; L773-L777 PolarHBondContact O-N 3.31Å |
| 774 | A | 89.2 | Confident | 85.8 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L207 P770 L777 A778 | L207-A774 HydrophobicContact CD1-CB 4.45Å; P770-A774 WeakPolarHBondContact O-CB 3.48Å; P770-A774 PolarHBondContact O-N 3.39Å; A774-L777 PolarHBondContact O-N 2.86Å; A774-A778 PolarHBondContact O-N 3.3Å |
| 775 | A | 85.9 | Confident | 85.3 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G771 I772 L773 A778 N779 | G771-A775 WeakPolarHBondContact O-CB 3.47Å; G771-A775 PolarHBondContact O-N 3.33Å; I772-A775 PolarHBondContact O-N 3.29Å; L773-A775 VanDerWaalsContact C-N 3.34Å; L773-A775 PolarHBondContact O-N 3.21Å; A775-A778 PolarHBondContact O-N 3Å; A775-N779 WeakPolarHBondContact O-CB 3.41Å; A775-N779 PolarHBondContact O-N 3.31Å |
| 776 | K | 87.6 | Confident | 84.9 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 173.2 | -76.1 | 174 | 178.5 | 168.1 | 0 | 110.7 | E767 I772 L773 A778 D780 I968 | E767-K776 PolarHBondContact O-NZ 3.36Å; I772-K776 HydrophobicContact CG2-CD 4.22Å; I772-K776 HydrophobicContact CG2-CG 4.45Å; I772-K776 WeakPolarHBondContact O-CG 3.44Å; I772-K776 PolarHBondContact O-N 2.96Å; L773-K776 HydrophobicContact CD2-CD 4.4Å; L773-K776 PolarHBondContact O-N 3.2Å; K776-A778 VanDerWaalsContact C-N 3.3Å; K776-A778 PolarHBondContact O-N 3.42Å; K776-D780 VanDerWaalsContact O-CB 3.32Å; K776-D780 WeakPolarHBondContact O-CB 3.35Å; K776-D780 PolarHBondContact O-N 3.35Å; K776-I968 HydrophobicContact CD-CD1 4.46Å |
| 777 | L | 89.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -35.4 | 178.3 | -167.5 | 64.4 | 0 | 0 | 0 | 112.8 | A203 Y226 R748 V751 F752 L773 A774 A781 | A203-L777 HydrophobicContact CB-CD2 3.86Å; Y226-L777 HydrophobicContact CE1-CD2 4.18Å; Y226-L777 HydrophobicContact CE2-CD2 4.21Å; Y226-L777 WeakPolarHBondContact OH-CD2 3.49Å; Y226-L777 WeakPolarHBondContact OH-CG 3.32Å; R748-L777 HydrophobicContact CB-CD1 3.99Å; R748-L777 HydrophobicContact CG-CD1 4.08Å; R748-L777 HydrophobicContact CG-CG 4.4Å; R748-L777 PolarHBondContact NE-O 3.14Å; R748-L777 WeakPolarHBondContact O-CD1 3.2Å; V751-L777 HydrophobicContact CB-CD1 4.15Å; V751-L777 HydrophobicContact CG1-CD1 4Å; F752-L777 HydrophobicContact CB-CD1 4.42Å; F752-L777 HydrophobicContact CB-CD2 4.39Å; F752-L777 HydrophobicContact CD2-CD2 4.06Å; L773-L777 WeakPolarHBondContact O-CB 3.45Å; L773-L777 PolarHBondContact O-N 3.31Å; A774-L777 PolarHBondContact O-N 2.86Å; L777-A781 VanDerWaalsContact O-CB 3.31Å; L777-A781 WeakPolarHBondContact O-CB 3.38Å |
| 778 | A | 86.8 | Confident | 84.5 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.5 | -56.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y196 R748 A774 A775 K776 | Y196-A778 HydrophobicContact CE1-CB 3.64Å; Y196-A778 WeakPolarHBondContact OH-CA 3.33Å; Y196-A778 WeakPolarHBondContact OH-CB 3.36Å; Y196-A778 PolarHBondContact OH-N 2.65Å; R748-A778 PolarHBondContact NH2-O 2.93Å; R748-A778 VanDerWaalsContact NH2-O 3.16Å; A774-A778 PolarHBondContact O-N 3.3Å; A775-A778 PolarHBondContact O-N 3Å; K776-A778 VanDerWaalsContact C-N 3.3Å; K776-A778 PolarHBondContact O-N 3.42Å |
| 779 | N | 86.6 | Confident | 84 | Confident | 85 Ų | 85 | 39.5 Ų | 39.5 | 46% | 0.455 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -89.1 | -44.8 | -165.6 | -67.3 | -31.7 | 0 | 0 | 0 | 113 | A775 M782 R783 | A775-N779 WeakPolarHBondContact O-CB 3.41Å; A775-N779 PolarHBondContact O-N 3.31Å; N779-M782 PolarHBondContact O-N 3.36Å; N779-R783 WeakPolarHBondContact O-CG 3.34Å; N779-R783 PolarHBondContact O-N 3.32Å |
| 780 | D | 86.3 | Confident | 83.6 | Confident | 19 Ų | 19 | 36.7 Ų | 36.7 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.2 | -38.4 | -174.8 | -69.6 | -15.5 | 0 | 0 | 0 | 110.9 | K776 M782 R783 V784 A961 I965 | K776-D780 VanDerWaalsContact O-CB 3.32Å; K776-D780 WeakPolarHBondContact O-CB 3.35Å; K776-D780 PolarHBondContact O-N 3.35Å; D780-M782 VanDerWaalsContact C-N 3.25Å; D780-M782 PolarHBondContact O-N 3.49Å; D780-R783 PolarHBondContact O-N 3.03Å; D780-R783 IonicContact OD1-NH1 2.62Å; D780-V784 WeakPolarHBondContact O-CG2 3.21Å; D780-V784 PolarHBondContact O-N 3.28Å; D780-V784 VanDerWaalsContact O-N 3.09Å; D780-A961 HydrophobicContact CB-CB 3.86Å; D780-I965 HydrophobicContact CB-CD1 4.18Å; D780-I965 HydrophobicContact CB-CG1 4.28Å |
| 781 | A | 84.6 | Confident | 83.3 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -37 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I747 R748 L777 | I747-A781 HydrophobicContact CG2-CB 4.16Å; R748-A781 HydrophobicContact CG-CB 3.62Å; L777-A781 VanDerWaalsContact O-CB 3.31Å; L777-A781 WeakPolarHBondContact O-CB 3.38Å |
| 782 | M | 84.9 | Confident | 83.2 | Confident | 90 Ų | 90 | 36.6 Ų | 36.6 | 44% | 0.443 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -72.4 | -40.9 | 175.7 | -170 | -176.6 | -60.7 | 0 | 0 | 111.8 | N779 D780 V784 T785 | N779-M782 PolarHBondContact O-N 3.36Å; D780-M782 VanDerWaalsContact C-N 3.25Å; D780-M782 PolarHBondContact O-N 3.49Å; M782-V784 VanDerWaalsContact C-N 3.29Å; M782-V784 PolarHBondContact O-N 2.85Å; M782-T785 PolarHBondContact O-N 3.34Å; M782-T785 PolarHBondContact O-OG1 3.01Å |
| 783 | R | 83.4 | Confident | 83 | Confident | 119 Ų | 119 | 35.1 Ų | 35.1 | 45% | 0.449 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.2 | -35.8 | 179.1 | -75.9 | 171.6 | 177.2 | 174.3 | -2.8 | 112.7 | N779 D780 T785 M786 A958 A961 | N779-R783 WeakPolarHBondContact O-CG 3.34Å; N779-R783 PolarHBondContact O-N 3.32Å; D780-R783 PolarHBondContact O-N 3.03Å; D780-R783 IonicContact OD1-NH1 2.62Å; R783-T785 PolarHBondContact O-N 3.26Å; R783-M786 VanDerWaalsContact O-CB 3.32Å; R783-M786 WeakPolarHBondContact O-CB 3.43Å; R783-M786 VanDerWaalsContact O-CG 3.31Å; R783-M786 WeakPolarHBondContact O-CG 3.32Å; R783-M786 PolarHBondContact O-N 2.74Å; R783-M786 VanDerWaalsContact O-N 3.08Å; R783-A958 WeakPolarHBondContact O-CB 3.34Å; R783-A961 HydrophobicContact CB-CB 3.8Å |
| 784 | V | 81.3 | Confident | 82.6 | Confident | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -29.1 | 177.3 | 160.8 | 0 | 0 | 0 | 0 | 113 | I659 I747 D780 M782 M786 I787 A961 A962 I965 | I659-V784 HydrophobicContact CD1-CG1 4.36Å; I659-V784 HydrophobicContact CD1-CG2 4.03Å; I659-V784 HydrophobicContact CG2-CG1 3.46Å; I659-V784 VanDerWaalsContact CG2-CG1 3.46Å; I747-V784 HydrophobicContact CD1-CG1 3.7Å; D780-V784 WeakPolarHBondContact O-CG2 3.21Å; D780-V784 PolarHBondContact O-N 3.28Å; D780-V784 VanDerWaalsContact O-N 3.09Å; M782-V784 VanDerWaalsContact C-N 3.29Å; M782-V784 PolarHBondContact O-N 2.85Å; V784-M786 PolarHBondContact O-N 3.31Å; V784-I787 PolarHBondContact O-N 3Å; V784-A961 HydrophobicContact CG2-CB 4.08Å; V784-A962 HydrophobicContact CG2-CB 4.28Å; V784-I965 HydrophobicContact CG2-CD1 3.73Å |
| 785 | T | 75.5 | Confident | 82.3 | Confident | 24 Ų | 24 | 41 Ų | 41 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -70.5 | -12.8 | 179.6 | 71.4 | 0 | 0 | 0 | 0 | 112.8 | I744 M782 R783 I787 S788 | I744-T785 HydrophobicContact CD1-CG2 3.52Å; I744-T785 HydrophobicContact CG1-CG2 3.13Å; M782-T785 PolarHBondContact O-N 3.34Å; M782-T785 PolarHBondContact O-OG1 3.01Å; R783-T785 PolarHBondContact O-N 3.26Å; T785-I787 PolarHBondContact O-N 3.43Å; T785-I787 VanDerWaalsContact O-N 3.11Å; T785-S788 CarbonylContact O-C 3.6Å; T785-S788 PolarHBondContact O-N 2.98Å |
| 786 | M | 76.4 | Confident | 82.4 | Confident | 70 Ų | 70 | 40.8 Ų | 40.8 | 35% | 0.345 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -65.3 | -13.4 | 175.1 | -60.3 | -67 | 162.8 | 0 | 0 | 113 | R783 V784 Q791 A958 | R783-M786 VanDerWaalsContact O-CB 3.32Å; R783-M786 WeakPolarHBondContact O-CB 3.43Å; R783-M786 VanDerWaalsContact O-CG 3.31Å; R783-M786 WeakPolarHBondContact O-CG 3.32Å; R783-M786 PolarHBondContact O-N 2.74Å; R783-M786 VanDerWaalsContact O-N 3.08Å; V784-M786 PolarHBondContact O-N 3.31Å; M786-Q791 HydrophobicContact SD-CG 4.19Å; M786-A958 HydrophobicContact CB-CB 4.21Å |
| 787 | I | 75.2 | Confident | 82.4 | Confident | 44 Ų | 44 | 39.1 Ų | 39.1 | 23% | 0.226 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -100.4 | -14.7 | 173 | -60.6 | 168.8 | 0 | 0 | 0 | 111.8 | T656 V784 T785 T955 A958 | T656-I787 HydrophobicContact CG2-CD1 3.47Å; T656-I787 VanDerWaalsContact CG2-CD1 3.47Å; V784-I787 PolarHBondContact O-N 3Å; T785-I787 PolarHBondContact O-N 3.43Å; T785-I787 VanDerWaalsContact O-N 3.11Å; I787-T955 HydrophobicContact CG1-CG2 4.41Å; I787-A958 HydrophobicContact CD1-CB 3.36Å; I787-A958 HydrophobicContact CG1-CB 3.52Å |
| 788 | S | 78.5 | Confident | 82.3 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -123.1 | -170.5 | -175 | -168.5 | 0 | 0 | 0 | 0 | 110.6 | N663 L743 T785 Q791 | N663-S788 PolarHBondContact ND2-OG 3.47Å; L743-S788 WeakPolarHBondContact CD2-OG 3.08Å; T785-S788 CarbonylContact O-C 3.6Å; T785-S788 PolarHBondContact O-N 2.98Å; S788-Q791 PolarHBondContact O-N 3.31Å |
| 789 | G | 77.4 | Confident | 82.4 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | 56.4 | -140.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F736 Q791 L792 G793 | F736-G789 WeakPolarHBondContact CD1-O 3.46Å; F736-G789 WeakPolarHBondContact CG-O 3.47Å; F736-G789 WeakPolarHBondContact O-CA 3.46Å; G789-Q791 VanDerWaalsContact C-N 3.27Å; G789-Q791 PolarHBondContact O-N 2.91Å; G789-L792 PolarHBondContact O-N 3.46Å; G789-G793 PolarHBondContact O-N 3.36Å |
| 790 | S | 77.8 | Confident | 82.7 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 33% | 0.329 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.5 | -27.8 | -174.1 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | G793 F794 | S790-G793 WeakPolarHBondContact O-CA 3.16Å; S790-G793 PolarHBondContact O-N 2.92Å; S790-G793 VanDerWaalsContact O-N 3.17Å; S790-F794 VanDerWaalsContact O-CD2 3.3Å; S790-F794 WeakPolarHBondContact O-CD2 3.21Å; S790-F794 PolarHBondContact O-N 2.94Å |
| 791 | Q | 79.5 | Confident | 82.9 | Confident | 42 Ų | 42 | 38 Ų | 38 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.5 | -39.7 | 178.9 | -63.1 | -61.4 | -7.5 | 0 | 0 | 112 | M786 S788 G789 G793 F794 I795 | M786-Q791 HydrophobicContact SD-CG 4.19Å; S788-Q791 PolarHBondContact O-N 3.31Å; G789-Q791 VanDerWaalsContact C-N 3.27Å; G789-Q791 PolarHBondContact O-N 2.91Å; Q791-G793 PolarHBondContact O-N 3.05Å; Q791-F794 PolarHBondContact O-N 2.84Å; Q791-I795 WeakPolarHBondContact O-CG1 3.31Å; Q791-I795 PolarHBondContact O-N 3Å; Q791-I795 VanDerWaalsContact O-N 3.15Å |
| 792 | L | 81.6 | Confident | 83.1 | Confident | 42 Ų | 42 | 40.6 Ų | 40.6 | 22% | 0.22 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.5 | -40.4 | 170.8 | -178.6 | 64.2 | 0 | 0 | 0 | 110.8 | F736 G789 F794 I795 I796 | F736-L792 HydrophobicContact CE1-CB 4.49Å; F736-L792 HydrophobicContact CE1-CD2 4.07Å; F736-L792 HydrophobicContact CE1-CG 4.4Å; G789-L792 PolarHBondContact O-N 3.46Å; L792-F794 PolarHBondContact O-N 3.41Å; L792-I795 PolarHBondContact O-N 3.41Å; L792-I796 HydrophobicContact CD1-CD1 4.29Å; L792-I796 HydrophobicContact CD1-CG1 4.5Å; L792-I796 HydrophobicContact CG-CD1 3.94Å; L792-I796 WeakPolarHBondContact O-CG1 3.3Å; L792-I796 PolarHBondContact O-N 3.28Å |
| 793 | G | 83.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.3 | -46.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | C677 G789 S790 Q791 I795 I796 E797 | C677-G793 WeakPolarHBondContact SG-CA 3.17Å; C677-G793 PolarHBondContact SG-O 3.09Å; G789-G793 PolarHBondContact O-N 3.36Å; S790-G793 WeakPolarHBondContact O-CA 3.16Å; S790-G793 PolarHBondContact O-N 2.92Å; S790-G793 VanDerWaalsContact O-N 3.17Å; Q791-G793 PolarHBondContact O-N 3.05Å; G793-I795 VanDerWaalsContact C-N 3.34Å; G793-I795 PolarHBondContact O-N 3.45Å; G793-I796 PolarHBondContact O-N 3.47Å; G793-E797 WeakPolarHBondContact O-CB 3.44Å; G793-E797 PolarHBondContact O-N 3.33Å |
| 794 | F | 82.3 | Confident | 83.9 | Confident | 81 Ų | 81 | 36.6 Ų | 36.6 | 36% | 0.355 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.3 | -36.9 | 176.5 | -68.9 | -53.3 | 0 | 0 | 0 | 113.4 | S790 Q791 L792 A798 L951 | S790-F794 VanDerWaalsContact O-CD2 3.3Å; S790-F794 WeakPolarHBondContact O-CD2 3.21Å; S790-F794 PolarHBondContact O-N 2.94Å; Q791-F794 PolarHBondContact O-N 2.84Å; L792-F794 PolarHBondContact O-N 3.41Å; F794-A798 WeakPolarHBondContact O-CB 3.06Å; F794-A798 PolarHBondContact O-N 3.45Å; F794-L951 HydrophobicContact CB-CD1 3.86Å |
| 795 | I | 83.6 | Confident | 84.4 | Confident | 63 Ų | 63 | 36.4 Ų | 36.4 | 32% | 0.323 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 175.6 | -65.3 | 168.3 | 0 | 0 | 0 | 110.1 | Q791 L792 G793 A798 V799 L951 | Q791-I795 WeakPolarHBondContact O-CG1 3.31Å; Q791-I795 PolarHBondContact O-N 3Å; Q791-I795 VanDerWaalsContact O-N 3.15Å; L792-I795 PolarHBondContact O-N 3.41Å; G793-I795 VanDerWaalsContact C-N 3.34Å; G793-I795 PolarHBondContact O-N 3.45Å; I795-A798 PolarHBondContact O-N 2.94Å; I795-V799 WeakPolarHBondContact O-CG2 3.37Å; I795-V799 PolarHBondContact O-N 3.17Å; I795-L951 HydrophobicContact CG1-CD1 4.46Å |
| 796 | I | 88 | Confident | 85.2 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 20% | 0.2 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 178.3 | -66.1 | 169.7 | 0 | 0 | 0 | 110.8 | C674 C677 V678 F736 L792 G793 A798 V799 A800 | C674-I796 HydrophobicContact CB-CD1 4.46Å; C674-I796 VanDerWaalsContact SG-CD1 3.55Å; C677-I796 HydrophobicContact CB-CB 4.17Å; C677-I796 HydrophobicContact CB-CG2 3.8Å; V678-I796 HydrophobicContact CG2-CG2 4.31Å; F736-I796 HydrophobicContact CZ-CD1 4.31Å; L792-I796 HydrophobicContact CD1-CD1 4.29Å; L792-I796 HydrophobicContact CD1-CG1 4.5Å; L792-I796 HydrophobicContact CG-CD1 3.94Å; L792-I796 WeakPolarHBondContact O-CG1 3.3Å; L792-I796 PolarHBondContact O-N 3.28Å; G793-I796 PolarHBondContact O-N 3.47Å; I796-A798 VanDerWaalsContact C-N 3.33Å; I796-A798 PolarHBondContact O-N 2.81Å; I796-V799 PolarHBondContact O-N 2.76Å; I796-A800 WeakPolarHBondContact O-CB 3.31Å; I796-A800 PolarHBondContact O-N 3.44Å |
| 797 | E | 88.6 | Confident | 86.1 | Confident | 21 Ų | 21 | 38 Ų | 38 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.6 | -44.9 | 174.9 | -175.5 | 176 | 148.3 | 0 | 0 | 111.3 | S680 Q732 G793 A800 L801 | S680-E797 PolarHBondContact OG-OE1 2.88Å; S680-E797 PolarHBondContact OG-OE2 3.26Å; Q732-E797 PolarHBondContact NE2-OE2 3.13Å; Q732-E797 VanDerWaalsContact NE2-OE2 3.13Å; G793-E797 WeakPolarHBondContact O-CB 3.44Å; G793-E797 PolarHBondContact O-N 3.33Å; E797-A800 PolarHBondContact O-N 2.69Å; E797-L801 WeakPolarHBondContact O-CB 3.27Å; E797-L801 PolarHBondContact O-N 2.99Å |
| 798 | A | 86.8 | Confident | 86.8 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | F794 I795 I796 M802 L945 T948 | F794-A798 WeakPolarHBondContact O-CB 3.06Å; F794-A798 PolarHBondContact O-N 3.45Å; I795-A798 PolarHBondContact O-N 2.94Å; I796-A798 VanDerWaalsContact C-N 3.33Å; I796-A798 PolarHBondContact O-N 2.81Å; A798-M802 WeakPolarHBondContact O-CB 3.23Å; A798-M802 PolarHBondContact O-N 2.85Å; A798-L945 HydrophobicContact CB-CD1 4.35Å; A798-T948 HydrophobicContact CB-CG2 4.04Å |
| 799 | V | 89 | Confident | 87.5 | Confident | 79 Ų | 79 | 36.5 Ų | 36.5 | 48% | 0.479 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.9 | -44.2 | 176 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | I795 I796 M802 A803 | I795-V799 WeakPolarHBondContact O-CG2 3.37Å; I795-V799 PolarHBondContact O-N 3.17Å; I796-V799 PolarHBondContact O-N 2.76Å; V799-M802 PolarHBondContact O-N 3.17Å; V799-A803 WeakPolarHBondContact O-CB 3.38Å; V799-A803 PolarHBondContact O-N 3.41Å |
| 800 | A | 91.5 | Very high | 88.3 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V678 I796 E797 A803 M804 | V678-A800 HydrophobicContact CG2-CB 4.32Å; I796-A800 WeakPolarHBondContact O-CB 3.31Å; I796-A800 PolarHBondContact O-N 3.44Å; E797-A800 PolarHBondContact O-N 2.69Å; A800-A803 PolarHBondContact O-N 2.89Å; A800-M804 WeakPolarHBondContact O-CB 3.5Å; A800-M804 VanDerWaalsContact O-CG 3.32Å; A800-M804 WeakPolarHBondContact O-CG 3.33Å; A800-M804 PolarHBondContact O-N 2.9Å |
| 801 | L | 91 | Very high | 89 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57 | -50.9 | 173.7 | 170.4 | 60.8 | 0 | 0 | 0 | 111.4 | Q684 P685 E797 S805 S944 | Q684-L801 HydrophobicContact CB-CD1 3.88Å; Q684-L801 HydrophobicContact CG-CD1 4.09Å; P685-L801 HydrophobicContact CG-CD1 3.72Å; E797-L801 WeakPolarHBondContact O-CB 3.27Å; E797-L801 PolarHBondContact O-N 2.99Å; L801-S805 WeakPolarHBondContact O-CB 3.4Å; L801-S805 PolarHBondContact O-N 3.43Å; L801-S805 PolarHBondContact O-OG 3.29Å; L801-S944 VanDerWaalsContact CD2-OG 3.3Å; L801-S944 WeakPolarHBondContact CD2-OG 3.45Å |
| 802 | M | 89.7 | Confident | 89.5 | Confident | 56 Ų | 56 | 45.9 Ų | 45.9 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.3 | -49 | 179.5 | -178.8 | -175.3 | 71.4 | 0 | 0 | 111.4 | A798 V799 S805 F806 L945 | A798-M802 WeakPolarHBondContact O-CB 3.23Å; A798-M802 PolarHBondContact O-N 2.85Å; V799-M802 PolarHBondContact O-N 3.17Å; M802-S805 PolarHBondContact O-N 3.26Å; M802-F806 HydrophobicContact CG-CD2 3.96Å; M802-F806 HydrophobicContact CG-CE2 3.5Å; M802-F806 VanDerWaalsContact CG-CE2 3.5Å; M802-F806 HydrophobicContact CG-CZ 3.98Å; M802-F806 WeakPolarHBondContact O-CG 3.5Å; M802-F806 PolarHBondContact O-N 2.73Å; M802-F806 HydrophobicContact SD-CE2 4.01Å; M802-L945 HydrophobicContact SD-CD2 3.91Å |
| 803 | A | 92.6 | Very high | 90 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.6 | -50.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V799 A800 S805 F806 V807 | V799-A803 WeakPolarHBondContact O-CB 3.38Å; V799-A803 PolarHBondContact O-N 3.41Å; A800-A803 PolarHBondContact O-N 2.89Å; A803-S805 VanDerWaalsContact C-N 3.32Å; A803-S805 PolarHBondContact O-N 3.34Å; A803-F806 PolarHBondContact O-N 3.46Å; A803-V807 WeakPolarHBondContact O-CG2 3.42Å; A803-V807 PolarHBondContact O-N 3.21Å |
| 804 | M | 92.7 | Very high | 90.5 | Very high | 78 Ų | 78 | 51.6 Ų | 51.6 | 38% | 0.384 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 178.1 | -70.9 | -58.6 | -61.4 | 0 | 0 | 112.1 | T682 P685 A800 V807 V808 | T682-M804 HydrophobicContact CG2-CG 3.78Å; T682-M804 HydrophobicContact CG2-SD 4.43Å; P685-M804 HydrophobicContact CB-CB 4.38Å; P685-M804 HydrophobicContact CG-CB 3.97Å; A800-M804 WeakPolarHBondContact O-CB 3.5Å; A800-M804 VanDerWaalsContact O-CG 3.32Å; A800-M804 WeakPolarHBondContact O-CG 3.33Å; A800-M804 PolarHBondContact O-N 2.9Å; M804-V807 PolarHBondContact O-N 3.42Å; M804-V808 WeakPolarHBondContact O-CB 3.49Å; M804-V808 VanDerWaalsContact O-CG2 3.24Å; M804-V808 WeakPolarHBondContact O-CG2 3.17Å; M804-V808 PolarHBondContact O-N 2.93Å |
| 805 | S | 91.9 | Very high | 91 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 177.8 | -63 | 0 | 0 | 0 | 0 | 112.2 | P685 L801 M802 A803 S809 T937 S941 | P685-S805 WeakPolarHBondContact CG-OG 3.42Å; L801-S805 WeakPolarHBondContact O-CB 3.4Å; L801-S805 PolarHBondContact O-N 3.43Å; L801-S805 PolarHBondContact O-OG 3.29Å; M802-S805 PolarHBondContact O-N 3.26Å; A803-S805 VanDerWaalsContact C-N 3.32Å; A803-S805 PolarHBondContact O-N 3.34Å; S805-S809 VanDerWaalsContact O-CB 3.3Å; S805-S809 WeakPolarHBondContact O-CB 3.36Å; S805-S809 PolarHBondContact O-N 2.88Å; S805-S809 PolarHBondContact O-OG 3.48Å; S805-T937 VanDerWaalsContact CA-CG2 3.44Å; S805-T937 WeakPolarHBondContact O-CG2 3.46Å; S805-S941 WeakPolarHBondContact OG-CB 3.13Å |
| 806 | F | 92.1 | Very high | 91.4 | Very high | 41 Ų | 41 | 48 Ų | 48 | 18% | 0.18 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.9 | -44.3 | 175.5 | -69.9 | -25.5 | 0 | 0 | 0 | 112.2 | M802 A803 V808 S809 F810 L821 Y824 | M802-F806 HydrophobicContact CG-CD2 3.96Å; M802-F806 HydrophobicContact CG-CE2 3.5Å; M802-F806 VanDerWaalsContact CG-CE2 3.5Å; M802-F806 HydrophobicContact CG-CZ 3.98Å; M802-F806 WeakPolarHBondContact O-CG 3.5Å; M802-F806 PolarHBondContact O-N 2.73Å; M802-F806 HydrophobicContact SD-CE2 4.01Å; A803-F806 PolarHBondContact O-N 3.46Å; F806-V808 VanDerWaalsContact C-N 3.35Å; F806-V808 PolarHBondContact O-N 2.91Å; F806-S809 PolarHBondContact O-N 2.97Å; F806-F810 HydrophobicContact CB-CD2 4.27Å; F806-F810 HydrophobicContact CB-CE2 4.4Å; F806-F810 WeakPolarHBondContact O-CB 3.39Å; F806-F810 VanDerWaalsContact O-CD2 3.24Å; F806-F810 WeakPolarHBondContact O-CD2 3.42Å; F806-F810 PolarHBondContact O-N 3.26Å; F806-L821 HydrophobicContact CE1-CD1 4.4Å; F806-L821 HydrophobicContact CZ-CD1 4.41Å; F806-Y824 HydrophobicContact CE1-CD2 4.25Å; F806-Y824 HydrophobicContact CE1-CE2 4.01Å; F806-Y824 HydrophobicContact CZ-CD1 4.26Å; F806-Y824 HydrophobicContact CZ-CD2 4.39Å; F806-Y824 AromaticContact CZ-CE1 3.93Å; F806-Y824 HydrophobicContact CZ-CE1 3.93Å; F806-Y824 HydrophobicContact CZ-CE2 4.06Å; F806-Y824 HydrophobicContact CZ-CG 4.48Å; F806-Y824 AromaticContact CZ-CZ 3.83Å |
| 807 | V | 93.5 | Very high | 91.6 | Very high | 87 Ų | 87 | 46.2 Ų | 46.2 | 53% | 0.527 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56 | -51.2 | 176.4 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | A803 M804 S809 F810 V811 | A803-V807 WeakPolarHBondContact O-CG2 3.42Å; A803-V807 PolarHBondContact O-N 3.21Å; M804-V807 PolarHBondContact O-N 3.42Å; V807-S809 VanDerWaalsContact C-N 3.31Å; V807-S809 PolarHBondContact O-N 2.99Å; V807-F810 PolarHBondContact O-N 3.05Å; V807-V811 WeakPolarHBondContact O-CB 3.31Å; V807-V811 WeakPolarHBondContact O-CG2 3.31Å; V807-V811 PolarHBondContact O-N 3.1Å; V807-V811 VanDerWaalsContact O-N 3.1Å |
| 808 | V | 91.8 | Very high | 91.8 | Very high | 17 Ų | 17 | 49.2 Ų | 49.2 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 177.8 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | I689 M804 F806 V811 Y812 T937 | I689-V808 HydrophobicContact CD1-CG1 3.99Å; I689-V808 HydrophobicContact CD1-CG2 3.97Å; I689-V808 HydrophobicContact CG1-CG1 4.01Å; M804-V808 WeakPolarHBondContact O-CB 3.49Å; M804-V808 VanDerWaalsContact O-CG2 3.24Å; M804-V808 WeakPolarHBondContact O-CG2 3.17Å; M804-V808 PolarHBondContact O-N 2.93Å; F806-V808 VanDerWaalsContact C-N 3.35Å; F806-V808 PolarHBondContact O-N 2.91Å; V808-V811 PolarHBondContact O-N 2.92Å; V808-Y812 HydrophobicContact CG1-CD2 3.99Å; V808-Y812 HydrophobicContact CG1-CE2 3.91Å; V808-Y812 WeakPolarHBondContact O-CD2 3.3Å; V808-Y812 PolarHBondContact O-N 3.38Å; V808-T937 HydrophobicContact CB-CG2 4.18Å; V808-T937 HydrophobicContact CG1-CG2 4.09Å |
| 809 | S | 91.5 | Very high | 92 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.8 | -44.3 | -176 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | S805 F806 V807 V811 Y812 S813 T817 I938 | S805-S809 VanDerWaalsContact O-CB 3.3Å; S805-S809 WeakPolarHBondContact O-CB 3.36Å; S805-S809 PolarHBondContact O-N 2.88Å; S805-S809 PolarHBondContact O-OG 3.48Å; F806-S809 PolarHBondContact O-N 2.97Å; V807-S809 VanDerWaalsContact C-N 3.31Å; V807-S809 PolarHBondContact O-N 2.99Å; S809-V811 VanDerWaalsContact C-N 3.35Å; S809-V811 PolarHBondContact O-N 3.17Å; S809-Y812 PolarHBondContact O-N 3.39Å; S809-S813 CarbonylContact O-C 3.51Å; S809-S813 PolarHBondContact O-N 3.35Å; S809-T817 WeakPolarHBondContact CB-OG1 3.32Å; S809-T817 PolarHBondContact O-OG1 3.2Å; S809-T817 VanDerWaalsContact O-OG1 3.05Å; S809-I938 VanDerWaalsContact OG-CG1 3.24Å; S809-I938 WeakPolarHBondContact OG-CG1 3.44Å |
| 810 | F | 94.2 | Very high | 92 | Very high | 91 Ų | 91 | 48 Ų | 48 | 40% | 0.399 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.9 | -34.7 | 177.9 | -83.7 | -69.7 | 0 | 0 | 0 | 113 | F806 V807 W814 T817 L818 | F806-F810 HydrophobicContact CB-CD2 4.27Å; F806-F810 HydrophobicContact CB-CE2 4.4Å; F806-F810 WeakPolarHBondContact O-CB 3.39Å; F806-F810 VanDerWaalsContact O-CD2 3.24Å; F806-F810 WeakPolarHBondContact O-CD2 3.42Å; F806-F810 PolarHBondContact O-N 3.26Å; V807-F810 PolarHBondContact O-N 3.05Å; F810-W814 HydrophobicContact CD1-CB 3.99Å; F810-T817 HydrophobicContact CD1-CG2 3.98Å; F810-T817 HydrophobicContact CD2-CG2 3.88Å; F810-T817 HydrophobicContact CE1-CG2 3.78Å; F810-T817 HydrophobicContact CE2-CG2 3.67Å; F810-T817 HydrophobicContact CG-CG2 4.02Å; F810-T817 HydrophobicContact CZ-CG2 3.62Å; F810-L818 HydrophobicContact CE1-CD2 4.44Å |
| 811 | V | 93.4 | Very high | 92 | Very high | 112 Ų | 112 | 50.7 Ų | 50.7 | 68% | 0.679 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.7 | -38.7 | 176.8 | 168.9 | 0 | 0 | 0 | 0 | 111.6 | V807 V808 S809 | V807-V811 WeakPolarHBondContact O-CB 3.31Å; V807-V811 WeakPolarHBondContact O-CG2 3.31Å; V807-V811 PolarHBondContact O-N 3.1Å; V807-V811 VanDerWaalsContact O-N 3.1Å; V808-V811 PolarHBondContact O-N 2.92Å; S809-V811 VanDerWaalsContact C-N 3.35Å; S809-V811 PolarHBondContact O-N 3.17Å |
| 812 | Y | 90.6 | Very high | 92 | Very high | 86 Ų | 86 | 55.2 Ų | 55.2 | 34% | 0.337 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -82.4 | -41.5 | 179.8 | -74.5 | -63.6 | 0 | 0 | 0 | 113.8 | V808 S809 R933 | V808-Y812 HydrophobicContact CG1-CD2 3.99Å; V808-Y812 HydrophobicContact CG1-CE2 3.91Å; V808-Y812 WeakPolarHBondContact O-CD2 3.3Å; V808-Y812 PolarHBondContact O-N 3.38Å; S809-Y812 PolarHBondContact O-N 3.39Å; Y812-R933 HydrophobicContact CD2-CB 4.25Å; Y812-R933 VanDerWaalsContact CE2-CD 3.49Å; Y812-R933 PolarHBondContact OH-NH1 3.32Å |
| 813 | S | 92.3 | Very high | 92 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | trans | -161.1 | 112.1 | 172.6 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | S809 Q815 L816 T817 I926 | S809-S813 CarbonylContact O-C 3.51Å; S809-S813 PolarHBondContact O-N 3.35Å; S813-Q815 VanDerWaalsContact C-N 3.34Å; S813-Q815 PolarHBondContact OG-N 2.99Å; S813-L816 PolarHBondContact OG-N 3.18Å; S813-L816 VanDerWaalsContact OG-N 3.14Å; S813-T817 VanDerWaalsContact O-CB 3.25Å; S813-T817 WeakPolarHBondContact O-CB 3.47Å; S813-T817 PolarHBondContact O-N 2.96Å; S813-T817 PolarHBondContact O-OG1 3.45Å; S813-I926 WeakPolarHBondContact OG-CD1 3.34Å | ||
| 814 | W | 93 | Very high | 91.7 | Very high | 156 Ų | 156 | 53.1 Ų | 53.1 | 59% | 0.591 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67 | -35.6 | 172.2 | 72.7 | -92.1 | 0 | 0 | 0 | 112.2 | F810 T817 L818 | F810-W814 HydrophobicContact CD1-CB 3.99Å; W814-T817 PolarHBondContact O-N 3.47Å; W814-L818 HydrophobicContact CE3-CD1 3.51Å; W814-L818 HydrophobicContact CE3-CG 4.4Å; W814-L818 HydrophobicContact CZ3-CD1 3.59Å; W814-L818 WeakPolarHBondContact O-CG 3.44Å; W814-L818 PolarHBondContact O-N 2.94Å |
| 815 | Q | 93.3 | Very high | 91.5 | Very high | 69 Ų | 69 | 52.7 Ų | 52.7 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -48.2 | -177.2 | -64.7 | 172.5 | -22.3 | 0 | 0 | 111.9 | S813 L920 | S813-Q815 VanDerWaalsContact C-N 3.34Å; S813-Q815 PolarHBondContact OG-N 2.99Å; Q815-L920 HydrophobicContact CB-CD1 4.11Å; Q815-L920 VanDerWaalsContact OE1-CD2 3.31Å |
| 816 | L | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.5 | -36.5 | 179.5 | -173.6 | 63.2 | 0 | 0 | 0 | 111.3 | S813 L818 L819 I820 A913 L916 V931 V934 | S813-L816 PolarHBondContact OG-N 3.18Å; S813-L816 VanDerWaalsContact OG-N 3.14Å; L816-L818 PolarHBondContact O-N 2.86Å; L816-L819 PolarHBondContact O-N 2.92Å; L816-I820 HydrophobicContact CG-CD1 4.19Å; L816-I820 WeakPolarHBondContact O-CG1 3.5Å; L816-I820 PolarHBondContact O-N 3.37Å; L816-A913 HydrophobicContact CD1-CB 4.34Å; L816-A913 WeakPolarHBondContact CD1-O 3.2Å; L816-L916 HydrophobicContact CD1-CB 4.46Å; L816-L916 HydrophobicContact CD1-CD2 4.29Å; L816-V931 HydrophobicContact CD2-CB 4.35Å; L816-V931 HydrophobicContact CD2-CG1 4.14Å; L816-V934 HydrophobicContact CB-CG1 4.15Å; L816-V934 HydrophobicContact CD2-CB 3.91Å; L816-V934 HydrophobicContact CD2-CG1 3.9Å; L816-V934 HydrophobicContact CG-CB 4.44Å; L816-V934 HydrophobicContact CG-CG1 3.88Å |
| 817 | T | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 177 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | S809 F810 S813 W814 L819 I820 L821 I938 | S809-T817 WeakPolarHBondContact CB-OG1 3.32Å; S809-T817 PolarHBondContact O-OG1 3.2Å; S809-T817 VanDerWaalsContact O-OG1 3.05Å; F810-T817 HydrophobicContact CD1-CG2 3.98Å; F810-T817 HydrophobicContact CD2-CG2 3.88Å; F810-T817 HydrophobicContact CE1-CG2 3.78Å; F810-T817 HydrophobicContact CE2-CG2 3.67Å; F810-T817 HydrophobicContact CG-CG2 4.02Å; F810-T817 HydrophobicContact CZ-CG2 3.62Å; S813-T817 VanDerWaalsContact O-CB 3.25Å; S813-T817 WeakPolarHBondContact O-CB 3.47Å; S813-T817 PolarHBondContact O-N 2.96Å; S813-T817 PolarHBondContact O-OG1 3.45Å; W814-T817 PolarHBondContact O-N 3.47Å; T817-L819 VanDerWaalsContact C-N 3.32Å; T817-L819 PolarHBondContact O-N 3.24Å; T817-I820 PolarHBondContact O-N 3.4Å; T817-L821 VanDerWaalsContact O-CB 3.32Å; T817-L821 WeakPolarHBondContact O-CB 3.42Å; T817-L821 PolarHBondContact O-N 3.43Å; T817-I938 HydrophobicContact CG2-CD1 3.94Å |
| 818 | L | 92.6 | Very high | 90.2 | Very high | 85 Ų | 85 | 52.6 Ų | 52.6 | 45% | 0.445 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 177.8 | -75.8 | 176.6 | 0 | 0 | 0 | 112.7 | F810 W814 L816 L821 | F810-L818 HydrophobicContact CE1-CD2 4.44Å; W814-L818 HydrophobicContact CE3-CD1 3.51Å; W814-L818 HydrophobicContact CE3-CG 4.4Å; W814-L818 HydrophobicContact CZ3-CD1 3.59Å; W814-L818 WeakPolarHBondContact O-CG 3.44Å; W814-L818 PolarHBondContact O-N 2.94Å; L816-L818 PolarHBondContact O-N 2.86Å; L818-L821 PolarHBondContact O-N 3.26Å |
| 819 | L | 91.4 | Very high | 89.7 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 27% | 0.272 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 177 | -178.6 | 73 | 0 | 0 | 0 | 111.4 | L816 T817 L821 V822 A912 L916 | L816-L819 PolarHBondContact O-N 2.92Å; T817-L819 VanDerWaalsContact C-N 3.32Å; T817-L819 PolarHBondContact O-N 3.24Å; L819-L821 PolarHBondContact O-N 3.01Å; L819-V822 WeakPolarHBondContact O-CB 3.34Å; L819-V822 PolarHBondContact O-N 2.8Å; L819-V822 VanDerWaalsContact O-N 3.14Å; L819-A912 HydrophobicContact CD2-CB 3.85Å; L819-A912 VanDerWaalsContact CD2-O 3.3Å; L819-A912 WeakPolarHBondContact CD2-O 3.24Å; L819-A912 HydrophobicContact CG-CB 4.42Å; L819-L916 HydrophobicContact CB-CD2 4.08Å; L819-L916 HydrophobicContact CD2-CB 3.92Å; L819-L916 HydrophobicContact CD2-CD2 3.72Å; L819-L916 HydrophobicContact CD2-CG 4.47Å; L819-L916 HydrophobicContact CG-CD2 4.41Å |
| 820 | I | 89.2 | Confident | 89 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.1 | -31.1 | -177.4 | -59.6 | 172.1 | 0 | 0 | 0 | 110.4 | L816 T817 V822 F823 Y824 A913 V934 F935 I938 | L816-I820 HydrophobicContact CG-CD1 4.19Å; L816-I820 WeakPolarHBondContact O-CG1 3.5Å; L816-I820 PolarHBondContact O-N 3.37Å; T817-I820 PolarHBondContact O-N 3.4Å; I820-V822 PolarHBondContact O-N 2.9Å; I820-F823 PolarHBondContact O-N 2.97Å; I820-Y824 PolarHBondContact O-N 3.31Å; I820-Y824 VanDerWaalsContact O-N 3.1Å; I820-A913 HydrophobicContact CD1-CB 4.02Å; I820-A913 HydrophobicContact CG1-CB 4.13Å; I820-V934 HydrophobicContact CD1-CG1 4Å; I820-F935 HydrophobicContact CD1-CB 4.44Å; I820-F935 HydrophobicContact CD1-CD2 4.31Å; I820-I938 HydrophobicContact CB-CD1 3.94Å; I820-I938 HydrophobicContact CB-CG2 4.43Å; I820-I938 HydrophobicContact CD1-CD1 4.16Å; I820-I938 HydrophobicContact CG2-CB 3.97Å; I820-I938 HydrophobicContact CG2-CD1 4.03Å; I820-I938 HydrophobicContact CG2-CG2 3.45Å; I820-I938 VanDerWaalsContact CG2-CG2 3.45Å |
| 821 | L | 90.3 | Very high | 88 | Confident | 69 Ų | 69 | 52.1 Ų | 52.1 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -24.2 | 176.1 | -166.1 | 136.7 | 0 | 0 | 0 | 113 | F806 T817 L818 L819 F823 Y824 P825 | F806-L821 HydrophobicContact CE1-CD1 4.4Å; F806-L821 HydrophobicContact CZ-CD1 4.41Å; T817-L821 VanDerWaalsContact O-CB 3.32Å; T817-L821 WeakPolarHBondContact O-CB 3.42Å; T817-L821 PolarHBondContact O-N 3.43Å; L818-L821 PolarHBondContact O-N 3.26Å; L819-L821 PolarHBondContact O-N 3.01Å; L821-F823 VanDerWaalsContact C-N 3.32Å; L821-F823 PolarHBondContact O-N 3.47Å; L821-Y824 WeakPolarHBondContact O-CB 3.13Å; L821-Y824 PolarHBondContact O-N 3.41Å; L821-P825 WeakPolarHBondContact O-CD 3.32Å |
| 822 | V | 91.3 | Very high | 87.1 | Confident | 99 Ų | 99 | 49.3 Ų | 49.3 | 60% | 0.6 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64 | -37.8 | 171.4 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | L819 I820 | L819-V822 WeakPolarHBondContact O-CB 3.34Å; L819-V822 PolarHBondContact O-N 2.8Å; L819-V822 VanDerWaalsContact O-N 3.14Å; I820-V822 PolarHBondContact O-N 2.9Å |
| 823 | F | 89 | Confident | 86.1 | Confident | 43 Ų | 43 | 47 Ų | 47 | 19% | 0.189 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -83.6 | -18.2 | 178.4 | -62.6 | -80.3 | 0 | 0 | 0 | 112.9 | I820 L821 L826 I827 V905 F908 A909 A912 | I820-F823 PolarHBondContact O-N 2.97Å; L821-F823 VanDerWaalsContact C-N 3.32Å; L821-F823 PolarHBondContact O-N 3.47Å; F823-L826 WeakPolarHBondContact O-CB 3.32Å; F823-L826 PolarHBondContact O-N 2.84Å; F823-L826 VanDerWaalsContact O-N 3.16Å; F823-I827 WeakPolarHBondContact O-CG1 3.46Å; F823-I827 PolarHBondContact O-N 2.87Å; F823-I827 VanDerWaalsContact O-N 3.1Å; F823-V905 HydrophobicContact CB-CG1 4.3Å; F823-V905 HydrophobicContact CD1-CG1 4.2Å; F823-F908 HydrophobicContact CE1-CB 4.18Å; F823-A909 HydrophobicContact CB-CB 3.91Å; F823-A909 HydrophobicContact CD1-CB 4.31Å; F823-A909 HydrophobicContact CD2-CB 4.04Å; F823-A909 HydrophobicContact CG-CB 3.82Å; F823-A912 HydrophobicContact CE2-CB 3.82Å; F823-A912 HydrophobicContact CZ-CB 4.12Å |
| 824 | Y | 88.2 | Confident | 85 | Confident | 16 Ų | 16 | 50 Ų | 50 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.1 | -49.4 | -173.8 | -168.6 | -87.5 | 0 | 0 | 0 | 113.8 | F806 I820 L821 L826 I827 V828 I938 S941 A942 L945 | F806-Y824 HydrophobicContact CE1-CD2 4.25Å; F806-Y824 HydrophobicContact CE1-CE2 4.01Å; F806-Y824 HydrophobicContact CZ-CD1 4.26Å; F806-Y824 HydrophobicContact CZ-CD2 4.39Å; F806-Y824 AromaticContact CZ-CE1 3.93Å; F806-Y824 HydrophobicContact CZ-CE1 3.93Å; F806-Y824 HydrophobicContact CZ-CE2 4.06Å; F806-Y824 HydrophobicContact CZ-CG 4.48Å; F806-Y824 AromaticContact CZ-CZ 3.83Å; I820-Y824 PolarHBondContact O-N 3.31Å; I820-Y824 VanDerWaalsContact O-N 3.1Å; L821-Y824 WeakPolarHBondContact O-CB 3.13Å; L821-Y824 PolarHBondContact O-N 3.41Å; Y824-L826 VanDerWaalsContact C-N 3.29Å; Y824-L826 PolarHBondContact O-N 2.85Å; Y824-I827 PolarHBondContact O-N 3.39Å; Y824-V828 HydrophobicContact CD1-CG2 4.06Å; Y824-V828 HydrophobicContact CE1-CG2 3.83Å; Y824-V828 WeakPolarHBondContact O-CG2 3.41Å; Y824-V828 PolarHBondContact O-N 3Å; Y824-V828 VanDerWaalsContact O-N 3.11Å; Y824-I938 HydrophobicContact CD2-CG2 3.66Å; Y824-I938 HydrophobicContact CE2-CG2 4.07Å; Y824-S941 WeakPolarHBondContact CE2-OG 3.43Å; Y824-A942 HydrophobicContact CD2-CB 3.71Å; Y824-A942 HydrophobicContact CE2-CB 3.55Å; Y824-L945 HydrophobicContact CE1-CD2 3.77Å; Y824-L945 WeakPolarHBondContact OH-CD2 3.39Å |
| 825 | P | 87.6 | Confident | 83.6 | Confident | 68 Ų | 68 | 46.6 Ų | 46.6 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -36.1 | 176.5 | -22.9 | 33.8 | 0 | 0 | 0 | 113.1 | L821 V828 I829 | L821-P825 WeakPolarHBondContact O-CD 3.32Å; P825-V828 PolarHBondContact O-N 3.48Å; P825-I829 WeakPolarHBondContact O-CB 3.31Å; P825-I829 WeakPolarHBondContact O-CD1 3.34Å; P825-I829 WeakPolarHBondContact O-CG1 3.28Å; P825-I829 PolarHBondContact O-N 2.87Å |
| 826 | L | 86.3 | Confident | 82.2 | Confident | 74 Ų | 74 | 49 Ų | 49 | 39% | 0.387 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 179.4 | -66.2 | 174.7 | 0 | 0 | 0 | 111.4 | F823 Y824 G830 V905 | F823-L826 WeakPolarHBondContact O-CB 3.32Å; F823-L826 PolarHBondContact O-N 2.84Å; F823-L826 VanDerWaalsContact O-N 3.16Å; Y824-L826 VanDerWaalsContact C-N 3.29Å; Y824-L826 PolarHBondContact O-N 2.85Å; L826-G830 PolarHBondContact O-N 3Å; L826-V905 HydrophobicContact CB-CG1 3.9Å; L826-V905 HydrophobicContact CB-CG2 4.08Å; L826-V905 HydrophobicContact CD1-CG2 4.32Å |
| 827 | I | 82.8 | Confident | 80.7 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 174.9 | -62 | 168.3 | 0 | 0 | 0 | 110.5 | F823 Y824 G830 G831 V905 A942 | F823-I827 WeakPolarHBondContact O-CG1 3.46Å; F823-I827 PolarHBondContact O-N 2.87Å; F823-I827 VanDerWaalsContact O-N 3.1Å; Y824-I827 PolarHBondContact O-N 3.39Å; I827-G830 PolarHBondContact O-N 3Å; I827-G831 PolarHBondContact O-N 3.31Å; I827-V905 HydrophobicContact CD1-CG1 4.44Å; I827-V905 HydrophobicContact CG1-CG1 3.64Å; I827-A942 HydrophobicContact CB-CB 4.16Å; I827-A942 HydrophobicContact CD1-CB 4.15Å; I827-A942 HydrophobicContact CG2-CB 3.71Å |
| 828 | V | 81.9 | Confident | 78.9 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 17% | 0.17 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 179.6 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | Y824 P825 G830 G831 F832 L945 | Y824-V828 HydrophobicContact CD1-CG2 4.06Å; Y824-V828 HydrophobicContact CE1-CG2 3.83Å; Y824-V828 WeakPolarHBondContact O-CG2 3.41Å; Y824-V828 PolarHBondContact O-N 3Å; Y824-V828 VanDerWaalsContact O-N 3.11Å; P825-V828 PolarHBondContact O-N 3.48Å; V828-G830 VanDerWaalsContact C-N 3.32Å; V828-G831 PolarHBondContact O-N 3.49Å; V828-F832 PolarHBondContact O-N 3.23Å; V828-L945 HydrophobicContact CG1-CD2 4.4Å; V828-L945 HydrophobicContact CG1-CG 4.31Å; V828-L945 HydrophobicContact CG2-CB 4.24Å; V828-L945 HydrophobicContact CG2-CD2 3.79Å; V828-L945 HydrophobicContact CG2-CG 4.14Å |
| 829 | I | 80.3 | Confident | 77 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 42% | 0.415 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 177 | -69.9 | 166.7 | 0 | 0 | 0 | 110 | P825 G831 F832 F833 | P825-I829 WeakPolarHBondContact O-CB 3.31Å; P825-I829 WeakPolarHBondContact O-CD1 3.34Å; P825-I829 WeakPolarHBondContact O-CG1 3.28Å; P825-I829 PolarHBondContact O-N 2.87Å; I829-G831 PolarHBondContact O-N 3.33Å; I829-F832 WeakPolarHBondContact O-CB 3.38Å; I829-F832 PolarHBondContact O-N 2.82Å; I829-F833 HydrophobicContact CG2-CD2 3.62Å; I829-F833 HydrophobicContact CG2-CE2 3.65Å; I829-F833 WeakPolarHBondContact O-CD2 3.5Å; I829-F833 PolarHBondContact O-N 3.16Å |
| 830 | G | 76.3 | Confident | 75.1 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L826 I827 V828 F832 F833 Q834 | L826-G830 PolarHBondContact O-N 3Å; I827-G830 PolarHBondContact O-N 3Å; V828-G830 VanDerWaalsContact C-N 3.32Å; G830-F832 VanDerWaalsContact C-N 3.33Å; G830-F832 PolarHBondContact O-N 3.49Å; G830-F833 PolarHBondContact O-N 3.4Å; G830-Q834 WeakPolarHBondContact O-CB 3.31Å; G830-Q834 PolarHBondContact O-N 2.86Å |
| 831 | G | 73.2 | Confident | 73 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | I827 V828 I829 M835 G946 | I827-G831 PolarHBondContact O-N 3.31Å; V828-G831 PolarHBondContact O-N 3.49Å; I829-G831 PolarHBondContact O-N 3.33Å; G831-M835 PolarHBondContact O-N 3.13Å; G831-G946 CarbonylContact C-O 3.5Å |
| 832 | F | 74.1 | Confident | 71 | Confident | 52 Ų | 52 | 56.8 Ų | 56.8 | 23% | 0.228 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 175.5 | 175.7 | -98.8 | 0 | 0 | 0 | 112.3 | V828 I829 G830 R836 A949 L953 | V828-F832 PolarHBondContact O-N 3.23Å; I829-F832 WeakPolarHBondContact O-CB 3.38Å; I829-F832 PolarHBondContact O-N 2.82Å; G830-F832 VanDerWaalsContact C-N 3.33Å; G830-F832 PolarHBondContact O-N 3.49Å; F832-R836 WeakPolarHBondContact O-CB 3.32Å; F832-R836 PolarHBondContact O-N 3.29Å; F832-A949 HydrophobicContact CB-CB 4.19Å; F832-A949 HydrophobicContact CD2-CB 4.03Å; F832-L953 HydrophobicContact CE2-CD1 4.48Å; F832-L953 HydrophobicContact CE2-CD2 4.17Å; F832-L953 HydrophobicContact CE2-CG 4.12Å; F832-L953 HydrophobicContact CZ-CD2 4.01Å; F832-L953 HydrophobicContact CZ-CG 4.43Å |
| 833 | F | 70.2 | Confident | 68.9 | Low | 37 Ų | 37 | 53.6 Ų | 53.6 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.5 | -42.7 | 178.6 | -85.2 | -76.2 | 0 | 0 | 0 | 112.5 | I829 G830 M835 R836 T837 F894 M898 | I829-F833 HydrophobicContact CG2-CD2 3.62Å; I829-F833 HydrophobicContact CG2-CE2 3.65Å; I829-F833 WeakPolarHBondContact O-CD2 3.5Å; I829-F833 PolarHBondContact O-N 3.16Å; G830-F833 PolarHBondContact O-N 3.4Å; F833-M835 PolarHBondContact O-N 2.85Å; F833-R836 WeakPolarHBondContact O-CB 3.44Å; F833-R836 PolarHBondContact O-N 3.3Å; F833-R836 VanDerWaalsContact O-N 3.11Å; F833-T837 PolarHBondContact O-N 3.01Å; F833-F894 HydrophobicContact CE1-CE1 4.09Å; F833-F894 HydrophobicContact CZ-CE1 4.23Å; F833-M898 HydrophobicContact CB-CB 4.16Å; F833-M898 HydrophobicContact CD1-CB 4.26Å; F833-M898 HydrophobicContact CD1-CG 4.26Å; F833-M898 HydrophobicContact CD2-CB 4.27Å; F833-M898 HydrophobicContact CD2-CG 4.25Å; F833-M898 HydrophobicContact CD2-SD 4.37Å; F833-M898 HydrophobicContact CE1-CG 4.3Å; F833-M898 HydrophobicContact CE2-CG 4.29Å; F833-M898 HydrophobicContact CE2-SD 4.17Å; F833-M898 HydrophobicContact CG-CB 3.99Å; F833-M898 HydrophobicContact CG-CG 4.25Å; F833-M898 HydrophobicContact CZ-CG 4.32Å |
| 834 | Q | 69.2 | Low | 66.9 | Low | 71 Ų | 71 | 57 Ų | 57 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.2 | -36.8 | 176.5 | -178.8 | 178.8 | 22.8 | 0 | 0 | 112.2 | G830 T837 Y899 | G830-Q834 WeakPolarHBondContact O-CB 3.31Å; G830-Q834 PolarHBondContact O-N 2.86Å; Q834-T837 PolarHBondContact O-OG1 3.43Å; Q834-Y899 HydrophobicContact CG-CE2 4.49Å |
| 835 | M | 64.4 | Low | 64.8 | Low | 85 Ų | 85 | 65.3 Ų | 65.3 | 42% | 0.419 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -91.9 | -20.8 | -179.3 | -173.6 | 77.2 | 161.8 | 0 | 0 | 112.3 | G831 F833 T837 L838 S839 T950 | G831-M835 PolarHBondContact O-N 3.13Å; F833-M835 PolarHBondContact O-N 2.85Å; M835-T837 VanDerWaalsContact C-N 3.35Å; M835-L838 PolarHBondContact O-N 3.32Å; M835-L838 HydrophobicContact SD-CB 4.25Å; M835-L838 HydrophobicContact SD-CD1 3.57Å; M835-L838 VanDerWaalsContact SD-CD1 3.57Å; M835-S839 PolarHBondContact O-N 3.28Å; M835-T950 HydrophobicContact CB-CG2 3.2Å; M835-T950 HydrophobicContact CG-CG2 3.12Å |
| 836 | R | 64.5 | Low | 63 | Low | 118 Ų | 118 | 65.4 Ų | 65.4 | 45% | 0.445 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 167.2 | -175.6 | 179.5 | 174.9 | -179.1 | -3.1 | 111.5 | F832 F833 L838 S839 | F832-R836 WeakPolarHBondContact O-CB 3.32Å; F832-R836 PolarHBondContact O-N 3.29Å; F833-R836 WeakPolarHBondContact O-CB 3.44Å; F833-R836 PolarHBondContact O-N 3.3Å; F833-R836 VanDerWaalsContact O-N 3.11Å; R836-L838 VanDerWaalsContact C-N 3.35Å; R836-S839 PolarHBondContact O-N 3.04Å; R836-S839 VanDerWaalsContact O-N 3.17Å; R836-S839 PolarHBondContact O-OG 3.46Å |
| 837 | T | 59.8 | Low | 61.7 | Low | 48 Ų | 48 | 63.2 Ų | 63.2 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 175.7 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | F833 Q834 M835 S839 G840 | F833-T837 PolarHBondContact O-N 3.01Å; Q834-T837 PolarHBondContact O-OG1 3.43Å; M835-T837 VanDerWaalsContact C-N 3.35Å; T837-S839 VanDerWaalsContact C-N 3.25Å; T837-S839 PolarHBondContact O-N 3.48Å; T837-G840 PolarHBondContact O-N 3.14Å |
| 838 | L | 55.4 | Low | 60.9 | Low | 89 Ų | 89 | 65.3 Ų | 65.3 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.7 | -31.2 | 172.4 | -69.7 | 170.1 | 0 | 0 | 0 | 113.2 | M835 R836 G840 | M835-L838 PolarHBondContact O-N 3.32Å; M835-L838 HydrophobicContact SD-CB 4.25Å; M835-L838 HydrophobicContact SD-CD1 3.57Å; M835-L838 VanDerWaalsContact SD-CD1 3.57Å; R836-L838 VanDerWaalsContact C-N 3.35Å; L838-G840 VanDerWaalsContact C-N 3.26Å; L838-G840 PolarHBondContact O-N 3.23Å |
| 839 | S | 51 | Low | 60.4 | Low | 61 Ų | 61 | 68.4 Ų | 68.4 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -4.2 | 179.3 | 75.7 | 0 | 0 | 0 | 0 | 115 | M835 R836 T837 S841 | M835-S839 PolarHBondContact O-N 3.28Å; R836-S839 PolarHBondContact O-N 3.04Å; R836-S839 VanDerWaalsContact O-N 3.17Å; R836-S839 PolarHBondContact O-OG 3.46Å; T837-S839 VanDerWaalsContact C-N 3.25Å; T837-S839 PolarHBondContact O-N 3.48Å; S839-S841 PolarHBondContact O-N 3.34Å |
| 840 | G | 52.7 | Low | 60.3 | Low | 31 Ų | 31 | 65 Ų | 65 | 32% | 0.32 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 2.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | T837 L838 S842 S843 | T837-G840 PolarHBondContact O-N 3.14Å; L838-G840 VanDerWaalsContact C-N 3.26Å; L838-G840 PolarHBondContact O-N 3.23Å; G840-S842 PolarHBondContact O-N 3.46Å; G840-S843 PolarHBondContact O-N 2.96Å |
| 841 | S | 45.4 | Very low | 60.5 | Low | 86 Ų | 86 | 66.3 Ų | 66.3 | 60% | 0.601 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -10.7 | -165.4 | -178.5 | 0 | 0 | 0 | 0 | 115.3 | S839 | S839-S841 PolarHBondContact O-N 3.34Š|
| 842 | S | 46.7 | Very low | 60.9 | Low | 63 Ų | 63 | 70.7 Ų | 70.7 | 44% | 0.441 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -21.6 | 179.6 | 51 | 0 | 0 | 0 | 0 | 114.5 | G840 | G840-S842 PolarHBondContact O-N 3.46Š|
| 843 | S | 47.6 | Very low | 61.4 | Low | 31 Ų | 31 | 68.4 Ų | 68.4 | 22% | 0.217 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -35.4 | -172.3 | -172.3 | 0 | 0 | 0 | 0 | 113.6 | G840 R845 | G840-S843 PolarHBondContact O-N 2.96Å; S843-R845 VanDerWaalsContact C-N 3.33Å; S843-R845 PolarHBondContact O-N 3.35Å |
| 844 | I | 47.1 | Very low | 62.2 | Low | 114 Ų | 114 | 66.7 Ų | 66.7 | 59% | 0.585 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -29.8 | -165.2 | -59.9 | 171 | 0 | 0 | 0 | 112.9 | N846 N848 | I844-N846 PolarHBondContact O-N 3.33Å; I844-N848 PolarHBondContact O-OD1 3.11Å |
| 845 | R | 44.7 | Very low | 63.1 | Low | 192 Ų | 192 | 65 Ų | 65 | 73% | 0.725 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -24.8 | -167.7 | -156.6 | 172.3 | 164.8 | -171.2 | -7.1 | 114 | S843 | S843-R845 VanDerWaalsContact C-N 3.33Å; S843-R845 PolarHBondContact O-N 3.35Å |
| 846 | N | 49.4 | Very low | 64.1 | Low | 70 Ų | 70 | 61.4 Ų | 61.4 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -10.9 | -175.3 | -64.5 | -13.9 | 0 | 0 | 0 | 113.5 | I844 N884 N888 | I844-N846 PolarHBondContact O-N 3.33Å; N846-N884 VanDerWaalsContact CB-OD1 3.23Å; N846-N884 WeakPolarHBondContact CB-OD1 3.37Å; N846-N888 PolarHBondContact ND2-OD1 3.45Å |
| 847 | A | 58.9 | Low | 65.3 | Low | 28 Ų | 28 | 56 Ų | 56 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -85.1 | -4.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E849 M851 | A847-E849 PolarHBondContact O-N 3.27Å; A847-M851 WeakPolarHBondContact O-CB 3.17Å; A847-M851 PolarHBondContact O-N 3.39Å |
| 848 | N | 65.3 | Low | 66.7 | Low | 70 Ų | 70 | 54.1 Ų | 54.1 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.5 | -33.8 | -170.5 | -70.3 | -19.6 | 0 | 0 | 0 | 113.6 | I844 M851 R852 | I844-N848 PolarHBondContact O-OD1 3.11Å; N848-M851 PolarHBondContact O-N 3.1Å; N848-R852 WeakPolarHBondContact O-CB 3.25Å; N848-R852 PolarHBondContact O-N 3.1Å |
| 849 | E | 72.3 | Confident | 68.1 | Low | 92 Ų | 92 | 52.2 Ų | 52.2 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71.1 | -48.6 | -177.5 | -69.4 | 176.2 | -176.2 | 0 | 0 | 112.2 | A847 M851 R852 I853 H880 | A847-E849 PolarHBondContact O-N 3.27Å; E849-M851 PolarHBondContact O-N 2.95Å; E849-R852 WeakPolarHBondContact O-CB 3.47Å; E849-R852 PolarHBondContact O-N 3.4Å; E849-R852 VanDerWaalsContact O-N 3.15Å; E849-I853 PolarHBondContact O-N 2.83Å; E849-I853 VanDerWaalsContact O-N 3.14Å; E849-H880 IonicContact OE2-CE1 3.5Å; E849-H880 PolarHBondContact OE2-CE1 2.85Å; E849-H880 VanDerWaalsContact OE2-CE1 3.32Å; E849-H880 IonicContact OE2-ND1 2.87Å; E849-H880 PolarHBondContact OE2-ND1 2.93Å |
| 850 | S | 77.7 | Confident | 69.9 | Low | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.8 | -37.5 | 174.2 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | A854 F877 | S850-A854 PolarHBondContact O-N 3.4Å; S850-A854 VanDerWaalsContact O-N 3.09Å; S850-F877 WeakPolarHBondContact O-CD2 3.36Å; S850-F877 VanDerWaalsContact O-CE2 3.22Å; S850-F877 WeakPolarHBondContact O-CE2 3.1Å |
| 851 | M | 80.8 | Confident | 71.7 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 177.1 | -167.5 | 60.1 | 55.1 | 0 | 0 | 112.4 | I121 L124 A847 N848 E849 A854 Q855 | I121-M851 HydrophobicContact CG2-CG 4.36Å; I121-M851 HydrophobicContact CG2-SD 3.73Å; L124-M851 HydrophobicContact CB-CE 3.94Å; L124-M851 HydrophobicContact CB-SD 4.25Å; L124-M851 HydrophobicContact CD2-CE 3.77Å; L124-M851 HydrophobicContact CD2-SD 3.81Å; L124-M851 HydrophobicContact CG-CE 3.65Å; L124-M851 HydrophobicContact CG-SD 4.22Å; A847-M851 WeakPolarHBondContact O-CB 3.17Å; A847-M851 PolarHBondContact O-N 3.39Å; N848-M851 PolarHBondContact O-N 3.1Å; E849-M851 PolarHBondContact O-N 2.95Å; M851-A854 PolarHBondContact O-N 3.37Å; M851-Q855 PolarHBondContact O-N 3.14Å |
| 852 | R | 81.8 | Confident | 73.7 | Confident | 106 Ų | 106 | 48.1 Ų | 48.1 | 40% | 0.4 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 177.6 | -170.7 | 178.2 | 67 | 157.6 | 16.2 | 111.7 | E429 N848 E849 A854 Q855 E856 | E429-R852 IonicContact OE1-CZ 3.16Å; E429-R852 IonicContact OE1-NH1 2.98Å; E429-R852 PolarHBondContact OE1-NH1 3.05Å; E429-R852 IonicContact OE1-NH2 3.75Å; E429-R852 PolarHBondContact OE1-NH2 3.36Å; E429-R852 IonicContact OE2-CZ 2.74Å; E429-R852 IonicContact OE2-NE 3.59Å; E429-R852 PolarHBondContact OE2-NE 2.85Å; E429-R852 IonicContact OE2-NH1 3.8Å; E429-R852 PolarHBondContact OE2-NH1 3.46Å; E429-R852 IonicContact OE2-NH2 3.78Å; E429-R852 PolarHBondContact OE2-NH2 2.86Å; N848-R852 WeakPolarHBondContact O-CB 3.25Å; N848-R852 PolarHBondContact O-N 3.1Å; E849-R852 WeakPolarHBondContact O-CB 3.47Å; E849-R852 PolarHBondContact O-N 3.4Å; E849-R852 VanDerWaalsContact O-N 3.15Å; R852-A854 VanDerWaalsContact C-N 3.31Å; R852-A854 PolarHBondContact O-N 2.78Å; R852-Q855 PolarHBondContact O-N 2.74Å; R852-E856 WeakPolarHBondContact O-CB 3.34Å; R852-E856 PolarHBondContact O-N 3.29Å |
| 853 | I | 85.3 | Confident | 75.8 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 174.4 | -63.9 | 162.4 | 0 | 0 | 0 | 110.5 | E849 Q855 E856 V857 F873 R876 H880 | E849-I853 PolarHBondContact O-N 2.83Å; E849-I853 VanDerWaalsContact O-N 3.14Å; I853-Q855 PolarHBondContact O-N 3.44Å; I853-E856 PolarHBondContact O-N 3.34Å; I853-V857 HydrophobicContact CG2-CG2 4.42Å; I853-V857 WeakPolarHBondContact O-CB 3.25Å; I853-V857 VanDerWaalsContact O-CG2 3.22Å; I853-V857 WeakPolarHBondContact O-CG2 3.49Å; I853-V857 PolarHBondContact O-N 3.07Å; I853-V857 VanDerWaalsContact O-N 3.08Å; I853-F873 HydrophobicContact CG2-CD1 4.18Å; I853-R876 HydrophobicContact CD1-CG 3.93Å; I853-H880 VanDerWaalsContact CD1-CD2 3.48Å; I853-H880 WeakPolarHBondContact CD1-CD2 3.37Å |
| 854 | A | 86.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -40.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F101 L124 S850 M851 R852 V857 I858 F877 | F101-A854 HydrophobicContact CD2-CB 4.23Å; F101-A854 HydrophobicContact CE2-CB 3.87Å; L124-A854 HydrophobicContact CD2-CB 3.43Å; L124-A854 VanDerWaalsContact CD2-CB 3.43Å; S850-A854 PolarHBondContact O-N 3.4Å; S850-A854 VanDerWaalsContact O-N 3.09Å; M851-A854 PolarHBondContact O-N 3.37Å; R852-A854 VanDerWaalsContact C-N 3.31Å; R852-A854 PolarHBondContact O-N 2.78Å; A854-V857 PolarHBondContact O-N 3.14Å; A854-I858 WeakPolarHBondContact O-CB 3.24Å; A854-I858 WeakPolarHBondContact O-CD1 3.48Å; A854-I858 WeakPolarHBondContact O-CG1 3.4Å; A854-I858 PolarHBondContact O-N 3.49Å; A854-F877 HydrophobicContact CB-CE2 4.24Å |
| 855 | Q | 86.5 | Confident | 80 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 17% | 0.173 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62 | -46.6 | 176.3 | 176.3 | 177.8 | -33.7 | 0 | 0 | 111.8 | I121 M851 R852 I853 V857 I858 G859 | I121-Q855 HydrophobicContact CD1-CB 3.8Å; I121-Q855 HydrophobicContact CD1-CG 3.74Å; I121-Q855 HydrophobicContact CG1-CB 4.48Å; M851-Q855 PolarHBondContact O-N 3.14Å; R852-Q855 PolarHBondContact O-N 2.74Å; I853-Q855 PolarHBondContact O-N 3.44Å; Q855-V857 VanDerWaalsContact C-N 3.34Å; Q855-V857 PolarHBondContact O-N 3Å; Q855-I858 PolarHBondContact O-N 3.43Å; Q855-G859 PolarHBondContact O-N 3.47Å |
| 856 | E | 86.3 | Confident | 82.2 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 178.5 | -178.8 | -178 | -162.4 | 0 | 0 | 112 | F428 E429 R852 I853 S860 | F428-E856 WeakPolarHBondContact CA-OE1 3.47Å; F428-E856 WeakPolarHBondContact CB-OE1 3.48Å; F428-E856 HydrophobicContact CD1-CG 3.92Å; F428-E856 WeakPolarHBondContact CD1-OE1 3.49Å; E429-E856 PolarHBondContact N-OE1 3.38Å; R852-E856 WeakPolarHBondContact O-CB 3.34Å; R852-E856 PolarHBondContact O-N 3.29Å; I853-E856 PolarHBondContact O-N 3.34Å; E856-S860 VanDerWaalsContact O-CB 3.25Å; E856-S860 WeakPolarHBondContact O-CB 3.42Å; E856-S860 PolarHBondContact O-N 3.28Å; E856-S860 PolarHBondContact O-OG 3.34Å |
| 857 | V | 90 | Very high | 84.2 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.9 | -45.6 | -179.7 | 169.1 | 0 | 0 | 0 | 0 | 112.2 | F101 L105 I853 A854 Q855 S860 S861 V864 F873 | F101-V857 HydrophobicContact CE2-CG1 4.41Å; F101-V857 HydrophobicContact CZ-CB 4.37Å; F101-V857 HydrophobicContact CZ-CG1 4.2Å; F101-V857 HydrophobicContact CZ-CG2 4.34Å; L105-V857 HydrophobicContact CD2-CG1 3.51Å; I853-V857 HydrophobicContact CG2-CG2 4.42Å; I853-V857 WeakPolarHBondContact O-CB 3.25Å; I853-V857 VanDerWaalsContact O-CG2 3.22Å; I853-V857 WeakPolarHBondContact O-CG2 3.49Å; I853-V857 PolarHBondContact O-N 3.07Å; I853-V857 VanDerWaalsContact O-N 3.08Å; A854-V857 PolarHBondContact O-N 3.14Å; Q855-V857 VanDerWaalsContact C-N 3.34Å; Q855-V857 PolarHBondContact O-N 3Å; V857-S860 CarbonylContact O-C 3.51Å; V857-S860 PolarHBondContact O-N 2.92Å; V857-S861 WeakPolarHBondContact O-CA 3.2Å; V857-S861 PolarHBondContact O-N 3.16Å; V857-S861 VanDerWaalsContact O-N 3.14Å; V857-V864 HydrophobicContact CG1-CG1 4.46Å; V857-V864 HydrophobicContact CG1-CG2 4.4Å; V857-F873 HydrophobicContact CG2-CB 3.68Å; V857-F873 HydrophobicContact CG2-CD1 3.33Å; V857-F873 HydrophobicContact CG2-CD2 3.94Å; V857-F873 HydrophobicContact CG2-CE1 3.87Å; V857-F873 HydrophobicContact CG2-CE2 4.42Å; V857-F873 HydrophobicContact CG2-CG 3.37Å; V857-F873 HydrophobicContact CG2-CZ 4.39Å |
| 858 | I | 88.3 | Confident | 85.7 | Confident | 8 Ų | 8 | 26.7 Ų | 26.7 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.7 | -39.6 | -179.2 | -66.9 | 166.3 | 0 | 0 | 0 | 110.3 | I104 A117 L120 I121 A854 Q855 S860 | I104-I858 HydrophobicContact CG2-CG1 4.33Å; A117-I858 HydrophobicContact CB-CG2 3.66Å; L120-I858 HydrophobicContact CB-CD1 3.96Å; L120-I858 HydrophobicContact CB-CG2 4.48Å; L120-I858 HydrophobicContact CD1-CG2 3.99Å; I121-I858 HydrophobicContact CG1-CD1 4.14Å; A854-I858 WeakPolarHBondContact O-CB 3.24Å; A854-I858 WeakPolarHBondContact O-CD1 3.48Å; A854-I858 WeakPolarHBondContact O-CG1 3.4Å; A854-I858 PolarHBondContact O-N 3.49Å; Q855-I858 PolarHBondContact O-N 3.43Å; I858-S860 PolarHBondContact O-N 3.18Å |
| 859 | G | 85.9 | Confident | 86.9 | Confident | 49 Ų | 49 | 23.5 Ų | 23.5 | 51% | 0.505 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -67.9 | -19.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q855 | Q855-G859 PolarHBondContact O-N 3.47Å |
| 860 | S | 88.3 | Confident | 87.9 | Confident | 17 Ų | 17 | 19.7 Ų | 19.7 | 12% | 0.119 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 28.5 | -175.7 | -47.7 | 0 | 0 | 0 | 0 | 112.6 | V426 E856 V857 I858 Y862 T863 V864 | V426-S860 WeakPolarHBondContact CG1-OG 3.3Å; E856-S860 VanDerWaalsContact O-CB 3.25Å; E856-S860 WeakPolarHBondContact O-CB 3.42Å; E856-S860 PolarHBondContact O-N 3.28Å; E856-S860 PolarHBondContact O-OG 3.34Å; V857-S860 CarbonylContact O-C 3.51Å; V857-S860 PolarHBondContact O-N 2.92Å; I858-S860 PolarHBondContact O-N 3.18Å; S860-Y862 VanDerWaalsContact C-N 3.26Å; S860-Y862 PolarHBondContact O-N 3.42Å; S860-T863 PolarHBondContact O-N 3.5Å; S860-V864 WeakPolarHBondContact O-CG2 3.15Å; S860-V864 PolarHBondContact O-N 2.99Å |
| 861 | S | 89.9 | Confident | 88.5 | Confident | 14 Ų | 14 | 23 Ų | 23 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.9 | -36.3 | -170 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | V857 T865 | V857-S861 WeakPolarHBondContact O-CA 3.2Å; V857-S861 PolarHBondContact O-N 3.16Å; V857-S861 VanDerWaalsContact O-N 3.14Å; S861-T865 WeakPolarHBondContact O-CB 3.32Å; S861-T865 PolarHBondContact O-N 3.42Å; S861-T865 PolarHBondContact O-OG1 2.89Å |
| 862 | Y | 88.8 | Confident | 89.1 | Confident | 61 Ų | 61 | 25.4 Ų | 25.4 | 24% | 0.239 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -50.1 | 175.1 | -80.6 | -99.7 | 0 | 0 | 0 | 111.9 | I109 D113 F391 Y392 S860 T865 A866 | I109-Y862 HydrophobicContact CD1-CD1 3.54Å; I109-Y862 HydrophobicContact CD1-CD2 4.31Å; I109-Y862 HydrophobicContact CD1-CE1 3.88Å; I109-Y862 HydrophobicContact CD1-CG 3.78Å; I109-Y862 HydrophobicContact CG2-CD1 4.15Å; I109-Y862 HydrophobicContact CG2-CD2 4.41Å; I109-Y862 HydrophobicContact CG2-CE1 3.47Å; I109-Y862 VanDerWaalsContact CG2-CE1 3.47Å; I109-Y862 HydrophobicContact CG2-CE2 3.78Å; I109-Y862 WeakPolarHBondContact CG2-OH 3.48Å; D113-Y862 PolarHBondContact OD1-OH 2.93Å; F391-Y862 AromaticContact CD2-CD1 3.92Å; F391-Y862 HydrophobicContact CD2-CD1 3.92Å; F391-Y862 HydrophobicContact CD2-CE1 4.06Å; F391-Y862 AromaticContact CE2-CD1 3.68Å; F391-Y862 HydrophobicContact CE2-CD1 3.68Å; F391-Y862 HydrophobicContact CE2-CE1 4.29Å; F391-Y862 HydrophobicContact CZ-CD1 4.47Å; Y392-Y862 PolarHBondContact OH-OH 3.32Å; S860-Y862 VanDerWaalsContact C-N 3.26Å; S860-Y862 PolarHBondContact O-N 3.42Å; Y862-T865 PolarHBondContact O-N 3.32Å; Y862-A866 VanDerWaalsContact O-CB 3.3Å; Y862-A866 WeakPolarHBondContact O-CB 3.49Å; Y862-A866 PolarHBondContact O-N 3.49Å |
| 863 | T | 90.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.7 | -44.7 | 179.3 | -42.5 | 0 | 0 | 0 | 0 | 110.8 | Q422 V426 F428 S860 T865 A866 F867 | Q422-T863 PolarHBondContact OE1-OG1 3.28Å; V426-T863 HydrophobicContact CB-CG2 4.45Å; F428-T863 HydrophobicContact CE2-CG2 3.99Å; F428-T863 HydrophobicContact CZ-CG2 4.07Å; S860-T863 PolarHBondContact O-N 3.5Å; T863-T865 VanDerWaalsContact C-N 3.28Å; T863-T865 PolarHBondContact O-N 3.1Å; T863-A866 PolarHBondContact O-N 2.95Å; T863-F867 HydrophobicContact CG2-CD2 3.79Å; T863-F867 HydrophobicContact CG2-CE2 4.01Å; T863-F867 WeakPolarHBondContact O-CD2 3.24Å; T863-F867 PolarHBondContact O-N 2.88Å |
| 864 | V | 91.7 | Very high | 90 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | 177.8 | 174.7 | 0 | 0 | 0 | 0 | 111 | L105 F428 V857 S860 T868 L869 E870 F873 | L105-V864 HydrophobicContact CD2-CG1 4.44Å; F428-V864 HydrophobicContact CE1-CG2 3.85Å; F428-V864 HydrophobicContact CZ-CG2 3.82Å; V857-V864 HydrophobicContact CG1-CG1 4.46Å; V857-V864 HydrophobicContact CG1-CG2 4.4Å; S860-V864 WeakPolarHBondContact O-CG2 3.15Å; S860-V864 PolarHBondContact O-N 2.99Å; V864-T868 PolarHBondContact O-N 3Å; V864-T868 VanDerWaalsContact O-N 3.16Å; V864-L869 HydrophobicContact CG1-CB 4.02Å; V864-L869 PolarHBondContact O-N 2.9Å; V864-E870 HydrophobicContact CG1-CG 4.25Å; V864-F873 HydrophobicContact CG1-CD2 4.18Å; V864-F873 HydrophobicContact CG2-CD2 4.19Å; V864-F873 HydrophobicContact CG2-CE2 3.95Å |
| 865 | T | 91.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.6 | -37.4 | -179.1 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | I109 K326 F391 R415 S861 Y862 T863 T868 E870 | I109-T865 HydrophobicContact CD1-CG2 4.36Å; I109-T865 HydrophobicContact CG1-CG2 4.32Å; K326-T865 HydrophobicContact CD-CG2 4.43Å; K326-T865 PolarHBondContact NZ-OG1 3.47Å; F391-T865 HydrophobicContact CD1-CG2 4.33Å; F391-T865 HydrophobicContact CE1-CG2 3.88Å; R415-T865 WeakPolarHBondContact CD-O 3.3Å; R415-T865 PolarHBondContact NH1-O 3.46Å; S861-T865 WeakPolarHBondContact O-CB 3.32Å; S861-T865 PolarHBondContact O-N 3.42Å; S861-T865 PolarHBondContact O-OG1 2.89Å; Y862-T865 PolarHBondContact O-N 3.32Å; T863-T865 VanDerWaalsContact C-N 3.28Å; T863-T865 PolarHBondContact O-N 3.1Å; T865-T868 PolarHBondContact O-N 3.42Å; T865-E870 WeakPolarHBondContact CA-OE1 3.28Å |
| 866 | A | 90.2 | Very high | 90.5 | Very high | 8 Ų | 8 | 29.7 Ų | 29.7 | 7% | 0.066 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F391 Y862 T863 T868 | F391-A866 HydrophobicContact CZ-CB 4.08Å; Y862-A866 VanDerWaalsContact O-CB 3.3Å; Y862-A866 WeakPolarHBondContact O-CB 3.49Å; Y862-A866 PolarHBondContact O-N 3.49Å; T863-A866 PolarHBondContact O-N 2.95Å; A866-T868 VanDerWaalsContact C-N 3.35Å; A866-T868 PolarHBondContact O-N 3.41Å |
| 867 | F | 91 | Very high | 90.6 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 13.3 | -178.4 | -70.8 | -83.7 | 0 | 0 | 0 | 113.8 | R491 A492 R495 T863 L869 | R491-F867 HydrophobicContact CG-CD1 4.36Å; R491-F867 HydrophobicContact CG-CE1 3.87Å; R491-F867 HydrophobicContact CG-CZ 4.02Å; A492-F867 HydrophobicContact CB-CZ 4.47Å; R495-F867 VanDerWaalsContact NH2-C 3.26Å; R495-F867 PolarHBondContact NH2-O 3.38Å; T863-F867 HydrophobicContact CG2-CD2 3.79Å; T863-F867 HydrophobicContact CG2-CE2 4.01Å; T863-F867 WeakPolarHBondContact O-CD2 3.24Å; T863-F867 PolarHBondContact O-N 2.88Å; F867-L869 HydrophobicContact CB-CD1 3.78Å; F867-L869 HydrophobicContact CB-CG 3.76Å; F867-L869 WeakPolarHBondContact O-CG 3.35Å; F867-L869 PolarHBondContact O-N 3.17Å |
| 868 | T | 90.9 | Very high | 90.7 | Very high | 27 Ų | 27 | 32.9 Ų | 32.9 | 17% | 0.166 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 35 | 176 | 51 | 0 | 0 | 0 | 0 | 113.8 | K412 R415 N416 V864 T865 A866 E870 | K412-T868 HydrophobicContact CG-CG2 4.49Å; R415-T868 HydrophobicContact CB-CG2 3.75Å; N416-T868 PolarHBondContact OD1-OG1 3.26Å; V864-T868 PolarHBondContact O-N 3Å; V864-T868 VanDerWaalsContact O-N 3.16Å; T865-T868 PolarHBondContact O-N 3.42Å; A866-T868 VanDerWaalsContact C-N 3.35Å; A866-T868 PolarHBondContact O-N 3.41Å; T868-E870 VanDerWaalsContact C-N 3.34Å; T868-E870 WeakPolarHBondContact CA-OE2 3.43Å; T868-E870 PolarHBondContact O-N 2.67Å |
| 869 | L | 91.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | trans | -87.8 | 4 | -171.6 | -72.7 | 174.7 | 0 | 0 | 0 | 114 | F428 L438 L441 V864 F867 D871 Y872 F873 | F428-L869 HydrophobicContact CE2-CD1 4.3Å; F428-L869 HydrophobicContact CZ-CD1 4.48Å; L438-L869 HydrophobicContact CB-CD1 3.97Å; L438-L869 HydrophobicContact CB-CD2 4.24Å; L438-L869 HydrophobicContact CD1-CD1 4.42Å; L438-L869 HydrophobicContact CD2-CD1 4.19Å; L438-L869 HydrophobicContact CD2-CD2 3.89Å; L438-L869 HydrophobicContact CG-CD1 4.41Å; L438-L869 WeakPolarHBondContact O-CD2 3.26Å; L441-L869 HydrophobicContact CD2-CD2 4.15Å; V864-L869 HydrophobicContact CG1-CB 4.02Å; V864-L869 PolarHBondContact O-N 2.9Å; F867-L869 HydrophobicContact CB-CD1 3.78Å; F867-L869 HydrophobicContact CB-CG 3.76Å; F867-L869 WeakPolarHBondContact O-CG 3.35Å; F867-L869 PolarHBondContact O-N 3.17Å; L869-D871 VanDerWaalsContact C-N 3.34Å; L869-D871 PolarHBondContact O-N 2.98Å; L869-Y872 PolarHBondContact O-N 3.29Å; L869-F873 HydrophobicContact CB-CD2 3.96Å; L869-F873 HydrophobicContact CB-CE2 3.99Å; L869-F873 HydrophobicContact CD1-CE2 4.13Å; L869-F873 WeakPolarHBondContact O-CD2 3.17Å; L869-F873 PolarHBondContact O-N 3.29Å; L869-F873 VanDerWaalsContact O-N 3.17Å | ||
| 870 | E | 91.8 | Very high | 90.8 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58 | -44.8 | -173.6 | -62.8 | 92.3 | 160 | 0 | 0 | 112.3 | L105 K326 V864 T865 T868 Y872 F873 F874 | L105-E870 HydrophobicContact CB-CB 4.17Å; L105-E870 HydrophobicContact CB-CG 4.26Å; L105-E870 HydrophobicContact CD1-CB 4.47Å; L105-E870 WeakPolarHBondContact CD1-O 3.22Å; L105-E870 HydrophobicContact CD2-CB 4.25Å; L105-E870 HydrophobicContact CD2-CG 4.17Å; K326-E870 VanDerWaalsContact CD-OE1 3.28Å; K326-E870 WeakPolarHBondContact CD-OE1 3.43Å; K326-E870 IonicContact NZ-OE1 2.67Å; K326-E870 PolarHBondContact NZ-OE1 2.63Å; V864-E870 HydrophobicContact CG1-CG 4.25Å; T865-E870 WeakPolarHBondContact CA-OE1 3.28Å; T868-E870 VanDerWaalsContact C-N 3.34Å; T868-E870 WeakPolarHBondContact CA-OE2 3.43Å; T868-E870 PolarHBondContact O-N 2.67Å; E870-Y872 VanDerWaalsContact C-N 3.32Å; E870-Y872 PolarHBondContact O-N 3.25Å; E870-F873 PolarHBondContact O-N 3.07Å; E870-F874 VanDerWaalsContact O-CB 3.31Å; E870-F874 WeakPolarHBondContact O-CB 3.41Å; E870-F874 PolarHBondContact O-N 2.71Å |
| 871 | D | 91.7 | Very high | 90.5 | Very high | 79 Ų | 79 | 34.9 Ų | 34.9 | 42% | 0.422 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.2 | -31.5 | -178 | -69.9 | -41.1 | 0 | 0 | 0 | 112.3 | K412 L869 K875 | K412-D871 IonicContact NZ-OD2 2.76Å; K412-D871 PolarHBondContact NZ-OD2 3.35Å; L869-D871 VanDerWaalsContact C-N 3.34Å; L869-D871 PolarHBondContact O-N 2.98Å; D871-K875 WeakPolarHBondContact O-CG 3.34Å; D871-K875 PolarHBondContact O-N 3.25Å; D871-K875 VanDerWaalsContact O-N 3.16Å |
| 872 | Y | 92.2 | Very high | 90.3 | Very high | 82 Ų | 82 | 37 Ų | 37 | 32% | 0.322 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.2 | -52.5 | 176.1 | 171.3 | -98.9 | 0 | 0 | 0 | 111.1 | L438 L441 L869 E870 F874 K875 R876 | L438-Y872 HydrophobicContact CD2-CD1 3.87Å; L438-Y872 HydrophobicContact CD2-CE1 3.62Å; L441-Y872 HydrophobicContact CD2-CD2 3.96Å; L441-Y872 HydrophobicContact CD2-CE2 4.44Å; L441-Y872 HydrophobicContact CD2-CG 4.23Å; L869-Y872 PolarHBondContact O-N 3.29Å; E870-Y872 VanDerWaalsContact C-N 3.32Å; E870-Y872 PolarHBondContact O-N 3.25Å; Y872-F874 VanDerWaalsContact C-N 3.3Å; Y872-F874 PolarHBondContact O-N 2.8Å; Y872-K875 PolarHBondContact O-N 2.97Å; Y872-R876 PolarHBondContact O-N 2.63Å |
| 873 | F | 92.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.2 | -32.2 | 179.4 | -77.8 | -72.3 | 0 | 0 | 0 | 112.4 | F428 I853 V857 V864 L869 E870 R876 F877 | F428-F873 HydrophobicContact CD1-CE1 4.3Å; F428-F873 HydrophobicContact CD1-CE2 4.3Å; F428-F873 AromaticContact CD1-CZ 3.52Å; F428-F873 HydrophobicContact CD1-CZ 3.52Å; F428-F873 AromaticContact CE1-CE2 3.98Å; F428-F873 HydrophobicContact CE1-CE2 3.98Å; F428-F873 AromaticContact CE1-CZ 3.65Å; F428-F873 HydrophobicContact CE1-CZ 3.65Å; F428-F873 HydrophobicContact CG-CZ 4.07Å; F428-F873 HydrophobicContact CZ-CE2 4.28Å; F428-F873 HydrophobicContact CZ-CZ 4.28Å; I853-F873 HydrophobicContact CG2-CD1 4.18Å; V857-F873 HydrophobicContact CG2-CB 3.68Å; V857-F873 HydrophobicContact CG2-CD1 3.33Å; V857-F873 HydrophobicContact CG2-CD2 3.94Å; V857-F873 HydrophobicContact CG2-CE1 3.87Å; V857-F873 HydrophobicContact CG2-CE2 4.42Å; V857-F873 HydrophobicContact CG2-CG 3.37Å; V857-F873 HydrophobicContact CG2-CZ 4.39Å; V864-F873 HydrophobicContact CG1-CD2 4.18Å; V864-F873 HydrophobicContact CG2-CD2 4.19Å; V864-F873 HydrophobicContact CG2-CE2 3.95Å; L869-F873 HydrophobicContact CB-CD2 3.96Å; L869-F873 HydrophobicContact CB-CE2 3.99Å; L869-F873 HydrophobicContact CD1-CE2 4.13Å; L869-F873 WeakPolarHBondContact O-CD2 3.17Å; L869-F873 PolarHBondContact O-N 3.29Å; L869-F873 VanDerWaalsContact O-N 3.17Å; E870-F873 PolarHBondContact O-N 3.07Å; F873-R876 PolarHBondContact O-N 3.45Å; F873-F877 WeakPolarHBondContact O-CB 3.41Å; F873-F877 PolarHBondContact O-N 2.92Å |
| 874 | F | 93.5 | Very high | 89.6 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -48.5 | 171.8 | -179.6 | -102 | 0 | 0 | 0 | 112.1 | L98 F101 R102 L105 E870 Y872 R876 F877 E878 | L98-F874 HydrophobicContact CB-CE2 4.34Å; L98-F874 HydrophobicContact CB-CZ 4.43Å; L98-F874 HydrophobicContact CD2-CE2 4.38Å; L98-F874 HydrophobicContact CD2-CZ 4.48Å; L98-F874 WeakPolarHBondContact O-CE2 3.31Å; F101-F874 HydrophobicContact CD1-CD2 4.12Å; R102-F874 HydrophobicContact CB-CD2 3.92Å; R102-F874 HydrophobicContact CB-CE2 3.65Å; R102-F874 HydrophobicContact CB-CZ 4.42Å; R102-F874 HydrophobicContact CG-CD2 4.34Å; R102-F874 HydrophobicContact CG-CE2 4.21Å; L105-F874 HydrophobicContact CD1-CB 3.88Å; E870-F874 VanDerWaalsContact O-CB 3.31Å; E870-F874 WeakPolarHBondContact O-CB 3.41Å; E870-F874 PolarHBondContact O-N 2.71Å; Y872-F874 VanDerWaalsContact C-N 3.3Å; Y872-F874 PolarHBondContact O-N 2.8Å; F874-R876 PolarHBondContact O-N 3.06Å; F874-F877 PolarHBondContact O-N 3.09Å; F874-E878 WeakPolarHBondContact O-CB 3.26Å; F874-E878 PolarHBondContact O-N 3.36Å |
| 875 | K | 93.2 | Very high | 89.1 | Confident | 147 Ų | 147 | 40.4 Ų | 40.4 | 64% | 0.639 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -62.9 | -41 | 176.7 | -75.2 | 176.9 | 179.6 | 177.5 | 0 | 112.4 | D871 Y872 E878 S879 | D871-K875 WeakPolarHBondContact O-CG 3.34Å; D871-K875 PolarHBondContact O-N 3.25Å; D871-K875 VanDerWaalsContact O-N 3.16Å; Y872-K875 PolarHBondContact O-N 2.97Å; K875-E878 PolarHBondContact O-N 3.31Å; K875-S879 PolarHBondContact O-N 3.39Å |
| 876 | R | 90.3 | Very high | 88.8 | Confident | 63 Ų | 63 | 47.1 Ų | 47.1 | 24% | 0.238 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -49.4 | 175.6 | -165.1 | -177.7 | 179.5 | 177.6 | 2.8 | 110.2 | I853 Y872 F873 F874 E878 S879 H880 | I853-R876 HydrophobicContact CD1-CG 3.93Å; Y872-R876 PolarHBondContact O-N 2.63Å; F873-R876 PolarHBondContact O-N 3.45Å; F874-R876 PolarHBondContact O-N 3.06Å; R876-E878 PolarHBondContact O-N 3.42Å; R876-S879 PolarHBondContact O-N 2.97Å; R876-S879 PolarHBondContact O-OG 3.35Å; R876-H880 PolarHBondContact O-CD2 3.48Å; R876-H880 PolarHBondContact O-N 3.41Å |
| 877 | F | 89.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 176.3 | -175.4 | -86.4 | 0 | 0 | 0 | 112.3 | H97 L98 F101 L124 S850 A854 F873 F874 S879 H880 A881 | H97-F877 HydrophobicContact CB-CE1 4.14Å; H97-F877 HydrophobicContact CB-CZ 4.29Å; L98-F877 HydrophobicContact CD2-CD1 3.86Å; L98-F877 HydrophobicContact CD2-CE1 4.1Å; F101-F877 HydrophobicContact CB-CD1 4.3Å; F101-F877 HydrophobicContact CB-CE1 4.09Å; F101-F877 HydrophobicContact CB-CZ 4.31Å; F101-F877 HydrophobicContact CD1-CB 3.75Å; F101-F877 AromaticContact CD1-CD1 3.78Å; F101-F877 HydrophobicContact CD1-CD1 3.78Å; F101-F877 HydrophobicContact CD1-CD2 4.04Å; F101-F877 HydrophobicContact CD1-CE1 4.38Å; F101-F877 AromaticContact CD1-CG 3.59Å; F101-F877 HydrophobicContact CD1-CG 3.59Å; F101-F877 HydrophobicContact CD2-CD2 4.43Å; F101-F877 HydrophobicContact CD2-CE2 4.46Å; F101-F877 HydrophobicContact CE1-CB 3.53Å; F101-F877 HydrophobicContact CE1-CD1 4.42Å; F101-F877 HydrophobicContact CE1-CD2 4.09Å; F101-F877 AromaticContact CE1-CG 3.78Å; F101-F877 HydrophobicContact CE1-CG 3.78Å; F101-F877 HydrophobicContact CE2-CD2 4.49Å; F101-F877 HydrophobicContact CG-CD1 4.17Å; F101-F877 HydrophobicContact CG-CD2 4.22Å; F101-F877 HydrophobicContact CG-CE1 4.32Å; F101-F877 HydrophobicContact CG-CE2 4.35Å; F101-F877 HydrophobicContact CG-CG 4.12Å; F101-F877 HydrophobicContact CG-CZ 4.41Å; F101-F877 HydrophobicContact CZ-CB 4.35Å; F101-F877 HydrophobicContact CZ-CD2 4.32Å; F101-F877 HydrophobicContact CZ-CG 4.45Å; L124-F877 HydrophobicContact CD1-CZ 4.46Å; L124-F877 HydrophobicContact CD2-CE2 4.23Å; L124-F877 HydrophobicContact CD2-CZ 4.44Å; S850-F877 WeakPolarHBondContact O-CD2 3.36Å; S850-F877 VanDerWaalsContact O-CE2 3.22Å; S850-F877 WeakPolarHBondContact O-CE2 3.1Å; A854-F877 HydrophobicContact CB-CE2 4.24Å; F873-F877 WeakPolarHBondContact O-CB 3.41Å; F873-F877 PolarHBondContact O-N 2.92Å; F874-F877 PolarHBondContact O-N 3.09Å; F877-S879 PolarHBondContact O-N 3.1Å; F877-H880 PolarHBondContact O-N 3.19Å; F877-A881 VanDerWaalsContact O-CB 3.32Å; F877-A881 WeakPolarHBondContact O-CB 3.41Å; F877-A881 PolarHBondContact O-N 3.4Å |
| 878 | E | 91.3 | Very high | 87.8 | Confident | 80 Ų | 80 | 52.3 Ų | 52.3 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 177.9 | -176.7 | 176.7 | -151.7 | 0 | 0 | 112.8 | L98 F874 K875 R876 H880 A881 V882 | L98-E878 HydrophobicContact CD1-CG 4.32Å; L98-E878 HydrophobicContact CD2-CB 3.85Å; L98-E878 HydrophobicContact CD2-CG 4.05Å; F874-E878 WeakPolarHBondContact O-CB 3.26Å; F874-E878 PolarHBondContact O-N 3.36Å; K875-E878 PolarHBondContact O-N 3.31Å; R876-E878 PolarHBondContact O-N 3.42Å; E878-H880 PolarHBondContact O-N 3.32Å; E878-A881 PolarHBondContact O-N 3.41Å; E878-V882 HydrophobicContact CG-CG2 4.38Å; E878-V882 WeakPolarHBondContact O-CG2 3.27Å; E878-V882 PolarHBondContact O-N 3.46Å |
| 879 | S | 89.6 | Confident | 87.5 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 179.9 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | K875 R876 F877 V882 E883 | K875-S879 PolarHBondContact O-N 3.39Å; R876-S879 PolarHBondContact O-N 2.97Å; R876-S879 PolarHBondContact O-OG 3.35Å; F877-S879 PolarHBondContact O-N 3.1Å; S879-V882 PolarHBondContact O-N 2.86Å; S879-E883 PolarHBondContact O-N 3.29Å; S879-E883 VanDerWaalsContact O-N 3.1Å |
| 880 | H | 86.1 | Confident | 87.1 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 22% | 0.222 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68 | -36.7 | 176.6 | -74.4 | -83.3 | 0 | 0 | 0 | 112 | E849 I853 R876 F877 E878 E883 N884 | E849-H880 IonicContact OE2-CE1 3.5Å; E849-H880 PolarHBondContact OE2-CE1 2.85Å; E849-H880 VanDerWaalsContact OE2-CE1 3.32Å; E849-H880 IonicContact OE2-ND1 2.87Å; E849-H880 PolarHBondContact OE2-ND1 2.93Å; I853-H880 VanDerWaalsContact CD1-CD2 3.48Å; I853-H880 WeakPolarHBondContact CD1-CD2 3.37Å; R876-H880 PolarHBondContact O-CD2 3.48Å; R876-H880 PolarHBondContact O-N 3.41Å; F877-H880 PolarHBondContact O-N 3.19Å; E878-H880 PolarHBondContact O-N 3.32Å; H880-E883 PolarHBondContact O-N 2.87Å; H880-N884 PolarHBondContact O-N 2.94Å |
| 881 | A | 82.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 2% | 0.017 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N94 L98 F877 E878 N884 V885 | N94-A881 VanDerWaalsContact OD1-CB 3.27Å; N94-A881 WeakPolarHBondContact OD1-CB 3.45Å; N94-A881 PolarHBondContact OD1-O 3.39Å; L98-A881 HydrophobicContact CD2-CB 4.23Å; F877-A881 VanDerWaalsContact O-CB 3.32Å; F877-A881 WeakPolarHBondContact O-CB 3.41Å; F877-A881 PolarHBondContact O-N 3.4Å; E878-A881 PolarHBondContact O-N 3.41Å; A881-N884 PolarHBondContact O-N 2.97Å; A881-V885 PolarHBondContact O-N 3.28Å |
| 882 | V | 85.7 | Confident | 86.2 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | E878 S879 N884 V885 K886 | E878-V882 HydrophobicContact CG-CG2 4.38Å; E878-V882 WeakPolarHBondContact O-CG2 3.27Å; E878-V882 PolarHBondContact O-N 3.46Å; S879-V882 PolarHBondContact O-N 2.86Å; V882-N884 VanDerWaalsContact C-N 3.34Å; V882-N884 PolarHBondContact O-N 3.46Å; V882-V885 PolarHBondContact O-N 2.95Å; V882-K886 PolarHBondContact O-N 3.18Å; V882-K886 VanDerWaalsContact O-N 3.14Å |
| 883 | E | 84.1 | Confident | 86 | Confident | 81 Ų | 81 | 62.6 Ų | 62.6 | 38% | 0.379 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 176.8 | -165.7 | -175.9 | 165.7 | 0 | 0 | 112 | S879 H880 V885 K886 K887 | S879-E883 PolarHBondContact O-N 3.29Å; S879-E883 VanDerWaalsContact O-N 3.1Å; H880-E883 PolarHBondContact O-N 2.87Å; E883-V885 VanDerWaalsContact C-N 3.34Å; E883-V885 PolarHBondContact O-N 2.96Å; E883-K886 PolarHBondContact O-N 2.84Å; E883-K887 HydrophobicContact CG-CD 4.41Å; E883-K887 PolarHBondContact O-N 3.33Å; E883-K887 WeakPolarHBondContact OE1-CE 3.21Å; E883-K887 IonicContact OE1-NZ 3.53Å; E883-K887 PolarHBondContact OE1-NZ 3.5Å |
| 884 | N | 80 | Confident | 85.7 | Confident | 31 Ų | 31 | 67.5 Ų | 67.5 | 17% | 0.166 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.1 | -171.5 | 18.3 | 0 | 0 | 0 | 111.8 | N846 H880 A881 V882 K886 K887 N888 | N846-N884 VanDerWaalsContact CB-OD1 3.23Å; N846-N884 WeakPolarHBondContact CB-OD1 3.37Å; H880-N884 PolarHBondContact O-N 2.94Å; A881-N884 PolarHBondContact O-N 2.97Å; V882-N884 VanDerWaalsContact C-N 3.34Å; V882-N884 PolarHBondContact O-N 3.46Å; N884-K886 PolarHBondContact O-N 3.43Å; N884-K887 PolarHBondContact O-N 2.93Å; N884-N888 WeakPolarHBondContact O-CB 3.15Å; N884-N888 VanDerWaalsContact O-CG 3.29Å; N884-N888 PolarHBondContact O-N 2.68Å; N884-N888 PolarHBondContact O-ND2 2.97Å; N884-N888 PolarHBondContact OD1-ND2 3.5Å |
| 885 | V | 82 | Confident | 85.1 | Confident | 24 Ų | 24 | 67.7 Ų | 67.7 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 173.6 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | I90 N94 A881 V882 E883 K887 N888 L889 | I90-V885 HydrophobicContact CG1-CG2 4.35Å; N94-V885 HydrophobicContact CB-CG2 3.79Å; A881-V885 PolarHBondContact O-N 3.28Å; V882-V885 PolarHBondContact O-N 2.95Å; E883-V885 VanDerWaalsContact C-N 3.34Å; E883-V885 PolarHBondContact O-N 2.96Å; V885-K887 PolarHBondContact O-N 2.77Å; V885-N888 PolarHBondContact O-N 3.29Å; V885-L889 WeakPolarHBondContact O-CG 3.5Å; V885-L889 PolarHBondContact O-N 3.03Å; V885-L889 VanDerWaalsContact O-N 3.11Å |
| 886 | K | 84.7 | Confident | 84.8 | Confident | 145 Ų | 145 | 60.7 Ų | 60.7 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 179.4 | -71 | 179 | -178.5 | 176.7 | 0 | 112.5 | V882 E883 N884 N888 | V882-K886 PolarHBondContact O-N 3.18Å; V882-K886 VanDerWaalsContact O-N 3.14Å; E883-K886 PolarHBondContact O-N 2.84Å; N884-K886 PolarHBondContact O-N 3.43Å; K886-N888 VanDerWaalsContact C-N 3.34Å; K886-N888 PolarHBondContact O-N 2.84Å |
| 887 | K | 79.8 | Confident | 84.8 | Confident | 101 Ų | 101 | 60.3 Ų | 60.3 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 178 | -74 | 175.6 | -179.2 | 164.3 | 0 | 111.7 | E883 N884 V885 | E883-K887 HydrophobicContact CG-CD 4.41Å; E883-K887 PolarHBondContact O-N 3.33Å; E883-K887 WeakPolarHBondContact OE1-CE 3.21Å; E883-K887 IonicContact OE1-NZ 3.53Å; E883-K887 PolarHBondContact OE1-NZ 3.5Å; N884-K887 PolarHBondContact O-N 2.93Å; V885-K887 PolarHBondContact O-N 2.77Å |
| 888 | N | 80.2 | Confident | 84.5 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -78.2 | -22.3 | -176.6 | -70.7 | -24.6 | 0 | 0 | 0 | 114.3 | I90 N846 N884 V885 K886 K890 T891 I892 | I90-N888 HydrophobicContact CD1-CB 3.36Å; N846-N888 PolarHBondContact ND2-OD1 3.45Å; N884-N888 WeakPolarHBondContact O-CB 3.15Å; N884-N888 VanDerWaalsContact O-CG 3.29Å; N884-N888 PolarHBondContact O-N 2.68Å; N884-N888 PolarHBondContact O-ND2 2.97Å; N884-N888 PolarHBondContact OD1-ND2 3.5Å; V885-N888 PolarHBondContact O-N 3.29Å; K886-N888 VanDerWaalsContact C-N 3.34Å; K886-N888 PolarHBondContact O-N 2.84Å; N888-K890 VanDerWaalsContact C-N 3.3Å; N888-K890 PolarHBondContact O-N 3.49Å; N888-T891 WeakPolarHBondContact O-CB 3.41Å; N888-T891 PolarHBondContact O-N 3.47Å; N888-T891 VanDerWaalsContact O-N 3.1Å; N888-I892 WeakPolarHBondContact O-CG1 3.26Å; N888-I892 PolarHBondContact O-N 2.76Å |
| 889 | L | 85 | Confident | 84.1 | Confident | 65 Ų | 65 | 59 Ų | 59 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.7 | -40.7 | 178.8 | -77.7 | 171.6 | 0 | 0 | 0 | 113.2 | L87 V885 T891 I892 F893 | L87-L889 HydrophobicContact CD1-CD2 3.55Å; V885-L889 WeakPolarHBondContact O-CG 3.5Å; V885-L889 PolarHBondContact O-N 3.03Å; V885-L889 VanDerWaalsContact O-N 3.11Å; L889-T891 VanDerWaalsContact C-N 3.34Å; L889-T891 PolarHBondContact O-N 3.05Å; L889-I892 PolarHBondContact O-N 2.94Å; L889-F893 PolarHBondContact O-N 3.17Å |
| 890 | K | 82 | Confident | 84.1 | Confident | 176 Ų | 176 | 56 Ų | 56 | 77% | 0.765 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 176.9 | -68.8 | -174.6 | 179.4 | -178.6 | 0 | 111.8 | N888 F893 F894 | N888-K890 VanDerWaalsContact C-N 3.3Å; N888-K890 PolarHBondContact O-N 3.49Å; K890-F893 PolarHBondContact O-N 3.05Å; K890-F894 PolarHBondContact O-N 3.22Å |
| 891 | T | 80.8 | Confident | 84.2 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 177.3 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | N888 L889 F894 N895 | N888-T891 WeakPolarHBondContact O-CB 3.41Å; N888-T891 PolarHBondContact O-N 3.47Å; N888-T891 VanDerWaalsContact O-N 3.1Å; L889-T891 VanDerWaalsContact C-N 3.34Å; L889-T891 PolarHBondContact O-N 3.05Å; T891-F894 PolarHBondContact O-N 2.88Å; T891-N895 WeakPolarHBondContact O-CB 3.3Å; T891-N895 PolarHBondContact O-N 3.06Å; T891-N895 PolarHBondContact O-ND2 3.47Å |
| 892 | I | 84.1 | Confident | 84.2 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 9% | 0.087 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 176.1 | -69.4 | 167.3 | 0 | 0 | 0 | 110.4 | F83 N86 I90 N888 L889 F894 N895 A896 | F83-I892 HydrophobicContact CD2-CG2 4.19Å; N86-I892 HydrophobicContact CB-CD1 4.38Å; N86-I892 HydrophobicContact CB-CG1 4.21Å; N86-I892 HydrophobicContact CB-CG2 3.63Å; I90-I892 HydrophobicContact CB-CD1 4.19Å; I90-I892 HydrophobicContact CD1-CD1 3.89Å; I90-I892 HydrophobicContact CG2-CD1 3.88Å; N888-I892 WeakPolarHBondContact O-CG1 3.26Å; N888-I892 PolarHBondContact O-N 2.76Å; L889-I892 PolarHBondContact O-N 2.94Å; I892-F894 PolarHBondContact O-N 3.5Å; I892-N895 PolarHBondContact O-N 2.82Å; I892-A896 WeakPolarHBondContact O-CB 3.47Å; I892-A896 PolarHBondContact O-N 3.06Å |
| 893 | F | 89.1 | Confident | 84.1 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 178.8 | -177.4 | -97.8 | 0 | 0 | 0 | 112.3 | F79 F83 L889 K890 A896 I897 | F79-F893 HydrophobicContact CE2-CD2 4.45Å; F79-F893 HydrophobicContact CE2-CE2 4.22Å; F79-F893 HydrophobicContact CZ-CD2 4.21Å; F79-F893 AromaticContact CZ-CE2 3.83Å; F79-F893 HydrophobicContact CZ-CE2 3.83Å; F83-F893 HydrophobicContact CD2-CD2 4.36Å; F83-F893 HydrophobicContact CE2-CB 4.41Å; F83-F893 HydrophobicContact CE2-CD2 4.05Å; L889-F893 PolarHBondContact O-N 3.17Å; K890-F893 PolarHBondContact O-N 3.05Å; F893-A896 PolarHBondContact O-N 2.93Å; F893-I897 HydrophobicContact CD1-CD1 3.91Å; F893-I897 HydrophobicContact CE1-CD1 3.37Å; F893-I897 HydrophobicContact CE1-CG1 4.41Å; F893-I897 HydrophobicContact CZ-CD1 3.78Å; F893-I897 WeakPolarHBondContact O-CG1 3.22Å; F893-I897 PolarHBondContact O-N 3.03Å; F893-I897 VanDerWaalsContact O-N 3.17Å |
| 894 | F | 84.7 | Confident | 84.4 | Confident | 103 Ų | 103 | 52.8 Ų | 52.8 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 177.9 | -177.2 | -95.7 | 0 | 0 | 0 | 112.4 | F833 K890 T891 I892 A896 I897 M898 | F833-F894 HydrophobicContact CE1-CE1 4.09Å; F833-F894 HydrophobicContact CZ-CE1 4.23Å; K890-F894 PolarHBondContact O-N 3.22Å; T891-F894 PolarHBondContact O-N 2.88Å; I892-F894 PolarHBondContact O-N 3.5Å; F894-A896 VanDerWaalsContact C-N 3.35Å; F894-A896 PolarHBondContact O-N 2.75Å; F894-I897 PolarHBondContact O-N 3.1Å; F894-M898 HydrophobicContact CD1-CG 4.18Å; F894-M898 HydrophobicContact CE1-CG 3.73Å; F894-M898 HydrophobicContact CE1-SD 4.48Å; F894-M898 HydrophobicContact CE2-CE 3.84Å; F894-M898 HydrophobicContact CZ-CE 3.84Å; F894-M898 HydrophobicContact CZ-CG 3.98Å; F894-M898 HydrophobicContact CZ-SD 4.18Å; F894-M898 WeakPolarHBondContact O-CG 3.46Å; F894-M898 PolarHBondContact O-N 3.48Å; F894-M898 VanDerWaalsContact O-N 3.08Å |
| 895 | N | 81.2 | Confident | 84.8 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 177.6 | -72.7 | -12.5 | 0 | 0 | 0 | 111.8 | T891 I892 I897 M898 Y899 | T891-N895 WeakPolarHBondContact O-CB 3.3Å; T891-N895 PolarHBondContact O-N 3.06Å; T891-N895 PolarHBondContact O-ND2 3.47Å; I892-N895 PolarHBondContact O-N 2.82Å; N895-I897 VanDerWaalsContact C-N 3.34Å; N895-I897 PolarHBondContact O-N 3.11Å; N895-M898 PolarHBondContact O-N 2.86Å; N895-Y899 WeakPolarHBondContact O-CB 3.46Å; N895-Y899 PolarHBondContact O-N 3.37Å |
| 896 | A | 87.5 | Confident | 85 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.9 | -39 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F79 D82 F83 I892 F893 F894 A900 | F79-A896 HydrophobicContact CD2-CB 4.01Å; F79-A896 HydrophobicContact CE2-CB 4.02Å; D82-A896 HydrophobicContact CB-CB 4.27Å; D82-A896 WeakPolarHBondContact OD2-CA 3.49Å; D82-A896 PolarHBondContact OD2-N 2.95Å; F83-A896 HydrophobicContact CB-CB 3.89Å; F83-A896 HydrophobicContact CD2-CB 4.48Å; I892-A896 WeakPolarHBondContact O-CB 3.47Å; I892-A896 PolarHBondContact O-N 3.06Å; F893-A896 PolarHBondContact O-N 2.93Å; F894-A896 VanDerWaalsContact C-N 3.35Å; F894-A896 PolarHBondContact O-N 2.75Å; A896-A900 VanDerWaalsContact O-CB 3.3Å; A896-A900 WeakPolarHBondContact O-CB 3.26Å; A896-A900 PolarHBondContact O-N 3.32Å |
| 897 | I | 89.3 | Confident | 85.2 | Confident | 55 Ų | 55 | 45.7 Ų | 45.7 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.8 | -48.5 | 172.9 | -67.5 | 174.2 | 0 | 0 | 0 | 110.6 | F79 F893 F894 N895 Y899 A900 I901 | F79-I897 HydrophobicContact CD2-CG1 4.13Å; F79-I897 HydrophobicContact CE2-CG1 3.79Å; F893-I897 HydrophobicContact CD1-CD1 3.91Å; F893-I897 HydrophobicContact CE1-CD1 3.37Å; F893-I897 HydrophobicContact CE1-CG1 4.41Å; F893-I897 HydrophobicContact CZ-CD1 3.78Å; F893-I897 WeakPolarHBondContact O-CG1 3.22Å; F893-I897 PolarHBondContact O-N 3.03Å; F893-I897 VanDerWaalsContact O-N 3.17Å; F894-I897 PolarHBondContact O-N 3.1Å; N895-I897 VanDerWaalsContact C-N 3.34Å; N895-I897 PolarHBondContact O-N 3.11Å; I897-Y899 VanDerWaalsContact C-N 3.3Å; I897-Y899 PolarHBondContact O-N 3.35Å; I897-A900 PolarHBondContact O-N 3.11Å; I897-I901 HydrophobicContact CG2-CD1 3.76Å; I897-I901 HydrophobicContact CG2-CG1 4.42Å; I897-I901 VanDerWaalsContact O-CG1 3.31Å; I897-I901 WeakPolarHBondContact O-CG1 3.45Å; I897-I901 PolarHBondContact O-N 3.19Å |
| 898 | M | 83.9 | Confident | 85.8 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 20% | 0.202 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | -179.2 | -68.1 | -59.4 | 121.5 | 0 | 0 | 111.8 | F833 F894 N895 I901 A902 | F833-M898 HydrophobicContact CB-CB 4.16Å; F833-M898 HydrophobicContact CD1-CB 4.26Å; F833-M898 HydrophobicContact CD1-CG 4.26Å; F833-M898 HydrophobicContact CD2-CB 4.27Å; F833-M898 HydrophobicContact CD2-CG 4.25Å; F833-M898 HydrophobicContact CD2-SD 4.37Å; F833-M898 HydrophobicContact CE1-CG 4.3Å; F833-M898 HydrophobicContact CE2-CG 4.29Å; F833-M898 HydrophobicContact CE2-SD 4.17Å; F833-M898 HydrophobicContact CG-CB 3.99Å; F833-M898 HydrophobicContact CG-CG 4.25Å; F833-M898 HydrophobicContact CZ-CG 4.32Å; F894-M898 HydrophobicContact CD1-CG 4.18Å; F894-M898 HydrophobicContact CE1-CG 3.73Å; F894-M898 HydrophobicContact CE1-SD 4.48Å; F894-M898 HydrophobicContact CE2-CE 3.84Å; F894-M898 HydrophobicContact CZ-CE 3.84Å; F894-M898 HydrophobicContact CZ-CG 3.98Å; F894-M898 HydrophobicContact CZ-SD 4.18Å; F894-M898 WeakPolarHBondContact O-CG 3.46Å; F894-M898 PolarHBondContact O-N 3.48Å; F894-M898 VanDerWaalsContact O-N 3.08Å; N895-M898 PolarHBondContact O-N 2.86Å; M898-I901 HydrophobicContact CE-CD1 4.22Å; M898-I901 PolarHBondContact O-N 3Å; M898-A902 WeakPolarHBondContact O-CB 3.4Å; M898-A902 PolarHBondContact O-N 2.78Å |
| 899 | Y | 84.3 | Confident | 86.3 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 175.2 | 179.5 | -100.2 | 0 | 0 | 0 | 112 | A78 D82 K144 Q834 N895 I897 I901 A902 E903 | A78-Y899 HydrophobicContact CB-CD1 4.08Å; A78-Y899 HydrophobicContact CB-CE1 3.92Å; D82-Y899 HydrophobicContact CB-CD1 3.55Å; D82-Y899 HydrophobicContact CB-CE1 4.05Å; D82-Y899 HydrophobicContact CB-CG 4.16Å; K144-Y899 PolarHBondContact NZ-OH 3.14Å; Q834-Y899 HydrophobicContact CG-CE2 4.49Å; N895-Y899 WeakPolarHBondContact O-CB 3.46Å; N895-Y899 PolarHBondContact O-N 3.37Å; I897-Y899 VanDerWaalsContact C-N 3.3Å; I897-Y899 PolarHBondContact O-N 3.35Å; Y899-I901 PolarHBondContact O-N 3.11Å; Y899-A902 WeakPolarHBondContact O-CB 3.32Å; Y899-A902 PolarHBondContact O-N 3.39Å; Y899-E903 HydrophobicContact CE1-CG 4.27Å; Y899-E903 HydrophobicContact CE2-CG 4.28Å; Y899-E903 PolarHBondContact O-N 3.39Å; Y899-E903 VanDerWaalsContact O-N 3.11Å |
| 900 | A | 89.7 | Confident | 86.5 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L75 A78 F79 A896 I897 S904 | L75-A900 HydrophobicContact CD1-CB 3.89Å; L75-A900 WeakPolarHBondContact O-CB 3.43Å; A78-A900 HydrophobicContact CB-CB 4.31Å; F79-A900 HydrophobicContact CB-CB 3.68Å; A896-A900 VanDerWaalsContact O-CB 3.3Å; A896-A900 WeakPolarHBondContact O-CB 3.26Å; A896-A900 PolarHBondContact O-N 3.32Å; I897-A900 PolarHBondContact O-N 3.11Å; A900-S904 WeakPolarHBondContact O-CB 3.07Å; A900-S904 PolarHBondContact O-N 3.19Å; A900-S904 VanDerWaalsContact O-N 3.11Å; A900-S904 PolarHBondContact O-OG 3.14Å |
| 901 | I | 88 | Confident | 87 | Confident | 57 Ų | 57 | 31.8 Ų | 31.8 | 29% | 0.292 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 174.5 | -67.2 | 168.8 | 0 | 0 | 0 | 109.7 | L75 I897 M898 Y899 E903 S904 V905 | L75-I901 HydrophobicContact CD1-CG1 4.46Å; I897-I901 HydrophobicContact CG2-CD1 3.76Å; I897-I901 HydrophobicContact CG2-CG1 4.42Å; I897-I901 VanDerWaalsContact O-CG1 3.31Å; I897-I901 WeakPolarHBondContact O-CG1 3.45Å; I897-I901 PolarHBondContact O-N 3.19Å; M898-I901 HydrophobicContact CE-CD1 4.22Å; M898-I901 PolarHBondContact O-N 3Å; Y899-I901 PolarHBondContact O-N 3.11Å; I901-E903 VanDerWaalsContact C-N 3.34Å; I901-E903 PolarHBondContact O-N 3.16Å; I901-S904 PolarHBondContact O-N 3.3Å; I901-S904 PolarHBondContact O-OG 2.76Å; I901-V905 HydrophobicContact CG2-CG2 3.68Å; I901-V905 WeakPolarHBondContact O-CB 3.35Å; I901-V905 WeakPolarHBondContact O-CG2 3.15Å; I901-V905 PolarHBondContact O-N 2.82Å |
| 902 | A | 82.9 | Confident | 87.5 | Confident | 19 Ų | 19 | 30 Ų | 30 | 16% | 0.157 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.1 | -44 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M898 Y899 | M898-A902 WeakPolarHBondContact O-CB 3.4Å; M898-A902 PolarHBondContact O-N 2.78Å; Y899-A902 WeakPolarHBondContact O-CB 3.32Å; Y899-A902 PolarHBondContact O-N 3.39Å |
| 903 | E | 83.8 | Confident | 87.8 | Confident | 44 Ų | 44 | 29.2 Ų | 29.2 | 21% | 0.206 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -78 | -29.5 | -178.2 | -73.5 | -75.9 | 176 | 0 | 0 | 113 | A78 K144 Y899 I901 F907 | A78-E903 HydrophobicContact CB-CB 4Å; A78-E903 HydrophobicContact CB-CG 4.34Å; K144-E903 IonicContact NZ-OE1 2.64Å; K144-E903 PolarHBondContact NZ-OE1 3.04Å; Y899-E903 HydrophobicContact CE1-CG 4.27Å; Y899-E903 HydrophobicContact CE2-CG 4.28Å; Y899-E903 PolarHBondContact O-N 3.39Å; Y899-E903 VanDerWaalsContact O-N 3.11Å; I901-E903 VanDerWaalsContact C-N 3.34Å; I901-E903 PolarHBondContact O-N 3.16Å; E903-F907 WeakPolarHBondContact O-CE2 3.21Å |
| 904 | S | 89.7 | Confident | 87.9 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -88.8 | -32.7 | -175 | 59.4 | 0 | 0 | 0 | 0 | 114.9 | G71 L75 A900 I901 L906 F907 F908 | G71-S904 WeakPolarHBondContact O-CB 3.21Å; L75-S904 VanDerWaalsContact CD1-OG 3.26Å; L75-S904 WeakPolarHBondContact CD1-OG 3.4Å; A900-S904 WeakPolarHBondContact O-CB 3.07Å; A900-S904 PolarHBondContact O-N 3.19Å; A900-S904 VanDerWaalsContact O-N 3.11Å; A900-S904 PolarHBondContact O-OG 3.14Å; I901-S904 PolarHBondContact O-N 3.3Å; I901-S904 PolarHBondContact O-OG 2.76Å; S904-L906 PolarHBondContact O-N 3.2Å; S904-L906 VanDerWaalsContact O-N 3.08Å; S904-F907 PolarHBondContact O-N 3.44Å; S904-F908 WeakPolarHBondContact O-CD2 3.33Å; S904-F908 PolarHBondContact O-N 3.05Å |
| 905 | V | 88.8 | Confident | 88.2 | Confident | 9 Ų | 9 | 21.2 Ų | 21.2 | 6% | 0.055 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55 | -32.7 | -175.3 | 163.6 | 0 | 0 | 0 | 0 | 112.4 | F823 L826 I827 I901 F907 F908 A909 | F823-V905 HydrophobicContact CB-CG1 4.3Å; F823-V905 HydrophobicContact CD1-CG1 4.2Å; L826-V905 HydrophobicContact CB-CG1 3.9Å; L826-V905 HydrophobicContact CB-CG2 4.08Å; L826-V905 HydrophobicContact CD1-CG2 4.32Å; I827-V905 HydrophobicContact CD1-CG1 4.44Å; I827-V905 HydrophobicContact CG1-CG1 3.64Å; I901-V905 HydrophobicContact CG2-CG2 3.68Å; I901-V905 WeakPolarHBondContact O-CB 3.35Å; I901-V905 WeakPolarHBondContact O-CG2 3.15Å; I901-V905 PolarHBondContact O-N 2.82Å; V905-F907 PolarHBondContact O-N 3.19Å; V905-F908 PolarHBondContact O-N 2.9Å; V905-A909 WeakPolarHBondContact O-CB 3.35Å; V905-A909 PolarHBondContact O-N 3.03Å |
| 906 | L | 85.2 | Confident | 88.7 | Confident | 36 Ų | 36 | 22.4 Ų | 22.4 | 19% | 0.188 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.4 | -48.2 | 178 | 176.3 | 55.3 | 0 | 0 | 0 | 112.3 | S904 F908 A909 V910 H939 | S904-L906 PolarHBondContact O-N 3.2Å; S904-L906 VanDerWaalsContact O-N 3.08Å; L906-F908 VanDerWaalsContact C-N 3.32Å; L906-F908 PolarHBondContact O-N 3.19Å; L906-A909 PolarHBondContact O-N 2.9Å; L906-V910 HydrophobicContact CD1-CG2 4.26Å; L906-V910 VanDerWaalsContact O-CG2 3.23Å; L906-V910 WeakPolarHBondContact O-CG2 3.01Å; L906-V910 PolarHBondContact O-N 2.74Å; L906-H939 WeakPolarHBondContact CD1-CE1 3.23Å; L906-H939 WeakPolarHBondContact CD1-ND1 3.49Å |
| 907 | F | 90.1 | Very high | 88.9 | Confident | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.7 | -35.2 | -177.2 | -57.8 | -68.8 | 0 | 0 | 0 | 111.8 | L35 I36 H39 V70 G71 A74 E903 S904 V905 V910 A911 | L35-F907 HydrophobicContact CB-CZ 4.49Å; I36-F907 HydrophobicContact CG1-CZ 4.35Å; H39-F907 HydrophobicContact CB-CD1 4.32Å; H39-F907 HydrophobicContact CB-CE1 3.76Å; H39-F907 AromaticContact CD2-CD1 3.87Å; H39-F907 AromaticContact CG-CE1 3.87Å; V70-F907 HydrophobicContact CG1-CD1 3.68Å; V70-F907 HydrophobicContact CG1-CD2 4.4Å; V70-F907 HydrophobicContact CG1-CE1 3.78Å; V70-F907 HydrophobicContact CG1-CE2 4.49Å; V70-F907 HydrophobicContact CG1-CG 4.01Å; V70-F907 HydrophobicContact CG1-CZ 4.19Å; G71-F907 VanDerWaalsContact CA-CB 3.43Å; A74-F907 HydrophobicContact CB-CD2 3.68Å; A74-F907 HydrophobicContact CB-CE2 3.5Å; E903-F907 WeakPolarHBondContact O-CE2 3.21Å; S904-F907 PolarHBondContact O-N 3.44Å; V905-F907 PolarHBondContact O-N 3.19Å; F907-V910 PolarHBondContact O-N 2.66Å; F907-A911 PolarHBondContact O-N 3.48Å |
| 908 | F | 91.7 | Very high | 89 | Confident | 59 Ų | 59 | 19.8 Ų | 19.8 | 26% | 0.259 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -67.1 | -40.2 | 173.6 | -63.2 | -56.3 | 0 | 0 | 0 | 112.2 | G71 V72 F823 S904 V905 L906 V910 A911 A912 | G71-F908 VanDerWaalsContact C-CZ 3.49Å; V72-F908 HydrophobicContact CG2-CE1 4.01Å; V72-F908 HydrophobicContact CG2-CZ 3.94Å; F823-F908 HydrophobicContact CE1-CB 4.18Å; S904-F908 WeakPolarHBondContact O-CD2 3.33Å; S904-F908 PolarHBondContact O-N 3.05Å; V905-F908 PolarHBondContact O-N 2.9Å; L906-F908 VanDerWaalsContact C-N 3.32Å; L906-F908 PolarHBondContact O-N 3.19Å; F908-V910 VanDerWaalsContact C-N 3.33Å; F908-V910 PolarHBondContact O-N 3.13Å; F908-A911 PolarHBondContact O-N 3.22Å; F908-A912 WeakPolarHBondContact O-CB 3.34Å; F908-A912 PolarHBondContact O-N 3.39Å |
| 909 | A | 90 | Very high | 89.3 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F823 V905 L906 A913 | F823-A909 HydrophobicContact CB-CB 3.91Å; F823-A909 HydrophobicContact CD1-CB 4.31Å; F823-A909 HydrophobicContact CD2-CB 4.04Å; F823-A909 HydrophobicContact CG-CB 3.82Å; V905-A909 WeakPolarHBondContact O-CB 3.35Å; V905-A909 PolarHBondContact O-N 3.03Å; L906-A909 PolarHBondContact O-N 2.9Å; A909-A913 WeakPolarHBondContact O-CB 3.13Å; A909-A913 PolarHBondContact O-N 3.48Å |
| 910 | V | 89.6 | Confident | 89.7 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -49.8 | 174.5 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | F67 L906 F907 F908 A912 A913 Y914 F935 | F67-V910 HydrophobicContact CD1-CG1 4.05Å; F67-V910 HydrophobicContact CD2-CG1 3.78Å; F67-V910 HydrophobicContact CE1-CG1 4.06Å; F67-V910 HydrophobicContact CE2-CG1 3.76Å; F67-V910 HydrophobicContact CG-CG1 3.91Å; F67-V910 HydrophobicContact CZ-CG1 3.9Å; L906-V910 HydrophobicContact CD1-CG2 4.26Å; L906-V910 VanDerWaalsContact O-CG2 3.23Å; L906-V910 WeakPolarHBondContact O-CG2 3.01Å; L906-V910 PolarHBondContact O-N 2.74Å; F907-V910 PolarHBondContact O-N 2.66Å; F908-V910 VanDerWaalsContact C-N 3.33Å; F908-V910 PolarHBondContact O-N 3.13Å; V910-A912 VanDerWaalsContact C-N 3.34Å; V910-A912 PolarHBondContact O-N 3.1Å; V910-A913 PolarHBondContact O-N 2.91Å; V910-Y914 HydrophobicContact CG1-CD2 3.52Å; V910-Y914 HydrophobicContact CG1-CE2 3.36Å; V910-Y914 PolarHBondContact O-N 3.2Å; V910-F935 HydrophobicContact CB-CE2 4.35Å; V910-F935 HydrophobicContact CB-CZ 4.36Å; V910-F935 HydrophobicContact CG2-CE1 4.33Å; V910-F935 HydrophobicContact CG2-CE2 3.66Å; V910-F935 HydrophobicContact CG2-CZ 3.34Å |
| 911 | A | 91.8 | Very high | 89.7 | Confident | 10 Ų | 10 | 22.7 Ų | 22.7 | 8% | 0.083 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S64 F67 A68 F907 F908 S915 | S64-A911 WeakPolarHBondContact O-CB 3.32Å; F67-A911 HydrophobicContact CB-CB 3.8Å; A68-A911 HydrophobicContact CB-CB 4.39Å; F907-A911 PolarHBondContact O-N 3.48Å; F908-A911 PolarHBondContact O-N 3.22Å; A911-S915 VanDerWaalsContact O-CB 3.31Å; A911-S915 WeakPolarHBondContact O-CB 3.12Å; A911-S915 PolarHBondContact O-N 3.45Å; A911-S915 VanDerWaalsContact O-N 3.14Å; A911-S915 PolarHBondContact O-OG 3.23Å |
| 912 | A | 92.5 | Very high | 89.7 | Confident | 21 Ų | 21 | 22.4 Ų | 22.4 | 17% | 0.174 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L819 F823 F908 V910 S915 L916 | L819-A912 HydrophobicContact CD2-CB 3.85Å; L819-A912 VanDerWaalsContact CD2-O 3.3Å; L819-A912 WeakPolarHBondContact CD2-O 3.24Å; L819-A912 HydrophobicContact CG-CB 4.42Å; F823-A912 HydrophobicContact CE2-CB 3.82Å; F823-A912 HydrophobicContact CZ-CB 4.12Å; F908-A912 WeakPolarHBondContact O-CB 3.34Å; F908-A912 PolarHBondContact O-N 3.39Å; V910-A912 VanDerWaalsContact C-N 3.34Å; V910-A912 PolarHBondContact O-N 3.1Å; A912-S915 PolarHBondContact O-OG 3.37Å; A912-L916 WeakPolarHBondContact O-CB 3.45Å; A912-L916 PolarHBondContact O-N 3.21Å; A912-L916 VanDerWaalsContact O-N 3.12Å |
| 913 | A | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L816 I820 A909 V910 G917 F935 | L816-A913 HydrophobicContact CD1-CB 4.34Å; L816-A913 WeakPolarHBondContact CD1-O 3.2Å; I820-A913 HydrophobicContact CD1-CB 4.02Å; I820-A913 HydrophobicContact CG1-CB 4.13Å; A909-A913 WeakPolarHBondContact O-CB 3.13Å; A909-A913 PolarHBondContact O-N 3.48Å; V910-A913 PolarHBondContact O-N 2.91Å; A913-G917 WeakPolarHBondContact O-CA 3.3Å; A913-G917 PolarHBondContact O-N 3.28Å; A913-F935 HydrophobicContact CB-CD2 3.88Å |
| 914 | Y | 90.7 | Very high | 90 | Very high | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.02 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -75.9 | -33.5 | -179.3 | -66.4 | -39.8 | 0 | 0 | 0 | 113.7 | L43 V46 F50 F67 V910 G917 A918 V931 F932 | L43-Y914 HydrophobicContact CD1-CE2 3.97Å; L43-Y914 VanDerWaalsContact CD1-OH 3.28Å; L43-Y914 WeakPolarHBondContact CD1-OH 3.25Å; V46-Y914 HydrophobicContact CG1-CD2 4.22Å; V46-Y914 HydrophobicContact CG1-CE2 4.38Å; V46-Y914 HydrophobicContact CG1-CG 4.35Å; F50-Y914 HydrophobicContact CE2-CD1 4.24Å; F67-Y914 HydrophobicContact CD2-CD2 4.22Å; F67-Y914 AromaticContact CE2-CD2 3.63Å; F67-Y914 HydrophobicContact CE2-CD2 3.63Å; F67-Y914 AromaticContact CE2-CE2 3.93Å; F67-Y914 HydrophobicContact CE2-CE2 3.93Å; F67-Y914 HydrophobicContact CZ-CD2 4.39Å; F67-Y914 HydrophobicContact CZ-CE2 4.24Å; V910-Y914 HydrophobicContact CG1-CD2 3.52Å; V910-Y914 HydrophobicContact CG1-CE2 3.36Å; V910-Y914 PolarHBondContact O-N 3.2Å; Y914-G917 PolarHBondContact O-N 2.81Å; Y914-A918 VanDerWaalsContact O-CB 3.28Å; Y914-A918 WeakPolarHBondContact O-CB 3.39Å; Y914-A918 PolarHBondContact O-N 2.96Å; Y914-V931 HydrophobicContact CD1-CG1 4.03Å; Y914-V931 HydrophobicContact CE1-CG1 4.4Å; Y914-F932 HydrophobicContact CE1-CD1 4.12Å; Y914-F932 AromaticContact CE1-CE1 3.95Å; Y914-F932 HydrophobicContact CE1-CE1 3.95Å |
| 915 | S | 91.2 | Very high | 89.8 | Confident | 35 Ų | 35 | 35.7 Ų | 35.7 | 25% | 0.245 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66 | -46.2 | 174.9 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | A911 A912 H919 | A911-S915 VanDerWaalsContact O-CB 3.31Å; A911-S915 WeakPolarHBondContact O-CB 3.12Å; A911-S915 PolarHBondContact O-N 3.45Å; A911-S915 VanDerWaalsContact O-N 3.14Å; A911-S915 PolarHBondContact O-OG 3.23Å; A912-S915 PolarHBondContact O-OG 3.37Å; S915-H919 PolarHBondContact O-N 2.9Å |
| 916 | L | 91.9 | Very high | 89.8 | Confident | 54 Ų | 54 | 36.2 Ų | 36.2 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 173.5 | -176 | 65.1 | 0 | 0 | 0 | 110.8 | L816 L819 A912 A918 H919 L920 | L816-L916 HydrophobicContact CD1-CB 4.46Å; L816-L916 HydrophobicContact CD1-CD2 4.29Å; L819-L916 HydrophobicContact CB-CD2 4.08Å; L819-L916 HydrophobicContact CD2-CB 3.92Å; L819-L916 HydrophobicContact CD2-CD2 3.72Å; L819-L916 HydrophobicContact CD2-CG 4.47Å; L819-L916 HydrophobicContact CG-CD2 4.41Å; A912-L916 WeakPolarHBondContact O-CB 3.45Å; A912-L916 PolarHBondContact O-N 3.21Å; A912-L916 VanDerWaalsContact O-N 3.12Å; L916-A918 VanDerWaalsContact C-N 3.34Å; L916-A918 PolarHBondContact O-N 3.33Å; L916-H919 WeakPolarHBondContact O-CB 2.98Å; L916-H919 PolarHBondContact O-N 2.69Å; L916-H919 VanDerWaalsContact O-N 3.15Å; L916-L920 HydrophobicContact CD1-CD1 4.21Å; L916-L920 HydrophobicContact CD1-CG 4.26Å; L916-L920 HydrophobicContact CD2-CD1 4.22Å; L916-L920 HydrophobicContact CG-CD1 3.8Å; L916-L920 HydrophobicContact CG-CG 4.25Å; L916-L920 WeakPolarHBondContact O-CG 3.3Å; L916-L920 PolarHBondContact O-N 3.23Å |
| 917 | G | 91.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.9 | -45.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A913 Y914 H919 L920 V921 | A913-G917 WeakPolarHBondContact O-CA 3.3Å; A913-G917 PolarHBondContact O-N 3.28Å; Y914-G917 PolarHBondContact O-N 2.81Å; G917-H919 VanDerWaalsContact C-N 3.33Å; G917-H919 PolarHBondContact O-N 3.12Å; G917-L920 PolarHBondContact O-N 2.92Å; G917-V921 WeakPolarHBondContact O-CB 3.22Å; G917-V921 VanDerWaalsContact O-CG2 3.23Å; G917-V921 WeakPolarHBondContact O-CG2 3.3Å; G917-V921 PolarHBondContact O-N 3.27Å |
| 918 | A | 90.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F50 F55 I60 Y914 L916 S922 | F50-A918 HydrophobicContact CZ-CB 4.37Å; F55-A918 HydrophobicContact CZ-CB 3.99Å; I60-A918 HydrophobicContact CB-CB 3.86Å; I60-A918 HydrophobicContact CD1-CB 3.8Å; I60-A918 HydrophobicContact CG1-CB 4.44Å; I60-A918 HydrophobicContact CG2-CB 3.7Å; Y914-A918 VanDerWaalsContact O-CB 3.28Å; Y914-A918 WeakPolarHBondContact O-CB 3.39Å; Y914-A918 PolarHBondContact O-N 2.96Å; L916-A918 VanDerWaalsContact C-N 3.34Å; L916-A918 PolarHBondContact O-N 3.33Å; A918-S922 WeakPolarHBondContact O-CB 3.34Å; A918-S922 PolarHBondContact O-N 3.32Å |
| 919 | H | 91.4 | Very high | 89.5 | Confident | 83 Ų | 83 | 38.8 Ų | 38.8 | 38% | 0.384 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.5 | -48.1 | 174.3 | -170.7 | 77.2 | 0 | 0 | 0 | 111.4 | S915 L916 G917 V921 S922 T923 | S915-H919 PolarHBondContact O-N 2.9Å; L916-H919 WeakPolarHBondContact O-CB 2.98Å; L916-H919 PolarHBondContact O-N 2.69Å; L916-H919 VanDerWaalsContact O-N 3.15Å; G917-H919 VanDerWaalsContact C-N 3.33Å; G917-H919 PolarHBondContact O-N 3.12Å; H919-V921 PolarHBondContact O-N 3.19Å; H919-S922 WeakPolarHBondContact O-CB 3.37Å; H919-S922 PolarHBondContact O-N 3.02Å; H919-T923 PolarHBondContact O-N 3.17Å; H919-T923 PolarHBondContact O-OG1 3.46Å |
| 920 | L | 91.7 | Very high | 89.5 | Confident | 14 Ų | 14 | 38.8 Ų | 38.8 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.1 | -34.1 | -178.5 | -65.4 | 175.2 | 0 | 0 | 0 | 112.9 | Q815 L916 G917 T923 K924 T925 I926 | Q815-L920 HydrophobicContact CB-CD1 4.11Å; Q815-L920 VanDerWaalsContact OE1-CD2 3.31Å; L916-L920 HydrophobicContact CD1-CD1 4.21Å; L916-L920 HydrophobicContact CD1-CG 4.26Å; L916-L920 HydrophobicContact CD2-CD1 4.22Å; L916-L920 HydrophobicContact CG-CD1 3.8Å; L916-L920 HydrophobicContact CG-CG 4.25Å; L916-L920 WeakPolarHBondContact O-CG 3.3Å; L916-L920 PolarHBondContact O-N 3.23Å; G917-L920 PolarHBondContact O-N 2.92Å; L920-T923 WeakPolarHBondContact CA-OG1 3.4Å; L920-T923 PolarHBondContact O-N 3.01Å; L920-T923 PolarHBondContact O-OG1 2.98Å; L920-K924 PolarHBondContact O-N 3.35Å; L920-T925 WeakPolarHBondContact CB-OG1 3.4Å; L920-T925 PolarHBondContact O-N 3.22Å; L920-T925 PolarHBondContact O-OG1 2.84Å; L920-I926 HydrophobicContact CB-CB 4.34Å; L920-I926 HydrophobicContact CB-CD1 3.79Å; L920-I926 HydrophobicContact CB-CG1 4.22Å; L920-I926 HydrophobicContact CD1-CD1 3.45Å; L920-I926 VanDerWaalsContact CD1-CD1 3.45Å; L920-I926 HydrophobicContact CG-CD1 4.15Å |
| 921 | V | 89.3 | Confident | 89.5 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -43 | 171.2 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | F50 F55 G917 H919 T923 K924 V928 V931 | F50-V921 HydrophobicContact CE1-CG2 4.31Å; F55-V921 HydrophobicContact CD1-CG1 4.09Å; F55-V921 HydrophobicContact CE1-CB 4.23Å; F55-V921 HydrophobicContact CE1-CG1 3.83Å; F55-V921 HydrophobicContact CE2-CG1 4.27Å; F55-V921 HydrophobicContact CG-CG1 4.44Å; F55-V921 HydrophobicContact CZ-CB 4.18Å; F55-V921 HydrophobicContact CZ-CG1 3.92Å; G917-V921 WeakPolarHBondContact O-CB 3.22Å; G917-V921 VanDerWaalsContact O-CG2 3.23Å; G917-V921 WeakPolarHBondContact O-CG2 3.3Å; G917-V921 PolarHBondContact O-N 3.27Å; H919-V921 PolarHBondContact O-N 3.19Å; V921-T923 VanDerWaalsContact C-N 3.28Å; V921-T923 PolarHBondContact O-N 3.14Å; V921-K924 PolarHBondContact O-N 3.38Å; V921-V928 HydrophobicContact CG1-CG2 3.74Å; V921-V928 HydrophobicContact CG2-CG2 4.26Å; V921-V931 HydrophobicContact CG2-CG2 3.76Å |
| 922 | S | 88 | Confident | 89.4 | Confident | 52 Ų | 52 | 38.4 Ų | 38.4 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.5 | -32.4 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 112.9 | A918 H919 K924 | A918-S922 WeakPolarHBondContact O-CB 3.34Å; A918-S922 PolarHBondContact O-N 3.32Å; H919-S922 WeakPolarHBondContact O-CB 3.37Å; H919-S922 PolarHBondContact O-N 3.02Å; S922-K924 PolarHBondContact O-N 3.17Å |
| 923 | T | 89.3 | Confident | 89.3 | Confident | 71 Ų | 71 | 38.4 Ų | 38.4 | 44% | 0.436 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 2.7 | 174.5 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | H919 L920 V921 T925 | H919-T923 PolarHBondContact O-N 3.17Å; H919-T923 PolarHBondContact O-OG1 3.46Å; L920-T923 WeakPolarHBondContact CA-OG1 3.4Å; L920-T923 PolarHBondContact O-N 3.01Å; L920-T923 PolarHBondContact O-OG1 2.98Å; V921-T923 VanDerWaalsContact C-N 3.28Å; V921-T923 PolarHBondContact O-N 3.14Å; T923-T925 PolarHBondContact O-N 2.94Å; T923-T925 PolarHBondContact OG1-OG1 3.04Å |
| 924 | K | 83.6 | Confident | 89.3 | Confident | 193 Ų | 193 | 38.4 Ų | 38.4 | 84% | 0.839 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 24.6 | -177 | -58.2 | -176.4 | 178.3 | -179.1 | 0 | 114.2 | L920 V921 S922 | L920-K924 PolarHBondContact O-N 3.35Å; V921-K924 PolarHBondContact O-N 3.38Å; S922-K924 PolarHBondContact O-N 3.17Å |
| 925 | T | 86.9 | Confident | 89.2 | Confident | 80 Ų | 80 | 39 Ų | 39 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -82.2 | -27.3 | 177.4 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | L920 T923 | L920-T925 WeakPolarHBondContact CB-OG1 3.4Å; L920-T925 PolarHBondContact O-N 3.22Å; L920-T925 PolarHBondContact O-OG1 2.84Å; T923-T925 PolarHBondContact O-N 2.94Å; T923-T925 PolarHBondContact OG1-OG1 3.04Å |
| 926 | I | 87.8 | Confident | 89.1 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 11% | 0.108 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -138.7 | 148.4 | -175.3 | -59.2 | 174.6 | 0 | 0 | 0 | 109 | S813 L920 A930 V931 | S813-I926 WeakPolarHBondContact OG-CD1 3.34Å; L920-I926 HydrophobicContact CB-CB 4.34Å; L920-I926 HydrophobicContact CB-CD1 3.79Å; L920-I926 HydrophobicContact CB-CG1 4.22Å; L920-I926 HydrophobicContact CD1-CD1 3.45Å; L920-I926 VanDerWaalsContact CD1-CD1 3.45Å; L920-I926 HydrophobicContact CG-CD1 4.15Å; I926-A930 HydrophobicContact CG2-CB 3.42Å; I926-A930 VanDerWaalsContact CG2-CB 3.42Å; I926-V931 HydrophobicContact CG2-CG2 4.41Å |
| 927 | T | 87.3 | Confident | 89 | Confident | 90 Ų | 90 | 35.6 Ų | 35.6 | 55% | 0.552 | 19% | 0.192 | S | C | * | . | trans | -81.2 | 150.7 | 172.6 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | L929 A930 V931 | T927-L929 PolarHBondContact O-N 3.4Å; T927-L929 VanDerWaalsContact O-N 3.13Å; T927-A930 WeakPolarHBondContact O-CB 3.32Å; T927-A930 PolarHBondContact O-N 3.22Å; T927-A930 PolarHBondContact OG1-N 3.05Å; T927-V931 PolarHBondContact O-N 2.9Å | ||
| 928 | V | 86 | Confident | 88.8 | Confident | 38 Ų | 38 | 35.7 Ų | 35.7 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -48.4 | -43.5 | 173.7 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | F50 V921 A930 V931 F932 | F50-V928 HydrophobicContact CB-CG1 3.66Å; F50-V928 HydrophobicContact CD1-CB 4.25Å; F50-V928 HydrophobicContact CD1-CG1 3.6Å; F50-V928 HydrophobicContact CD1-CG2 3.9Å; F50-V928 HydrophobicContact CG-CG1 3.87Å; V921-V928 HydrophobicContact CG1-CG2 3.74Å; V921-V928 HydrophobicContact CG2-CG2 4.26Å; V928-A930 VanDerWaalsContact C-N 3.31Å; V928-A930 PolarHBondContact O-N 3.41Å; V928-V931 WeakPolarHBondContact O-CB 3.47Å; V928-V931 PolarHBondContact O-N 3.49Å; V928-V931 VanDerWaalsContact O-N 3.15Å; V928-F932 HydrophobicContact CG1-CD2 4.11Å; V928-F932 HydrophobicContact CG1-CE2 3.69Å; V928-F932 WeakPolarHBondContact O-CD2 3.41Å; V928-F932 PolarHBondContact O-N 3.11Å |
| 929 | L | 87.4 | Confident | 88.5 | Confident | 26 Ų | 26 | 37.4 Ų | 37.4 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -35.9 | -179.2 | 177.2 | 151.1 | 0 | 0 | 0 | 112.9 | T927 V931 F932 R933 | T927-L929 PolarHBondContact O-N 3.4Å; T927-L929 VanDerWaalsContact O-N 3.13Å; L929-V931 VanDerWaalsContact C-N 3.29Å; L929-V931 PolarHBondContact O-N 3.11Å; L929-F932 PolarHBondContact O-N 3.44Å; L929-R933 HydrophobicContact CD2-CG 4.02Å; L929-R933 VanDerWaalsContact CD2-NE 3.26Å; L929-R933 VanDerWaalsContact CD2-NH2 3.3Å; L929-R933 PolarHBondContact O-N 2.94Å |
| 930 | A | 89.3 | Confident | 88.1 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.1 | -29.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I926 T927 V928 V934 | I926-A930 HydrophobicContact CG2-CB 3.42Å; I926-A930 VanDerWaalsContact CG2-CB 3.42Å; T927-A930 WeakPolarHBondContact O-CB 3.32Å; T927-A930 PolarHBondContact O-N 3.22Å; T927-A930 PolarHBondContact OG1-N 3.05Å; V928-A930 VanDerWaalsContact C-N 3.31Å; V928-A930 PolarHBondContact O-N 3.41Å; A930-V934 WeakPolarHBondContact O-CB 3.33Å; A930-V934 VanDerWaalsContact O-CG2 3.25Å; A930-V934 WeakPolarHBondContact O-CG2 3.31Å; A930-V934 PolarHBondContact O-N 3.07Å; A930-V934 VanDerWaalsContact O-N 3.09Å |
| 931 | V | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -50.2 | 173.1 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | F50 L816 Y914 V921 I926 T927 V928 L929 F935 | F50-V931 HydrophobicContact CZ-CG1 4.45Å; L816-V931 HydrophobicContact CD2-CB 4.35Å; L816-V931 HydrophobicContact CD2-CG1 4.14Å; Y914-V931 HydrophobicContact CD1-CG1 4.03Å; Y914-V931 HydrophobicContact CE1-CG1 4.4Å; V921-V931 HydrophobicContact CG2-CG2 3.76Å; I926-V931 HydrophobicContact CG2-CG2 4.41Å; T927-V931 PolarHBondContact O-N 2.9Å; V928-V931 WeakPolarHBondContact O-CB 3.47Å; V928-V931 PolarHBondContact O-N 3.49Å; V928-V931 VanDerWaalsContact O-N 3.15Å; L929-V931 VanDerWaalsContact C-N 3.29Å; L929-V931 PolarHBondContact O-N 3.11Å; V931-F935 WeakPolarHBondContact O-CB 3.41Å; V931-F935 PolarHBondContact O-N 3.41Å |
| 932 | F | 89 | Confident | 87.6 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 178.1 | -67.3 | -65.8 | 0 | 0 | 0 | 112.3 | V47 F50 T692 Y695 Y914 V928 L929 V934 F935 V936 | V47-F932 HydrophobicContact CG2-CE1 4.06Å; V47-F932 HydrophobicContact CG2-CZ 4.03Å; F50-F932 HydrophobicContact CB-CE2 3.97Å; F50-F932 HydrophobicContact CB-CZ 4.02Å; F50-F932 HydrophobicContact CD2-CE1 4.47Å; F50-F932 HydrophobicContact CD2-CE2 4.13Å; F50-F932 AromaticContact CD2-CZ 3.61Å; F50-F932 HydrophobicContact CD2-CZ 3.61Å; F50-F932 HydrophobicContact CE2-CZ 4.33Å; F50-F932 HydrophobicContact CG-CE2 4.09Å; F50-F932 HydrophobicContact CG-CZ 4.01Å; T692-F932 HydrophobicContact CG2-CB 4.23Å; Y695-F932 HydrophobicContact CD1-CD2 4.36Å; Y695-F932 HydrophobicContact CD1-CE2 4.32Å; Y695-F932 HydrophobicContact CD2-CB 4.04Å; Y695-F932 HydrophobicContact CD2-CD2 4.17Å; Y695-F932 HydrophobicContact CD2-CG 4.09Å; Y695-F932 HydrophobicContact CE2-CB 4.07Å; Y695-F932 HydrophobicContact CE2-CD1 4.33Å; Y695-F932 HydrophobicContact CE2-CG 4.08Å; Y695-F932 HydrophobicContact CG-CD2 4.11Å; Y695-F932 HydrophobicContact CG-CE2 4.48Å; Y695-F932 HydrophobicContact CG-CG 4.46Å; Y914-F932 HydrophobicContact CE1-CD1 4.12Å; Y914-F932 AromaticContact CE1-CE1 3.95Å; Y914-F932 HydrophobicContact CE1-CE1 3.95Å; V928-F932 HydrophobicContact CG1-CD2 4.11Å; V928-F932 HydrophobicContact CG1-CE2 3.69Å; V928-F932 WeakPolarHBondContact O-CD2 3.41Å; V928-F932 PolarHBondContact O-N 3.11Å; L929-F932 PolarHBondContact O-N 3.44Å; F932-V934 PolarHBondContact O-N 3.44Å; F932-F935 PolarHBondContact O-N 2.89Å; F932-V936 WeakPolarHBondContact O-CB 3.06Å; F932-V936 VanDerWaalsContact O-CG2 3.25Å; F932-V936 WeakPolarHBondContact O-CG2 3.46Å; F932-V936 PolarHBondContact O-N 3.4Å |
| 933 | R | 90.4 | Very high | 87.1 | Confident | 22 Ų | 22 | 34.5 Ų | 34.5 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.8 | -53.1 | 178.1 | -88.2 | -173.3 | -172.5 | 147.2 | 13 | 112.4 | T692 E693 Y812 L929 T937 | T692-R933 HydrophobicContact CG2-CB 4.38Å; T692-R933 HydrophobicContact CG2-CG 3.89Å; T692-R933 WeakPolarHBondContact OG1-CG 3.36Å; T692-R933 PolarHBondContact OG1-NE 3.4Å; E693-R933 IonicContact OE1-NH2 2.89Å; E693-R933 PolarHBondContact OE1-NH2 3.26Å; E693-R933 IonicContact OE2-CZ 3.11Å; E693-R933 IonicContact OE2-NE 2.91Å; E693-R933 IonicContact OE2-NH2 2.76Å; E693-R933 PolarHBondContact OE2-NH2 3.17Å; Y812-R933 HydrophobicContact CD2-CB 4.25Å; Y812-R933 VanDerWaalsContact CE2-CD 3.49Å; Y812-R933 PolarHBondContact OH-NH1 3.32Å; L929-R933 HydrophobicContact CD2-CG 4.02Å; L929-R933 VanDerWaalsContact CD2-NE 3.26Å; L929-R933 VanDerWaalsContact CD2-NH2 3.3Å; L929-R933 PolarHBondContact O-N 2.94Å; R933-T937 VanDerWaalsContact O-CB 3.22Å; R933-T937 WeakPolarHBondContact O-CB 3.29Å; R933-T937 PolarHBondContact O-N 2.93Å; R933-T937 VanDerWaalsContact O-N 3.12Å; R933-T937 PolarHBondContact O-OG1 3.35Å |
| 934 | V | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -45.9 | -177.1 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | L816 I820 A930 F932 I938 | L816-V934 HydrophobicContact CB-CG1 4.15Å; L816-V934 HydrophobicContact CD2-CB 3.91Å; L816-V934 HydrophobicContact CD2-CG1 3.9Å; L816-V934 HydrophobicContact CG-CB 4.44Å; L816-V934 HydrophobicContact CG-CG1 3.88Å; I820-V934 HydrophobicContact CD1-CG1 4Å; A930-V934 WeakPolarHBondContact O-CB 3.33Å; A930-V934 VanDerWaalsContact O-CG2 3.25Å; A930-V934 WeakPolarHBondContact O-CG2 3.31Å; A930-V934 PolarHBondContact O-N 3.07Å; A930-V934 VanDerWaalsContact O-N 3.09Å; F932-V934 PolarHBondContact O-N 3.44Å; V934-I938 HydrophobicContact CG1-CD1 3.89Å; V934-I938 WeakPolarHBondContact O-CG1 3.45Å; V934-I938 PolarHBondContact O-N 3.45Å; V934-I938 VanDerWaalsContact O-N 3.13Å |
| 935 | F | 88.9 | Confident | 86.4 | Confident | 16 Ų | 16 | 25.2 Ų | 25.2 | 7% | 0.07 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -53.4 | -179.7 | 176.7 | -99.9 | 0 | 0 | 0 | 112.6 | I820 V910 A913 V931 F932 T937 I938 H939 | I820-F935 HydrophobicContact CD1-CB 4.44Å; I820-F935 HydrophobicContact CD1-CD2 4.31Å; V910-F935 HydrophobicContact CB-CE2 4.35Å; V910-F935 HydrophobicContact CB-CZ 4.36Å; V910-F935 HydrophobicContact CG2-CE1 4.33Å; V910-F935 HydrophobicContact CG2-CE2 3.66Å; V910-F935 HydrophobicContact CG2-CZ 3.34Å; A913-F935 HydrophobicContact CB-CD2 3.88Å; V931-F935 WeakPolarHBondContact O-CB 3.41Å; V931-F935 PolarHBondContact O-N 3.41Å; F932-F935 PolarHBondContact O-N 2.89Å; F935-T937 VanDerWaalsContact C-N 3.33Å; F935-T937 PolarHBondContact O-N 2.95Å; F935-I938 PolarHBondContact O-N 3.42Å; F935-H939 HydrophobicContact CE1-CB 4.44Å; F935-H939 HydrophobicContact CZ-CB 4.26Å; F935-H939 WeakPolarHBondContact O-CB 3.44Å; F935-H939 PolarHBondContact O-N 3.33Å |
| 936 | V | 88.1 | Confident | 85.8 | Confident | 18 Ų | 18 | 21.5 Ų | 21.5 | 11% | 0.109 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | -176.1 | 176 | 0 | 0 | 0 | 0 | 111 | A688 Y691 T692 F932 L940 | A688-V936 HydrophobicContact CB-CG1 3.86Å; Y691-V936 HydrophobicContact CD1-CG1 3.93Å; Y691-V936 HydrophobicContact CD1-CG2 4.1Å; Y691-V936 HydrophobicContact CE1-CG1 4.22Å; Y691-V936 HydrophobicContact CE1-CG2 3.76Å; T692-V936 HydrophobicContact CG2-CB 4.33Å; T692-V936 HydrophobicContact CG2-CG2 4.24Å; F932-V936 WeakPolarHBondContact O-CB 3.06Å; F932-V936 VanDerWaalsContact O-CG2 3.25Å; F932-V936 WeakPolarHBondContact O-CG2 3.46Å; F932-V936 PolarHBondContact O-N 3.4Å; V936-L940 HydrophobicContact CG1-CD1 3.8Å; V936-L940 HydrophobicContact CG1-CG 4.27Å; V936-L940 WeakPolarHBondContact O-CB 3.42Å; V936-L940 VanDerWaalsContact O-CG 3.3Å; V936-L940 WeakPolarHBondContact O-CG 3.47Å; V936-L940 PolarHBondContact O-N 3.44Å |
| 937 | T | 89.5 | Confident | 84.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.3 | -48.9 | -178.2 | -57 | 0 | 0 | 0 | 0 | 111.5 | P685 S805 V808 R933 F935 S941 | P685-T937 HydrophobicContact CB-CG2 4.43Å; S805-T937 VanDerWaalsContact CA-CG2 3.44Å; S805-T937 WeakPolarHBondContact O-CG2 3.46Å; V808-T937 HydrophobicContact CB-CG2 4.18Å; V808-T937 HydrophobicContact CG1-CG2 4.09Å; R933-T937 VanDerWaalsContact O-CB 3.22Å; R933-T937 WeakPolarHBondContact O-CB 3.29Å; R933-T937 PolarHBondContact O-N 2.93Å; R933-T937 VanDerWaalsContact O-N 3.12Å; R933-T937 PolarHBondContact O-OG1 3.35Å; F935-T937 VanDerWaalsContact C-N 3.33Å; F935-T937 PolarHBondContact O-N 2.95Å; T937-S941 PolarHBondContact O-N 2.95Å |
| 938 | I | 89.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.6 | -43.3 | 178.8 | -61.3 | 174.3 | 0 | 0 | 0 | 110.7 | S809 T817 I820 Y824 V934 F935 L940 S941 A942 | S809-I938 VanDerWaalsContact OG-CG1 3.24Å; S809-I938 WeakPolarHBondContact OG-CG1 3.44Å; T817-I938 HydrophobicContact CG2-CD1 3.94Å; I820-I938 HydrophobicContact CB-CD1 3.94Å; I820-I938 HydrophobicContact CB-CG2 4.43Å; I820-I938 HydrophobicContact CD1-CD1 4.16Å; I820-I938 HydrophobicContact CG2-CB 3.97Å; I820-I938 HydrophobicContact CG2-CD1 4.03Å; I820-I938 HydrophobicContact CG2-CG2 3.45Å; I820-I938 VanDerWaalsContact CG2-CG2 3.45Å; Y824-I938 HydrophobicContact CD2-CG2 3.66Å; Y824-I938 HydrophobicContact CE2-CG2 4.07Å; V934-I938 HydrophobicContact CG1-CD1 3.89Å; V934-I938 WeakPolarHBondContact O-CG1 3.45Å; V934-I938 PolarHBondContact O-N 3.45Å; V934-I938 VanDerWaalsContact O-N 3.13Å; F935-I938 PolarHBondContact O-N 3.42Å; I938-L940 PolarHBondContact O-N 2.96Å; I938-S941 PolarHBondContact O-N 3.12Å; I938-S941 PolarHBondContact O-OG 3.48Å; I938-A942 WeakPolarHBondContact O-CB 3.41Å; I938-A942 PolarHBondContact O-N 2.84Å |
| 939 | H | 83.2 | Confident | 83.4 | Confident | 36 Ų | 36 | 24 Ų | 24 | 17% | 0.167 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.7 | -49.8 | -178.7 | 176.6 | 58.2 | 0 | 0 | 0 | 112.6 | L906 F935 S941 A942 Q943 | L906-H939 WeakPolarHBondContact CD1-CE1 3.23Å; L906-H939 WeakPolarHBondContact CD1-ND1 3.49Å; F935-H939 HydrophobicContact CE1-CB 4.44Å; F935-H939 HydrophobicContact CZ-CB 4.26Å; F935-H939 WeakPolarHBondContact O-CB 3.44Å; F935-H939 PolarHBondContact O-N 3.33Å; H939-S941 VanDerWaalsContact C-N 3.28Å; H939-S941 PolarHBondContact O-N 3.24Å; H939-A942 PolarHBondContact O-N 2.87Å; H939-Q943 PolarHBondContact CE1-NE2 2.87Å; H939-Q943 PolarHBondContact NE2-NE2 3.5Å; H939-Q943 PolarHBondContact O-N 3.29Å; H939-Q943 VanDerWaalsContact O-N 3.16Å |
| 940 | L | 82.1 | Confident | 82.4 | Confident | 34 Ų | 34 | 23.7 Ų | 23.7 | 18% | 0.178 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.3 | -37.7 | 178 | -75.9 | 179.8 | 0 | 0 | 0 | 112.2 | Q684 A688 V936 I938 S944 | Q684-L940 HydrophobicContact CG-CB 4.25Å; Q684-L940 HydrophobicContact CG-CD1 4.2Å; A688-L940 HydrophobicContact CB-CD1 4.26Å; V936-L940 HydrophobicContact CG1-CD1 3.8Å; V936-L940 HydrophobicContact CG1-CG 4.27Å; V936-L940 WeakPolarHBondContact O-CB 3.42Å; V936-L940 VanDerWaalsContact O-CG 3.3Å; V936-L940 WeakPolarHBondContact O-CG 3.47Å; V936-L940 PolarHBondContact O-N 3.44Å; I938-L940 PolarHBondContact O-N 2.96Å; L940-S944 PolarHBondContact O-N 3.02Å |
| 941 | S | 87.3 | Confident | 81.4 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.9 | -41.7 | 177.1 | 79.4 | 0 | 0 | 0 | 0 | 112.7 | S805 Y824 T937 I938 H939 Q943 S944 L945 | S805-S941 WeakPolarHBondContact OG-CB 3.13Å; Y824-S941 WeakPolarHBondContact CE2-OG 3.43Å; T937-S941 PolarHBondContact O-N 2.95Å; I938-S941 PolarHBondContact O-N 3.12Å; I938-S941 PolarHBondContact O-OG 3.48Å; H939-S941 VanDerWaalsContact C-N 3.28Å; H939-S941 PolarHBondContact O-N 3.24Å; S941-Q943 PolarHBondContact O-N 2.97Å; S941-S944 PolarHBondContact O-N 2.87Å; S941-L945 WeakPolarHBondContact O-CB 3.18Å; S941-L945 PolarHBondContact O-N 3.48Å |
| 942 | A | 84.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y824 I827 I938 H939 L945 G946 | Y824-A942 HydrophobicContact CD2-CB 3.71Å; Y824-A942 HydrophobicContact CE2-CB 3.55Å; I827-A942 HydrophobicContact CB-CB 4.16Å; I827-A942 HydrophobicContact CD1-CB 4.15Å; I827-A942 HydrophobicContact CG2-CB 3.71Å; I938-A942 WeakPolarHBondContact O-CB 3.41Å; I938-A942 PolarHBondContact O-N 2.84Å; H939-A942 PolarHBondContact O-N 2.87Å; A942-L945 PolarHBondContact O-N 3.18Å; A942-G946 PolarHBondContact O-N 2.91Å |
| 943 | Q | 76.3 | Confident | 79 | Confident | 70 Ų | 70 | 32.5 Ų | 32.5 | 33% | 0.327 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 176.9 | -73.5 | -170.8 | -16.6 | 0 | 0 | 112.7 | H939 S941 G946 R947 | H939-Q943 PolarHBondContact CE1-NE2 2.87Å; H939-Q943 PolarHBondContact NE2-NE2 3.5Å; H939-Q943 PolarHBondContact O-N 3.29Å; H939-Q943 VanDerWaalsContact O-N 3.16Å; S941-Q943 PolarHBondContact O-N 2.97Å; Q943-G946 PolarHBondContact O-N 3.21Å; Q943-R947 PolarHBondContact O-N 2.95Å |
| 944 | S | 78.9 | Confident | 78 | Confident | 31 Ų | 31 | 32.5 Ų | 32.5 | 22% | 0.217 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.5 | -41 | 178 | -169.9 | 0 | 0 | 0 | 0 | 111.5 | L801 L940 S941 R947 T948 | L801-S944 VanDerWaalsContact CD2-OG 3.3Å; L801-S944 WeakPolarHBondContact CD2-OG 3.45Å; L940-S944 PolarHBondContact O-N 3.02Å; S941-S944 PolarHBondContact O-N 2.87Å; S944-R947 PolarHBondContact O-N 3.49Å; S944-T948 WeakPolarHBondContact O-CG2 3.5Å; S944-T948 PolarHBondContact O-N 3.39Å; S944-T948 VanDerWaalsContact O-N 3.09Å; S944-T948 PolarHBondContact O-OG1 3.31Å; S944-T948 VanDerWaalsContact O-OG1 3.05Å |
| 945 | L | 80.7 | Confident | 77.1 | Confident | 39 Ų | 39 | 34.7 Ų | 34.7 | 20% | 0.204 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.6 | -40 | 178.3 | -168.4 | 62.6 | 0 | 0 | 0 | 112.4 | A798 M802 Y824 V828 S941 A942 R947 T948 A949 | A798-L945 HydrophobicContact CB-CD1 4.35Å; M802-L945 HydrophobicContact SD-CD2 3.91Å; Y824-L945 HydrophobicContact CE1-CD2 3.77Å; Y824-L945 WeakPolarHBondContact OH-CD2 3.39Å; V828-L945 HydrophobicContact CG1-CD2 4.4Å; V828-L945 HydrophobicContact CG1-CG 4.31Å; V828-L945 HydrophobicContact CG2-CB 4.24Å; V828-L945 HydrophobicContact CG2-CD2 3.79Å; V828-L945 HydrophobicContact CG2-CG 4.14Å; S941-L945 WeakPolarHBondContact O-CB 3.18Å; S941-L945 PolarHBondContact O-N 3.48Å; A942-L945 PolarHBondContact O-N 3.18Å; L945-R947 VanDerWaalsContact C-N 3.3Å; L945-R947 PolarHBondContact O-N 3.09Å; L945-T948 VanDerWaalsContact CA-OG1 3.32Å; L945-T948 WeakPolarHBondContact CA-OG1 3.48Å; L945-T948 PolarHBondContact O-N 2.93Å; L945-T948 PolarHBondContact O-OG1 3.45Å; L945-A949 WeakPolarHBondContact O-CB 3.42Å; L945-A949 PolarHBondContact O-N 2.96Å |
| 946 | G | 73.7 | Confident | 76.3 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -38.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G831 A942 Q943 | G831-G946 CarbonylContact C-O 3.5Å; A942-G946 PolarHBondContact O-N 2.91Å; Q943-G946 PolarHBondContact O-N 3.21Å |
| 947 | R | 65.8 | Low | 75.6 | Confident | 156 Ų | 156 | 42.8 Ų | 42.8 | 59% | 0.589 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -70.7 | -41.2 | 176.3 | -67.5 | 179.6 | -176.7 | 178.1 | 3 | 112.2 | Q943 S944 L945 T950 | Q943-R947 PolarHBondContact O-N 2.95Å; S944-R947 PolarHBondContact O-N 3.49Å; L945-R947 VanDerWaalsContact C-N 3.3Å; L945-R947 PolarHBondContact O-N 3.09Å; R947-T950 PolarHBondContact O-OG1 3.38Å |
| 948 | T | 74.8 | Confident | 75.3 | Confident | 27 Ų | 27 | 42.8 Ų | 42.8 | 17% | 0.166 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.1 | -23.3 | -178 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | A798 S944 L945 T950 L951 | A798-T948 HydrophobicContact CB-CG2 4.04Å; S944-T948 WeakPolarHBondContact O-CG2 3.5Å; S944-T948 PolarHBondContact O-N 3.39Å; S944-T948 VanDerWaalsContact O-N 3.09Å; S944-T948 PolarHBondContact O-OG1 3.31Å; S944-T948 VanDerWaalsContact O-OG1 3.05Å; L945-T948 VanDerWaalsContact CA-OG1 3.32Å; L945-T948 WeakPolarHBondContact CA-OG1 3.48Å; L945-T948 PolarHBondContact O-N 2.93Å; L945-T948 PolarHBondContact O-OG1 3.45Å; T948-T950 PolarHBondContact O-N 3.49Å; T948-L951 WeakPolarHBondContact O-CB 3.33Å; T948-L951 WeakPolarHBondContact O-CG 3.49Å; T948-L951 PolarHBondContact O-N 2.84Å |
| 949 | A | 69.9 | Low | 75 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -20.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | F832 L945 V952 | F832-A949 HydrophobicContact CB-CB 4.19Å; F832-A949 HydrophobicContact CD2-CB 4.03Å; L945-A949 WeakPolarHBondContact O-CB 3.42Å; L945-A949 PolarHBondContact O-N 2.96Å; A949-V952 WeakPolarHBondContact O-CB 3.05Å; A949-V952 VanDerWaalsContact O-CG2 3.3Å; A949-V952 WeakPolarHBondContact O-CG2 3.18Å; A949-V952 PolarHBondContact O-N 3.47Å |
| 950 | T | 66.2 | Low | 74.9 | Confident | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -22.7 | -178.4 | 62.3 | 0 | 0 | 0 | 0 | 113.8 | M835 R947 T948 V952 L953 | M835-T950 HydrophobicContact CB-CG2 3.2Å; M835-T950 HydrophobicContact CG-CG2 3.12Å; R947-T950 PolarHBondContact O-OG1 3.38Å; T948-T950 PolarHBondContact O-N 3.49Å; T950-V952 PolarHBondContact O-N 2.91Å; T950-L953 WeakPolarHBondContact O-CB 3.17Å; T950-L953 PolarHBondContact O-N 2.94Å |
| 951 | L | 68.4 | Low | 75.1 | Confident | 41 Ų | 41 | 43.4 Ų | 43.4 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -25.4 | 171.2 | -57.3 | 179.7 | 0 | 0 | 0 | 110.9 | F794 I795 T948 L953 G954 T955 | F794-L951 HydrophobicContact CB-CD1 3.86Å; I795-L951 HydrophobicContact CG1-CD1 4.46Å; T948-L951 WeakPolarHBondContact O-CB 3.33Å; T948-L951 WeakPolarHBondContact O-CG 3.49Å; T948-L951 PolarHBondContact O-N 2.84Å; L951-L953 VanDerWaalsContact C-N 3.26Å; L951-L953 PolarHBondContact O-N 2.8Å; L951-G954 PolarHBondContact O-N 3.4Å; L951-T955 PolarHBondContact O-N 3.48Å |
| 952 | V | 65.9 | Low | 75.1 | Confident | 83 Ų | 83 | 43.4 Ų | 43.4 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.1 | -32.5 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | A949 T950 G954 T955 | A949-V952 WeakPolarHBondContact O-CB 3.05Å; A949-V952 VanDerWaalsContact O-CG2 3.3Å; A949-V952 WeakPolarHBondContact O-CG2 3.18Å; A949-V952 PolarHBondContact O-N 3.47Å; T950-V952 PolarHBondContact O-N 2.91Å; V952-G954 VanDerWaalsContact C-N 3.27Å; V952-G954 PolarHBondContact O-N 2.88Å; V952-T955 WeakPolarHBondContact O-CB 3.47Å; V952-T955 PolarHBondContact O-N 3.48Å; V952-T955 VanDerWaalsContact O-N 3.14Å; V952-T955 PolarHBondContact O-OG1 2.89Å |
| 953 | L | 64.5 | Low | 75.3 | Confident | 64 Ų | 64 | 48 Ų | 48 | 34% | 0.335 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 175.5 | -65 | 172.7 | 0 | 0 | 0 | 111.2 | F832 T950 L951 T955 K956 | F832-L953 HydrophobicContact CE2-CD1 4.48Å; F832-L953 HydrophobicContact CE2-CD2 4.17Å; F832-L953 HydrophobicContact CE2-CG 4.12Å; F832-L953 HydrophobicContact CZ-CD2 4.01Å; F832-L953 HydrophobicContact CZ-CG 4.43Å; T950-L953 WeakPolarHBondContact O-CB 3.17Å; T950-L953 PolarHBondContact O-N 2.94Å; L951-L953 VanDerWaalsContact C-N 3.26Å; L951-L953 PolarHBondContact O-N 2.8Å; L953-T955 VanDerWaalsContact C-N 3.28Å; L953-T955 PolarHBondContact O-N 2.92Å; L953-K956 PolarHBondContact O-N 3.15Å |
| 954 | G | 68.5 | Low | 75.7 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -31.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L951 V952 K956 A957 A958 | L951-G954 PolarHBondContact O-N 3.4Å; V952-G954 VanDerWaalsContact C-N 3.27Å; V952-G954 PolarHBondContact O-N 2.88Å; G954-K956 VanDerWaalsContact C-N 3.3Å; G954-K956 PolarHBondContact O-N 3.03Å; G954-A957 PolarHBondContact O-N 3.12Å; G954-A958 WeakPolarHBondContact O-CB 3.46Å; G954-A958 PolarHBondContact O-N 3.24Å |
| 955 | T | 72.1 | Confident | 76.2 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 29% | 0.288 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -32 | -179.3 | 70.6 | 0 | 0 | 0 | 0 | 113.2 | I787 L951 V952 L953 A958 G959 | I787-T955 HydrophobicContact CG1-CG2 4.41Å; L951-T955 PolarHBondContact O-N 3.48Å; V952-T955 WeakPolarHBondContact O-CB 3.47Å; V952-T955 PolarHBondContact O-N 3.48Å; V952-T955 VanDerWaalsContact O-N 3.14Å; V952-T955 PolarHBondContact O-OG1 2.89Å; L953-T955 VanDerWaalsContact C-N 3.28Å; L953-T955 PolarHBondContact O-N 2.92Å; T955-A958 PolarHBondContact O-N 3.42Å; T955-G959 PolarHBondContact O-N 2.98Å |
| 956 | K | 73.1 | Confident | 76.6 | Confident | 166 Ų | 166 | 44.5 Ų | 44.5 | 72% | 0.722 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66.6 | -45.7 | 175.8 | -72.9 | -173.5 | 177.7 | -179.7 | 0 | 111.4 | L953 G954 A958 G959 S960 | L953-K956 PolarHBondContact O-N 3.15Å; G954-K956 VanDerWaalsContact C-N 3.3Å; G954-K956 PolarHBondContact O-N 3.03Å; K956-A958 VanDerWaalsContact C-N 3.32Å; K956-G959 PolarHBondContact O-N 3.36Å; K956-S960 PolarHBondContact O-N 3.24Å; K956-S960 VanDerWaalsContact O-N 3.12Å |
| 957 | A | 74.1 | Confident | 77.3 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 31% | 0.314 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | G954 S960 A961 | G954-A957 PolarHBondContact O-N 3.12Å; A957-S960 PolarHBondContact O-OG 3.44Å; A957-A961 WeakPolarHBondContact O-CB 3.34Å; A957-A961 PolarHBondContact O-N 3.07Å |
| 958 | A | 82.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.9 | -36.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R783 M786 I787 G954 T955 K956 A962 | R783-A958 WeakPolarHBondContact O-CB 3.34Å; M786-A958 HydrophobicContact CB-CB 4.21Å; I787-A958 HydrophobicContact CD1-CB 3.36Å; I787-A958 HydrophobicContact CG1-CB 3.52Å; G954-A958 WeakPolarHBondContact O-CB 3.46Å; G954-A958 PolarHBondContact O-N 3.24Å; T955-A958 PolarHBondContact O-N 3.42Å; K956-A958 VanDerWaalsContact C-N 3.32Å; A958-A962 WeakPolarHBondContact O-CB 3.3Å; A958-A962 PolarHBondContact O-N 3.42Å |
| 959 | G | 83.2 | Confident | 79.2 | Confident | 21 Ų | 21 | 42 Ų | 42 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T955 K956 K963 | T955-G959 PolarHBondContact O-N 2.98Å; K956-G959 PolarHBondContact O-N 3.36Å; G959-K963 PolarHBondContact O-N 3.01Å |
| 960 | S | 81.1 | Confident | 80.2 | Confident | 64 Ų | 64 | 44.5 Ų | 44.5 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.7 | -45.6 | 173.8 | 59 | 0 | 0 | 0 | 0 | 111.9 | K956 A957 A962 K963 C964 | K956-S960 PolarHBondContact O-N 3.24Å; K956-S960 VanDerWaalsContact O-N 3.12Å; A957-S960 PolarHBondContact O-OG 3.44Å; S960-A962 VanDerWaalsContact C-N 3.27Å; S960-A962 PolarHBondContact O-N 3.48Å; S960-K963 WeakPolarHBondContact O-CB 3.47Å; S960-K963 PolarHBondContact O-N 3.43Å; S960-K963 VanDerWaalsContact O-N 3.12Å; S960-C964 PolarHBondContact O-N 3.49Å; S960-C964 VanDerWaalsContact O-N 3.11Å; S960-C964 PolarHBondContact O-SG 2.93Å |
| 961 | A | 85.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.8 | -40.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D780 R783 V784 A957 K963 C964 I965 | D780-A961 HydrophobicContact CB-CB 3.86Å; R783-A961 HydrophobicContact CB-CB 3.8Å; V784-A961 HydrophobicContact CG2-CB 4.08Å; A957-A961 WeakPolarHBondContact O-CB 3.34Å; A957-A961 PolarHBondContact O-N 3.07Å; A961-K963 VanDerWaalsContact C-N 3.32Å; A961-K963 PolarHBondContact O-N 3.08Å; A961-C964 PolarHBondContact O-N 2.9Å; A961-I965 WeakPolarHBondContact O-CB 3.26Å; A961-I965 WeakPolarHBondContact O-CG1 3.33Å; A961-I965 PolarHBondContact O-N 3.32Å |
| 962 | A | 88 | Confident | 82.2 | Confident | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P655 I659 V784 A958 S960 L966 | P655-A962 HydrophobicContact CB-CB 4.26Å; I659-A962 HydrophobicContact CD1-CB 3.34Å; I659-A962 HydrophobicContact CG1-CB 4.16Å; V784-A962 HydrophobicContact CG2-CB 4.28Å; A958-A962 WeakPolarHBondContact O-CB 3.3Å; A958-A962 PolarHBondContact O-N 3.42Å; S960-A962 VanDerWaalsContact C-N 3.27Å; S960-A962 PolarHBondContact O-N 3.48Å; A962-L966 WeakPolarHBondContact O-CB 3.42Å; A962-L966 VanDerWaalsContact O-CG 3.28Å; A962-L966 WeakPolarHBondContact O-CG 3.39Å; A962-L966 PolarHBondContact O-N 3.28Å |
| 963 | K | 86.8 | Confident | 83.3 | Confident | 96 Ų | 96 | 50.5 Ų | 50.5 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 176.8 | -173.6 | -174.9 | 173 | -168.9 | 0 | 111.1 | G959 S960 A961 I965 L966 E967 | G959-K963 PolarHBondContact O-N 3.01Å; S960-K963 WeakPolarHBondContact O-CB 3.47Å; S960-K963 PolarHBondContact O-N 3.43Å; S960-K963 VanDerWaalsContact O-N 3.12Å; A961-K963 VanDerWaalsContact C-N 3.32Å; A961-K963 PolarHBondContact O-N 3.08Å; K963-I965 PolarHBondContact O-N 2.84Å; K963-L966 PolarHBondContact O-N 2.91Å; K963-E967 WeakPolarHBondContact CE-OE1 3.45Å; K963-E967 WeakPolarHBondContact O-CG 3.49Å; K963-E967 PolarHBondContact O-N 2.81Å |
| 964 | C | 85.6 | Confident | 84.3 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 178.5 | -63.4 | 0 | 0 | 0 | 0 | 112 | S960 A961 E967 I968 | S960-C964 PolarHBondContact O-N 3.49Å; S960-C964 VanDerWaalsContact O-N 3.11Å; S960-C964 PolarHBondContact O-SG 2.93Å; A961-C964 PolarHBondContact O-N 2.9Å; C964-E967 PolarHBondContact O-N 2.94Å; C964-I968 PolarHBondContact O-N 3.42Å |
| 965 | I | 88.8 | Confident | 85.1 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 177.5 | -72.4 | 174.8 | 0 | 0 | 0 | 111 | I659 I747 V751 D780 V784 A961 K963 E967 I968 L969 | I659-I965 HydrophobicContact CD1-CB 4.43Å; I659-I965 HydrophobicContact CD1-CG2 4.28Å; I747-I965 HydrophobicContact CG2-CD1 3.82Å; I747-I965 HydrophobicContact CG2-CG2 4.12Å; V751-I965 HydrophobicContact CG2-CG1 4.49Å; V751-I965 HydrophobicContact CG2-CG2 3.65Å; D780-I965 HydrophobicContact CB-CD1 4.18Å; D780-I965 HydrophobicContact CB-CG1 4.28Å; V784-I965 HydrophobicContact CG2-CD1 3.73Å; A961-I965 WeakPolarHBondContact O-CB 3.26Å; A961-I965 WeakPolarHBondContact O-CG1 3.33Å; A961-I965 PolarHBondContact O-N 3.32Å; K963-I965 PolarHBondContact O-N 2.84Å; I965-E967 VanDerWaalsContact C-N 3.32Å; I965-E967 PolarHBondContact O-N 2.9Å; I965-I968 PolarHBondContact O-N 3.42Å; I965-L969 HydrophobicContact CG2-CD1 3.7Å; I965-L969 HydrophobicContact CG2-CG 4.28Å; I965-L969 WeakPolarHBondContact O-CG 3.35Å; I965-L969 PolarHBondContact O-N 3.15Å |
| 966 | L | 89.4 | Confident | 85.7 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.4 | -34 | 177.7 | -72.8 | 172.7 | 0 | 0 | 0 | 112.3 | P655 R658 I659 A962 K963 I968 L969 D970 | P655-L966 HydrophobicContact CB-CD1 3.87Å; P655-L966 WeakPolarHBondContact O-CD1 3.37Å; R658-L966 HydrophobicContact CB-CD1 4.16Å; R658-L966 HydrophobicContact CG-CD1 4.36Å; R658-L966 HydrophobicContact CG-CD2 4.03Å; I659-L966 HydrophobicContact CD1-CG 4.33Å; I659-L966 HydrophobicContact CG1-CD1 4.16Å; I659-L966 HydrophobicContact CG1-CD2 4.25Å; I659-L966 HydrophobicContact CG1-CG 4.09Å; A962-L966 WeakPolarHBondContact O-CB 3.42Å; A962-L966 VanDerWaalsContact O-CG 3.28Å; A962-L966 WeakPolarHBondContact O-CG 3.39Å; A962-L966 PolarHBondContact O-N 3.28Å; K963-L966 PolarHBondContact O-N 2.91Å; L966-I968 VanDerWaalsContact C-N 3.27Å; L966-I968 PolarHBondContact O-N 3.19Å; L966-L969 PolarHBondContact O-N 3Å; L966-D970 WeakPolarHBondContact O-CB 3.48Å; L966-D970 PolarHBondContact O-N 3.43Å |
| 967 | E | 88.9 | Confident | 86 | Confident | 73 Ų | 73 | 45.9 Ų | 45.9 | 34% | 0.341 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -35.2 | 174.5 | -77 | 178.5 | 161.8 | 0 | 0 | 112.3 | K648 K963 C964 I965 R971 | K648-E967 IonicContact NZ-OE1 3.43Å; K648-E967 PolarHBondContact NZ-OE1 3.03Å; K963-E967 WeakPolarHBondContact CE-OE1 3.45Å; K963-E967 WeakPolarHBondContact O-CG 3.49Å; K963-E967 PolarHBondContact O-N 2.81Å; C964-E967 PolarHBondContact O-N 2.94Å; I965-E967 VanDerWaalsContact C-N 3.32Å; I965-E967 PolarHBondContact O-N 2.9Å; E967-R971 WeakPolarHBondContact O-CB 3.33Å; E967-R971 PolarHBondContact O-N 3.34Å |
| 968 | I | 90.4 | Very high | 86.2 | Confident | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -77.2 | -40.5 | 174.8 | -61 | 173.1 | 0 | 0 | 0 | 111.5 | V751 S754 M755 W762 K776 C964 I965 L966 | V751-I968 HydrophobicContact CG1-CG2 4.36Å; S754-I968 PolarHBondContact OG-O 3.44Å; M755-I968 HydrophobicContact CE-CD1 3.8Å; M755-I968 HydrophobicContact CE-CG2 4.49Å; M755-I968 HydrophobicContact CG-CG2 4.04Å; W762-I968 HydrophobicContact CZ2-CG1 4.39Å; K776-I968 HydrophobicContact CD-CD1 4.46Å; C964-I968 PolarHBondContact O-N 3.42Å; I965-I968 PolarHBondContact O-N 3.42Å; L966-I968 VanDerWaalsContact C-N 3.27Å; L966-I968 PolarHBondContact O-N 3.19Å |
| 969 | L | 90.5 | Very high | 86 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.8 | -32.5 | -179.8 | -70.6 | 175.2 | 0 | 0 | 0 | 113.1 | K750 V751 I965 L966 | K750-L969 HydrophobicContact CB-CD2 3.86Å; K750-L969 WeakPolarHBondContact O-CD2 3.47Å; V751-L969 HydrophobicContact CG2-CD1 4.33Å; V751-L969 HydrophobicContact CG2-CD2 4.02Å; V751-L969 HydrophobicContact CG2-CG 4.08Å; I965-L969 HydrophobicContact CG2-CD1 3.7Å; I965-L969 HydrophobicContact CG2-CG 4.28Å; I965-L969 WeakPolarHBondContact O-CG 3.35Å; I965-L969 PolarHBondContact O-N 3.15Å; L966-L969 PolarHBondContact O-N 3Å |
| 970 | D | 89.5 | Confident | 85.8 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -89.3 | -14.1 | -177.4 | -65.6 | -17.6 | 0 | 0 | 0 | 113 | R658 L966 K972 | R658-D970 IonicContact CZ-OD1 3.72Å; R658-D970 IonicContact CZ-OD2 3.83Å; R658-D970 VanDerWaalsContact CZ-OD2 3.31Å; R658-D970 VanDerWaalsContact NH1-CG 3.34Å; R658-D970 IonicContact NH1-OD1 3.19Å; R658-D970 PolarHBondContact NH1-OD1 3.41Å; R658-D970 IonicContact NH1-OD2 3.44Å; R658-D970 PolarHBondContact NH1-OD2 3.44Å; R658-D970 IonicContact NH2-OD1 3.97Å; R658-D970 PolarHBondContact NH2-OD1 3.19Å; R658-D970 IonicContact NH2-OD2 2.97Å; R658-D970 PolarHBondContact NH2-OD2 2.92Å; L966-D970 WeakPolarHBondContact O-CB 3.48Å; L966-D970 PolarHBondContact O-N 3.43Å; D970-K972 PolarHBondContact O-N 2.97Å; D970-K972 VanDerWaalsContact O-N 3.16Å |
| 971 | R | 89.3 | Confident | 86 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 22% | 0.219 | 30% | 0.302 | C | S | . | . | trans | -68.2 | 113.1 | 176.7 | -175.2 | -179.5 | -168.4 | -95.5 | -0.2 | 109.4 | Q758 E759 W762 E967 | Q758-R971 PolarHBondContact NE2-O 3.09Å; E759-R971 IonicContact OE1-CZ 3.28Å; E759-R971 VanDerWaalsContact OE1-CZ 3.25Å; E759-R971 IonicContact OE1-NH1 2.63Å; E759-R971 PolarHBondContact OE1-NH1 3.04Å; E759-R971 IonicContact OE1-NH2 3.8Å; E759-R971 PolarHBondContact OE1-NH2 3.49Å; E759-R971 IonicContact OE2-NH1 2.62Å; E759-R971 PolarHBondContact OE2-NH1 3.49Å; W762-R971 VanDerWaalsContact CD1-NE 3.25Å; E967-R971 WeakPolarHBondContact O-CB 3.33Å; E967-R971 PolarHBondContact O-N 3.34Å | ||
| 972 | K | 87.9 | Confident | 85.9 | Confident | 181 Ų | 181 | 61.2 Ų | 61.2 | 79% | 0.787 | 33% | 0.325 | S | S | * | . | trans | -76.8 | 131.8 | 167.2 | -63.8 | -174.7 | 179.7 | -177.1 | 0 | 109 | D970 | D970-K972 PolarHBondContact O-N 2.97Å; D970-K972 VanDerWaalsContact O-N 3.16Å | ||
| 973 | P | 89.1 | Confident | 85.7 | Confident | 30 Ų | 30 | 62.2 Ų | 62.2 | 20% | 0.195 | 33% | 0.331 | C | S | . | . | trans | -66.5 | 147.4 | 176.2 | 29.2 | -35.2 | 0 | 0 | 0 | 110.3 | N757 E759 I975 | N757-P973 WeakPolarHBondContact O-CB 3.42Å; E759-P973 VanDerWaalsContact OE2-CA 3.22Å; E759-P973 WeakPolarHBondContact OE2-CA 3.45Å; E759-P973 WeakPolarHBondContact OE2-CB 3.21Å; P973-I975 VanDerWaalsContact C-N 3.29Å | ||
| 974 | L | 85.1 | Confident | 85.2 | Confident | 132 Ų | 132 | 67 Ų | 67 | 69% | 0.691 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -68.2 | -36 | 173.8 | -65.9 | 173.5 | 0 | 0 | 0 | 110.6 | E759 | E759-L974 HydrophobicContact CG-CB 4.37Å; E759-L974 PolarHBondContact OE2-N 2.99Å |
| 975 | I | 85.6 | Confident | 84.9 | Confident | 10 Ų | 10 | 71.9 Ų | 71.9 | 5% | 0.051 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -117.4 | 102.4 | 178.2 | -54.9 | 174.3 | 0 | 0 | 0 | 108.1 | E759 P973 R1041 P1066 | E759-I975 HydrophobicContact CB-CB 4.07Å; E759-I975 HydrophobicContact CB-CD1 4.39Å; E759-I975 HydrophobicContact CB-CG1 4.34Å; P973-I975 VanDerWaalsContact C-N 3.29Å; I975-R1041 HydrophobicContact CG2-CG 4.48Å; I975-P1066 HydrophobicContact CG2-CG 3.79Å |
| 976 | S | 84.7 | Confident | 84.6 | Confident | 38 Ų | 38 | 80.7 Ų | 80.7 | 27% | 0.266 | 41% | 0.411 | S | S | . | . | trans | -83.3 | 130 | 178.4 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | N978 I979 P1066 | S976-N978 PolarHBondContact O-N 2.88Å; S976-I979 VanDerWaalsContact CB-CD1 3.48Å; S976-P1066 WeakPolarHBondContact O-CD 3.09Å; S976-P1066 WeakPolarHBondContact O-CG 3.23Å | ||
| 977 | T | 78.9 | Confident | 84.5 | Confident | 22 Ų | 22 | 80.4 Ų | 80.4 | 14% | 0.135 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -34.9 | -170.5 | 51.4 | 0 | 0 | 0 | 0 | 115.7 | P1066 S1067 | T977-P1066 WeakPolarHBondContact O-CD 3.46Å; T977-S1067 WeakPolarHBondContact O-CB 3.38Å; T977-S1067 PolarHBondContact O-N 3.29Å; T977-S1067 PolarHBondContact O-OG 3.24Å |
| 978 | N | 78.1 | Confident | 84.4 | Confident | 103 Ų | 103 | 83.8 Ų | 83.8 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | 9.3 | -173.7 | -64.6 | -45.4 | 0 | 0 | 0 | 114.3 | S976 S1067 | S976-N978 PolarHBondContact O-N 2.88Å; N978-S1067 WeakPolarHBondContact OD1-CB 3.34Å; N978-S1067 PolarHBondContact OD1-OG 3.17Å |
| 979 | I | 79.7 | Confident | 84.2 | Confident | 122 Ų | 122 | 83.1 Ų | 83.1 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | trans | -95.6 | 120.1 | 178.4 | -57.4 | -176.7 | 0 | 0 | 0 | 108.3 | S976 | S976-I979 VanDerWaalsContact CB-CD1 3.48Š| ||
| 980 | G | 79.3 | Confident | 84.3 | Confident | 40 Ų | 40 | 83.9 Ų | 83.9 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | S | Bend | trans | 145.9 | 173.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1063 | G980-N1063 CarbonylContact C-O 3.53Å; G980-N1063 WeakPolarHBondContact CA-O 3.47Å |
| 981 | I | 84.3 | Confident | 84.5 | Confident | 101 Ų | 101 | 80.5 Ų | 80.5 | 52% | 0.518 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -68.2 | 137.5 | 174.7 | -57.4 | 167.7 | 0 | 0 | 0 | 108.5 | P983 N1063 I1064 A1065 | I981-P983 WeakPolarHBondContact O-CD 3.2Å; I981-N1063 HydrophobicContact CD1-CB 4.31Å; I981-N1063 PolarHBondContact N-O 2.89Å; I981-I1064 CarbonylContact O-C 3.58Å; I981-I1064 VanDerWaalsContact O-CA 3.28Å; I981-I1064 WeakPolarHBondContact O-CA 3.41Å; I981-I1064 WeakPolarHBondContact O-CG2 3.29Å; I981-A1065 PolarHBondContact O-N 3.27Å |
| 982 | V | 84.8 | Confident | 84.6 | Confident | 80 Ų | 80 | 77.9 Ų | 77.9 | 49% | 0.485 | 39% | 0.393 | S | S | . | . | trans | -108.9 | 98.3 | 169.3 | -178.9 | 0 | 0 | 0 | 0 | 106.6 | H984 A1065 W1068 | V982-H984 PolarHBondContact O-N 3.36Å; V982-A1065 HydrophobicContact CG2-CB 4.03Å; V982-W1068 HydrophobicContact CG1-CB 4.39Å; V982-W1068 HydrophobicContact CG1-CG 4.11Å | ||
| 983 | P | 82.6 | Confident | 84.8 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | trans | -57.2 | 133.9 | -179.1 | -24.5 | 33.7 | 0 | 0 | 0 | 111.4 | I981 I1059 I1064 W1068 | I981-P983 WeakPolarHBondContact O-CD 3.2Å; P983-I1059 HydrophobicContact CG-CD1 4.32Å; P983-I1064 HydrophobicContact CG-CG2 4.45Å; P983-W1068 HydrophobicContact CB-CH2 4.13Å; P983-W1068 HydrophobicContact CB-CZ2 3.88Å; P983-W1068 HydrophobicContact CG-CD2 4.5Å; P983-W1068 HydrophobicContact CG-CE3 4.41Å; P983-W1068 HydrophobicContact CG-CH2 3.88Å; P983-W1068 HydrophobicContact CG-CZ2 3.97Å; P983-W1068 HydrophobicContact CG-CZ3 4.12Å | ||
| 984 | H | 77.9 | Confident | 84.9 | Confident | 198 Ų | 198 | 71.7 Ų | 71.7 | 92% | 0.917 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -78 | -26.8 | 174.2 | -66.4 | -64.3 | 0 | 0 | 0 | 112.2 | V982 | V982-H984 PolarHBondContact O-N 3.36Š|
| 985 | E | 78.4 | Confident | 85 | Confident | 147 Ų | 147 | 68.4 Ų | 68.4 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -72.6 | 143.4 | 176.5 | -64 | -170.8 | -176.3 | 0 | 0 | 111.2 | F987 | E985-F987 PolarHBondContact O-N 3.13Š|
| 986 | K | 82.3 | Confident | 85.2 | Confident | 190 Ų | 190 | 67.9 Ų | 67.9 | 83% | 0.826 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 130.3 | 174.2 | -68.8 | -175.4 | 179.2 | -178.9 | 0 | 109 | K988 | K986-K988 PolarHBondContact O-N 3.32Š|
| 987 | F | 86.7 | Confident | 85.4 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 122.6 | 173.8 | -178.1 | -128.2 | 0 | 0 | 0 | 109.5 | E985 I991 F1056 D1057 W1068 Q1072 V1155 L1156 | E985-F987 PolarHBondContact O-N 3.13Å; F987-I991 HydrophobicContact CZ-CG1 4.41Å; F987-F1056 HydrophobicContact CD2-CB 4.24Å; F987-F1056 HydrophobicContact CD2-CD2 4.18Å; F987-F1056 HydrophobicContact CD2-CG 4.47Å; F987-F1056 HydrophobicContact CE1-CD2 4.17Å; F987-F1056 HydrophobicContact CE1-CE2 4.16Å; F987-F1056 HydrophobicContact CE2-CB 3.6Å; F987-F1056 HydrophobicContact CE2-CD1 4.4Å; F987-F1056 AromaticContact CE2-CD2 3.65Å; F987-F1056 HydrophobicContact CE2-CD2 3.65Å; F987-F1056 HydrophobicContact CE2-CE2 4.4Å; F987-F1056 AromaticContact CE2-CG 3.65Å; F987-F1056 HydrophobicContact CE2-CG 3.65Å; F987-F1056 HydrophobicContact CZ-CB 4.27Å; F987-F1056 HydrophobicContact CZ-CD1 4.24Å; F987-F1056 AromaticContact CZ-CD2 3.62Å; F987-F1056 HydrophobicContact CZ-CD2 3.62Å; F987-F1056 AromaticContact CZ-CE2 3.92Å; F987-F1056 HydrophobicContact CZ-CE2 3.92Å; F987-F1056 AromaticContact CZ-CG 3.8Å; F987-F1056 HydrophobicContact CZ-CG 3.8Å; F987-F1056 HydrophobicContact CZ-CZ 4.37Å; F987-D1057 WeakPolarHBondContact CA-OD2 3.32Å; F987-D1057 WeakPolarHBondContact CD2-OD2 3.27Å; F987-W1068 HydrophobicContact CB-CH2 3.9Å; F987-W1068 HydrophobicContact CB-CZ2 4.34Å; F987-W1068 HydrophobicContact CG-CH2 4.43Å; F987-Q1072 HydrophobicContact CB-CG 4.19Å; F987-Q1072 HydrophobicContact CD1-CB 4Å; F987-Q1072 HydrophobicContact CD1-CG 4.37Å; F987-V1155 HydrophobicContact CD1-CB 4.01Å; F987-V1155 HydrophobicContact CD1-CG1 3.93Å; F987-V1155 HydrophobicContact CE1-CG1 4.4Å; F987-L1156 HydrophobicContact CE1-CB 4.12Å |
| 988 | K | 87.5 | Confident | 85.8 | Confident | 145 Ų | 145 | 66.3 Ų | 66.3 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | trans | -81.7 | -23.9 | -179.1 | -62.8 | 176.7 | -176.2 | 169 | 0 | 111.6 | K986 P1018 D1057 | K986-K988 PolarHBondContact O-N 3.32Å; K988-P1018 HydrophobicContact CB-CG 4.48Å; K988-P1018 WeakPolarHBondContact O-CB 3.42Å; K988-D1057 PolarHBondContact N-OD2 2.91Å | ||
| 989 | G | 87.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | 106.9 | 8.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | T1186 | G989-T1186 WeakPolarHBondContact O-CG2 3.22Å; G989-T1186 PolarHBondContact O-OG1 2.88Å | ||
| 990 | K | 92.5 | Very high | 86.3 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 27% | 0.265 | 30% | 0.297 | S | S | . | . | trans | -79.7 | 126.4 | 178.3 | -173.3 | -170.2 | 177.7 | -166 | 0 | 110.2 | P1018 F1056 D1057 D1058 | K990-P1018 HydrophobicContact CB-CG 4.11Å; K990-F1056 WeakPolarHBondContact O-CA 3.43Å; K990-D1057 VanDerWaalsContact CB-OD1 3.24Å; K990-D1057 WeakPolarHBondContact CB-OD1 3.31Å; K990-D1057 PolarHBondContact N-OD1 3.47Å; K990-D1057 PolarHBondContact O-N 3.3Å; K990-D1058 IonicContact NZ-OD1 2.8Å; K990-D1058 PolarHBondContact NZ-OD1 2.88Å; K990-D1058 IonicContact NZ-OD2 3.29Å; K990-D1058 PolarHBondContact NZ-OD2 3.21Å | ||
| 991 | I | 93 | Very high | 85.9 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.6 | 176.6 | -51.5 | 167.6 | 0 | 0 | 0 | 108.9 | F987 F993 T1015 V1016 V1039 V1054 F1055 F1056 L1156 L1188 | F987-I991 HydrophobicContact CZ-CG1 4.41Å; I991-F993 HydrophobicContact CG2-CD2 4.39Å; I991-F993 HydrophobicContact CG2-CE2 3.86Å; I991-F993 HydrophobicContact CG2-CZ 4.15Å; I991-T1015 CarbonylContact O-C 3.54Å; I991-T1015 WeakPolarHBondContact O-CA 3.37Å; I991-V1016 HydrophobicContact CB-CB 4.15Å; I991-V1016 HydrophobicContact CB-CG2 4.36Å; I991-V1016 PolarHBondContact N-O 2.87Å; I991-V1016 VanDerWaalsContact N-O 3.14Å; I991-V1016 PolarHBondContact O-N 3.48Å; I991-V1039 HydrophobicContact CG2-CG2 4.46Å; I991-V1054 HydrophobicContact CG2-CG1 4.16Å; I991-F1055 CarbonylContact C-O 3.6Å; I991-F1055 WeakPolarHBondContact CA-O 3.29Å; I991-F1056 HydrophobicContact CD1-CE1 4.46Å; I991-F1056 HydrophobicContact CG1-CD1 4.28Å; I991-F1056 HydrophobicContact CG1-CE1 4.01Å; I991-F1056 HydrophobicContact CG2-CD1 4.38Å; I991-F1056 HydrophobicContact CG2-CE1 4.15Å; I991-L1156 HydrophobicContact CD1-CD1 3.61Å; I991-L1156 HydrophobicContact CD1-CD2 3.34Å; I991-L1156 HydrophobicContact CD1-CG 4.12Å; I991-L1156 HydrophobicContact CG1-CD2 4.24Å; I991-L1188 HydrophobicContact CD1-CD1 3.69Å; I991-L1188 HydrophobicContact CD1-CG 4.24Å |
| 992 | S | 92.4 | Very high | 85 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.028 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 122.6 | 173.6 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | T1015 V1054 F1055 | S992-T1015 VanDerWaalsContact OG-CG2 3.26Å; S992-T1015 WeakPolarHBondContact OG-CG2 3.35Å; S992-T1015 PolarHBondContact OG-OG1 3.23Å; S992-T1015 VanDerWaalsContact OG-OG1 3.08Å; S992-V1054 CarbonylContact O-C 3.59Å; S992-V1054 WeakPolarHBondContact O-CA 3.31Å; S992-F1055 PolarHBondContact N-O 3.41Å; S992-F1055 PolarHBondContact O-N 3.33Å |
| 993 | F | 92.1 | Very high | 83.9 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.022 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 124.5 | 165.6 | -56.4 | -92.1 | 0 | 0 | 0 | 107.8 | I991 V996 F1012 S1013 H1014 L1035 V1039 V1054 | I991-F993 HydrophobicContact CG2-CD2 4.39Å; I991-F993 HydrophobicContact CG2-CE2 3.86Å; I991-F993 HydrophobicContact CG2-CZ 4.15Å; F993-V996 HydrophobicContact CB-CG2 4.06Å; F993-V996 HydrophobicContact CD1-CG2 4.32Å; F993-F1012 HydrophobicContact CB-CD1 3.86Å; F993-F1012 HydrophobicContact CB-CE1 3.95Å; F993-F1012 HydrophobicContact CD1-CD1 4.47Å; F993-F1012 HydrophobicContact CD1-CE1 4.44Å; F993-F1012 HydrophobicContact CD2-CE1 4.06Å; F993-F1012 HydrophobicContact CG-CD1 4.14Å; F993-F1012 AromaticContact CG-CE1 3.91Å; F993-F1012 HydrophobicContact CG-CE1 3.91Å; F993-S1013 CarbonylContact O-C 3.42Å; F993-S1013 VanDerWaalsContact O-CA 3.25Å; F993-S1013 WeakPolarHBondContact O-CA 3.46Å; F993-H1014 PolarHBondContact N-O 2.67Å; F993-H1014 PolarHBondContact O-N 3.47Å; F993-L1035 HydrophobicContact CD1-CD2 3.95Å; F993-L1035 HydrophobicContact CE1-CB 4.46Å; F993-L1035 HydrophobicContact CE1-CD2 3.86Å; F993-L1035 HydrophobicContact CZ-CD2 4.48Å; F993-V1039 HydrophobicContact CE1-CG2 3.78Å; F993-V1039 HydrophobicContact CZ-CG2 3.41Å; F993-V1039 VanDerWaalsContact CZ-CG2 3.41Å; F993-V1054 HydrophobicContact CD1-CB 4.44Å; F993-V1054 HydrophobicContact CD1-CG1 3.98Å; F993-V1054 HydrophobicContact CD1-CG2 3.76Å; F993-V1054 HydrophobicContact CE1-CG1 3.88Å; F993-V1054 HydrophobicContact CE1-CG2 4Å; F993-V1054 HydrophobicContact CZ-CG1 4.46Å |
| 994 | K | 90.2 | Very high | 82.6 | Confident | 75 Ų | 75 | 63.4 Ų | 63.4 | 33% | 0.326 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.9 | 176 | -61 | -176.5 | -178.2 | 176.8 | 0 | 109.2 | V996 D1051 N1052 G1053 F1055 | K994-V996 VanDerWaalsContact C-N 3.33Å; K994-V996 PolarHBondContact O-N 2.94Å; K994-D1051 WeakPolarHBondContact CB-O 3.34Å; K994-N1052 CarbonylContact O-C 3.57Å; K994-N1052 WeakPolarHBondContact O-CA 3.18Å; K994-G1053 PolarHBondContact N-O 3.25Å; K994-G1053 PolarHBondContact O-N 2.95Å; K994-F1055 HydrophobicContact CB-CE2 4.05Å; K994-F1055 HydrophobicContact CD-CD2 4.09Å; K994-F1055 HydrophobicContact CD-CE2 3.72Å; K994-F1055 HydrophobicContact CD-CZ 4.26Å; K994-F1055 HydrophobicContact CG-CD2 4.17Å; K994-F1055 HydrophobicContact CG-CE2 4.03Å |
| 995 | N | 88 | Confident | 82.1 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.2 | 52.2 | 174.6 | -57.6 | -23.4 | 0 | 0 | 0 | 113.1 | D997 N1011 F1012 S1013 N1052 | N995-D997 PolarHBondContact O-N 3.13Å; N995-N1011 VanDerWaalsContact CA-OD1 3.26Å; N995-N1011 WeakPolarHBondContact CA-OD1 3.48Å; N995-N1011 WeakPolarHBondContact CB-OD1 3.25Å; N995-N1011 VanDerWaalsContact CG-OD1 3.25Å; N995-N1011 PolarHBondContact OD1-OD1 3.25Å; N995-N1011 VanDerWaalsContact OD1-OD1 3.09Å; N995-F1012 PolarHBondContact N-O 2.67Å; N995-S1013 PolarHBondContact N-OG 2.77Å; N995-S1013 PolarHBondContact OD1-OG 3.36Å; N995-S1013 VanDerWaalsContact OD1-OG 3.06Å; N995-N1052 WeakPolarHBondContact CB-OD1 3.28Å; N995-N1052 PolarHBondContact ND2-OD1 2.87Å |
| 996 | V | 89 | Confident | 81.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 113.7 | -174.6 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | F993 K994 L1009 N1011 F1012 L1038 P1045 G1053 V1054 | F993-V996 HydrophobicContact CB-CG2 4.06Å; F993-V996 HydrophobicContact CD1-CG2 4.32Å; K994-V996 VanDerWaalsContact C-N 3.33Å; K994-V996 PolarHBondContact O-N 2.94Å; V996-L1009 HydrophobicContact CG1-CD1 4.18Å; V996-N1011 PolarHBondContact O-N 2.92Å; V996-F1012 HydrophobicContact CB-CB 4.44Å; V996-F1012 PolarHBondContact N-O 3.38Å; V996-F1012 PolarHBondContact O-N 3.21Å; V996-L1038 HydrophobicContact CG1-CD1 3.74Å; V996-P1045 HydrophobicContact CG1-CB 4.16Å; V996-P1045 HydrophobicContact CG1-CG 4.08Å; V996-G1053 WeakPolarHBondContact CG2-O 3.48Å; V996-V1054 HydrophobicContact CG2-CG2 4.29Å |
| 997 | D | 88.4 | Confident | 81.9 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.6 | 167 | -71.3 | -63 | 0 | 0 | 0 | 110.1 | N995 L1009 K1010 N1011 L1046 Y1047 | N995-D997 PolarHBondContact O-N 3.13Å; D997-L1009 WeakPolarHBondContact CA-O 3.37Å; D997-K1010 VanDerWaalsContact OD1-CA 3.24Å; D997-K1010 WeakPolarHBondContact OD1-CA 3.32Å; D997-N1011 PolarHBondContact OD1-N 2.91Å; D997-L1046 HydrophobicContact CB-CB 4.42Å; D997-L1046 HydrophobicContact CB-CD1 4.38Å; D997-L1046 PolarHBondContact O-N 3.29Å; D997-Y1047 HydrophobicContact CB-CD2 3.64Å; D997-Y1047 HydrophobicContact CB-CE2 3.71Å; D997-Y1047 WeakPolarHBondContact OD2-CD2 3.37Å; D997-Y1047 WeakPolarHBondContact OD2-CE2 3.43Å |
| 998 | F | 88.1 | Confident | 81.8 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 147.3 | -178 | -177.8 | -98.7 | 0 | 0 | 0 | 114 | Y1000 V1008 L1009 T1034 L1038 Y1043 | F998-Y1000 AromaticContact CE1-CD1 3.79Å; F998-Y1000 HydrophobicContact CE1-CD1 3.79Å; F998-Y1000 AromaticContact CE1-CD2 3.85Å; F998-Y1000 HydrophobicContact CE1-CD2 3.85Å; F998-Y1000 AromaticContact CE1-CE1 3.79Å; F998-Y1000 HydrophobicContact CE1-CE1 3.79Å; F998-Y1000 AromaticContact CE1-CE2 3.84Å; F998-Y1000 HydrophobicContact CE1-CE2 3.84Å; F998-Y1000 AromaticContact CE1-CG 3.81Å; F998-Y1000 HydrophobicContact CE1-CG 3.81Å; F998-Y1000 AromaticContact CE1-CZ 3.81Å; F998-Y1000 AromaticContact CZ-CD1 3.92Å; F998-Y1000 HydrophobicContact CZ-CD1 3.92Å; F998-Y1000 HydrophobicContact CZ-CE1 4.07Å; F998-Y1000 HydrophobicContact CZ-CG 4.25Å; F998-V1008 PolarHBondContact O-N 3.37Å; F998-L1009 HydrophobicContact CB-CB 4.04Å; F998-L1009 HydrophobicContact CB-CD1 4.11Å; F998-L1009 HydrophobicContact CB-CG 4.33Å; F998-L1009 PolarHBondContact N-O 2.57Å; F998-L1009 VanDerWaalsContact N-O 3.14Å; F998-L1009 PolarHBondContact O-N 3.49Å; F998-T1034 HydrophobicContact CD1-CG2 3.26Å; F998-T1034 HydrophobicContact CE1-CG2 3.5Å; F998-T1034 VanDerWaalsContact CE1-CG2 3.5Å; F998-T1034 HydrophobicContact CG-CG2 4.11Å; F998-L1038 HydrophobicContact CB-CD1 4.32Å; F998-L1038 HydrophobicContact CD2-CD2 3.89Å; F998-L1038 HydrophobicContact CE2-CD2 4.15Å; F998-L1038 HydrophobicContact CG-CD1 4.4Å; F998-L1038 HydrophobicContact CG-CD2 4.43Å; F998-Y1043 VanDerWaalsContact CE2-CB 3.43Å; F998-Y1043 AromaticContact CE2-CG 4Å; F998-Y1043 HydrophobicContact CE2-CG 4Å; F998-Y1043 HydrophobicContact CZ-CD1 4.09Å; F998-Y1043 HydrophobicContact CZ-CD2 4.13Å; F998-Y1043 AromaticContact CZ-CG 3.7Å; F998-Y1043 HydrophobicContact CZ-CG 3.7Å |
| 999 | K | 86.7 | Confident | 81.9 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | trans | -145.9 | 135.1 | 175.8 | 172.5 | -178.2 | 172.9 | -168.8 | 0 | 109.2 | Q1003 T1004 L1046 | K999-Q1003 WeakPolarHBondContact CE-O 3.39Å; K999-T1004 WeakPolarHBondContact CE-O 3.42Å; K999-T1004 PolarHBondContact NZ-O 3.11Å; K999-L1046 HydrophobicContact CB-CD1 3.79Å; K999-L1046 HydrophobicContact CB-CD2 4.28Å; K999-L1046 HydrophobicContact CB-CG 4.29Å | ||
| 1000 | Y | 82.1 | Confident | 81.9 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 18% | 0.176 | 27% | 0.27 | C | S | . | . | trans | -69.3 | 144.6 | 174.9 | -75.4 | -77.2 | 0 | 0 | 0 | 111.3 | F998 A1002 Q1003 V1008 T1034 Q1037 Y1043 | F998-Y1000 AromaticContact CE1-CD1 3.79Å; F998-Y1000 HydrophobicContact CE1-CD1 3.79Å; F998-Y1000 AromaticContact CE1-CD2 3.85Å; F998-Y1000 HydrophobicContact CE1-CD2 3.85Å; F998-Y1000 AromaticContact CE1-CE1 3.79Å; F998-Y1000 HydrophobicContact CE1-CE1 3.79Å; F998-Y1000 AromaticContact CE1-CE2 3.84Å; F998-Y1000 HydrophobicContact CE1-CE2 3.84Å; F998-Y1000 AromaticContact CE1-CG 3.81Å; F998-Y1000 HydrophobicContact CE1-CG 3.81Å; F998-Y1000 AromaticContact CE1-CZ 3.81Å; F998-Y1000 AromaticContact CZ-CD1 3.92Å; F998-Y1000 HydrophobicContact CZ-CD1 3.92Å; F998-Y1000 HydrophobicContact CZ-CE1 4.07Å; F998-Y1000 HydrophobicContact CZ-CG 4.25Å; Y1000-A1002 VanDerWaalsContact C-N 3.3Å; Y1000-A1002 PolarHBondContact O-N 3.11Å; Y1000-Q1003 PolarHBondContact O-N 2.91Å; Y1000-Q1003 VanDerWaalsContact O-O 3.07Å; Y1000-V1008 HydrophobicContact CD2-CG2 3.81Å; Y1000-V1008 HydrophobicContact CE2-CG2 4.02Å; Y1000-T1034 HydrophobicContact CE2-CG2 4.24Å; Y1000-T1034 PolarHBondContact OH-OG1 3.42Å; Y1000-Q1037 PolarHBondContact OH-OE1 2.69Å; Y1000-Y1043 HydrophobicContact CD1-CE1 4.16Å; Y1000-Y1043 HydrophobicContact CE1-CD2 4.41Å; Y1000-Y1043 HydrophobicContact CE1-CE1 4.2Å; Y1000-Y1043 AromaticContact CE1-CE2 3.86Å; Y1000-Y1043 HydrophobicContact CE1-CE2 3.86Å; Y1000-Y1043 AromaticContact CE1-CZ 3.74Å | ||
| 1001 | S | 71 | Confident | 81.6 | Confident | 74 Ų | 74 | 58.1 Ų | 58.1 | 52% | 0.517 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -69.6 | -25.1 | -178.2 | -66.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1002 | A | 64.5 | Low | 81.5 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 28% | 0.281 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -75.9 | -31.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1000 | Y1000-A1002 VanDerWaalsContact C-N 3.3Å; Y1000-A1002 PolarHBondContact O-N 3.11Å |
| 1003 | Q | 60.9 | Low | 81.4 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | trans | -102.6 | 109.1 | -178.2 | -68.2 | -179.5 | -0.9 | 0 | 0 | 110.5 | K999 Y1000 E1005 | K999-Q1003 WeakPolarHBondContact CE-O 3.39Å; Y1000-Q1003 PolarHBondContact O-N 2.91Å; Y1000-Q1003 VanDerWaalsContact O-O 3.07Å; Q1003-E1005 VanDerWaalsContact C-N 3.32Å; Q1003-E1005 PolarHBondContact O-N 3.37Å | ||
| 1004 | T | 56.6 | Low | 81.3 | Confident | 101 Ų | 101 | 60.4 Ų | 60.4 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -77.8 | -3.5 | -171.5 | 40.5 | 0 | 0 | 0 | 0 | 115.3 | K999 | K999-T1004 WeakPolarHBondContact CE-O 3.42Å; K999-T1004 PolarHBondContact NZ-O 3.11Å |
| 1005 | E | 66.6 | Low | 81.4 | Confident | 139 Ų | 139 | 60 Ų | 60 | 65% | 0.65 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -125.8 | -42.8 | -173.9 | -60.4 | -156.5 | 152.8 | 0 | 0 | 115.4 | S622 Q1003 | S622-E1005 PolarHBondContact OG-OE1 3.37Å; Q1003-E1005 VanDerWaalsContact C-N 3.32Å; Q1003-E1005 PolarHBondContact O-N 3.37Å |
| 1006 | R | 75.3 | Confident | 81.7 | Confident | 169 Ų | 169 | 57 Ų | 57 | 64% | 0.638 | 29% | 0.285 | S | S | * | . | trans | -85.1 | 123 | -170.6 | -164.9 | 174 | 179.7 | 176.5 | 0.4 | 113 | ||||
| 1007 | R | 81.2 | Confident | 81.8 | Confident | 121 Ų | 121 | 63.8 Ų | 63.8 | 46% | 0.457 | 31% | 0.314 | S | S | . | . | trans | -79.2 | 129.3 | 166.8 | -64.8 | -175.8 | -175.6 | 179.7 | 1.6 | 109.6 | K1010 | R1007-K1010 HydrophobicContact CB-CG 4.45Š| ||
| 1008 | V | 85.9 | Confident | 81.9 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -90.9 | -43.8 | -177.7 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | F998 Y1000 T1034 G1209 | F998-V1008 PolarHBondContact O-N 3.37Å; Y1000-V1008 HydrophobicContact CD2-CG2 3.81Å; Y1000-V1008 HydrophobicContact CE2-CG2 4.02Å; V1008-T1034 HydrophobicContact CG1-CG2 4.36Å; V1008-G1209 WeakPolarHBondContact O-CA 3.3Å |
| 1009 | L | 88.4 | Confident | 82 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.7 | 174.4 | -63.2 | 174.4 | 0 | 0 | 0 | 109.7 | V996 D997 F998 T1034 L1035 L1038 L1206 | V996-L1009 HydrophobicContact CG1-CD1 4.18Å; D997-L1009 WeakPolarHBondContact CA-O 3.37Å; F998-L1009 HydrophobicContact CB-CB 4.04Å; F998-L1009 HydrophobicContact CB-CD1 4.11Å; F998-L1009 HydrophobicContact CB-CG 4.33Å; F998-L1009 PolarHBondContact N-O 2.57Å; F998-L1009 VanDerWaalsContact N-O 3.14Å; F998-L1009 PolarHBondContact O-N 3.49Å; L1009-T1034 HydrophobicContact CD1-CG2 4.1Å; L1009-T1034 HydrophobicContact CG-CG2 4.41Å; L1009-L1035 HydrophobicContact CD1-CD2 3.59Å; L1009-L1035 HydrophobicContact CD1-CG 4.11Å; L1009-L1035 HydrophobicContact CD2-CD2 4.3Å; L1009-L1035 HydrophobicContact CD2-CG 4.27Å; L1009-L1038 HydrophobicContact CD1-CD1 3.64Å; L1009-L1206 HydrophobicContact CD2-CD2 4.28Å |
| 1010 | K | 87.1 | Confident | 82.2 | Confident | 93 Ų | 93 | 65.9 Ų | 65.9 | 40% | 0.404 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 106.6 | -176.9 | -63 | 178.2 | -168.6 | 164.4 | 0 | 109 | D997 R1007 F1012 D1208 G1209 C1210 | D997-K1010 VanDerWaalsContact OD1-CA 3.24Å; D997-K1010 WeakPolarHBondContact OD1-CA 3.32Å; R1007-K1010 HydrophobicContact CB-CG 4.45Å; K1010-F1012 VanDerWaalsContact C-N 3.28Å; K1010-F1012 PolarHBondContact O-N 3.01Å; K1010-F1012 VanDerWaalsContact O-N 3.16Å; K1010-D1208 WeakPolarHBondContact CD-O 3.21Å; K1010-G1209 PolarHBondContact N-O 2.78Å; K1010-C1210 PolarHBondContact O-SG 3.19Å |
| 1011 | N | 86.3 | Confident | 82.6 | Confident | 98 Ų | 98 | 64.4 Ų | 64.4 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.1 | 43.6 | 176.5 | -162.3 | 26.8 | 0 | 0 | 0 | 114.6 | N995 V996 D997 | N995-N1011 VanDerWaalsContact CA-OD1 3.26Å; N995-N1011 WeakPolarHBondContact CA-OD1 3.48Å; N995-N1011 WeakPolarHBondContact CB-OD1 3.25Å; N995-N1011 VanDerWaalsContact CG-OD1 3.25Å; N995-N1011 PolarHBondContact OD1-OD1 3.25Å; N995-N1011 VanDerWaalsContact OD1-OD1 3.09Å; V996-N1011 PolarHBondContact O-N 2.92Å; D997-N1011 PolarHBondContact OD1-N 2.91Å |
| 1012 | F | 89.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.8 | -175.6 | -179.4 | -91.2 | 0 | 0 | 0 | 112.1 | F993 N995 V996 K1010 H1014 L1035 V1204 L1206 K1211 | F993-F1012 HydrophobicContact CB-CD1 3.86Å; F993-F1012 HydrophobicContact CB-CE1 3.95Å; F993-F1012 HydrophobicContact CD1-CD1 4.47Å; F993-F1012 HydrophobicContact CD1-CE1 4.44Å; F993-F1012 HydrophobicContact CD2-CE1 4.06Å; F993-F1012 HydrophobicContact CG-CD1 4.14Å; F993-F1012 AromaticContact CG-CE1 3.91Å; F993-F1012 HydrophobicContact CG-CE1 3.91Å; N995-F1012 PolarHBondContact N-O 2.67Å; V996-F1012 HydrophobicContact CB-CB 4.44Å; V996-F1012 PolarHBondContact N-O 3.38Å; V996-F1012 PolarHBondContact O-N 3.21Å; K1010-F1012 VanDerWaalsContact C-N 3.28Å; K1010-F1012 PolarHBondContact O-N 3.01Å; K1010-F1012 VanDerWaalsContact O-N 3.16Å; F1012-H1014 HydrophobicContact CE1-CB 3.89Å; F1012-H1014 HydrophobicContact CZ-CB 3.9Å; F1012-L1035 HydrophobicContact CD1-CD1 4.24Å; F1012-L1035 HydrophobicContact CD1-CD2 3.61Å; F1012-L1035 HydrophobicContact CE1-CD1 3.71Å; F1012-L1035 HydrophobicContact CE1-CD2 3.73Å; F1012-L1035 HydrophobicContact CE1-CG 4.41Å; F1012-L1035 HydrophobicContact CE2-CD1 4.06Å; F1012-L1035 HydrophobicContact CG-CD2 4.24Å; F1012-L1035 HydrophobicContact CZ-CD1 3.6Å; F1012-L1035 HydrophobicContact CZ-CD2 4.45Å; F1012-V1204 HydrophobicContact CE2-CG1 4.28Å; F1012-V1204 HydrophobicContact CZ-CG1 4.23Å; F1012-L1206 HydrophobicContact CD2-CD2 3.89Å; F1012-L1206 HydrophobicContact CD2-CG 4.46Å; F1012-L1206 HydrophobicContact CE2-CD1 4.32Å; F1012-L1206 HydrophobicContact CE2-CD2 3.67Å; F1012-L1206 HydrophobicContact CE2-CG 3.89Å; F1012-L1206 HydrophobicContact CZ-CD2 4.46Å; F1012-K1211 HydrophobicContact CD2-CB 4.02Å; F1012-K1211 HydrophobicContact CE2-CB 3.79Å |
| 1013 | S | 90.6 | Very high | 84.9 | Confident | 39 Ų | 39 | 59.3 Ų | 59.3 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 122.4 | -179.4 | -70 | 0 | 0 | 0 | 0 | 112.8 | F993 N995 K1211 | F993-S1013 CarbonylContact O-C 3.42Å; F993-S1013 VanDerWaalsContact O-CA 3.25Å; F993-S1013 WeakPolarHBondContact O-CA 3.46Å; N995-S1013 PolarHBondContact N-OG 2.77Å; N995-S1013 PolarHBondContact OD1-OG 3.36Å; N995-S1013 VanDerWaalsContact OD1-OG 3.06Å; S1013-K1211 WeakPolarHBondContact O-CE 3.33Å; S1013-K1211 PolarHBondContact O-NZ 3.45Å |
| 1014 | H | 91.5 | Very high | 86.4 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 150.6 | 178.5 | -168.6 | 73.3 | 0 | 0 | 0 | 111.9 | F993 F1012 L1202 V1204 | F993-H1014 PolarHBondContact N-O 2.67Å; F993-H1014 PolarHBondContact O-N 3.47Å; F1012-H1014 HydrophobicContact CE1-CB 3.89Å; F1012-H1014 HydrophobicContact CZ-CB 3.9Å; H1014-L1202 VanDerWaalsContact CE1-CD2 3.48Å; H1014-L1202 WeakPolarHBondContact CE1-CD2 3.33Å; H1014-L1202 WeakPolarHBondContact NE2-CD2 3.48Å; H1014-V1204 VanDerWaalsContact CE1-CG2 3.4Å; H1014-V1204 WeakPolarHBondContact CE1-CG2 3.42Å; H1014-V1204 WeakPolarHBondContact NE2-CG2 3.35Å |
| 1015 | T | 92.5 | Very high | 87.9 | Confident | 66 Ų | 66 | 50.7 Ų | 50.7 | 41% | 0.405 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.5 | 179 | -65 | 0 | 0 | 0 | 0 | 111.1 | I991 S992 | I991-T1015 CarbonylContact O-C 3.54Å; I991-T1015 WeakPolarHBondContact O-CA 3.37Å; S992-T1015 VanDerWaalsContact OG-CG2 3.26Å; S992-T1015 WeakPolarHBondContact OG-CG2 3.35Å; S992-T1015 PolarHBondContact OG-OG1 3.23Å; S992-T1015 VanDerWaalsContact OG-OG1 3.08Å |
| 1016 | V | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.3 | 175.6 | -176 | 0 | 0 | 0 | 0 | 109.2 | I991 V1022 T1186 L1188 | I991-V1016 HydrophobicContact CB-CB 4.15Å; I991-V1016 HydrophobicContact CB-CG2 4.36Å; I991-V1016 PolarHBondContact N-O 2.87Å; I991-V1016 VanDerWaalsContact N-O 3.14Å; I991-V1016 PolarHBondContact O-N 3.48Å; V1016-V1022 HydrophobicContact CB-CG2 4.27Å; V1016-V1022 HydrophobicContact CG1-CG2 3.68Å; V1016-V1022 HydrophobicContact CG2-CB 4.35Å; V1016-V1022 HydrophobicContact CG2-CG2 3.98Å; V1016-T1186 HydrophobicContact CG1-CG2 3.57Å; V1016-L1188 HydrophobicContact CG2-CD2 3.85Å |
| 1017 | K | 92.1 | Very high | 89.1 | Confident | 143 Ų | 143 | 39.5 Ų | 39.5 | 62% | 0.622 | 21% | 0.213 | S | C | * | . | P | Polyproline II helix | trans | -83.6 | 153.5 | 177.1 | -62.6 | 179.2 | -178.4 | 176.8 | 0 | 111.1 | G1019 Q1020 | K1017-G1019 PolarHBondContact O-N 3.02Å; K1017-Q1020 HydrophobicContact CB-CB 4.23Å; K1017-Q1020 VanDerWaalsContact N-OE1 3.11Å; K1017-Q1020 WeakPolarHBondContact O-CB 3.31Å; K1017-Q1020 PolarHBondContact O-N 3.36Å |
| 1018 | P | 90.9 | Very high | 89 | Confident | 73 Ų | 73 | 38.6 Ų | 38.6 | 47% | 0.474 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 131.9 | 171.5 | -30.1 | 38.2 | 0 | 0 | 0 | 113 | K988 K990 Q1020 | K988-P1018 HydrophobicContact CB-CG 4.48Å; K988-P1018 WeakPolarHBondContact O-CB 3.42Å; K990-P1018 HydrophobicContact CB-CG 4.11Å; P1018-Q1020 PolarHBondContact O-N 3.22Å |
| 1019 | G | 88.7 | Confident | 88.6 | Confident | 31 Ų | 31 | 40.7 Ų | 40.7 | 32% | 0.32 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 2.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1017 T1186 | K1017-G1019 PolarHBondContact O-N 3.02Å; G1019-T1186 PolarHBondContact N-OG1 2.96Å |
| 1020 | Q | 91 | Very high | 88.3 | Confident | 32 Ų | 32 | 40.9 Ų | 40.9 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | trans | -87.7 | 139.7 | -179.7 | -167.5 | 178.4 | 12.6 | 0 | 0 | 111.2 | K1017 P1018 V1022 S1187 D1201 | K1017-Q1020 HydrophobicContact CB-CB 4.23Å; K1017-Q1020 VanDerWaalsContact N-OE1 3.11Å; K1017-Q1020 WeakPolarHBondContact O-CB 3.31Å; K1017-Q1020 PolarHBondContact O-N 3.36Å; P1018-Q1020 PolarHBondContact O-N 3.22Å; Q1020-V1022 HydrophobicContact CG-CG2 4.08Å; Q1020-S1187 PolarHBondContact O-N 2.92Å; Q1020-D1201 WeakPolarHBondContact CA-OD2 2.92Å; Q1020-D1201 HydrophobicContact CG-CB 3.7Å | ||
| 1021 | T | 91.4 | Very high | 88.2 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 9% | 0.092 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 115.9 | 170.4 | -59.4 | 0 | 0 | 0 | 0 | 110.2 | M1182 S1187 V1189 A1200 D1201 L1202 | T1021-M1182 HydrophobicContact CG2-SD 3.78Å; T1021-S1187 WeakPolarHBondContact CA-O 3.32Å; T1021-V1189 HydrophobicContact CG2-CG2 4.07Å; T1021-A1200 HydrophobicContact CG2-CB 4.17Å; T1021-D1201 PolarHBondContact N-OD2 3.41Å; T1021-D1201 PolarHBondContact O-N 3.22Å; T1021-D1201 VanDerWaalsContact O-N 3.1Å; T1021-L1202 PolarHBondContact O-N 2.97Å |
| 1022 | V | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119.5 | -179.1 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | V1016 Q1020 L1024 S1187 L1188 V1189 L1202 V1204 | V1016-V1022 HydrophobicContact CB-CG2 4.27Å; V1016-V1022 HydrophobicContact CG1-CG2 3.68Å; V1016-V1022 HydrophobicContact CG2-CB 4.35Å; V1016-V1022 HydrophobicContact CG2-CG2 3.98Å; Q1020-V1022 HydrophobicContact CG-CG2 4.08Å; V1022-L1024 HydrophobicContact CG1-CD2 4.47Å; V1022-S1187 PolarHBondContact N-O 3.02Å; V1022-L1188 HydrophobicContact CB-CD2 4.12Å; V1022-V1189 PolarHBondContact O-N 3.05Å; V1022-L1202 CarbonylContact C-O 3.54Å; V1022-L1202 VanDerWaalsContact CA-O 3.28Å; V1022-L1202 WeakPolarHBondContact CA-O 3.09Å; V1022-L1202 HydrophobicContact CG1-CD2 4.49Å; V1022-L1202 HydrophobicContact CG2-CB 4.24Å; V1022-L1202 HydrophobicContact CG2-CD2 4.26Å; V1022-V1204 HydrophobicContact CG1-CG2 3.73Å |
| 1023 | A | 91.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1025 V1189 I1197 A1200 L1202 V1203 V1204 | A1023-V1025 HydrophobicContact CB-CG2 4.44Å; A1023-V1189 CarbonylContact C-O 3.58Å; A1023-V1189 VanDerWaalsContact CA-O 3.27Å; A1023-V1189 WeakPolarHBondContact CA-O 3.45Å; A1023-I1197 HydrophobicContact CB-CB 4.31Å; A1023-I1197 HydrophobicContact CB-CG1 3.98Å; A1023-I1197 HydrophobicContact CB-CG2 3.55Å; A1023-A1200 HydrophobicContact CB-CB 3.95Å; A1023-L1202 PolarHBondContact N-O 3.49Å; A1023-V1203 HydrophobicContact CB-CG2 4.32Å; A1023-V1203 CarbonylContact O-C 3.52Å; A1023-V1203 WeakPolarHBondContact O-CA 3.49Å; A1023-V1204 PolarHBondContact O-N 2.89Å |
| 1024 | L | 91.5 | Very high | 88.2 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.3 | 175.8 | -57.7 | 178.9 | 0 | 0 | 0 | 109.2 | V1022 L1035 L1036 V1189 V1190 V1204 L1206 | V1022-L1024 HydrophobicContact CG1-CD2 4.47Å; L1024-L1035 HydrophobicContact CD1-CB 4.05Å; L1024-L1035 HydrophobicContact CD1-CD1 3.87Å; L1024-L1035 HydrophobicContact CD2-CD1 4.36Å; L1024-L1036 HydrophobicContact CD1-CD2 4.15Å; L1024-V1189 PolarHBondContact N-O 2.65Å; L1024-V1190 HydrophobicContact CB-CG2 4.03Å; L1024-V1190 HydrophobicContact CD1-CG2 4.08Å; L1024-V1204 HydrophobicContact CD2-CB 3.93Å; L1024-V1204 HydrophobicContact CD2-CG1 4.41Å; L1024-V1204 HydrophobicContact CD2-CG2 4.4Å; L1024-L1206 HydrophobicContact CB-CD1 4.15Å; L1024-L1206 HydrophobicContact CD2-CD1 4.16Å |
| 1025 | V | 88.8 | Confident | 88.2 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 154.6 | -172.8 | -161.1 | 0 | 0 | 0 | 0 | 109.8 | A1023 I1197 V1203 V1204 V1205 L1206 F1227 L1230 | A1023-V1025 HydrophobicContact CB-CG2 4.44Å; V1025-I1197 HydrophobicContact CG1-CD1 4.3Å; V1025-I1197 HydrophobicContact CG2-CD1 3.46Å; V1025-I1197 VanDerWaalsContact CG2-CD1 3.46Å; V1025-I1197 HydrophobicContact CG2-CG1 4.44Å; V1025-V1203 HydrophobicContact CB-CG1 4.41Å; V1025-V1203 HydrophobicContact CG2-CG1 3.62Å; V1025-V1204 PolarHBondContact N-O 3.23Å; V1025-V1205 CarbonylContact O-C 3.54Å; V1025-V1205 WeakPolarHBondContact O-CA 3.43Å; V1025-L1206 PolarHBondContact O-N 3.47Å; V1025-F1227 HydrophobicContact CG2-CE2 4.44Å; V1025-L1230 HydrophobicContact CG1-CD1 4.02Å |
| 1026 | G | 84.9 | Confident | 88.2 | Confident | 9 Ų | 9 | 28.8 Ų | 28.8 | 9% | 0.093 | 19% | 0.19 | C | C | . | . | trans | 157.7 | 177.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1032 L1206 | G1026-K1032 PolarHBondContact O-NZ 3.4Å; G1026-L1206 WeakPolarHBondContact CA-O 3.05Å | ||
| 1027 | P | 81.8 | Confident | 88.1 | Confident | 63 Ų | 63 | 29.9 Ų | 29.9 | 41% | 0.409 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -67.6 | 167.8 | 178.4 | 27.3 | -31.5 | 0 | 0 | 0 | 112 | C1030 K1032 L1206 | P1027-C1030 HydrophobicContact CG-CB 4.1Å; P1027-C1030 PolarHBondContact O-N 3.44Å; P1027-C1030 PolarHBondContact O-SG 2.81Å; P1027-K1032 PolarHBondContact O-NZ 2.86Å; P1027-L1206 VanDerWaalsContact CD-O 3.29Å; P1027-L1206 WeakPolarHBondContact CD-O 3.19Å |
| 1028 | S | 79.4 | Confident | 88.1 | Confident | 102 Ų | 102 | 23.2 Ų | 23.2 | 71% | 0.713 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 136.1 | 174.9 | -66 | 0 | 0 | 0 | 0 | 111.2 | C1030 | S1028-C1030 VanDerWaalsContact C-N 3.34Å; S1028-C1030 PolarHBondContact O-N 3.43Å |
| 1029 | G | 76.7 | Confident | 88.2 | Confident | 63 Ų | 63 | 19.7 Ų | 19.7 | 65% | 0.649 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 6.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | G1031 | G1029-G1031 PolarHBondContact O-N 3.38Š|
| 1030 | C | 82.9 | Confident | 88.3 | Confident | 5 Ų | 5 | 18.5 Ų | 18.5 | 3% | 0.034 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -76.8 | -4 | 177.6 | 72.6 | 0 | 0 | 0 | 0 | 115 | P1027 S1028 K1032 L1206 G1209 | P1027-C1030 HydrophobicContact CG-CB 4.1Å; P1027-C1030 PolarHBondContact O-N 3.44Å; P1027-C1030 PolarHBondContact O-SG 2.81Å; S1028-C1030 VanDerWaalsContact C-N 3.34Å; S1028-C1030 PolarHBondContact O-N 3.43Å; C1030-K1032 WeakPolarHBondContact SG-CG 3.21Å; C1030-L1206 HydrophobicContact CB-CB 4.43Å; C1030-G1209 WeakPolarHBondContact O-CA 3.44Å; C1030-G1209 PolarHBondContact O-N 3.14Å |
| 1031 | G | 84.9 | Confident | 88.4 | Confident | 4 Ų | 4 | 17.7 Ų | 17.7 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 104 | 13.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | G1029 T1034 L1035 | G1029-G1031 PolarHBondContact O-N 3.38Å; G1031-T1034 VanDerWaalsContact O-CB 3.3Å; G1031-T1034 WeakPolarHBondContact O-CB 3.38Å; G1031-T1034 PolarHBondContact O-N 2.83Å; G1031-L1035 PolarHBondContact O-N 3.45Å; G1031-L1035 VanDerWaalsContact O-N 3.1Å |
| 1032 | K | 88.4 | Confident | 88.3 | Confident | 13 Ų | 13 | 17.3 Ų | 17.3 | 6% | 0.057 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.9 | -59.6 | -179 | -48.1 | 179.9 | -63.3 | -116.7 | 0 | 112.6 | G1026 P1027 C1030 T1034 L1035 V1190 | G1026-K1032 PolarHBondContact O-NZ 3.4Å; P1027-K1032 PolarHBondContact O-NZ 2.86Å; C1030-K1032 WeakPolarHBondContact SG-CG 3.21Å; K1032-T1034 PolarHBondContact O-N 3.22Å; K1032-L1035 WeakPolarHBondContact O-CB 3.29Å; K1032-L1035 PolarHBondContact O-N 3.23Å; K1032-L1035 VanDerWaalsContact O-N 3.13Å; K1032-V1190 HydrophobicContact CB-CG1 3.75Å; K1032-V1190 HydrophobicContact CB-CG2 4.01Å; K1032-V1190 HydrophobicContact CD-CG1 4.33Å |
| 1033 | S | 88.5 | Confident | 88.3 | Confident | 32 Ų | 32 | 17.9 Ų | 17.9 | 22% | 0.224 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.2 | -28.2 | 177.6 | -49.1 | 0 | 0 | 0 | 0 | 112 | L1035 L1036 Q1037 D1160 | S1033-L1035 VanDerWaalsContact C-N 3.31Å; S1033-L1035 PolarHBondContact O-N 2.88Å; S1033-L1036 WeakPolarHBondContact O-CB 3.25Å; S1033-L1036 PolarHBondContact O-N 3.25Å; S1033-Q1037 VanDerWaalsContact O-CG 3.3Å; S1033-Q1037 WeakPolarHBondContact O-CG 3.5Å; S1033-Q1037 PolarHBondContact O-N 3.04Å; S1033-D1160 WeakPolarHBondContact CB-OD1 3.43Å; S1033-D1160 PolarHBondContact OG-OD1 3.3Å |
| 1034 | T | 90.1 | Very high | 88.1 | Confident | 8 Ų | 8 | 20 Ų | 20 | 5% | 0.049 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 174.3 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | F998 Y1000 V1008 L1009 G1031 K1032 L1036 Q1037 L1038 | F998-T1034 HydrophobicContact CD1-CG2 3.26Å; F998-T1034 HydrophobicContact CE1-CG2 3.5Å; F998-T1034 VanDerWaalsContact CE1-CG2 3.5Å; F998-T1034 HydrophobicContact CG-CG2 4.11Å; Y1000-T1034 HydrophobicContact CE2-CG2 4.24Å; Y1000-T1034 PolarHBondContact OH-OG1 3.42Å; V1008-T1034 HydrophobicContact CG1-CG2 4.36Å; L1009-T1034 HydrophobicContact CD1-CG2 4.1Å; L1009-T1034 HydrophobicContact CG-CG2 4.41Å; G1031-T1034 VanDerWaalsContact O-CB 3.3Å; G1031-T1034 WeakPolarHBondContact O-CB 3.38Å; G1031-T1034 PolarHBondContact O-N 2.83Å; K1032-T1034 PolarHBondContact O-N 3.22Å; T1034-L1036 PolarHBondContact O-N 2.94Å; T1034-Q1037 PolarHBondContact O-N 3.45Å; T1034-L1038 WeakPolarHBondContact O-CG 3.44Å; T1034-L1038 PolarHBondContact O-N 3.26Å |
| 1035 | L | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 174.5 | -71.6 | 172.5 | 0 | 0 | 0 | 112 | F993 L1009 F1012 L1024 G1031 K1032 S1033 Q1037 L1038 V1039 L1206 | F993-L1035 HydrophobicContact CD1-CD2 3.95Å; F993-L1035 HydrophobicContact CE1-CB 4.46Å; F993-L1035 HydrophobicContact CE1-CD2 3.86Å; F993-L1035 HydrophobicContact CZ-CD2 4.48Å; L1009-L1035 HydrophobicContact CD1-CD2 3.59Å; L1009-L1035 HydrophobicContact CD1-CG 4.11Å; L1009-L1035 HydrophobicContact CD2-CD2 4.3Å; L1009-L1035 HydrophobicContact CD2-CG 4.27Å; F1012-L1035 HydrophobicContact CD1-CD1 4.24Å; F1012-L1035 HydrophobicContact CD1-CD2 3.61Å; F1012-L1035 HydrophobicContact CE1-CD1 3.71Å; F1012-L1035 HydrophobicContact CE1-CD2 3.73Å; F1012-L1035 HydrophobicContact CE1-CG 4.41Å; F1012-L1035 HydrophobicContact CE2-CD1 4.06Å; F1012-L1035 HydrophobicContact CG-CD2 4.24Å; F1012-L1035 HydrophobicContact CZ-CD1 3.6Å; F1012-L1035 HydrophobicContact CZ-CD2 4.45Å; L1024-L1035 HydrophobicContact CD1-CB 4.05Å; L1024-L1035 HydrophobicContact CD1-CD1 3.87Å; L1024-L1035 HydrophobicContact CD2-CD1 4.36Å; G1031-L1035 PolarHBondContact O-N 3.45Å; G1031-L1035 VanDerWaalsContact O-N 3.1Å; K1032-L1035 WeakPolarHBondContact O-CB 3.29Å; K1032-L1035 PolarHBondContact O-N 3.23Å; K1032-L1035 VanDerWaalsContact O-N 3.13Å; S1033-L1035 VanDerWaalsContact C-N 3.31Å; S1033-L1035 PolarHBondContact O-N 2.88Å; L1035-Q1037 VanDerWaalsContact C-N 3.33Å; L1035-Q1037 PolarHBondContact O-N 3.11Å; L1035-L1038 PolarHBondContact O-N 3.26Å; L1035-V1039 WeakPolarHBondContact O-CG2 3.44Å; L1035-V1039 PolarHBondContact O-N 3.38Å; L1035-V1039 VanDerWaalsContact O-N 3.08Å; L1035-L1206 HydrophobicContact CD1-CD1 4.19Å; L1035-L1206 HydrophobicContact CD1-CD2 3.67Å |
| 1036 | L | 92 | Very high | 87.4 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.2 | -59 | -171.2 | 0 | 0 | 0 | 111.6 | L1024 S1033 T1034 L1038 V1039 L1040 V1158 D1160 L1188 V1190 | L1024-L1036 HydrophobicContact CD1-CD2 4.15Å; S1033-L1036 WeakPolarHBondContact O-CB 3.25Å; S1033-L1036 PolarHBondContact O-N 3.25Å; T1034-L1036 PolarHBondContact O-N 2.94Å; L1036-L1038 VanDerWaalsContact C-N 3.32Å; L1036-L1038 PolarHBondContact O-N 3.46Å; L1036-V1039 WeakPolarHBondContact O-CB 3.32Å; L1036-V1039 PolarHBondContact O-N 3.39Å; L1036-L1040 PolarHBondContact O-N 2.88Å; L1036-V1158 HydrophobicContact CB-CG1 3.87Å; L1036-V1158 HydrophobicContact CD1-CG1 3.74Å; L1036-V1158 HydrophobicContact CD2-CG1 3.87Å; L1036-V1158 HydrophobicContact CG-CG1 4.02Å; L1036-D1160 HydrophobicContact CD1-CB 3.6Å; L1036-L1188 HydrophobicContact CD2-CB 3.83Å; L1036-L1188 HydrophobicContact CD2-CD1 4.27Å; L1036-V1190 HydrophobicContact CD1-CB 4.03Å; L1036-V1190 HydrophobicContact CD1-CG2 3.39Å; L1036-V1190 HydrophobicContact CD2-CG2 4.14Å; L1036-V1190 HydrophobicContact CG-CG2 3.67Å |
| 1037 | Q | 91.5 | Very high | 86.9 | Confident | 23 Ų | 23 | 28 Ų | 28 | 11% | 0.107 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.9 | -32.7 | 177.8 | -68.6 | 172.6 | 1.9 | 0 | 0 | 112.9 | Y1000 S1033 T1034 L1035 R1041 F1042 Y1043 | Y1000-Q1037 PolarHBondContact OH-OE1 2.69Å; S1033-Q1037 VanDerWaalsContact O-CG 3.3Å; S1033-Q1037 WeakPolarHBondContact O-CG 3.5Å; S1033-Q1037 PolarHBondContact O-N 3.04Å; T1034-Q1037 PolarHBondContact O-N 3.45Å; L1035-Q1037 VanDerWaalsContact C-N 3.33Å; L1035-Q1037 PolarHBondContact O-N 3.11Å; Q1037-R1041 PolarHBondContact O-N 3.31Å; Q1037-F1042 HydrophobicContact CB-CB 4.48Å; Q1037-F1042 HydrophobicContact CB-CD2 4.27Å; Q1037-F1042 HydrophobicContact CG-CD2 4.15Å; Q1037-F1042 PolarHBondContact O-N 3.24Å; Q1037-Y1043 HydrophobicContact CB-CD2 3.95Å; Q1037-Y1043 HydrophobicContact CB-CE2 3.81Å; Q1037-Y1043 HydrophobicContact CG-CE2 4.3Å; Q1037-Y1043 VanDerWaalsContact OE1-CE2 3.22Å |
| 1038 | L | 92.2 | Very high | 86.3 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.4 | -37.1 | 172.5 | -71.2 | 173.8 | 0 | 0 | 0 | 111.9 | V996 F998 L1009 T1034 L1035 L1036 R1041 Y1043 P1045 V1054 | V996-L1038 HydrophobicContact CG1-CD1 3.74Å; F998-L1038 HydrophobicContact CB-CD1 4.32Å; F998-L1038 HydrophobicContact CD2-CD2 3.89Å; F998-L1038 HydrophobicContact CE2-CD2 4.15Å; F998-L1038 HydrophobicContact CG-CD1 4.4Å; F998-L1038 HydrophobicContact CG-CD2 4.43Å; L1009-L1038 HydrophobicContact CD1-CD1 3.64Å; T1034-L1038 WeakPolarHBondContact O-CG 3.44Å; T1034-L1038 PolarHBondContact O-N 3.26Å; L1035-L1038 PolarHBondContact O-N 3.26Å; L1036-L1038 VanDerWaalsContact C-N 3.32Å; L1036-L1038 PolarHBondContact O-N 3.46Å; L1038-R1041 WeakPolarHBondContact O-CA 3.46Å; L1038-R1041 PolarHBondContact O-N 2.87Å; L1038-R1041 VanDerWaalsContact O-N 3.07Å; L1038-Y1043 WeakPolarHBondContact CD2-O 3.4Å; L1038-P1045 HydrophobicContact CD2-CG 4.34Å; L1038-V1054 HydrophobicContact CB-CG2 4.34Å |
| 1039 | V | 92.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | I991 F993 L1035 L1036 R1041 V1054 F1056 I1073 L1156 V1158 L1188 | I991-V1039 HydrophobicContact CG2-CG2 4.46Å; F993-V1039 HydrophobicContact CE1-CG2 3.78Å; F993-V1039 HydrophobicContact CZ-CG2 3.41Å; F993-V1039 VanDerWaalsContact CZ-CG2 3.41Å; L1035-V1039 WeakPolarHBondContact O-CG2 3.44Å; L1035-V1039 PolarHBondContact O-N 3.38Å; L1035-V1039 VanDerWaalsContact O-N 3.08Å; L1036-V1039 WeakPolarHBondContact O-CB 3.32Å; L1036-V1039 PolarHBondContact O-N 3.39Å; V1039-R1041 PolarHBondContact O-N 2.9Å; V1039-V1054 HydrophobicContact CG2-CG1 4.41Å; V1039-F1056 HydrophobicContact CG1-CE1 3.98Å; V1039-F1056 HydrophobicContact CG1-CZ 3.79Å; V1039-I1073 HydrophobicContact CG1-CD1 4.1Å; V1039-L1156 HydrophobicContact CG1-CD2 3.71Å; V1039-V1158 HydrophobicContact CG1-CG2 4.49Å; V1039-L1188 HydrophobicContact CG1-CD1 4.35Å; V1039-L1188 HydrophobicContact CG2-CD1 4Å |
| 1040 | L | 91.2 | Very high | 85.3 | Confident | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -8.7 | 172.2 | -72.1 | 167.1 | 0 | 0 | 0 | 113.6 | L1036 F1042 R1070 I1073 L1075 | L1036-L1040 PolarHBondContact O-N 2.88Å; L1040-F1042 VanDerWaalsContact C-N 3.31Å; L1040-F1042 HydrophobicContact CB-CD1 4.08Å; L1040-F1042 HydrophobicContact CB-CD2 4.36Å; L1040-F1042 HydrophobicContact CB-CE1 4.1Å; L1040-F1042 HydrophobicContact CB-CE2 4.37Å; L1040-F1042 HydrophobicContact CB-CG 4.23Å; L1040-F1042 HydrophobicContact CB-CZ 4.25Å; L1040-F1042 HydrophobicContact CD1-CD2 4.34Å; L1040-F1042 HydrophobicContact CD1-CE2 3.79Å; L1040-F1042 HydrophobicContact CD1-CZ 3.95Å; L1040-F1042 PolarHBondContact O-N 2.81Å; L1040-R1070 PolarHBondContact O-NE 3.25Å; L1040-R1070 VanDerWaalsContact O-NE 3.15Å; L1040-I1073 HydrophobicContact CD2-CB 4.3Å; L1040-I1073 HydrophobicContact CD2-CD1 4.06Å; L1040-I1073 HydrophobicContact CD2-CG2 3.76Å; L1040-L1075 HydrophobicContact CD1-CD1 3.99Å; L1040-L1075 HydrophobicContact CD1-CD2 3.9Å; L1040-L1075 HydrophobicContact CD1-CG 4.48Å |
| 1041 | R | 91.6 | Very high | 84.9 | Confident | 14 Ų | 14 | 35.1 Ų | 35.1 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 49.1 | -175 | -155.7 | -172.5 | -178.5 | -174.9 | -13.4 | 112.2 | I975 Q1037 L1038 V1039 D1044 I1061 R1062 I1064 R1070 | I975-R1041 HydrophobicContact CG2-CG 4.48Å; Q1037-R1041 PolarHBondContact O-N 3.31Å; L1038-R1041 WeakPolarHBondContact O-CA 3.46Å; L1038-R1041 PolarHBondContact O-N 2.87Å; L1038-R1041 VanDerWaalsContact O-N 3.07Å; V1039-R1041 PolarHBondContact O-N 2.9Å; R1041-D1044 IonicContact NE-OD1 2.8Å; R1041-D1044 PolarHBondContact NE-OD1 2.72Å; R1041-I1061 HydrophobicContact CB-CG2 4.02Å; R1041-I1061 VanDerWaalsContact CD-CG2 3.48Å; R1041-I1061 HydrophobicContact CG-CG2 3.82Å; R1041-I1061 PolarHBondContact NH1-O 2.89Å; R1041-R1062 VanDerWaalsContact NH2-CA 3.33Å; R1041-R1062 PolarHBondContact NH2-O 3.48Å; R1041-I1064 PolarHBondContact NH1-O 2.91Å; R1041-R1070 PolarHBondContact O-NH2 3.47Å |
| 1042 | F | 90.9 | Very high | 84.8 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -77.9 | -28.5 | 165.5 | -71 | -12.5 | 0 | 0 | 0 | 111.6 | R211 V214 A215 V760 Q1037 L1040 | R211-F1042 HydrophobicContact CB-CE2 4.38Å; R211-F1042 WeakPolarHBondContact O-CZ 3.38Å; V214-F1042 HydrophobicContact CB-CE1 4.47Å; V214-F1042 HydrophobicContact CG1-CD1 4.32Å; V214-F1042 HydrophobicContact CG1-CE1 3.93Å; A215-F1042 HydrophobicContact CB-CZ 4.1Å; V760-F1042 HydrophobicContact CB-CB 4.05Å; V760-F1042 HydrophobicContact CB-CG 4.29Å; V760-F1042 HydrophobicContact CG2-CB 3.94Å; V760-F1042 HydrophobicContact CG2-CD1 3.7Å; V760-F1042 HydrophobicContact CG2-CD2 4.23Å; V760-F1042 HydrophobicContact CG2-CE1 4.19Å; V760-F1042 HydrophobicContact CG2-CG 3.71Å; Q1037-F1042 HydrophobicContact CB-CB 4.48Å; Q1037-F1042 HydrophobicContact CB-CD2 4.27Å; Q1037-F1042 HydrophobicContact CG-CD2 4.15Å; Q1037-F1042 PolarHBondContact O-N 3.24Å; L1040-F1042 VanDerWaalsContact C-N 3.31Å; L1040-F1042 HydrophobicContact CB-CD1 4.08Å; L1040-F1042 HydrophobicContact CB-CD2 4.36Å; L1040-F1042 HydrophobicContact CB-CE1 4.1Å; L1040-F1042 HydrophobicContact CB-CE2 4.37Å; L1040-F1042 HydrophobicContact CB-CG 4.23Å; L1040-F1042 HydrophobicContact CB-CZ 4.25Å; L1040-F1042 HydrophobicContact CD1-CD2 4.34Å; L1040-F1042 HydrophobicContact CD1-CE2 3.79Å; L1040-F1042 HydrophobicContact CD1-CZ 3.95Å; L1040-F1042 PolarHBondContact O-N 2.81Å |
| 1043 | Y | 90.7 | Very high | 84.8 | Confident | 12 Ų | 12 | 36.3 Ų | 36.3 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -136.8 | 159.6 | 175.3 | -41.6 | -88.2 | 0 | 0 | 0 | 109.5 | D764 F998 Y1000 Q1037 L1038 | D764-Y1043 VanDerWaalsContact OD2-CE1 3.31Å; D764-Y1043 WeakPolarHBondContact OD2-CE1 3.24Å; D764-Y1043 PolarHBondContact OD2-OH 2.97Å; F998-Y1043 VanDerWaalsContact CE2-CB 3.43Å; F998-Y1043 AromaticContact CE2-CG 4Å; F998-Y1043 HydrophobicContact CE2-CG 4Å; F998-Y1043 HydrophobicContact CZ-CD1 4.09Å; F998-Y1043 HydrophobicContact CZ-CD2 4.13Å; F998-Y1043 AromaticContact CZ-CG 3.7Å; F998-Y1043 HydrophobicContact CZ-CG 3.7Å; Y1000-Y1043 HydrophobicContact CD1-CE1 4.16Å; Y1000-Y1043 HydrophobicContact CE1-CD2 4.41Å; Y1000-Y1043 HydrophobicContact CE1-CE1 4.2Å; Y1000-Y1043 AromaticContact CE1-CE2 3.86Å; Y1000-Y1043 HydrophobicContact CE1-CE2 3.86Å; Y1000-Y1043 AromaticContact CE1-CZ 3.74Å; Q1037-Y1043 HydrophobicContact CB-CD2 3.95Å; Q1037-Y1043 HydrophobicContact CB-CE2 3.81Å; Q1037-Y1043 HydrophobicContact CG-CE2 4.3Å; Q1037-Y1043 VanDerWaalsContact OE1-CE2 3.22Å; L1038-Y1043 WeakPolarHBondContact CD2-O 3.4Å |
| 1044 | D | 87.9 | Confident | 84.9 | Confident | 46 Ų | 46 | 35 Ų | 35 | 25% | 0.246 | 19% | 0.189 | C | C | . | . | trans | -106.1 | 149.8 | 168.7 | -76.4 | -29.4 | 0 | 0 | 0 | 109.5 | R1041 | R1041-D1044 IonicContact NE-OD1 2.8Å; R1041-D1044 PolarHBondContact NE-OD1 2.72Å | ||
| 1045 | P | 86.1 | Confident | 85 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 7% | 0.071 | 19% | 0.189 | C | C | . | . | trans | -60.5 | 162.6 | 173.7 | -21.9 | 31.8 | 0 | 0 | 0 | 113 | V996 L1038 R1062 | V996-P1045 HydrophobicContact CG1-CB 4.16Å; V996-P1045 HydrophobicContact CG1-CG 4.08Å; L1038-P1045 HydrophobicContact CD2-CG 4.34Å; P1045-R1062 VanDerWaalsContact C-NH2 3.28Å; P1045-R1062 PolarHBondContact O-NH2 3.08Å | ||
| 1046 | L | 80.5 | Confident | 84.9 | Confident | 69 Ų | 69 | 35.4 Ų | 35.4 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -67.1 | -47.1 | -178.3 | -80.1 | 163.3 | 0 | 0 | 0 | 113.6 | D997 K999 | D997-L1046 HydrophobicContact CB-CB 4.42Å; D997-L1046 HydrophobicContact CB-CD1 4.38Å; D997-L1046 PolarHBondContact O-N 3.29Å; K999-L1046 HydrophobicContact CB-CD1 3.79Å; K999-L1046 HydrophobicContact CB-CD2 4.28Å; K999-L1046 HydrophobicContact CB-CG 4.29Å |
| 1047 | Y | 73.6 | Confident | 84.7 | Confident | 105 Ų | 105 | 37.2 Ų | 37.2 | 41% | 0.412 | 20% | 0.2 | S | C | . | . | trans | -93.6 | 140.5 | -175.6 | -61.8 | -64.2 | 0 | 0 | 0 | 111.9 | D997 R1062 | D997-Y1047 HydrophobicContact CB-CD2 3.64Å; D997-Y1047 HydrophobicContact CB-CE2 3.71Å; D997-Y1047 WeakPolarHBondContact OD2-CD2 3.37Å; D997-Y1047 WeakPolarHBondContact OD2-CE2 3.43Å; Y1047-R1062 PolarHBondContact O-NH1 3.45Å; Y1047-R1062 PolarHBondContact O-NH2 3.27Å | ||
| 1048 | H | 68.8 | Low | 84.4 | Confident | 143 Ų | 143 | 40.6 Ų | 40.6 | 66% | 0.662 | 22% | 0.219 | S | C | * | . | trans | -107.7 | 29.4 | -172.4 | -61.7 | -70 | 0 | 0 | 0 | 114.6 | R1062 | H1048-R1062 PolarHBondContact ND1-NH1 2.81Å; H1048-R1062 PolarHBondContact ND1-NH2 3.34Å | ||
| 1049 | G | 67.7 | Low | 84.2 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 33% | 0.33 | 23% | 0.234 | S | C | . | . | trans | -66.8 | 152.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1051 N1052 | G1049-D1051 PolarHBondContact O-N 3.42Å; G1049-N1052 PolarHBondContact O-N 2.85Å; G1049-N1052 VanDerWaalsContact O-N 3.12Å; G1049-N1052 VanDerWaalsContact O-O 3.13Å | ||
| 1050 | S | 67.8 | Low | 84 | Confident | 104 Ų | 104 | 44.4 Ų | 44.4 | 73% | 0.727 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -35 | 176.4 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | F1055 | S1050-F1055 WeakPolarHBondContact O-CZ 3.38Š|
| 1051 | D | 74.8 | Confident | 83.8 | Confident | 103 Ų | 103 | 44.3 Ų | 44.3 | 55% | 0.551 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -0 | 179.1 | -70 | -44.6 | 0 | 0 | 0 | 114 | K994 G1049 | K994-D1051 WeakPolarHBondContact CB-O 3.34Å; G1049-D1051 PolarHBondContact O-N 3.42Å |
| 1052 | N | 83 | Confident | 83.6 | Confident | 40 Ų | 40 | 45.3 Ų | 45.3 | 21% | 0.214 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -110.2 | 122.7 | -176.6 | -62.6 | -5.7 | 0 | 0 | 0 | 110.7 | K994 N995 G1049 R1062 | K994-N1052 CarbonylContact O-C 3.57Å; K994-N1052 WeakPolarHBondContact O-CA 3.18Å; N995-N1052 WeakPolarHBondContact CB-OD1 3.28Å; N995-N1052 PolarHBondContact ND2-OD1 2.87Å; G1049-N1052 PolarHBondContact O-N 2.85Å; G1049-N1052 VanDerWaalsContact O-N 3.12Å; G1049-N1052 VanDerWaalsContact O-O 3.13Å; N1052-R1062 PolarHBondContact O-NH1 3.13Å |
| 1053 | G | 87.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.4 | -160.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K994 V996 | K994-G1053 PolarHBondContact N-O 3.25Å; K994-G1053 PolarHBondContact O-N 2.95Å; V996-G1053 WeakPolarHBondContact CG2-O 3.48Å |
| 1054 | V | 91 | Very high | 83.3 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.5 | 177.8 | -167.5 | 0 | 0 | 0 | 0 | 108.3 | I991 S992 F993 V996 L1038 V1039 N1060 I1061 | I991-V1054 HydrophobicContact CG2-CG1 4.16Å; S992-V1054 CarbonylContact O-C 3.59Å; S992-V1054 WeakPolarHBondContact O-CA 3.31Å; F993-V1054 HydrophobicContact CD1-CB 4.44Å; F993-V1054 HydrophobicContact CD1-CG1 3.98Å; F993-V1054 HydrophobicContact CD1-CG2 3.76Å; F993-V1054 HydrophobicContact CE1-CG1 3.88Å; F993-V1054 HydrophobicContact CE1-CG2 4Å; F993-V1054 HydrophobicContact CZ-CG1 4.46Å; V996-V1054 HydrophobicContact CG2-CG2 4.29Å; L1038-V1054 HydrophobicContact CB-CG2 4.34Å; V1039-V1054 HydrophobicContact CG2-CG1 4.41Å; V1054-N1060 PolarHBondContact O-OD1 3.5Å; V1054-I1061 HydrophobicContact CB-CD1 3.74Å; V1054-I1061 HydrophobicContact CB-CG1 4.37Å; V1054-I1061 HydrophobicContact CG1-CD1 3.43Å; V1054-I1061 VanDerWaalsContact CG1-CD1 3.43Å; V1054-I1061 HydrophobicContact CG1-CG1 4.37Å; V1054-I1061 WeakPolarHBondContact O-CB 3.2Å; V1054-I1061 WeakPolarHBondContact O-CG1 3.36Å; V1054-I1061 PolarHBondContact O-N 2.87Å |
| 1055 | F | 91.5 | Very high | 83.3 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 6% | 0.057 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.1 | -174.4 | -62.2 | -104.1 | 0 | 0 | 0 | 110.5 | I991 S992 K994 S1050 I1059 N1060 | I991-F1055 CarbonylContact C-O 3.6Å; I991-F1055 WeakPolarHBondContact CA-O 3.29Å; S992-F1055 PolarHBondContact N-O 3.41Å; S992-F1055 PolarHBondContact O-N 3.33Å; K994-F1055 HydrophobicContact CB-CE2 4.05Å; K994-F1055 HydrophobicContact CD-CD2 4.09Å; K994-F1055 HydrophobicContact CD-CE2 3.72Å; K994-F1055 HydrophobicContact CD-CZ 4.26Å; K994-F1055 HydrophobicContact CG-CD2 4.17Å; K994-F1055 HydrophobicContact CG-CE2 4.03Å; S1050-F1055 WeakPolarHBondContact O-CZ 3.38Å; F1055-I1059 CarbonylContact C-O 3.59Å; F1055-I1059 VanDerWaalsContact CA-O 3.24Å; F1055-I1059 WeakPolarHBondContact CA-O 3.45Å; F1055-N1060 HydrophobicContact CD1-CB 3.89Å; F1055-N1060 HydrophobicContact CE1-CB 3.69Å; F1055-N1060 HydrophobicContact CZ-CB 4.27Å |
| 1056 | F | 90.3 | Very high | 83.5 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.7 | 171 | -86.9 | 22 | 0 | 0 | 0 | 108.3 | F987 K990 I991 V1039 D1058 I1059 I1061 I1064 V1069 I1073 L1156 | F987-F1056 HydrophobicContact CD2-CB 4.24Å; F987-F1056 HydrophobicContact CD2-CD2 4.18Å; F987-F1056 HydrophobicContact CD2-CG 4.47Å; F987-F1056 HydrophobicContact CE1-CD2 4.17Å; F987-F1056 HydrophobicContact CE1-CE2 4.16Å; F987-F1056 HydrophobicContact CE2-CB 3.6Å; F987-F1056 HydrophobicContact CE2-CD1 4.4Å; F987-F1056 AromaticContact CE2-CD2 3.65Å; F987-F1056 HydrophobicContact CE2-CD2 3.65Å; F987-F1056 HydrophobicContact CE2-CE2 4.4Å; F987-F1056 AromaticContact CE2-CG 3.65Å; F987-F1056 HydrophobicContact CE2-CG 3.65Å; F987-F1056 HydrophobicContact CZ-CB 4.27Å; F987-F1056 HydrophobicContact CZ-CD1 4.24Å; F987-F1056 AromaticContact CZ-CD2 3.62Å; F987-F1056 HydrophobicContact CZ-CD2 3.62Å; F987-F1056 AromaticContact CZ-CE2 3.92Å; F987-F1056 HydrophobicContact CZ-CE2 3.92Å; F987-F1056 AromaticContact CZ-CG 3.8Å; F987-F1056 HydrophobicContact CZ-CG 3.8Å; F987-F1056 HydrophobicContact CZ-CZ 4.37Å; K990-F1056 WeakPolarHBondContact O-CA 3.43Å; I991-F1056 HydrophobicContact CD1-CE1 4.46Å; I991-F1056 HydrophobicContact CG1-CD1 4.28Å; I991-F1056 HydrophobicContact CG1-CE1 4.01Å; I991-F1056 HydrophobicContact CG2-CD1 4.38Å; I991-F1056 HydrophobicContact CG2-CE1 4.15Å; V1039-F1056 HydrophobicContact CG1-CE1 3.98Å; V1039-F1056 HydrophobicContact CG1-CZ 3.79Å; F1056-D1058 PolarHBondContact O-N 3.32Å; F1056-I1059 PolarHBondContact N-O 2.74Å; F1056-I1059 WeakPolarHBondContact O-CB 3.49Å; F1056-I1059 PolarHBondContact O-N 2.76Å; F1056-I1061 HydrophobicContact CB-CG1 4.33Å; F1056-I1061 HydrophobicContact CD1-CD1 3.37Å; F1056-I1061 HydrophobicContact CD1-CG1 3.65Å; F1056-I1061 HydrophobicContact CE1-CD1 3.3Å; F1056-I1061 HydrophobicContact CE1-CG1 4.09Å; F1056-I1061 HydrophobicContact CG-CD1 4.08Å; F1056-I1061 HydrophobicContact CG-CG1 3.93Å; F1056-I1061 HydrophobicContact CZ-CD1 3.95Å; F1056-I1064 HydrophobicContact CB-CD1 4.17Å; F1056-V1069 HydrophobicContact CD2-CG1 4.44Å; F1056-V1069 HydrophobicContact CE2-CG1 3.73Å; F1056-V1069 HydrophobicContact CZ-CG1 4.12Å; F1056-I1073 HydrophobicContact CE2-CD1 4.35Å; F1056-I1073 HydrophobicContact CZ-CD1 4.11Å; F1056-L1156 HydrophobicContact CZ-CD2 3.94Å |
| 1057 | D | 88 | Confident | 83.8 | Confident | 41 Ų | 41 | 44.8 Ų | 44.8 | 22% | 0.219 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45 | 46.6 | -174.5 | -63.4 | -24.4 | 0 | 0 | 0 | 112.7 | F987 K988 K990 I1059 | F987-D1057 WeakPolarHBondContact CA-OD2 3.32Å; F987-D1057 WeakPolarHBondContact CD2-OD2 3.27Å; K988-D1057 PolarHBondContact N-OD2 2.91Å; K990-D1057 VanDerWaalsContact CB-OD1 3.24Å; K990-D1057 WeakPolarHBondContact CB-OD1 3.31Å; K990-D1057 PolarHBondContact N-OD1 3.47Å; K990-D1057 PolarHBondContact O-N 3.3Å; D1057-I1059 PolarHBondContact O-N 3.14Å |
| 1058 | D | 85.3 | Confident | 84.6 | Confident | 94 Ų | 94 | 41.4 Ų | 41.4 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 4 | -179.6 | -54.2 | -52.3 | 0 | 0 | 0 | 116.1 | K990 F1056 | K990-D1058 IonicContact NZ-OD1 2.8Å; K990-D1058 PolarHBondContact NZ-OD1 2.88Å; K990-D1058 IonicContact NZ-OD2 3.29Å; K990-D1058 PolarHBondContact NZ-OD2 3.21Å; F1056-D1058 PolarHBondContact O-N 3.32Å |
| 1059 | I | 87.4 | Confident | 85.6 | Confident | 66 Ų | 66 | 34.6 Ų | 34.6 | 34% | 0.338 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.9 | 171.5 | -54.4 | 174 | 0 | 0 | 0 | 109.7 | P983 F1055 F1056 D1057 I1061 I1064 | P983-I1059 HydrophobicContact CG-CD1 4.32Å; F1055-I1059 CarbonylContact C-O 3.59Å; F1055-I1059 VanDerWaalsContact CA-O 3.24Å; F1055-I1059 WeakPolarHBondContact CA-O 3.45Å; F1056-I1059 PolarHBondContact N-O 2.74Å; F1056-I1059 WeakPolarHBondContact O-CB 3.49Å; F1056-I1059 PolarHBondContact O-N 2.76Å; D1057-I1059 PolarHBondContact O-N 3.14Å; I1059-I1061 PolarHBondContact O-N 3.3Å; I1059-I1064 HydrophobicContact CB-CD1 4.07Å; I1059-I1064 HydrophobicContact CB-CG1 4.48Å; I1059-I1064 HydrophobicContact CG2-CD1 3.82Å; I1059-I1064 HydrophobicContact CG2-CG1 3.68Å |
| 1060 | N | 88 | Confident | 86.7 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 125.8 | 176.9 | -166.2 | -44.8 | 0 | 0 | 0 | 110.2 | V1054 F1055 R1062 N1063 | V1054-N1060 PolarHBondContact O-OD1 3.5Å; F1055-N1060 HydrophobicContact CD1-CB 3.89Å; F1055-N1060 HydrophobicContact CE1-CB 3.69Å; F1055-N1060 HydrophobicContact CZ-CB 4.27Å; N1060-R1062 PolarHBondContact O-N 3.01Å; N1060-R1062 WeakPolarHBondContact OD1-CB 3.48Å; N1060-R1062 PolarHBondContact OD1-N 3.41Å; N1060-N1063 PolarHBondContact O-N 2.94Å |
| 1061 | I | 88.6 | Confident | 87.8 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -54.4 | -31 | -178.1 | -70.6 | -179.9 | 0 | 0 | 0 | 111.4 | R1041 V1054 F1056 I1059 N1063 I1064 V1069 | R1041-I1061 HydrophobicContact CB-CG2 4.02Å; R1041-I1061 VanDerWaalsContact CD-CG2 3.48Å; R1041-I1061 HydrophobicContact CG-CG2 3.82Å; R1041-I1061 PolarHBondContact NH1-O 2.89Å; V1054-I1061 HydrophobicContact CB-CD1 3.74Å; V1054-I1061 HydrophobicContact CB-CG1 4.37Å; V1054-I1061 HydrophobicContact CG1-CD1 3.43Å; V1054-I1061 VanDerWaalsContact CG1-CD1 3.43Å; V1054-I1061 HydrophobicContact CG1-CG1 4.37Å; V1054-I1061 WeakPolarHBondContact O-CB 3.2Å; V1054-I1061 WeakPolarHBondContact O-CG1 3.36Å; V1054-I1061 PolarHBondContact O-N 2.87Å; F1056-I1061 HydrophobicContact CB-CG1 4.33Å; F1056-I1061 HydrophobicContact CD1-CD1 3.37Å; F1056-I1061 HydrophobicContact CD1-CG1 3.65Å; F1056-I1061 HydrophobicContact CE1-CD1 3.3Å; F1056-I1061 HydrophobicContact CE1-CG1 4.09Å; F1056-I1061 HydrophobicContact CG-CD1 4.08Å; F1056-I1061 HydrophobicContact CG-CG1 3.93Å; F1056-I1061 HydrophobicContact CZ-CD1 3.95Å; I1059-I1061 PolarHBondContact O-N 3.3Å; I1061-N1063 PolarHBondContact O-N 3.29Å; I1061-I1064 PolarHBondContact O-N 3.41Å; I1061-I1064 VanDerWaalsContact O-N 3.12Å; I1061-V1069 HydrophobicContact CG2-CG2 4.32Å |
| 1062 | R | 85.7 | Confident | 88.5 | Confident | 35 Ų | 35 | 31.6 Ų | 31.6 | 13% | 0.132 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -57.8 | -31 | 177.3 | -70.9 | -175.1 | 177.5 | 140.1 | -8.4 | 113.7 | R1041 P1045 Y1047 H1048 N1052 N1060 | R1041-R1062 VanDerWaalsContact NH2-CA 3.33Å; R1041-R1062 PolarHBondContact NH2-O 3.48Å; P1045-R1062 VanDerWaalsContact C-NH2 3.28Å; P1045-R1062 PolarHBondContact O-NH2 3.08Å; Y1047-R1062 PolarHBondContact O-NH1 3.45Å; Y1047-R1062 PolarHBondContact O-NH2 3.27Å; H1048-R1062 PolarHBondContact ND1-NH1 2.81Å; H1048-R1062 PolarHBondContact ND1-NH2 3.34Å; N1052-R1062 PolarHBondContact O-NH1 3.13Å; N1060-R1062 PolarHBondContact O-N 3.01Å; N1060-R1062 WeakPolarHBondContact OD1-CB 3.48Å; N1060-R1062 PolarHBondContact OD1-N 3.41Å |
| 1063 | N | 86.7 | Confident | 88.9 | Confident | 95 Ų | 95 | 29.8 Ų | 29.8 | 51% | 0.508 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -87.5 | -15.8 | -178.5 | -64.8 | -16.7 | 0 | 0 | 0 | 112.8 | G980 I981 N1060 I1061 | G980-N1063 CarbonylContact C-O 3.53Å; G980-N1063 WeakPolarHBondContact CA-O 3.47Å; I981-N1063 HydrophobicContact CD1-CB 4.31Å; I981-N1063 PolarHBondContact N-O 2.89Å; N1060-N1063 PolarHBondContact O-N 2.94Å; I1061-N1063 PolarHBondContact O-N 3.29Å |
| 1064 | I | 88.5 | Confident | 89.2 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -83.4 | 158.2 | -179.2 | -56.2 | 178 | 0 | 0 | 0 | 109.2 | I981 P983 R1041 F1056 I1059 I1061 W1068 V1069 | I981-I1064 CarbonylContact O-C 3.58Å; I981-I1064 VanDerWaalsContact O-CA 3.28Å; I981-I1064 WeakPolarHBondContact O-CA 3.41Å; I981-I1064 WeakPolarHBondContact O-CG2 3.29Å; P983-I1064 HydrophobicContact CG-CG2 4.45Å; R1041-I1064 PolarHBondContact NH1-O 2.91Å; F1056-I1064 HydrophobicContact CB-CD1 4.17Å; I1059-I1064 HydrophobicContact CB-CD1 4.07Å; I1059-I1064 HydrophobicContact CB-CG1 4.48Å; I1059-I1064 HydrophobicContact CG2-CD1 3.82Å; I1059-I1064 HydrophobicContact CG2-CG1 3.68Å; I1061-I1064 PolarHBondContact O-N 3.41Å; I1061-I1064 VanDerWaalsContact O-N 3.12Å; I1064-W1068 HydrophobicContact CD1-CZ3 4.35Å; I1064-W1068 HydrophobicContact CG2-CD2 4.27Å; I1064-W1068 HydrophobicContact CG2-CE3 3.49Å; I1064-W1068 VanDerWaalsContact CG2-CE3 3.49Å; I1064-W1068 HydrophobicContact CG2-CZ3 4.03Å; I1064-V1069 HydrophobicContact CB-CG2 4.02Å; I1064-V1069 HydrophobicContact CG2-CG2 3.59Å |
| 1065 | A | 89.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -74.3 | 128.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I981 V982 S1067 W1068 V1069 | I981-A1065 PolarHBondContact O-N 3.27Å; V982-A1065 HydrophobicContact CG2-CB 4.03Å; A1065-S1067 PolarHBondContact O-N 3.03Å; A1065-S1067 VanDerWaalsContact O-N 3.17Å; A1065-W1068 PolarHBondContact O-N 3.36Å; A1065-V1069 PolarHBondContact O-N 2.9Å | ||
| 1066 | P | 89.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.8 | -35 | 178 | -22.7 | 28.2 | 0 | 0 | 0 | 113.7 | I975 S976 T977 W1068 V1069 R1070 | I975-P1066 HydrophobicContact CG2-CG 3.79Å; S976-P1066 WeakPolarHBondContact O-CD 3.09Å; S976-P1066 WeakPolarHBondContact O-CG 3.23Å; T977-P1066 WeakPolarHBondContact O-CD 3.46Å; P1066-W1068 VanDerWaalsContact C-N 3.29Å; P1066-W1068 PolarHBondContact O-N 3.48Å; P1066-V1069 PolarHBondContact O-N 2.99Å; P1066-R1070 WeakPolarHBondContact O-CG 3.45Å; P1066-R1070 PolarHBondContact O-N 3.05Å |
| 1067 | S | 87.6 | Confident | 89.2 | Confident | 38 Ų | 38 | 31.1 Ų | 31.1 | 27% | 0.266 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.6 | -30.9 | 177.2 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | T977 N978 A1065 K1071 | T977-S1067 WeakPolarHBondContact O-CB 3.38Å; T977-S1067 PolarHBondContact O-N 3.29Å; T977-S1067 PolarHBondContact O-OG 3.24Å; N978-S1067 WeakPolarHBondContact OD1-CB 3.34Å; N978-S1067 PolarHBondContact OD1-OG 3.17Å; A1065-S1067 PolarHBondContact O-N 3.03Å; A1065-S1067 VanDerWaalsContact O-N 3.17Å; S1067-K1071 VanDerWaalsContact O-CG 3.25Å; S1067-K1071 WeakPolarHBondContact O-CG 3.23Å |
| 1068 | W | 90.2 | Very high | 89 | Confident | 34 Ų | 34 | 33.4 Ų | 33.4 | 13% | 0.129 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -76.1 | -43.7 | 172.9 | -177.8 | 93.5 | 0 | 0 | 0 | 111.3 | V982 P983 F987 I1064 A1065 P1066 R1070 K1071 Q1072 | V982-W1068 HydrophobicContact CG1-CB 4.39Å; V982-W1068 HydrophobicContact CG1-CG 4.11Å; P983-W1068 HydrophobicContact CB-CH2 4.13Å; P983-W1068 HydrophobicContact CB-CZ2 3.88Å; P983-W1068 HydrophobicContact CG-CD2 4.5Å; P983-W1068 HydrophobicContact CG-CE3 4.41Å; P983-W1068 HydrophobicContact CG-CH2 3.88Å; P983-W1068 HydrophobicContact CG-CZ2 3.97Å; P983-W1068 HydrophobicContact CG-CZ3 4.12Å; F987-W1068 HydrophobicContact CB-CH2 3.9Å; F987-W1068 HydrophobicContact CB-CZ2 4.34Å; F987-W1068 HydrophobicContact CG-CH2 4.43Å; I1064-W1068 HydrophobicContact CD1-CZ3 4.35Å; I1064-W1068 HydrophobicContact CG2-CD2 4.27Å; I1064-W1068 HydrophobicContact CG2-CE3 3.49Å; I1064-W1068 VanDerWaalsContact CG2-CE3 3.49Å; I1064-W1068 HydrophobicContact CG2-CZ3 4.03Å; A1065-W1068 PolarHBondContact O-N 3.36Å; P1066-W1068 VanDerWaalsContact C-N 3.29Å; P1066-W1068 PolarHBondContact O-N 3.48Å; W1068-R1070 PolarHBondContact O-N 3.3Å; W1068-K1071 PolarHBondContact O-N 3.19Å; W1068-Q1072 HydrophobicContact CD2-CG 4.48Å; W1068-Q1072 HydrophobicContact CE3-CG 4.42Å; W1068-Q1072 HydrophobicContact CH2-CG 4.38Å; W1068-Q1072 HydrophobicContact CZ2-CG 4.41Å; W1068-Q1072 HydrophobicContact CZ3-CG 4.38Å |
| 1069 | V | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.8 | -52.8 | 178.3 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | F1056 I1061 I1064 A1065 P1066 K1071 Q1072 I1073 | F1056-V1069 HydrophobicContact CD2-CG1 4.44Å; F1056-V1069 HydrophobicContact CE2-CG1 3.73Å; F1056-V1069 HydrophobicContact CZ-CG1 4.12Å; I1061-V1069 HydrophobicContact CG2-CG2 4.32Å; I1064-V1069 HydrophobicContact CB-CG2 4.02Å; I1064-V1069 HydrophobicContact CG2-CG2 3.59Å; A1065-V1069 PolarHBondContact O-N 2.9Å; P1066-V1069 PolarHBondContact O-N 2.99Å; V1069-K1071 VanDerWaalsContact C-N 3.29Å; V1069-K1071 PolarHBondContact O-N 3.49Å; V1069-Q1072 PolarHBondContact O-N 2.89Å; V1069-Q1072 VanDerWaalsContact O-N 3.14Å; V1069-I1073 HydrophobicContact CG1-CD1 3.95Å; V1069-I1073 WeakPolarHBondContact O-CG1 3.28Å |
| 1070 | R | 91.2 | Very high | 88.7 | Confident | 17 Ų | 17 | 34.4 Ų | 34.4 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.6 | -28.4 | -175.8 | -65.3 | 176.2 | -164.4 | 150.2 | 0 | 113.2 | V214 L1040 R1041 P1066 W1068 Q1072 I1073 R1152 | V214-R1070 VanDerWaalsContact CG1-CZ 3.41Å; V214-R1070 WeakPolarHBondContact O-CD 3.36Å; L1040-R1070 PolarHBondContact O-NE 3.25Å; L1040-R1070 VanDerWaalsContact O-NE 3.15Å; R1041-R1070 PolarHBondContact O-NH2 3.47Å; P1066-R1070 WeakPolarHBondContact O-CG 3.45Å; P1066-R1070 PolarHBondContact O-N 3.05Å; W1068-R1070 PolarHBondContact O-N 3.3Å; R1070-Q1072 VanDerWaalsContact C-N 3.27Å; R1070-Q1072 PolarHBondContact O-N 3.3Å; R1070-I1073 PolarHBondContact O-N 3.15Å; R1070-R1152 PolarHBondContact O-NH1 2.93Å |
| 1071 | K | 89.4 | Confident | 88.6 | Confident | 114 Ų | 114 | 36.2 Ų | 36.2 | 50% | 0.496 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.5 | -29.5 | 174.7 | -80.1 | 176.1 | 179.9 | -170.1 | 0 | 113.2 | S1067 W1068 V1069 I1073 | S1067-K1071 VanDerWaalsContact O-CG 3.25Å; S1067-K1071 WeakPolarHBondContact O-CG 3.23Å; W1068-K1071 PolarHBondContact O-N 3.19Å; V1069-K1071 VanDerWaalsContact C-N 3.29Å; V1069-K1071 PolarHBondContact O-N 3.49Å; K1071-I1073 VanDerWaalsContact C-N 3.27Å |
| 1072 | Q | 90.4 | Very high | 88.6 | Confident | 46 Ų | 46 | 37.3 Ų | 37.3 | 22% | 0.215 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -10.9 | 179.1 | -53.6 | -53.7 | -36.5 | 0 | 0 | 113.1 | F987 W1068 V1069 R1070 V1155 L1156 | F987-Q1072 HydrophobicContact CB-CG 4.19Å; F987-Q1072 HydrophobicContact CD1-CB 4Å; F987-Q1072 HydrophobicContact CD1-CG 4.37Å; W1068-Q1072 HydrophobicContact CD2-CG 4.48Å; W1068-Q1072 HydrophobicContact CE3-CG 4.42Å; W1068-Q1072 HydrophobicContact CH2-CG 4.38Å; W1068-Q1072 HydrophobicContact CZ2-CG 4.41Å; W1068-Q1072 HydrophobicContact CZ3-CG 4.38Å; V1069-Q1072 PolarHBondContact O-N 2.89Å; V1069-Q1072 VanDerWaalsContact O-N 3.14Å; R1070-Q1072 VanDerWaalsContact C-N 3.27Å; R1070-Q1072 PolarHBondContact O-N 3.3Å; Q1072-V1155 PolarHBondContact O-N 2.98Å; Q1072-V1155 VanDerWaalsContact O-N 3.17Å; Q1072-L1156 PolarHBondContact O-N 3.44Å |
| 1073 | I | 92 | Very high | 88.6 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.3 | -170.9 | -56 | 172.5 | 0 | 0 | 0 | 110.4 | V1039 L1040 F1056 V1069 R1070 K1071 R1152 L1156 V1158 | V1039-I1073 HydrophobicContact CG1-CD1 4.1Å; L1040-I1073 HydrophobicContact CD2-CB 4.3Å; L1040-I1073 HydrophobicContact CD2-CD1 4.06Å; L1040-I1073 HydrophobicContact CD2-CG2 3.76Å; F1056-I1073 HydrophobicContact CE2-CD1 4.35Å; F1056-I1073 HydrophobicContact CZ-CD1 4.11Å; V1069-I1073 HydrophobicContact CG1-CD1 3.95Å; V1069-I1073 WeakPolarHBondContact O-CG1 3.28Å; R1070-I1073 PolarHBondContact O-N 3.15Å; K1071-I1073 VanDerWaalsContact C-N 3.27Å; I1073-R1152 WeakPolarHBondContact O-CD 3.43Å; I1073-R1152 PolarHBondContact O-NH1 3.4Å; I1073-L1156 CarbonylContact C-O 3.58Å; I1073-L1156 VanDerWaalsContact CA-O 3.3Å; I1073-L1156 WeakPolarHBondContact CA-O 3.37Å; I1073-L1156 HydrophobicContact CD1-CD2 4.36Å; I1073-L1156 HydrophobicContact CG1-CB 4.43Å; I1073-L1156 HydrophobicContact CG1-CD2 4.06Å; I1073-L1156 HydrophobicContact CG1-CG 4.46Å; I1073-V1158 HydrophobicContact CG2-CB 4.08Å; I1073-V1158 HydrophobicContact CG2-CG2 3.6Å |
| 1074 | G | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 122.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | P1154 L1156 V1158 | G1074-P1154 VanDerWaalsContact N-CB 3.26Å; G1074-L1156 PolarHBondContact N-O 3.33Å; G1074-V1158 PolarHBondContact O-N 3.41Å |
| 1075 | L | 92.6 | Very high | 88.6 | Confident | 14 Ų | 14 | 36.3 Ų | 36.3 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.5 | 179.5 | 175.6 | 61.9 | 0 | 0 | 0 | 110.2 | A215 L1040 V1158 | A215-L1075 HydrophobicContact CB-CD2 3.71Å; L1040-L1075 HydrophobicContact CD1-CD1 3.99Å; L1040-L1075 HydrophobicContact CD1-CD2 3.9Å; L1040-L1075 HydrophobicContact CD1-CG 4.48Å; L1075-V1158 HydrophobicContact CD1-CB 4.3Å; L1075-V1158 HydrophobicContact CD1-CG1 3.88Å |
| 1076 | V | 91.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 111.1 | 165.6 | -174.7 | 0 | 0 | 0 | 0 | 107.6 | I1146 A1149 V1158 L1159 D1160 A1162 | V1076-I1146 HydrophobicContact CG1-CG1 4.14Å; V1076-I1146 HydrophobicContact CG2-CG1 4.09Å; V1076-A1149 HydrophobicContact CG2-CB 3.98Å; V1076-V1158 PolarHBondContact N-O 3.48Å; V1076-L1159 HydrophobicContact CB-CD2 3.66Å; V1076-L1159 HydrophobicContact CG2-CD2 3.68Å; V1076-D1160 PolarHBondContact O-N 3.25Å; V1076-A1162 HydrophobicContact CG1-CB 3.87Å |
| 1077 | S | 88.5 | Confident | 88.8 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 25% | 0.245 | 19% | 0.188 | C | C | . | . | trans | -86.5 | 165.9 | -178.2 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | Q1142 D1160 | S1077-Q1142 PolarHBondContact O-NE2 2.82Å; S1077-D1160 CarbonylContact C-O 3.55Å | ||
| 1078 | Q | 84.6 | Confident | 89.1 | Confident | 89 Ų | 89 | 39.9 Ų | 39.9 | 42% | 0.416 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -54.8 | -55.4 | 174.9 | -168.4 | 173.6 | 18.5 | 0 | 0 | 112.4 | D1160 E1161 S1164 | Q1078-D1160 VanDerWaalsContact CA-O 3.28Å; Q1078-D1160 WeakPolarHBondContact CA-O 3.38Å; Q1078-D1160 PolarHBondContact N-O 3.04Å; Q1078-E1161 HydrophobicContact CB-CB 4.33Å; Q1078-E1161 HydrophobicContact CG-CB 4.02Å; Q1078-E1161 PolarHBondContact NE2-OE2 3.18Å; Q1078-S1164 WeakPolarHBondContact CG-OG 3.46Å; Q1078-S1164 PolarHBondContact NE2-OG 3.45Å |
| 1079 | E | 82.4 | Confident | 89.2 | Confident | 157 Ų | 157 | 41.9 Ų | 41.9 | 73% | 0.734 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -111.3 | 108.7 | 173.4 | -68.1 | -170.1 | 165.8 | 0 | 0 | 109.8 | T1081 | E1079-T1081 PolarHBondContact O-N 3Š|
| 1080 | P | 84.4 | Confident | 89.3 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 16% | 0.156 | 20% | 0.204 | C | C | . | . | trans | -76.5 | 115 | -175.4 | 31.5 | -36.3 | 0 | 0 | 0 | 110.8 | L1082 K1141 A1145 | P1080-L1082 PolarHBondContact O-N 3.28Å; P1080-K1141 HydrophobicContact CG-CB 3.67Å; P1080-A1145 HydrophobicContact CB-CB 3.53Å | ||
| 1081 | T | 85.3 | Confident | 89.4 | Confident | 55 Ų | 55 | 41.1 Ų | 41.1 | 34% | 0.337 | 20% | 0.201 | S | C | . | . | trans | -77.5 | 114.9 | 174.3 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | T212 E1079 R1148 | T212-T1081 WeakPolarHBondContact CB-OG1 3.48Å; T212-T1081 PolarHBondContact OG1-OG1 2.98Å; E1079-T1081 PolarHBondContact O-N 3Å; T1081-R1148 PolarHBondContact O-NH1 2.89Å; T1081-R1148 PolarHBondContact O-NH2 3.29Å | ||
| 1082 | L | 88.1 | Confident | 89.7 | Confident | 27 Ų | 27 | 36.6 Ų | 36.6 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | trans | -94.9 | 132.5 | 168.8 | -54.3 | -175.6 | 0 | 0 | 0 | 109.2 | P1080 N1090 V1129 L1136 K1141 I1144 | P1080-L1082 PolarHBondContact O-N 3.28Å; L1082-N1090 WeakPolarHBondContact CA-OD1 3.22Å; L1082-V1129 HydrophobicContact CB-CG2 4.48Å; L1082-V1129 HydrophobicContact CD1-CB 4.24Å; L1082-V1129 HydrophobicContact CD1-CG2 4.14Å; L1082-L1136 HydrophobicContact CD1-CD1 3.96Å; L1082-K1141 HydrophobicContact CD1-CB 4.27Å; L1082-K1141 HydrophobicContact CD1-CG 3.96Å; L1082-I1144 HydrophobicContact CD1-CD1 4.19Å; L1082-I1144 HydrophobicContact CD2-CB 4.29Å; L1082-I1144 HydrophobicContact CD2-CG2 3.74Å | ||
| 1083 | F | 87.3 | Confident | 89.8 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | trans | -76.3 | 154.6 | 174.5 | -60.8 | -77.4 | 0 | 0 | 0 | 109.8 | E205 A209 T212 V213 L1085 N1090 Y1093 | E205-F1083 HydrophobicContact CG-CD1 4.29Å; E205-F1083 WeakPolarHBondContact OE1-CA 3.35Å; E205-F1083 VanDerWaalsContact OE1-CB 3.3Å; E205-F1083 WeakPolarHBondContact OE1-CB 3.12Å; A209-F1083 HydrophobicContact CB-CE1 3.74Å; A209-F1083 HydrophobicContact CB-CZ 4.25Å; T212-F1083 HydrophobicContact CG2-CE2 4.15Å; T212-F1083 HydrophobicContact CG2-CZ 4.11Å; V213-F1083 HydrophobicContact CG2-CE1 3.79Å; V213-F1083 HydrophobicContact CG2-CZ 3.7Å; F1083-L1085 HydrophobicContact CB-CB 4.45Å; F1083-L1085 HydrophobicContact CB-CD1 3.84Å; F1083-L1085 HydrophobicContact CB-CG 3.92Å; F1083-L1085 PolarHBondContact O-N 3.41Å; F1083-N1090 PolarHBondContact N-OD1 2.81Å; F1083-N1090 PolarHBondContact O-ND2 3.46Å; F1083-Y1093 HydrophobicContact CD2-CD1 4.33Å; F1083-Y1093 HydrophobicContact CD2-CD2 4.17Å; F1083-Y1093 HydrophobicContact CD2-CE1 4.4Å; F1083-Y1093 HydrophobicContact CD2-CE2 4.24Å; F1083-Y1093 HydrophobicContact CD2-CG 4.21Å; F1083-Y1093 AromaticContact CE2-CD1 3.61Å; F1083-Y1093 HydrophobicContact CE2-CD1 3.61Å; F1083-Y1093 HydrophobicContact CE2-CD2 4.12Å; F1083-Y1093 AromaticContact CE2-CE1 3.44Å; F1083-Y1093 HydrophobicContact CE2-CE1 3.44Å; F1083-Y1093 VanDerWaalsContact CE2-CE1 3.44Å; F1083-Y1093 AromaticContact CE2-CE2 3.98Å; F1083-Y1093 HydrophobicContact CE2-CE2 3.98Å; F1083-Y1093 AromaticContact CE2-CG 3.94Å; F1083-Y1093 HydrophobicContact CE2-CG 3.94Å; F1083-Y1093 AromaticContact CE2-CZ 3.63Å; F1083-Y1093 HydrophobicContact CZ-CD1 4.37Å; F1083-Y1093 AromaticContact CZ-CE1 3.75Å; F1083-Y1093 HydrophobicContact CZ-CE1 3.75Å; F1083-Y1093 HydrophobicContact CZ-CE2 4.38Å; F1083-Y1093 AromaticContact CZ-CZ 3.75Å | ||
| 1084 | D | 86.1 | Confident | 89.7 | Confident | 86 Ų | 86 | 34.3 Ų | 34.3 | 46% | 0.46 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -70.5 | 67.9 | 175.3 | -165.7 | 29.9 | 0 | 0 | 0 | 111.1 | E205 V1129 | E205-D1084 PolarHBondContact OE1-N 3.24Å; D1084-V1129 WeakPolarHBondContact CA-O 3.3Å |
| 1085 | L | 87.3 | Confident | 89.6 | Confident | 23 Ų | 23 | 35.3 Ų | 35.3 | 12% | 0.12 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 171.4 | -172.1 | -65 | -180 | 0 | 0 | 0 | 108.8 | F1083 E1089 N1090 V1129 | F1083-L1085 HydrophobicContact CB-CB 4.45Å; F1083-L1085 HydrophobicContact CB-CD1 3.84Å; F1083-L1085 HydrophobicContact CB-CG 3.92Å; F1083-L1085 PolarHBondContact O-N 3.41Å; L1085-E1089 HydrophobicContact CB-CB 3.86Å; L1085-E1089 WeakPolarHBondContact CB-OE2 3.35Å; L1085-E1089 HydrophobicContact CD1-CB 4.2Å; L1085-E1089 WeakPolarHBondContact CD2-OE2 3.25Å; L1085-N1090 PolarHBondContact O-ND2 2.98Å; L1085-V1129 PolarHBondContact N-O 3.48Å; L1085-V1129 WeakPolarHBondContact O-CG2 3.42Å; L1085-V1129 PolarHBondContact O-N 3.1Å; L1085-V1129 VanDerWaalsContact O-O 3.08Å |
| 1086 | T | 91.1 | Very high | 89.5 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 160.4 | 174.6 | 69.2 | 0 | 0 | 0 | 0 | 111.3 | R1088 E1089 N1090 E1126 T1127 K1128 | T1086-R1088 PolarHBondContact O-N 3.11Å; T1086-E1089 PolarHBondContact N-OE2 3.34Å; T1086-E1089 VanDerWaalsContact N-OE2 3.17Å; T1086-E1089 PolarHBondContact O-N 3.28Å; T1086-E1089 WeakPolarHBondContact OG1-CG 3.36Å; T1086-E1089 PolarHBondContact OG1-N 3.4Å; T1086-N1090 WeakPolarHBondContact O-CB 3.28Å; T1086-N1090 PolarHBondContact O-N 3.23Å; T1086-N1090 PolarHBondContact O-ND2 3.38Å; T1086-N1090 VanDerWaalsContact O-ND2 3.15Å; T1086-E1126 VanDerWaalsContact CG2-O 3.27Å; T1086-E1126 WeakPolarHBondContact CG2-O 3.15Å; T1086-T1127 CarbonylContact C-O 3.45Å; T1086-T1127 WeakPolarHBondContact CA-O 3.38Å; T1086-K1128 HydrophobicContact CG2-CG 4.2Å |
| 1087 | I | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.3 | -41.8 | 174.6 | -67.5 | 173 | 0 | 0 | 0 | 110 | E1089 N1090 I1091 I1118 L1121 Y1125 T1127 V1129 I1144 | I1087-E1089 PolarHBondContact O-N 2.9Å; I1087-N1090 PolarHBondContact O-N 3Å; I1087-I1091 HydrophobicContact CG2-CD1 3.83Å; I1087-I1091 HydrophobicContact CG2-CG1 4.43Å; I1087-I1091 WeakPolarHBondContact O-CG1 3.26Å; I1087-I1091 PolarHBondContact O-N 3.01Å; I1087-I1118 HydrophobicContact CD1-CG1 4.31Å; I1087-I1118 HydrophobicContact CG2-CD1 3.7Å; I1087-I1118 HydrophobicContact CG2-CG1 4.19Å; I1087-L1121 HydrophobicContact CD1-CD1 3.58Å; I1087-Y1125 HydrophobicContact CG2-CD1 4.35Å; I1087-Y1125 PolarHBondContact N-O 2.81Å; I1087-T1127 PolarHBondContact N-O 3.41Å; I1087-V1129 HydrophobicContact CD1-CG1 3.98Å; I1087-V1129 HydrophobicContact CG1-CB 4.43Å; I1087-V1129 HydrophobicContact CG1-CG1 3.51Å; I1087-V1129 HydrophobicContact CG1-CG2 4Å; I1087-I1144 HydrophobicContact CG1-CD1 4.43Å; I1087-I1144 HydrophobicContact CG2-CD1 4.38Å |
| 1088 | R | 93.9 | Very high | 89.1 | Confident | 101 Ų | 101 | 43.6 Ų | 43.6 | 38% | 0.381 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52.5 | -53.3 | 173.6 | -176.6 | -176.3 | 173.3 | -169.5 | -2.8 | 112.1 | T1086 N1090 I1091 A1092 M1102 I1105 Y1125 E1126 | T1086-R1088 PolarHBondContact O-N 3.11Å; R1088-N1090 VanDerWaalsContact C-N 3.34Å; R1088-N1090 PolarHBondContact O-N 3.09Å; R1088-I1091 PolarHBondContact O-N 3.32Å; R1088-A1092 WeakPolarHBondContact O-CB 3.3Å; R1088-A1092 PolarHBondContact O-N 3.44Å; R1088-M1102 HydrophobicContact CG-SD 4.17Å; R1088-I1105 HydrophobicContact CG-CD1 3.69Å; R1088-Y1125 WeakPolarHBondContact CB-O 3.33Å; R1088-Y1125 PolarHBondContact N-O 2.88Å; R1088-E1126 WeakPolarHBondContact CD-OE1 3.2Å; R1088-E1126 IonicContact NH1-OE1 2.94Å; R1088-E1126 PolarHBondContact NH1-OE1 2.92Å; R1088-E1126 VanDerWaalsContact NH1-OE1 3.11Å |
| 1089 | E | 92.2 | Very high | 89.2 | Confident | 77 Ų | 77 | 48.2 Ų | 48.2 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.5 | -34.9 | -177.9 | -72.4 | 178 | 139.9 | 0 | 0 | 112.5 | L1085 T1086 I1087 A1092 Y1093 | L1085-E1089 HydrophobicContact CB-CB 3.86Å; L1085-E1089 WeakPolarHBondContact CB-OE2 3.35Å; L1085-E1089 HydrophobicContact CD1-CB 4.2Å; L1085-E1089 WeakPolarHBondContact CD2-OE2 3.25Å; T1086-E1089 PolarHBondContact N-OE2 3.34Å; T1086-E1089 VanDerWaalsContact N-OE2 3.17Å; T1086-E1089 PolarHBondContact O-N 3.28Å; T1086-E1089 WeakPolarHBondContact OG1-CG 3.36Å; T1086-E1089 PolarHBondContact OG1-N 3.4Å; I1087-E1089 PolarHBondContact O-N 2.9Å; E1089-A1092 PolarHBondContact O-N 2.86Å; E1089-Y1093 WeakPolarHBondContact O-CB 3.45Å; E1089-Y1093 PolarHBondContact O-N 2.98Å |
| 1090 | N | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -37.5 | 175.2 | -93.8 | -80.5 | 0 | 0 | 0 | 112.5 | L1082 F1083 L1085 T1086 I1087 R1088 Y1093 V1129 I1144 R1148 | L1082-N1090 WeakPolarHBondContact CA-OD1 3.22Å; F1083-N1090 PolarHBondContact N-OD1 2.81Å; F1083-N1090 PolarHBondContact O-ND2 3.46Å; L1085-N1090 PolarHBondContact O-ND2 2.98Å; T1086-N1090 WeakPolarHBondContact O-CB 3.28Å; T1086-N1090 PolarHBondContact O-N 3.23Å; T1086-N1090 PolarHBondContact O-ND2 3.38Å; T1086-N1090 VanDerWaalsContact O-ND2 3.15Å; I1087-N1090 PolarHBondContact O-N 3Å; R1088-N1090 VanDerWaalsContact C-N 3.34Å; R1088-N1090 PolarHBondContact O-N 3.09Å; N1090-Y1093 WeakPolarHBondContact O-CB 3.43Å; N1090-V1129 VanDerWaalsContact ND2-CG2 3.34Å; N1090-V1129 WeakPolarHBondContact ND2-CG2 3.46Å; N1090-I1144 HydrophobicContact CB-CG2 4.46Å; N1090-R1148 WeakPolarHBondContact O-CG 3.42Å; N1090-R1148 PolarHBondContact O-NE 3.43Å; N1090-R1148 PolarHBondContact OD1-NH2 3.46Å |
| 1091 | I | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.3 | -45.8 | 174.9 | -66.8 | 171.5 | 0 | 0 | 0 | 109.8 | I1087 R1088 Y1093 G1094 I1105 A1109 I1118 Y1125 I1144 A1147 V1151 | I1087-I1091 HydrophobicContact CG2-CD1 3.83Å; I1087-I1091 HydrophobicContact CG2-CG1 4.43Å; I1087-I1091 WeakPolarHBondContact O-CG1 3.26Å; I1087-I1091 PolarHBondContact O-N 3.01Å; R1088-I1091 PolarHBondContact O-N 3.32Å; I1091-Y1093 PolarHBondContact O-N 3.39Å; I1091-G1094 PolarHBondContact O-N 3.37Å; I1091-I1105 HydrophobicContact CB-CG2 4.11Å; I1091-I1105 HydrophobicContact CD1-CG2 4.19Å; I1091-I1105 HydrophobicContact CG2-CB 4.37Å; I1091-I1105 HydrophobicContact CG2-CG1 4.37Å; I1091-I1105 HydrophobicContact CG2-CG2 3.83Å; I1091-A1109 HydrophobicContact CD1-CB 4.36Å; I1091-I1118 HydrophobicContact CD1-CD1 4.38Å; I1091-Y1125 HydrophobicContact CD1-CE1 4.25Å; I1091-I1144 HydrophobicContact CG1-CG2 4.11Å; I1091-A1147 HydrophobicContact CD1-CB 4.13Å; I1091-A1147 HydrophobicContact CG1-CB 4.08Å; I1091-A1147 HydrophobicContact CG2-CB 4.22Å; I1091-V1151 HydrophobicContact CG2-CG2 3.39Å |
| 1092 | A | 94.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 44.1 Ų | 44.1 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -24.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1088 E1089 G1094 D1095 V1100 I1105 | R1088-A1092 WeakPolarHBondContact O-CB 3.3Å; R1088-A1092 PolarHBondContact O-N 3.44Å; E1089-A1092 PolarHBondContact O-N 2.86Å; A1092-G1094 PolarHBondContact O-N 3.13Å; A1092-D1095 PolarHBondContact O-N 3.45Å; A1092-V1100 HydrophobicContact CB-CB 4.24Å; A1092-V1100 HydrophobicContact CB-CG2 4.41Å; A1092-I1105 HydrophobicContact CB-CD1 4.01Å |
| 1093 | Y | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -18.5 | 172.2 | -153.5 | -90.3 | 0 | 0 | 0 | 113.2 | F216 R221 E222 F1083 E1089 N1090 I1091 D1095 N1096 | F216-Y1093 HydrophobicContact CB-CD1 3.95Å; F216-Y1093 HydrophobicContact CB-CE1 4.03Å; F216-Y1093 HydrophobicContact CG-CD1 4.37Å; R221-Y1093 VanDerWaalsContact NH1-CD2 3.35Å; E222-Y1093 WeakPolarHBondContact CG-OH 3.46Å; E222-Y1093 VanDerWaalsContact OE1-CE2 3.25Å; E222-Y1093 WeakPolarHBondContact OE1-CE2 2.87Å; E222-Y1093 PolarHBondContact OE1-OH 2.95Å; F1083-Y1093 HydrophobicContact CD2-CD1 4.33Å; F1083-Y1093 HydrophobicContact CD2-CD2 4.17Å; F1083-Y1093 HydrophobicContact CD2-CE1 4.4Å; F1083-Y1093 HydrophobicContact CD2-CE2 4.24Å; F1083-Y1093 HydrophobicContact CD2-CG 4.21Å; F1083-Y1093 AromaticContact CE2-CD1 3.61Å; F1083-Y1093 HydrophobicContact CE2-CD1 3.61Å; F1083-Y1093 HydrophobicContact CE2-CD2 4.12Å; F1083-Y1093 AromaticContact CE2-CE1 3.44Å; F1083-Y1093 HydrophobicContact CE2-CE1 3.44Å; F1083-Y1093 VanDerWaalsContact CE2-CE1 3.44Å; F1083-Y1093 AromaticContact CE2-CE2 3.98Å; F1083-Y1093 HydrophobicContact CE2-CE2 3.98Å; F1083-Y1093 AromaticContact CE2-CG 3.94Å; F1083-Y1093 HydrophobicContact CE2-CG 3.94Å; F1083-Y1093 AromaticContact CE2-CZ 3.63Å; F1083-Y1093 HydrophobicContact CZ-CD1 4.37Å; F1083-Y1093 AromaticContact CZ-CE1 3.75Å; F1083-Y1093 HydrophobicContact CZ-CE1 3.75Å; F1083-Y1093 HydrophobicContact CZ-CE2 4.38Å; F1083-Y1093 AromaticContact CZ-CZ 3.75Å; E1089-Y1093 WeakPolarHBondContact O-CB 3.45Å; E1089-Y1093 PolarHBondContact O-N 2.98Å; N1090-Y1093 WeakPolarHBondContact O-CB 3.43Å; I1091-Y1093 PolarHBondContact O-N 3.39Å; Y1093-D1095 PolarHBondContact O-N 3.36Å; Y1093-N1096 PolarHBondContact O-ND2 2.9Å; Y1093-N1096 VanDerWaalsContact O-ND2 3.11Å |
| 1094 | G | 90.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -32.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1091 A1092 R1148 R1152 | I1091-G1094 PolarHBondContact O-N 3.37Å; A1092-G1094 PolarHBondContact O-N 3.13Å; G1094-R1148 WeakPolarHBondContact CA-O 3.48Å; G1094-R1152 PolarHBondContact O-NE 3.43Å; G1094-R1152 PolarHBondContact O-NH2 3.48Å |
| 1095 | D | 90.8 | Very high | 91.5 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | trans | -134.5 | 98.7 | 176.9 | -174.2 | -0 | 0 | 0 | 0 | 110.4 | A1092 Y1093 S1097 R1098 V1100 V1151 R1152 | A1092-D1095 PolarHBondContact O-N 3.45Å; Y1093-D1095 PolarHBondContact O-N 3.36Å; D1095-S1097 VanDerWaalsContact C-N 3.29Å; D1095-S1097 WeakPolarHBondContact OD1-CB 3.28Å; D1095-S1097 PolarHBondContact OD1-N 2.98Å; D1095-S1097 PolarHBondContact OD1-OG 3.2Å; D1095-R1098 WeakPolarHBondContact OD2-CG 3.38Å; D1095-R1098 IonicContact OD2-CZ 2.78Å; D1095-R1098 IonicContact OD2-NE 3.12Å; D1095-R1098 PolarHBondContact OD2-NE 3.02Å; D1095-V1100 HydrophobicContact CB-CG2 4Å; D1095-V1151 HydrophobicContact CB-CG1 4.33Å; D1095-R1152 HydrophobicContact CB-CB 4.26Å | ||
| 1096 | N | 88.8 | Confident | 91.9 | Very high | 43 Ų | 43 | 49 Ų | 49 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 4.6 | 178.2 | -65.5 | -61 | 0 | 0 | 0 | 113.2 | F216 R221 Y1093 | F216-N1096 PolarHBondContact O-ND2 3.45Å; F216-N1096 VanDerWaalsContact O-ND2 3.17Å; R221-N1096 WeakPolarHBondContact CD-OD1 3.37Å; R221-N1096 PolarHBondContact NH1-OD1 3.49Å; R221-N1096 VanDerWaalsContact NH1-OD1 3.08Å; Y1093-N1096 PolarHBondContact O-ND2 2.9Å; Y1093-N1096 VanDerWaalsContact O-ND2 3.11Å |
| 1097 | S | 84 | Confident | 92 | Very high | 76 Ų | 76 | 53.7 Ų | 53.7 | 53% | 0.531 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -20.9 | -178.8 | 73.3 | 0 | 0 | 0 | 0 | 113.8 | D1095 | D1095-S1097 VanDerWaalsContact C-N 3.29Å; D1095-S1097 WeakPolarHBondContact OD1-CB 3.28Å; D1095-S1097 PolarHBondContact OD1-N 2.98Å; D1095-S1097 PolarHBondContact OD1-OG 3.2Å |
| 1098 | R | 89.4 | Confident | 92.1 | Very high | 105 Ų | 105 | 54 Ų | 54 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -146.3 | 167.9 | 179.7 | 65.9 | -175.7 | -179.3 | 107.1 | -8.4 | 109.9 | D1095 E1104 | D1095-R1098 WeakPolarHBondContact OD2-CG 3.38Å; D1095-R1098 IonicContact OD2-CZ 2.78Å; D1095-R1098 IonicContact OD2-NE 3.12Å; D1095-R1098 PolarHBondContact OD2-NE 3.02Å; R1098-E1104 IonicContact CZ-OE1 2.68Å; R1098-E1104 IonicContact CZ-OE2 3.25Å; R1098-E1104 VanDerWaalsContact CZ-OE2 3.24Å; R1098-E1104 IonicContact NH1-OE1 3.73Å; R1098-E1104 PolarHBondContact NH1-OE1 2.94Å; R1098-E1104 VanDerWaalsContact NH1-OE1 3.16Å; R1098-E1104 IonicContact NH1-OE2 3.61Å; R1098-E1104 PolarHBondContact NH1-OE2 3.4Å; R1098-E1104 IonicContact NH2-OE1 3.64Å; R1098-E1104 PolarHBondContact NH2-OE1 3.4Å; R1098-E1104 IonicContact NH2-OE2 2.87Å; R1098-E1104 PolarHBondContact NH2-OE2 3.39Å |
| 1099 | E | 87 | Confident | 92.1 | Very high | 186 Ų | 186 | 49.2 Ų | 49.2 | 87% | 0.869 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -79.3 | 124.5 | 166.8 | -66.6 | -176.3 | 174.7 | 0 | 0 | 109.3 | ||
| 1100 | V | 90.8 | Very high | 92.2 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 11% | 0.109 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 131.8 | -178.2 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | A1092 D1095 E1104 I1105 V1151 | A1092-V1100 HydrophobicContact CB-CB 4.24Å; A1092-V1100 HydrophobicContact CB-CG2 4.41Å; D1095-V1100 HydrophobicContact CB-CG2 4Å; V1100-E1104 HydrophobicContact CG1-CB 3.86Å; V1100-E1104 WeakPolarHBondContact CG1-OE2 3.27Å; V1100-I1105 HydrophobicContact CG1-CD1 4.4Å; V1100-I1105 HydrophobicContact CG1-CG1 3.78Å; V1100-V1151 HydrophobicContact CB-CG1 4.34Å; V1100-V1151 HydrophobicContact CG1-CG1 3.58Å; V1100-V1151 HydrophobicContact CG2-CG1 3.8Å |
| 1101 | T | 94.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 155 | 180 | 67 | 0 | 0 | 0 | 0 | 110.8 | E1103 E1104 I1105 | T1101-E1103 PolarHBondContact O-N 2.85Å; T1101-E1104 PolarHBondContact N-OE2 3.27Å; T1101-E1104 PolarHBondContact O-N 3.27Å; T1101-E1104 WeakPolarHBondContact OG1-CG 3.39Å; T1101-I1105 WeakPolarHBondContact O-CG1 3.34Å; T1101-I1105 PolarHBondContact O-N 2.9Å |
| 1102 | M | 93.5 | Very high | 92 | Very high | 63 Ų | 63 | 54.9 Ų | 54.9 | 31% | 0.31 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -32.6 | 179.1 | -170.3 | 62.9 | -177.1 | 0 | 0 | 112.2 | R1088 E1104 I1105 I1106 Y1125 | R1088-M1102 HydrophobicContact CG-SD 4.17Å; M1102-E1104 PolarHBondContact O-N 3.23Å; M1102-I1105 PolarHBondContact O-N 3.44Å; M1102-I1105 HydrophobicContact SD-CB 4.45Å; M1102-I1105 HydrophobicContact SD-CD1 4.39Å; M1102-I1105 HydrophobicContact SD-CG2 4.48Å; M1102-I1106 HydrophobicContact CE-CD1 4.15Å; M1102-I1106 HydrophobicContact CE-CG1 4.14Å; M1102-I1106 HydrophobicContact CG-CD1 4.01Å; M1102-I1106 HydrophobicContact CG-CG1 4.47Å; M1102-I1106 VanDerWaalsContact O-CG1 3.32Å; M1102-I1106 WeakPolarHBondContact O-CG1 3.44Å; M1102-I1106 PolarHBondContact O-N 3.49Å; M1102-Y1125 HydrophobicContact CE-CD1 3.97Å; M1102-Y1125 HydrophobicContact CE-CD2 3.51Å; M1102-Y1125 HydrophobicContact CE-CE1 4.45Å; M1102-Y1125 HydrophobicContact CE-CE2 4.05Å; M1102-Y1125 HydrophobicContact CE-CG 3.46Å; M1102-Y1125 VanDerWaalsContact CE-CG 3.46Å |
| 1103 | E | 93.9 | Very high | 91.9 | Very high | 162 Ų | 162 | 57.1 Ų | 57.1 | 76% | 0.757 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 176.4 | -66 | 177.6 | 178.6 | 0 | 0 | 111.7 | T1101 I1106 E1107 | T1101-E1103 PolarHBondContact O-N 2.85Å; E1103-I1106 PolarHBondContact O-N 2.77Å; E1103-E1107 WeakPolarHBondContact O-CB 3.44Å; E1103-E1107 PolarHBondContact O-N 2.93Å |
| 1104 | E | 93.8 | Very high | 91.9 | Very high | 37 Ų | 37 | 57.1 Ų | 57.1 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.2 | -36.4 | 176.8 | -69.6 | 176.4 | 143.9 | 0 | 0 | 112.3 | R1098 V1100 T1101 M1102 I1106 E1107 A1108 | R1098-E1104 IonicContact CZ-OE1 2.68Å; R1098-E1104 IonicContact CZ-OE2 3.25Å; R1098-E1104 VanDerWaalsContact CZ-OE2 3.24Å; R1098-E1104 IonicContact NH1-OE1 3.73Å; R1098-E1104 PolarHBondContact NH1-OE1 2.94Å; R1098-E1104 VanDerWaalsContact NH1-OE1 3.16Å; R1098-E1104 IonicContact NH1-OE2 3.61Å; R1098-E1104 PolarHBondContact NH1-OE2 3.4Å; R1098-E1104 IonicContact NH2-OE1 3.64Å; R1098-E1104 PolarHBondContact NH2-OE1 3.4Å; R1098-E1104 IonicContact NH2-OE2 2.87Å; R1098-E1104 PolarHBondContact NH2-OE2 3.39Å; V1100-E1104 HydrophobicContact CG1-CB 3.86Å; V1100-E1104 WeakPolarHBondContact CG1-OE2 3.27Å; T1101-E1104 PolarHBondContact N-OE2 3.27Å; T1101-E1104 PolarHBondContact O-N 3.27Å; T1101-E1104 WeakPolarHBondContact OG1-CG 3.39Å; M1102-E1104 PolarHBondContact O-N 3.23Å; E1104-I1106 VanDerWaalsContact C-N 3.35Å; E1104-E1107 PolarHBondContact O-N 2.65Å; E1104-A1108 WeakPolarHBondContact O-CB 3.25Å; E1104-A1108 PolarHBondContact O-N 3.5Å |
| 1105 | I | 94.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 175.1 | -65.8 | 171.7 | 0 | 0 | 0 | 110.3 | R1088 I1091 A1092 V1100 T1101 M1102 A1109 Y1125 | R1088-I1105 HydrophobicContact CG-CD1 3.69Å; I1091-I1105 HydrophobicContact CB-CG2 4.11Å; I1091-I1105 HydrophobicContact CD1-CG2 4.19Å; I1091-I1105 HydrophobicContact CG2-CB 4.37Å; I1091-I1105 HydrophobicContact CG2-CG1 4.37Å; I1091-I1105 HydrophobicContact CG2-CG2 3.83Å; A1092-I1105 HydrophobicContact CB-CD1 4.01Å; V1100-I1105 HydrophobicContact CG1-CD1 4.4Å; V1100-I1105 HydrophobicContact CG1-CG1 3.78Å; T1101-I1105 WeakPolarHBondContact O-CG1 3.34Å; T1101-I1105 PolarHBondContact O-N 2.9Å; M1102-I1105 PolarHBondContact O-N 3.44Å; M1102-I1105 HydrophobicContact SD-CB 4.45Å; M1102-I1105 HydrophobicContact SD-CD1 4.39Å; M1102-I1105 HydrophobicContact SD-CG2 4.48Å; I1105-A1109 VanDerWaalsContact O-CB 3.23Å; I1105-A1109 WeakPolarHBondContact O-CB 3.47Å; I1105-A1109 PolarHBondContact O-N 3.07Å; I1105-Y1125 HydrophobicContact CG2-CD1 4.06Å; I1105-Y1125 HydrophobicContact CG2-CE1 3.82Å |
| 1106 | I | 95.1 | Very high | 92.1 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 21% | 0.205 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.9 | -43 | 177.2 | -68 | 167.4 | 0 | 0 | 0 | 110.5 | M1102 E1103 E1104 A1108 A1109 R1110 Y1125 | M1102-I1106 HydrophobicContact CE-CD1 4.15Å; M1102-I1106 HydrophobicContact CE-CG1 4.14Å; M1102-I1106 HydrophobicContact CG-CD1 4.01Å; M1102-I1106 HydrophobicContact CG-CG1 4.47Å; M1102-I1106 VanDerWaalsContact O-CG1 3.32Å; M1102-I1106 WeakPolarHBondContact O-CG1 3.44Å; M1102-I1106 PolarHBondContact O-N 3.49Å; E1103-I1106 PolarHBondContact O-N 2.77Å; E1104-I1106 VanDerWaalsContact C-N 3.35Å; I1106-A1108 PolarHBondContact O-N 3.02Å; I1106-A1109 PolarHBondContact O-N 3.32Å; I1106-R1110 HydrophobicContact CG2-CG 4.41Å; I1106-R1110 WeakPolarHBondContact O-CB 3.39Å; I1106-R1110 WeakPolarHBondContact O-CG 3.47Å; I1106-R1110 PolarHBondContact O-N 3.38Å; I1106-Y1125 HydrophobicContact CG1-CE2 4.13Å |
| 1107 | E | 94 | Very high | 92.2 | Very high | 109 Ų | 109 | 63.7 Ų | 63.7 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.4 | -49.7 | 175.2 | -171.5 | -171.3 | 176.4 | 0 | 0 | 110.8 | E1103 E1104 A1109 R1110 A1111 K1153 | E1103-E1107 WeakPolarHBondContact O-CB 3.44Å; E1103-E1107 PolarHBondContact O-N 2.93Å; E1104-E1107 PolarHBondContact O-N 2.65Å; E1107-A1109 PolarHBondContact O-N 2.98Å; E1107-R1110 PolarHBondContact O-N 3.22Å; E1107-A1111 WeakPolarHBondContact O-CB 3.34Å; E1107-A1111 PolarHBondContact O-N 2.94Å; E1107-K1153 IonicContact OE2-NZ 3.5Å |
| 1108 | A | 93.6 | Very high | 92.5 | Very high | 6 Ų | 6 | 60 Ų | 60 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1104 I1106 A1111 A1112 A1147 L1150 V1151 | E1104-A1108 WeakPolarHBondContact O-CB 3.25Å; E1104-A1108 PolarHBondContact O-N 3.5Å; I1106-A1108 PolarHBondContact O-N 3.02Å; A1108-A1111 PolarHBondContact O-N 3.44Å; A1108-A1112 WeakPolarHBondContact O-CB 3.42Å; A1108-A1112 PolarHBondContact O-N 3.27Å; A1108-A1147 HydrophobicContact CB-CB 4.46Å; A1108-L1150 HydrophobicContact CB-CB 4.35Å; A1108-V1151 HydrophobicContact CB-CB 4.49Å; A1108-V1151 HydrophobicContact CB-CG2 3.49Å; A1108-V1151 VanDerWaalsContact CB-CG2 3.49Å |
| 1109 | A | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.5 | -33.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1091 I1105 I1106 E1107 N1113 I1114 H1115 I1118 Y1125 | I1091-A1109 HydrophobicContact CD1-CB 4.36Å; I1105-A1109 VanDerWaalsContact O-CB 3.23Å; I1105-A1109 WeakPolarHBondContact O-CB 3.47Å; I1105-A1109 PolarHBondContact O-N 3.07Å; I1106-A1109 PolarHBondContact O-N 3.32Å; E1107-A1109 PolarHBondContact O-N 2.98Å; A1109-N1113 PolarHBondContact O-N 3.07Å; A1109-I1114 HydrophobicContact CB-CG2 3.91Å; A1109-I1114 WeakPolarHBondContact O-CG2 3.37Å; A1109-I1114 PolarHBondContact O-N 3.44Å; A1109-H1115 HydrophobicContact CB-CB 4.3Å; A1109-H1115 PolarHBondContact O-N 3.35Å; A1109-I1118 HydrophobicContact CB-CD1 4.4Å; A1109-Y1125 HydrophobicContact CB-CE1 4.18Å; A1109-Y1125 WeakPolarHBondContact CB-OH 3.42Å |
| 1110 | R | 94.2 | Very high | 92.8 | Very high | 150 Ų | 150 | 54 Ų | 54 | 57% | 0.566 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -69.5 | -45.1 | 172.2 | -74.3 | 178.9 | -175.7 | 171.1 | 1.4 | 110.9 | I1106 E1107 A1112 N1113 H1115 | I1106-R1110 HydrophobicContact CG2-CG 4.41Å; I1106-R1110 WeakPolarHBondContact O-CB 3.39Å; I1106-R1110 WeakPolarHBondContact O-CG 3.47Å; I1106-R1110 PolarHBondContact O-N 3.38Å; E1107-R1110 PolarHBondContact O-N 3.22Å; R1110-A1112 PolarHBondContact O-N 3.13Å; R1110-N1113 PolarHBondContact O-N 3.24Å; R1110-N1113 PolarHBondContact O-OD1 2.97Å; R1110-H1115 HydrophobicContact CB-CB 4.47Å; R1110-H1115 HydrophobicContact CG-CB 3.62Å; R1110-H1115 PolarHBondContact NH2-NE2 3.28Å |
| 1111 | A | 91 | Very high | 92.7 | Very high | 46 Ų | 46 | 54.5 Ų | 54.5 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -29.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1107 A1108 L1150 | E1107-A1111 WeakPolarHBondContact O-CB 3.34Å; E1107-A1111 PolarHBondContact O-N 2.94Å; A1108-A1111 PolarHBondContact O-N 3.44Å; A1111-L1150 HydrophobicContact CB-CD1 3.79Å |
| 1112 | A | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 9.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1108 R1110 I1114 R1143 I1146 A1147 | A1108-A1112 WeakPolarHBondContact O-CB 3.42Å; A1108-A1112 PolarHBondContact O-N 3.27Å; R1110-A1112 PolarHBondContact O-N 3.13Å; A1112-I1114 VanDerWaalsContact C-N 3.26Å; A1112-I1114 HydrophobicContact CB-CG2 4.38Å; A1112-I1114 PolarHBondContact O-N 3.33Å; A1112-R1143 WeakPolarHBondContact CB-O 3.27Å; A1112-R1143 WeakPolarHBondContact O-CB 3.44Å; A1112-R1143 VanDerWaalsContact O-CD 3.24Å; A1112-R1143 WeakPolarHBondContact O-CD 3.36Å; A1112-R1143 VanDerWaalsContact O-CG 3.3Å; A1112-R1143 WeakPolarHBondContact O-CG 3.25Å; A1112-I1146 HydrophobicContact CB-CB 4.05Å; A1112-I1146 HydrophobicContact CB-CG2 3.83Å; A1112-A1147 HydrophobicContact CB-CB 3.82Å |
| 1113 | N | 92.1 | Very high | 92.1 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 34.9 | -178.4 | -64.4 | -23.6 | 0 | 0 | 0 | 114.4 | A1109 R1110 R1143 A1177 | A1109-N1113 PolarHBondContact O-N 3.07Å; R1110-N1113 PolarHBondContact O-N 3.24Å; R1110-N1113 PolarHBondContact O-OD1 2.97Å; N1113-R1143 PolarHBondContact O-NH1 2.96Å; N1113-A1177 HydrophobicContact CB-CB 4.4Å |
| 1114 | I | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -116.8 | -13.5 | -179.2 | -162.1 | 64.3 | 0 | 0 | 0 | 113.8 | A1109 A1112 D1116 F1117 I1118 Q1140 R1143 I1144 | A1109-I1114 HydrophobicContact CB-CG2 3.91Å; A1109-I1114 WeakPolarHBondContact O-CG2 3.37Å; A1109-I1114 PolarHBondContact O-N 3.44Å; A1112-I1114 VanDerWaalsContact C-N 3.26Å; A1112-I1114 HydrophobicContact CB-CG2 4.38Å; A1112-I1114 PolarHBondContact O-N 3.33Å; I1114-D1116 VanDerWaalsContact C-N 3.34Å; I1114-D1116 PolarHBondContact O-N 3.45Å; I1114-F1117 HydrophobicContact CD1-CB 3.95Å; I1114-F1117 HydrophobicContact CD1-CD1 3.71Å; I1114-F1117 HydrophobicContact CD1-CG 4.12Å; I1114-F1117 HydrophobicContact CG1-CD1 4.36Å; I1114-F1117 PolarHBondContact O-N 2.87Å; I1114-F1117 VanDerWaalsContact O-N 3.15Å; I1114-I1118 HydrophobicContact CB-CD1 4.45Å; I1114-I1118 HydrophobicContact CG1-CD1 4.08Å; I1114-I1118 HydrophobicContact CG1-CG1 4.13Å; I1114-I1118 HydrophobicContact CG2-CD1 3.83Å; I1114-I1118 WeakPolarHBondContact O-CG1 3.37Å; I1114-I1118 PolarHBondContact O-N 3.32Å; I1114-Q1140 HydrophobicContact CD1-CB 4.3Å; I1114-Q1140 HydrophobicContact CD1-CG 4.3Å; I1114-R1143 HydrophobicContact CB-CB 3.89Å; I1114-R1143 HydrophobicContact CD1-CB 4.04Å; I1114-R1143 HydrophobicContact CG1-CB 4.17Å; I1114-I1144 HydrophobicContact CG1-CG1 4.2Å | ||
| 1115 | H | 93.5 | Very high | 91.9 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 13% | 0.125 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53 | -48.2 | -179 | -178.8 | 65 | 0 | 0 | 0 | 112.9 | A1109 R1110 F1117 I1118 T1119 Y1125 | A1109-H1115 HydrophobicContact CB-CB 4.3Å; A1109-H1115 PolarHBondContact O-N 3.35Å; R1110-H1115 HydrophobicContact CB-CB 4.47Å; R1110-H1115 HydrophobicContact CG-CB 3.62Å; R1110-H1115 PolarHBondContact NH2-NE2 3.28Å; H1115-F1117 VanDerWaalsContact C-N 3.27Å; H1115-F1117 PolarHBondContact O-N 3.46Å; H1115-I1118 PolarHBondContact O-N 3.28Å; H1115-I1118 VanDerWaalsContact O-N 3.1Å; H1115-T1119 WeakPolarHBondContact O-CG2 3.4Å; H1115-T1119 PolarHBondContact O-N 3.28Å; H1115-T1119 PolarHBondContact O-OG1 3.29Å; H1115-Y1125 AromaticContact ND1-CE2 3.83Å; H1115-Y1125 AromaticContact ND1-CZ 3.76Å; H1115-Y1125 PolarHBondContact ND1-OH 3.35Å |
| 1116 | D | 91.1 | Very high | 91.8 | Very high | 124 Ų | 124 | 60.5 Ų | 60.5 | 66% | 0.663 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.9 | -31 | -177.5 | -57.8 | -22.5 | 0 | 0 | 0 | 112.4 | I1114 T1119 T1120 | I1114-D1116 VanDerWaalsContact C-N 3.34Å; I1114-D1116 PolarHBondContact O-N 3.45Å; D1116-T1119 WeakPolarHBondContact CA-OG1 3.42Å; D1116-T1119 PolarHBondContact O-OG1 2.88Å; D1116-T1120 WeakPolarHBondContact O-CG2 3.37Å |
| 1117 | F | 90.3 | Very high | 91.6 | Very high | 50 Ų | 50 | 59.4 Ų | 59.4 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72 | -43.9 | 172.5 | 173.4 | -100.8 | 0 | 0 | 0 | 110.9 | I1114 H1115 T1119 T1120 L1121 L1136 Q1140 | I1114-F1117 HydrophobicContact CD1-CB 3.95Å; I1114-F1117 HydrophobicContact CD1-CD1 3.71Å; I1114-F1117 HydrophobicContact CD1-CG 4.12Å; I1114-F1117 HydrophobicContact CG1-CD1 4.36Å; I1114-F1117 PolarHBondContact O-N 2.87Å; I1114-F1117 VanDerWaalsContact O-N 3.15Å; H1115-F1117 VanDerWaalsContact C-N 3.27Å; H1115-F1117 PolarHBondContact O-N 3.46Å; F1117-T1119 VanDerWaalsContact C-N 3.29Å; F1117-T1119 PolarHBondContact O-N 3.45Å; F1117-T1120 PolarHBondContact O-N 3.02Å; F1117-T1120 VanDerWaalsContact O-N 3.08Å; F1117-T1120 PolarHBondContact O-OG1 3.22Å; F1117-L1121 HydrophobicContact CE1-CD1 4.03Å; F1117-L1121 HydrophobicContact CE1-CD2 4.3Å; F1117-L1121 HydrophobicContact CE1-CG 4.32Å; F1117-L1121 HydrophobicContact CZ-CD2 4Å; F1117-L1121 HydrophobicContact CZ-CG 4.45Å; F1117-L1136 HydrophobicContact CE1-CD2 3.58Å; F1117-L1136 HydrophobicContact CZ-CD2 3.9Å; F1117-Q1140 HydrophobicContact CD1-CG 4.33Å; F1117-Q1140 HydrophobicContact CE1-CG 4.14Å; F1117-Q1140 HydrophobicContact CZ-CG 4.25Å; F1117-Q1140 VanDerWaalsContact CZ-NE2 3.34Å |
| 1118 | I | 91.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -40.2 | -179.8 | -65.6 | 164.2 | 0 | 0 | 0 | 110.5 | I1087 I1091 A1109 I1114 H1115 T1120 L1121 Q1124 Y1125 | I1087-I1118 HydrophobicContact CD1-CG1 4.31Å; I1087-I1118 HydrophobicContact CG2-CD1 3.7Å; I1087-I1118 HydrophobicContact CG2-CG1 4.19Å; I1091-I1118 HydrophobicContact CD1-CD1 4.38Å; A1109-I1118 HydrophobicContact CB-CD1 4.4Å; I1114-I1118 HydrophobicContact CB-CD1 4.45Å; I1114-I1118 HydrophobicContact CG1-CD1 4.08Å; I1114-I1118 HydrophobicContact CG1-CG1 4.13Å; I1114-I1118 HydrophobicContact CG2-CD1 3.83Å; I1114-I1118 WeakPolarHBondContact O-CG1 3.37Å; I1114-I1118 PolarHBondContact O-N 3.32Å; H1115-I1118 PolarHBondContact O-N 3.28Å; H1115-I1118 VanDerWaalsContact O-N 3.1Å; I1118-T1120 PolarHBondContact O-N 3.07Å; I1118-L1121 WeakPolarHBondContact O-CB 3.37Å; I1118-L1121 PolarHBondContact O-N 3.28Å; I1118-L1121 VanDerWaalsContact O-N 3.08Å; I1118-Q1124 VanDerWaalsContact CG2-C 3.47Å; I1118-Q1124 VanDerWaalsContact O-CA 3.3Å; I1118-Q1124 WeakPolarHBondContact O-CA 3.28Å; I1118-Y1125 HydrophobicContact CB-CE2 4.48Å; I1118-Y1125 HydrophobicContact CD1-CD1 4.31Å; I1118-Y1125 HydrophobicContact CD1-CE1 3.78Å; I1118-Y1125 HydrophobicContact CG2-CD1 3.95Å; I1118-Y1125 HydrophobicContact CG2-CD2 3.63Å; I1118-Y1125 HydrophobicContact CG2-CE1 4.12Å; I1118-Y1125 HydrophobicContact CG2-CE2 3.81Å; I1118-Y1125 HydrophobicContact CG2-CG 3.7Å |
| 1119 | T | 91 | Very high | 90.8 | Very high | 59 Ų | 59 | 60.4 Ų | 60.4 | 36% | 0.362 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.8 | -21.4 | 178 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | H1115 D1116 F1117 L1121 | H1115-T1119 WeakPolarHBondContact O-CG2 3.4Å; H1115-T1119 PolarHBondContact O-N 3.28Å; H1115-T1119 PolarHBondContact O-OG1 3.29Å; D1116-T1119 WeakPolarHBondContact CA-OG1 3.42Å; D1116-T1119 PolarHBondContact O-OG1 2.88Å; F1117-T1119 VanDerWaalsContact C-N 3.29Å; F1117-T1119 PolarHBondContact O-N 3.45Å; T1119-L1121 VanDerWaalsContact C-N 3.34Å |
| 1120 | T | 91.3 | Very high | 89.8 | Confident | 105 Ų | 105 | 61.2 Ų | 61.2 | 64% | 0.644 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -78.5 | -15.7 | 173.7 | 68.8 | 0 | 0 | 0 | 0 | 113.6 | D1116 F1117 I1118 | D1116-T1120 WeakPolarHBondContact O-CG2 3.37Å; F1117-T1120 PolarHBondContact O-N 3.02Å; F1117-T1120 VanDerWaalsContact O-N 3.08Å; F1117-T1120 PolarHBondContact O-OG1 3.22Å; I1118-T1120 PolarHBondContact O-N 3.07Å |
| 1121 | L | 88.8 | Confident | 88.2 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -75.4 | 145.6 | 178.3 | -63.6 | 172.9 | 0 | 0 | 0 | 111.1 | I1087 F1117 I1118 T1119 E1123 Q1124 T1127 | I1087-L1121 HydrophobicContact CD1-CD1 3.58Å; F1117-L1121 HydrophobicContact CE1-CD1 4.03Å; F1117-L1121 HydrophobicContact CE1-CD2 4.3Å; F1117-L1121 HydrophobicContact CE1-CG 4.32Å; F1117-L1121 HydrophobicContact CZ-CD2 4Å; F1117-L1121 HydrophobicContact CZ-CG 4.45Å; I1118-L1121 WeakPolarHBondContact O-CB 3.37Å; I1118-L1121 PolarHBondContact O-N 3.28Å; I1118-L1121 VanDerWaalsContact O-N 3.08Å; T1119-L1121 VanDerWaalsContact C-N 3.34Å; L1121-E1123 VanDerWaalsContact C-N 3.3Å; L1121-E1123 PolarHBondContact O-N 3.16Å; L1121-Q1124 PolarHBondContact O-N 3.42Å; L1121-T1127 HydrophobicContact CD1-CG2 4.22Å |
| 1122 | P | 86.2 | Confident | 86.3 | Confident | 132 Ų | 132 | 70.7 Ų | 70.7 | 86% | 0.857 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -39.8 | -176.8 | -24.5 | 32.4 | 0 | 0 | 0 | 114.3 | ||
| 1123 | E | 88.1 | Confident | 84.3 | Confident | 124 Ų | 124 | 72.9 Ų | 72.9 | 58% | 0.579 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 8.1 | -180 | -62.7 | -178.4 | 164.7 | 0 | 0 | 112.2 | L1121 Y1125 E1126 | L1121-E1123 VanDerWaalsContact C-N 3.3Å; L1121-E1123 PolarHBondContact O-N 3.16Å; E1123-Y1125 PolarHBondContact O-N 3.21Å; E1123-E1126 PolarHBondContact O-N 2.92Å |
| 1124 | Q | 92.1 | Very high | 82.6 | Confident | 103 Ų | 103 | 71.7 Ų | 71.7 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | 46.5 | -121.7 | -177 | -55.8 | -179.2 | 0.6 | 0 | 0 | 112.4 | I1118 L1121 E1126 T1127 | I1118-Q1124 VanDerWaalsContact CG2-C 3.47Å; I1118-Q1124 VanDerWaalsContact O-CA 3.3Å; I1118-Q1124 WeakPolarHBondContact O-CA 3.28Å; L1121-Q1124 PolarHBondContact O-N 3.42Å; Q1124-E1126 VanDerWaalsContact C-N 3.28Å; Q1124-E1126 PolarHBondContact O-N 3.1Å; Q1124-T1127 VanDerWaalsContact O-CB 3.29Å; Q1124-T1127 WeakPolarHBondContact O-CB 3.49Å; Q1124-T1127 PolarHBondContact O-N 3.17Å; Q1124-T1127 PolarHBondContact O-OG1 3.16Å |
| 1125 | Y | 92.9 | Very high | 81.4 | Confident | 11 Ų | 11 | 82 Ų | 82 | 4% | 0.043 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -70.2 | -18.9 | -179.9 | -80.2 | -87.4 | 0 | 0 | 0 | 114.6 | I1087 R1088 I1091 M1102 I1105 I1106 A1109 H1115 I1118 E1123 T1127 | I1087-Y1125 HydrophobicContact CG2-CD1 4.35Å; I1087-Y1125 PolarHBondContact N-O 2.81Å; R1088-Y1125 WeakPolarHBondContact CB-O 3.33Å; R1088-Y1125 PolarHBondContact N-O 2.88Å; I1091-Y1125 HydrophobicContact CD1-CE1 4.25Å; M1102-Y1125 HydrophobicContact CE-CD1 3.97Å; M1102-Y1125 HydrophobicContact CE-CD2 3.51Å; M1102-Y1125 HydrophobicContact CE-CE1 4.45Å; M1102-Y1125 HydrophobicContact CE-CE2 4.05Å; M1102-Y1125 HydrophobicContact CE-CG 3.46Å; M1102-Y1125 VanDerWaalsContact CE-CG 3.46Å; I1105-Y1125 HydrophobicContact CG2-CD1 4.06Å; I1105-Y1125 HydrophobicContact CG2-CE1 3.82Å; I1106-Y1125 HydrophobicContact CG1-CE2 4.13Å; A1109-Y1125 HydrophobicContact CB-CE1 4.18Å; A1109-Y1125 WeakPolarHBondContact CB-OH 3.42Å; H1115-Y1125 AromaticContact ND1-CE2 3.83Å; H1115-Y1125 AromaticContact ND1-CZ 3.76Å; H1115-Y1125 PolarHBondContact ND1-OH 3.35Å; I1118-Y1125 HydrophobicContact CB-CE2 4.48Å; I1118-Y1125 HydrophobicContact CD1-CD1 4.31Å; I1118-Y1125 HydrophobicContact CD1-CE1 3.78Å; I1118-Y1125 HydrophobicContact CG2-CD1 3.95Å; I1118-Y1125 HydrophobicContact CG2-CD2 3.63Å; I1118-Y1125 HydrophobicContact CG2-CE1 4.12Å; I1118-Y1125 HydrophobicContact CG2-CE2 3.81Å; I1118-Y1125 HydrophobicContact CG2-CG 3.7Å; E1123-Y1125 PolarHBondContact O-N 3.21Å; Y1125-T1127 VanDerWaalsContact C-N 3.27Å |
| 1126 | E | 91.7 | Very high | 80.8 | Confident | 90 Ų | 90 | 81.3 Ų | 81.3 | 42% | 0.421 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -86.1 | -3.1 | 177.5 | -62.3 | -60.5 | 159.2 | 0 | 0 | 112.2 | T1086 R1088 E1123 Q1124 K1128 | T1086-E1126 VanDerWaalsContact CG2-O 3.27Å; T1086-E1126 WeakPolarHBondContact CG2-O 3.15Å; R1088-E1126 WeakPolarHBondContact CD-OE1 3.2Å; R1088-E1126 IonicContact NH1-OE1 2.94Å; R1088-E1126 PolarHBondContact NH1-OE1 2.92Å; R1088-E1126 VanDerWaalsContact NH1-OE1 3.11Å; E1123-E1126 PolarHBondContact O-N 2.92Å; Q1124-E1126 VanDerWaalsContact C-N 3.28Å; Q1124-E1126 PolarHBondContact O-N 3.1Å; E1126-K1128 PolarHBondContact O-N 3.41Å |
| 1127 | T | 89.8 | Confident | 80.5 | Confident | 16 Ų | 16 | 77.5 Ų | 77.5 | 10% | 0.098 | 40% | 0.397 | C | S | . | . | trans | -55.6 | 125.3 | 172.5 | -53.4 | 0 | 0 | 0 | 0 | 109.8 | T1086 I1087 L1121 Q1124 Y1125 | T1086-T1127 CarbonylContact C-O 3.45Å; T1086-T1127 WeakPolarHBondContact CA-O 3.38Å; I1087-T1127 PolarHBondContact N-O 3.41Å; L1121-T1127 HydrophobicContact CD1-CG2 4.22Å; Q1124-T1127 VanDerWaalsContact O-CB 3.29Å; Q1124-T1127 WeakPolarHBondContact O-CB 3.49Å; Q1124-T1127 PolarHBondContact O-N 3.17Å; Q1124-T1127 PolarHBondContact O-OG1 3.16Å; Y1125-T1127 VanDerWaalsContact C-N 3.27Å | ||
| 1128 | K | 86.9 | Confident | 80.2 | Confident | 134 Ų | 134 | 77.1 Ų | 77.1 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 129.8 | 175.6 | -68.6 | -176.6 | 179 | -179.7 | 0 | 111.3 | T1086 E1126 S1134 | T1086-K1128 HydrophobicContact CG2-CG 4.2Å; E1126-K1128 PolarHBondContact O-N 3.41Å; K1128-S1134 WeakPolarHBondContact O-CB 3.46Å |
| 1129 | V | 84.9 | Confident | 80 | Confident | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.012 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 145 | 176.6 | -67.1 | 0 | 0 | 0 | 0 | 108.4 | L1082 D1084 L1085 I1087 N1090 L1136 | L1082-V1129 HydrophobicContact CB-CG2 4.48Å; L1082-V1129 HydrophobicContact CD1-CB 4.24Å; L1082-V1129 HydrophobicContact CD1-CG2 4.14Å; D1084-V1129 WeakPolarHBondContact CA-O 3.3Å; L1085-V1129 PolarHBondContact N-O 3.48Å; L1085-V1129 WeakPolarHBondContact O-CG2 3.42Å; L1085-V1129 PolarHBondContact O-N 3.1Å; L1085-V1129 VanDerWaalsContact O-O 3.08Å; I1087-V1129 HydrophobicContact CD1-CG1 3.98Å; I1087-V1129 HydrophobicContact CG1-CB 4.43Å; I1087-V1129 HydrophobicContact CG1-CG1 3.51Å; I1087-V1129 HydrophobicContact CG1-CG2 4Å; N1090-V1129 VanDerWaalsContact ND2-CG2 3.34Å; N1090-V1129 WeakPolarHBondContact ND2-CG2 3.46Å; V1129-L1136 HydrophobicContact CB-CD1 4.3Å; V1129-L1136 HydrophobicContact CG1-CD1 3.63Å; V1129-L1136 HydrophobicContact CG1-CG 4.21Å |
| 1130 | G | 73.5 | Confident | 79.9 | Confident | 18 Ų | 18 | 76 Ų | 76 | 19% | 0.186 | 40% | 0.399 | C | S | . | . | S | Bend | trans | 154.9 | -176.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1132 G1133 | G1130-R1132 PolarHBondContact O-N 3.3Å; G1130-G1133 PolarHBondContact O-N 3.14Å |
| 1131 | Q | 60.2 | Low | 79.8 | Confident | 160 Ų | 160 | 75 Ų | 75 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -18.7 | -174.5 | -73.6 | -175.1 | -2.4 | 0 | 0 | 114.2 | E208 | E208-Q1131 PolarHBondContact OE2-NE2 3.28Å; E208-Q1131 VanDerWaalsContact OE2-NE2 3.12Å |
| 1132 | R | 51.6 | Low | 79.9 | Confident | 234 Ų | 234 | 73.8 Ų | 73.8 | 88% | 0.883 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | 3.3 | -173.9 | -65 | -175.8 | 178 | 179.5 | -0 | 115.8 | G1130 | G1130-R1132 PolarHBondContact O-N 3.3Š|
| 1133 | G | 49.9 | Very low | 80.1 | Confident | 47 Ų | 47 | 69 Ų | 69 | 49% | 0.485 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -17.7 | -156.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | G1130 | G1130-G1133 PolarHBondContact O-N 3.14Š|
| 1134 | S | 57.3 | Low | 80.3 | Confident | 41 Ų | 41 | 63 Ų | 63 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | trans | -169.9 | 127.9 | 176.6 | 164 | 0 | 0 | 0 | 0 | 110.6 | K1128 L1136 | K1128-S1134 WeakPolarHBondContact O-CB 3.46Å; S1134-L1136 VanDerWaalsContact C-N 3.31Å; S1134-L1136 PolarHBondContact O-N 3.4Å; S1134-L1136 VanDerWaalsContact O-N 3.08Å | ||
| 1135 | K | 66.7 | Low | 80.3 | Confident | 218 Ų | 218 | 58.4 Ų | 58.4 | 95% | 0.948 | 30% | 0.296 | S | S | * | . | trans | -83.6 | 73.3 | 177.6 | -71 | -173.3 | -179.3 | -178.9 | 0 | 110.4 | ||||
| 1136 | L | 81.2 | Confident | 80.3 | Confident | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | trans | -66.4 | 139.9 | 166.2 | -64.7 | -178.2 | 0 | 0 | 0 | 110.3 | L1082 F1117 V1129 S1134 Q1140 K1141 I1144 | L1082-L1136 HydrophobicContact CD1-CD1 3.96Å; F1117-L1136 HydrophobicContact CE1-CD2 3.58Å; F1117-L1136 HydrophobicContact CZ-CD2 3.9Å; V1129-L1136 HydrophobicContact CB-CD1 4.3Å; V1129-L1136 HydrophobicContact CG1-CD1 3.63Å; V1129-L1136 HydrophobicContact CG1-CG 4.21Å; S1134-L1136 VanDerWaalsContact C-N 3.31Å; S1134-L1136 PolarHBondContact O-N 3.4Å; S1134-L1136 VanDerWaalsContact O-N 3.08Å; L1136-Q1140 HydrophobicContact CB-CB 4.15Å; L1136-Q1140 HydrophobicContact CD2-CB 4.41Å; L1136-K1141 HydrophobicContact CB-CG 3.76Å; L1136-K1141 HydrophobicContact CD1-CG 4.38Å; L1136-K1141 WeakPolarHBondContact O-CE 3.44Å; L1136-I1144 HydrophobicContact CD1-CD1 3.39Å | ||
| 1137 | S | 84.6 | Confident | 80.4 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | trans | -64.6 | 158.8 | 171.8 | 79.6 | 0 | 0 | 0 | 0 | 110.9 | G1139 Q1140 K1141 | S1137-G1139 PolarHBondContact O-N 3.26Å; S1137-Q1140 PolarHBondContact O-N 3.06Å; S1137-Q1140 VanDerWaalsContact O-N 3.1Å; S1137-Q1140 VanDerWaalsContact OG-CG 3.3Å; S1137-Q1140 WeakPolarHBondContact OG-CG 3.39Å; S1137-Q1140 PolarHBondContact OG-N 3.32Å; S1137-K1141 WeakPolarHBondContact O-CG 3.34Å; S1137-K1141 PolarHBondContact O-N 3.08Å | ||
| 1138 | G | 83.7 | Confident | 80.6 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 44% | 0.443 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -51.8 | -45.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1140 K1141 Q1142 L1166 | G1138-Q1140 PolarHBondContact O-N 3.35Å; G1138-K1141 PolarHBondContact O-N 3.11Å; G1138-Q1142 PolarHBondContact O-N 2.95Å; G1138-L1166 VanDerWaalsContact C-CD2 3.42Å |
| 1139 | G | 87.2 | Confident | 80.9 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.8 | -33.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | S1137 Q1142 R1143 L1166 | S1137-G1139 PolarHBondContact O-N 3.26Å; G1139-Q1142 PolarHBondContact O-N 2.9Å; G1139-R1143 WeakPolarHBondContact O-CG 3.39Å; G1139-R1143 PolarHBondContact O-N 3.44Å; G1139-L1166 VanDerWaalsContact CA-CD2 3.43Å |
| 1140 | Q | 89.5 | Confident | 81.3 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 16% | 0.159 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.2 | -43.9 | 173.7 | -71.2 | 163.1 | -0.2 | 0 | 0 | 111.3 | I1114 F1117 L1136 S1137 G1138 Q1142 R1143 I1144 | I1114-Q1140 HydrophobicContact CD1-CB 4.3Å; I1114-Q1140 HydrophobicContact CD1-CG 4.3Å; F1117-Q1140 HydrophobicContact CD1-CG 4.33Å; F1117-Q1140 HydrophobicContact CE1-CG 4.14Å; F1117-Q1140 HydrophobicContact CZ-CG 4.25Å; F1117-Q1140 VanDerWaalsContact CZ-NE2 3.34Å; L1136-Q1140 HydrophobicContact CB-CB 4.15Å; L1136-Q1140 HydrophobicContact CD2-CB 4.41Å; S1137-Q1140 PolarHBondContact O-N 3.06Å; S1137-Q1140 VanDerWaalsContact O-N 3.1Å; S1137-Q1140 VanDerWaalsContact OG-CG 3.3Å; S1137-Q1140 WeakPolarHBondContact OG-CG 3.39Å; S1137-Q1140 PolarHBondContact OG-N 3.32Å; G1138-Q1140 PolarHBondContact O-N 3.35Å; Q1140-Q1142 VanDerWaalsContact C-N 3.26Å; Q1140-Q1142 PolarHBondContact O-N 3.2Å; Q1140-R1143 PolarHBondContact O-N 3.46Å; Q1140-I1144 WeakPolarHBondContact O-CG1 3.5Å; Q1140-I1144 PolarHBondContact O-N 3.45Å; Q1140-I1144 VanDerWaalsContact O-N 3.09Å |
| 1141 | K | 89.3 | Confident | 82.2 | Confident | 83 Ų | 83 | 46.7 Ų | 46.7 | 36% | 0.361 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 175.5 | -63.3 | -179.9 | -177.9 | 176.8 | 0 | 111.3 | P1080 L1082 L1136 S1137 G1138 I1144 A1145 | P1080-K1141 HydrophobicContact CG-CB 3.67Å; L1082-K1141 HydrophobicContact CD1-CB 4.27Å; L1082-K1141 HydrophobicContact CD1-CG 3.96Å; L1136-K1141 HydrophobicContact CB-CG 3.76Å; L1136-K1141 HydrophobicContact CD1-CG 4.38Å; L1136-K1141 WeakPolarHBondContact O-CE 3.44Å; S1137-K1141 WeakPolarHBondContact O-CG 3.34Å; S1137-K1141 PolarHBondContact O-N 3.08Å; G1138-K1141 PolarHBondContact O-N 3.11Å; K1141-I1144 PolarHBondContact O-N 3.06Å; K1141-A1145 PolarHBondContact O-N 3.17Å |
| 1142 | Q | 89.8 | Confident | 83.5 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 179.1 | -158.5 | 65.7 | -12.9 | 0 | 0 | 112.1 | S1077 G1138 G1139 Q1140 I1144 A1145 I1146 A1162 V1174 | S1077-Q1142 PolarHBondContact O-NE2 2.82Å; G1138-Q1142 PolarHBondContact O-N 2.95Å; G1139-Q1142 PolarHBondContact O-N 2.9Å; Q1140-Q1142 VanDerWaalsContact C-N 3.26Å; Q1140-Q1142 PolarHBondContact O-N 3.2Å; Q1142-I1144 VanDerWaalsContact C-N 3.32Å; Q1142-I1144 PolarHBondContact O-N 3.39Å; Q1142-A1145 CarbonylContact O-C 3.6Å; Q1142-A1145 WeakPolarHBondContact O-CA 3.28Å; Q1142-A1145 WeakPolarHBondContact O-CB 3.39Å; Q1142-A1145 PolarHBondContact O-N 3.33Å; Q1142-I1146 WeakPolarHBondContact O-CG1 3.22Å; Q1142-I1146 PolarHBondContact O-N 3.37Å; Q1142-A1162 WeakPolarHBondContact CG-O 3.31Å; Q1142-A1162 PolarHBondContact NE2-O 3.49Å; Q1142-V1174 HydrophobicContact CB-CG1 4.37Å; Q1142-V1174 HydrophobicContact CB-CG2 4.2Å; Q1142-V1174 HydrophobicContact CG-CG1 3.84Å |
| 1143 | R | 91.8 | Very high | 85.4 | Confident | 31 Ų | 31 | 35.1 Ų | 35.1 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -35.4 | 173.6 | -70.7 | -175.9 | -77.7 | 176.9 | -6.2 | 113.3 | A1112 N1113 I1114 G1139 Q1140 A1145 I1146 A1147 V1174 | A1112-R1143 WeakPolarHBondContact CB-O 3.27Å; A1112-R1143 WeakPolarHBondContact O-CB 3.44Å; A1112-R1143 VanDerWaalsContact O-CD 3.24Å; A1112-R1143 WeakPolarHBondContact O-CD 3.36Å; A1112-R1143 VanDerWaalsContact O-CG 3.3Å; A1112-R1143 WeakPolarHBondContact O-CG 3.25Å; N1113-R1143 PolarHBondContact O-NH1 2.96Å; I1114-R1143 HydrophobicContact CB-CB 3.89Å; I1114-R1143 HydrophobicContact CD1-CB 4.04Å; I1114-R1143 HydrophobicContact CG1-CB 4.17Å; G1139-R1143 WeakPolarHBondContact O-CG 3.39Å; G1139-R1143 PolarHBondContact O-N 3.44Å; Q1140-R1143 PolarHBondContact O-N 3.46Å; R1143-A1145 VanDerWaalsContact C-N 3.32Å; R1143-I1146 PolarHBondContact O-N 3.18Å; R1143-A1147 PolarHBondContact O-N 3.49Å; R1143-V1174 HydrophobicContact CG-CG2 4.01Å |
| 1144 | I | 92.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 172.2 | -65.9 | 172.9 | 0 | 0 | 0 | 111 | L1082 I1087 N1090 I1091 I1114 L1136 Q1140 K1141 Q1142 A1147 R1148 | L1082-I1144 HydrophobicContact CD1-CD1 4.19Å; L1082-I1144 HydrophobicContact CD2-CB 4.29Å; L1082-I1144 HydrophobicContact CD2-CG2 3.74Å; I1087-I1144 HydrophobicContact CG1-CD1 4.43Å; I1087-I1144 HydrophobicContact CG2-CD1 4.38Å; N1090-I1144 HydrophobicContact CB-CG2 4.46Å; I1091-I1144 HydrophobicContact CG1-CG2 4.11Å; I1114-I1144 HydrophobicContact CG1-CG1 4.2Å; L1136-I1144 HydrophobicContact CD1-CD1 3.39Å; Q1140-I1144 WeakPolarHBondContact O-CG1 3.5Å; Q1140-I1144 PolarHBondContact O-N 3.45Å; Q1140-I1144 VanDerWaalsContact O-N 3.09Å; K1141-I1144 PolarHBondContact O-N 3.06Å; Q1142-I1144 VanDerWaalsContact C-N 3.32Å; Q1142-I1144 PolarHBondContact O-N 3.39Å; I1144-A1147 PolarHBondContact O-N 2.91Å; I1144-R1148 WeakPolarHBondContact O-CB 3.25Å; I1144-R1148 PolarHBondContact O-N 3.37Å |
| 1145 | A | 91.8 | Very high | 89 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 5% | 0.05 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -37.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1080 K1141 Q1142 R1143 R1148 A1149 | P1080-A1145 HydrophobicContact CB-CB 3.53Å; K1141-A1145 PolarHBondContact O-N 3.17Å; Q1142-A1145 CarbonylContact O-C 3.6Å; Q1142-A1145 WeakPolarHBondContact O-CA 3.28Å; Q1142-A1145 WeakPolarHBondContact O-CB 3.39Å; Q1142-A1145 PolarHBondContact O-N 3.33Å; R1143-A1145 VanDerWaalsContact C-N 3.32Å; A1145-R1148 WeakPolarHBondContact O-CB 3.3Å; A1145-R1148 PolarHBondContact O-N 3.46Å; A1145-A1149 WeakPolarHBondContact O-CB 3.29Å; A1145-A1149 PolarHBondContact O-N 3.18Å |
| 1146 | I | 92.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.4 | -48.1 | 171.7 | -64.4 | 166.5 | 0 | 0 | 0 | 109.8 | V1076 A1112 Q1142 R1143 R1148 A1149 L1150 V1174 A1177 L1178 A1181 | V1076-I1146 HydrophobicContact CG1-CG1 4.14Å; V1076-I1146 HydrophobicContact CG2-CG1 4.09Å; A1112-I1146 HydrophobicContact CB-CB 4.05Å; A1112-I1146 HydrophobicContact CB-CG2 3.83Å; Q1142-I1146 WeakPolarHBondContact O-CG1 3.22Å; Q1142-I1146 PolarHBondContact O-N 3.37Å; R1143-I1146 PolarHBondContact O-N 3.18Å; I1146-R1148 VanDerWaalsContact C-N 3.32Å; I1146-R1148 PolarHBondContact O-N 3.1Å; I1146-A1149 PolarHBondContact O-N 2.86Å; I1146-A1149 VanDerWaalsContact O-N 3.11Å; I1146-L1150 HydrophobicContact CG2-CD1 3.9Å; I1146-L1150 HydrophobicContact CG2-CG 4.33Å; I1146-L1150 WeakPolarHBondContact O-CG 3.03Å; I1146-L1150 PolarHBondContact O-N 3.21Å; I1146-V1174 HydrophobicContact CD1-CG1 4.13Å; I1146-A1177 HydrophobicContact CD1-CB 4.18Å; I1146-L1178 HydrophobicContact CD1-CD2 3.55Å; I1146-L1178 HydrophobicContact CD1-CG 3.83Å; I1146-L1178 HydrophobicContact CG1-CD2 3.81Å; I1146-A1181 HydrophobicContact CG2-CB 4.26Å |
| 1147 | A | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1091 A1108 A1112 R1143 I1144 A1149 L1150 V1151 | I1091-A1147 HydrophobicContact CD1-CB 4.13Å; I1091-A1147 HydrophobicContact CG1-CB 4.08Å; I1091-A1147 HydrophobicContact CG2-CB 4.22Å; A1108-A1147 HydrophobicContact CB-CB 4.46Å; A1112-A1147 HydrophobicContact CB-CB 3.82Å; R1143-A1147 PolarHBondContact O-N 3.49Å; I1144-A1147 PolarHBondContact O-N 2.91Å; A1147-A1149 VanDerWaalsContact C-N 3.32Å; A1147-A1149 PolarHBondContact O-N 2.98Å; A1147-L1150 PolarHBondContact O-N 3.24Å; A1147-L1150 VanDerWaalsContact O-N 3.15Å; A1147-V1151 WeakPolarHBondContact O-CG2 3.42Å; A1147-V1151 PolarHBondContact O-N 3.26Å |
| 1148 | R | 93.7 | Very high | 91.2 | Very high | 5 Ų | 5 | 20.3 Ų | 20.3 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.7 | -42.1 | 174.8 | -176 | -169.8 | -59.2 | 169.9 | 3.6 | 112.3 | F216 T1081 N1090 G1094 I1144 A1145 I1146 | F216-R1148 HydrophobicContact CD1-CG 4.31Å; F216-R1148 HydrophobicContact CE1-CG 3.8Å; F216-R1148 HydrophobicContact CE2-CG 4.46Å; F216-R1148 HydrophobicContact CZ-CG 3.9Å; T1081-R1148 PolarHBondContact O-NH1 2.89Å; T1081-R1148 PolarHBondContact O-NH2 3.29Å; N1090-R1148 WeakPolarHBondContact O-CG 3.42Å; N1090-R1148 PolarHBondContact O-NE 3.43Å; N1090-R1148 PolarHBondContact OD1-NH2 3.46Å; G1094-R1148 WeakPolarHBondContact CA-O 3.48Å; I1144-R1148 WeakPolarHBondContact O-CB 3.25Å; I1144-R1148 PolarHBondContact O-N 3.37Å; A1145-R1148 WeakPolarHBondContact O-CB 3.3Å; A1145-R1148 PolarHBondContact O-N 3.46Å; I1146-R1148 VanDerWaalsContact C-N 3.32Å; I1146-R1148 PolarHBondContact O-N 3.1Å |
| 1149 | A | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.6 | -35.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1076 A1145 I1146 A1147 R1152 P1154 L1157 | V1076-A1149 HydrophobicContact CG2-CB 3.98Å; A1145-A1149 WeakPolarHBondContact O-CB 3.29Å; A1145-A1149 PolarHBondContact O-N 3.18Å; I1146-A1149 PolarHBondContact O-N 2.86Å; I1146-A1149 VanDerWaalsContact O-N 3.11Å; A1147-A1149 VanDerWaalsContact C-N 3.32Å; A1147-A1149 PolarHBondContact O-N 2.98Å; A1149-R1152 WeakPolarHBondContact O-CG 3.49Å; A1149-P1154 VanDerWaalsContact O-CD 3.3Å; A1149-P1154 WeakPolarHBondContact O-CD 3.37Å; A1149-P1154 WeakPolarHBondContact O-CG 3.23Å; A1149-L1157 HydrophobicContact CB-CD1 4.38Å |
| 1150 | L | 92.9 | Very high | 91.7 | Very high | 13 Ų | 13 | 19.6 Ų | 19.6 | 7% | 0.068 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -78.3 | -28.9 | -176.9 | -71.9 | 177.6 | 0 | 0 | 0 | 114.4 | A1108 A1111 I1146 A1147 R1152 K1153 A1181 | A1108-L1150 HydrophobicContact CB-CB 4.35Å; A1111-L1150 HydrophobicContact CB-CD1 3.79Å; I1146-L1150 HydrophobicContact CG2-CD1 3.9Å; I1146-L1150 HydrophobicContact CG2-CG 4.33Å; I1146-L1150 WeakPolarHBondContact O-CG 3.03Å; I1146-L1150 PolarHBondContact O-N 3.21Å; A1147-L1150 PolarHBondContact O-N 3.24Å; A1147-L1150 VanDerWaalsContact O-N 3.15Å; L1150-R1152 PolarHBondContact O-N 2.73Å; L1150-R1152 VanDerWaalsContact O-N 3.16Å; L1150-K1153 WeakPolarHBondContact O-CA 3.43Å; L1150-K1153 PolarHBondContact O-N 3.34Å; L1150-A1181 HydrophobicContact CD1-CB 4.12Å; L1150-A1181 HydrophobicContact CD2-CB 3.96Å; L1150-A1181 HydrophobicContact CG-CB 4.39Å |
| 1151 | V | 92.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.03 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -52.8 | -38.4 | -179.6 | 163.1 | 0 | 0 | 0 | 0 | 112.9 | I1091 D1095 V1100 A1108 A1147 K1153 | I1091-V1151 HydrophobicContact CG2-CG2 3.39Å; D1095-V1151 HydrophobicContact CB-CG1 4.33Å; V1100-V1151 HydrophobicContact CB-CG1 4.34Å; V1100-V1151 HydrophobicContact CG1-CG1 3.58Å; V1100-V1151 HydrophobicContact CG2-CG1 3.8Å; A1108-V1151 HydrophobicContact CB-CB 4.49Å; A1108-V1151 HydrophobicContact CB-CG2 3.49Å; A1108-V1151 VanDerWaalsContact CB-CG2 3.49Å; A1147-V1151 WeakPolarHBondContact O-CG2 3.42Å; A1147-V1151 PolarHBondContact O-N 3.26Å; V1151-K1153 PolarHBondContact O-N 3.27Å |
| 1152 | R | 88.6 | Confident | 91.3 | Very high | 32 Ų | 32 | 15.6 Ų | 15.6 | 12% | 0.121 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -3.1 | 178.8 | 64.1 | 172.4 | 55 | -176.6 | -14.5 | 114.4 | F216 R1070 I1073 G1094 D1095 A1149 L1150 P1154 | F216-R1152 VanDerWaalsContact CD1-NH2 3.34Å; F216-R1152 PolarHBondContact O-NH2 2.85Å; R1070-R1152 PolarHBondContact O-NH1 2.93Å; I1073-R1152 WeakPolarHBondContact O-CD 3.43Å; I1073-R1152 PolarHBondContact O-NH1 3.4Å; G1094-R1152 PolarHBondContact O-NE 3.43Å; G1094-R1152 PolarHBondContact O-NH2 3.48Å; D1095-R1152 HydrophobicContact CB-CB 4.26Å; A1149-R1152 WeakPolarHBondContact O-CG 3.49Å; L1150-R1152 PolarHBondContact O-N 2.73Å; L1150-R1152 VanDerWaalsContact O-N 3.16Å; R1152-P1154 HydrophobicContact CG-CB 4.34Å |
| 1153 | K | 89.6 | Confident | 91 | Very high | 119 Ų | 119 | 15.7 Ų | 15.7 | 52% | 0.517 | 8% | 0.076 | S | C | . | . | trans | 50.1 | 62.3 | -175.5 | -62 | -179.4 | 177.3 | -179.8 | 0 | 112.1 | E1107 L1150 V1151 | E1107-K1153 IonicContact OE2-NZ 3.5Å; L1150-K1153 WeakPolarHBondContact O-CA 3.43Å; L1150-K1153 PolarHBondContact O-N 3.34Å; V1151-K1153 PolarHBondContact O-N 3.27Å | ||
| 1154 | P | 91.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 3% | 0.026 | 8% | 0.078 | C | C | . | . | trans | -69.6 | 148.7 | -172.5 | 31.5 | -35.8 | 0 | 0 | 0 | 111.9 | G1074 A1149 R1152 L1157 R1185 | G1074-P1154 VanDerWaalsContact N-CB 3.26Å; A1149-P1154 VanDerWaalsContact O-CD 3.3Å; A1149-P1154 WeakPolarHBondContact O-CD 3.37Å; A1149-P1154 WeakPolarHBondContact O-CG 3.23Å; R1152-P1154 HydrophobicContact CG-CB 4.34Å; P1154-L1157 HydrophobicContact CG-CD1 4.49Å; P1154-R1185 WeakPolarHBondContact O-CD 3.45Å | ||
| 1155 | V | 91.7 | Very high | 89.2 | Confident | 45 Ų | 45 | 19.9 Ų | 19.9 | 27% | 0.273 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -81.7 | -33.4 | 172.5 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | F987 Q1072 T1186 | F987-V1155 HydrophobicContact CD1-CB 4.01Å; F987-V1155 HydrophobicContact CD1-CG1 3.93Å; F987-V1155 HydrophobicContact CE1-CG1 4.4Å; Q1072-V1155 PolarHBondContact O-N 2.98Å; Q1072-V1155 VanDerWaalsContact O-N 3.17Å; V1155-T1186 PolarHBondContact O-N 3.06Å; V1155-T1186 VanDerWaalsContact O-N 3.15Å |
| 1156 | L | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.9 | 178 | 175.6 | 58.4 | 0 | 0 | 0 | 110.2 | F987 I991 V1039 F1056 Q1072 I1073 G1074 V1158 T1186 L1188 | F987-L1156 HydrophobicContact CE1-CB 4.12Å; I991-L1156 HydrophobicContact CD1-CD1 3.61Å; I991-L1156 HydrophobicContact CD1-CD2 3.34Å; I991-L1156 HydrophobicContact CD1-CG 4.12Å; I991-L1156 HydrophobicContact CG1-CD2 4.24Å; V1039-L1156 HydrophobicContact CG1-CD2 3.71Å; F1056-L1156 HydrophobicContact CZ-CD2 3.94Å; Q1072-L1156 PolarHBondContact O-N 3.44Å; I1073-L1156 CarbonylContact C-O 3.58Å; I1073-L1156 VanDerWaalsContact CA-O 3.3Å; I1073-L1156 WeakPolarHBondContact CA-O 3.37Å; I1073-L1156 HydrophobicContact CD1-CD2 4.36Å; I1073-L1156 HydrophobicContact CG1-CB 4.43Å; I1073-L1156 HydrophobicContact CG1-CD2 4.06Å; I1073-L1156 HydrophobicContact CG1-CG 4.46Å; G1074-L1156 PolarHBondContact N-O 3.33Å; L1156-V1158 HydrophobicContact CD2-CG2 4.38Å; L1156-V1158 HydrophobicContact CG-CG2 4.14Å; L1156-T1186 CarbonylContact C-O 2.94Å; L1156-T1186 VanDerWaalsContact CA-O 3.31Å; L1156-T1186 WeakPolarHBondContact CA-O 3.41Å; L1156-T1186 HydrophobicContact CD1-CG2 4.01Å; L1156-T1186 WeakPolarHBondContact CD1-O 3.33Å; L1156-L1188 HydrophobicContact CD1-CD1 4.48Å; L1156-L1188 HydrophobicContact CD1-CG 4.32Å |
| 1157 | L | 93.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.1 | 172.2 | -166.3 | 65.9 | 0 | 0 | 0 | 109.4 | A1149 P1154 L1159 A1181 M1182 T1186 S1187 L1188 | A1149-L1157 HydrophobicContact CB-CD1 4.38Å; P1154-L1157 HydrophobicContact CG-CD1 4.49Å; L1157-L1159 HydrophobicContact CD1-CD2 4.32Å; L1157-L1159 HydrophobicContact CD2-CD1 4.32Å; L1157-L1159 HydrophobicContact CD2-CD2 3.93Å; L1157-L1159 HydrophobicContact CD2-CG 4.28Å; L1157-L1159 HydrophobicContact CG-CD2 3.78Å; L1157-L1159 HydrophobicContact CG-CG 4.17Å; L1157-A1181 HydrophobicContact CD2-CB 3.97Å; L1157-M1182 HydrophobicContact CD2-CG 4.04Å; L1157-T1186 PolarHBondContact N-O 3.04Å; L1157-S1187 CarbonylContact O-C 3.6Å; L1157-S1187 WeakPolarHBondContact O-CA 3.39Å; L1157-L1188 PolarHBondContact O-N 2.98Å |
| 1158 | V | 93.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 114.4 | 178.4 | 172.8 | 0 | 0 | 0 | 0 | 108.1 | L1036 V1039 I1073 G1074 L1075 V1076 L1156 | L1036-V1158 HydrophobicContact CB-CG1 3.87Å; L1036-V1158 HydrophobicContact CD1-CG1 3.74Å; L1036-V1158 HydrophobicContact CD2-CG1 3.87Å; L1036-V1158 HydrophobicContact CG-CG1 4.02Å; V1039-V1158 HydrophobicContact CG1-CG2 4.49Å; I1073-V1158 HydrophobicContact CG2-CB 4.08Å; I1073-V1158 HydrophobicContact CG2-CG2 3.6Å; G1074-V1158 PolarHBondContact O-N 3.41Å; L1075-V1158 HydrophobicContact CD1-CB 4.3Å; L1075-V1158 HydrophobicContact CD1-CG1 3.88Å; V1076-V1158 PolarHBondContact N-O 3.48Å; L1156-V1158 HydrophobicContact CD2-CG2 4.38Å; L1156-V1158 HydrophobicContact CG-CG2 4.14Å |
| 1159 | L | 91.8 | Very high | 86.8 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 110.5 | -178.3 | -54.5 | -178.2 | 0 | 0 | 0 | 108.5 | V1076 L1157 L1178 M1182 L1188 V1189 V1190 | V1076-L1159 HydrophobicContact CB-CD2 3.66Å; V1076-L1159 HydrophobicContact CG2-CD2 3.68Å; L1157-L1159 HydrophobicContact CD1-CD2 4.32Å; L1157-L1159 HydrophobicContact CD2-CD1 4.32Å; L1157-L1159 HydrophobicContact CD2-CD2 3.93Å; L1157-L1159 HydrophobicContact CD2-CG 4.28Å; L1157-L1159 HydrophobicContact CG-CD2 3.78Å; L1157-L1159 HydrophobicContact CG-CG 4.17Å; L1159-L1178 HydrophobicContact CD1-CB 4.49Å; L1159-L1178 HydrophobicContact CD1-CD2 3.88Å; L1159-L1178 HydrophobicContact CD2-CD2 3.66Å; L1159-L1178 HydrophobicContact CG-CD2 4.41Å; L1159-M1182 HydrophobicContact CD1-CG 4.07Å; L1159-M1182 HydrophobicContact CD1-SD 3.89Å; L1159-L1188 PolarHBondContact N-O 3.41Å; L1159-V1189 HydrophobicContact CB-CG1 4.21Å; L1159-V1189 HydrophobicContact CB-CG2 4.38Å; L1159-V1189 HydrophobicContact CD1-CG1 4.43Å; L1159-V1189 HydrophobicContact CD1-CG2 3.93Å; L1159-V1189 HydrophobicContact CG-CG2 4.43Å; L1159-V1190 PolarHBondContact O-N 3.38Å |
| 1160 | D | 90.4 | Very high | 86.3 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 96.6 | -179.9 | -165 | 16.8 | 0 | 0 | 0 | 109.2 | S1033 L1036 V1076 S1077 Q1078 A1162 | S1033-D1160 WeakPolarHBondContact CB-OD1 3.43Å; S1033-D1160 PolarHBondContact OG-OD1 3.3Å; L1036-D1160 HydrophobicContact CD1-CB 3.6Å; V1076-D1160 PolarHBondContact O-N 3.25Å; S1077-D1160 CarbonylContact C-O 3.55Å; Q1078-D1160 VanDerWaalsContact CA-O 3.28Å; Q1078-D1160 WeakPolarHBondContact CA-O 3.38Å; Q1078-D1160 PolarHBondContact N-O 3.04Å; D1160-A1162 PolarHBondContact O-N 2.98Å; D1160-A1162 VanDerWaalsContact O-N 3.14Å |
| 1161 | E | 86.7 | Confident | 85.9 | Confident | 27 Ų | 27 | 38.7 Ų | 38.7 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 51.1 | 39.6 | 178 | -60.7 | -172.3 | 176.2 | 0 | 0 | 114 | Q1078 T1163 S1164 V1190 | Q1078-E1161 HydrophobicContact CB-CB 4.33Å; Q1078-E1161 HydrophobicContact CG-CB 4.02Å; Q1078-E1161 PolarHBondContact NE2-OE2 3.18Å; E1161-T1163 PolarHBondContact O-N 2.92Å; E1161-S1164 WeakPolarHBondContact O-CB 3.18Å; E1161-S1164 PolarHBondContact O-N 3.46Å; E1161-S1164 PolarHBondContact O-OG 2.95Å; E1161-V1190 VanDerWaalsContact CA-O 3.3Å; E1161-V1190 WeakPolarHBondContact CA-O 3.29Å; E1161-V1190 HydrophobicContact CG-CG1 3.85Å; E1161-V1190 PolarHBondContact N-O 3.36Å |
| 1162 | A | 83.6 | Confident | 85.5 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1076 Q1142 D1160 L1178 | V1076-A1162 HydrophobicContact CG1-CB 3.87Å; Q1142-A1162 WeakPolarHBondContact CG-O 3.31Å; Q1142-A1162 PolarHBondContact NE2-O 3.49Å; D1160-A1162 PolarHBondContact O-N 2.98Å; D1160-A1162 VanDerWaalsContact O-N 3.14Å; A1162-L1178 HydrophobicContact CB-CD1 3.85Å; A1162-L1178 HydrophobicContact CB-CD2 4.48Å |
| 1163 | T | 83.5 | Confident | 85.4 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -1 | 178.1 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | E1161 E1171 V1174 L1178 T1196 | E1161-T1163 PolarHBondContact O-N 2.92Å; T1163-E1171 HydrophobicContact CG2-CG 4.4Å; T1163-V1174 HydrophobicContact CG2-CG1 4.39Å; T1163-L1178 HydrophobicContact CG2-CD1 3.98Å; T1163-T1196 HydrophobicContact CG2-CG2 3.95Å |
| 1164 | S | 73.8 | Confident | 85.4 | Confident | 23 Ų | 23 | 41 Ų | 41 | 16% | 0.161 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 147.9 | 177.7 | 68.8 | 0 | 0 | 0 | 0 | 111 | Q1078 E1161 L1166 | Q1078-S1164 WeakPolarHBondContact CG-OG 3.46Å; Q1078-S1164 PolarHBondContact NE2-OG 3.45Å; E1161-S1164 WeakPolarHBondContact O-CB 3.18Å; E1161-S1164 PolarHBondContact O-N 3.46Å; E1161-S1164 PolarHBondContact O-OG 2.95Å; S1164-L1166 VanDerWaalsContact C-N 3.25Å; S1164-L1166 PolarHBondContact O-N 3.1Å |
| 1165 | A | 70.7 | Confident | 85.1 | Confident | 96 Ų | 96 | 42.1 Ų | 42.1 | 79% | 0.793 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 17.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1166 | L | 80.1 | Confident | 84.8 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | trans | -94.2 | 147.3 | 169.9 | -61.4 | -179.7 | 0 | 0 | 0 | 111.5 | G1138 G1139 S1164 E1171 V1174 | G1138-L1166 VanDerWaalsContact C-CD2 3.42Å; G1139-L1166 VanDerWaalsContact CA-CD2 3.43Å; S1164-L1166 VanDerWaalsContact C-N 3.25Å; S1164-L1166 PolarHBondContact O-N 3.1Å; L1166-E1171 HydrophobicContact CB-CB 4.07Å; L1166-V1174 HydrophobicContact CD1-CB 3.83Å; L1166-V1174 HydrophobicContact CD1-CG1 3.93Å; L1166-V1174 HydrophobicContact CD1-CG2 3.76Å | ||
| 1167 | D | 82.5 | Confident | 84.6 | Confident | 96 Ų | 96 | 44.6 Ų | 44.6 | 51% | 0.513 | 23% | 0.233 | S | C | . | . | trans | -69.8 | 157.8 | 164.9 | 59.2 | 22.1 | 0 | 0 | 0 | 110.2 | E1169 S1170 E1171 | D1167-E1169 PolarHBondContact O-N 2.81Å; D1167-E1169 VanDerWaalsContact O-N 3.15Å; D1167-S1170 PolarHBondContact O-N 2.95Å; D1167-S1170 WeakPolarHBondContact OD1-CA 3.44Å; D1167-S1170 WeakPolarHBondContact OD1-CB 3.47Å; D1167-S1170 PolarHBondContact OD1-N 3.15Å; D1167-S1170 PolarHBondContact OD1-OG 3.29Å; D1167-E1171 WeakPolarHBondContact O-CB 3.5Å; D1167-E1171 PolarHBondContact O-N 3.36Å | ||
| 1168 | N | 79.3 | Confident | 84.4 | Confident | 123 Ų | 123 | 44.8 Ų | 44.8 | 66% | 0.658 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -59.4 | -31.3 | -172.6 | -65.2 | -6 | 0 | 0 | 0 | 112.9 | R1172 | N1168-R1172 PolarHBondContact O-N 3.46Å |
| 1169 | E | 80.9 | Confident | 84 | Confident | 143 Ų | 143 | 47.2 Ų | 47.2 | 67% | 0.668 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -73 | -49.1 | 177.8 | -171.1 | 179.8 | 176.9 | 0 | 0 | 111.8 | D1167 E1171 R1172 I1173 | D1167-E1169 PolarHBondContact O-N 2.81Å; D1167-E1169 VanDerWaalsContact O-N 3.15Å; E1169-E1171 VanDerWaalsContact C-N 3.29Å; E1169-E1171 PolarHBondContact O-N 2.88Å; E1169-R1172 PolarHBondContact O-N 2.84Å; E1169-I1173 WeakPolarHBondContact O-CG1 3.35Å; E1169-I1173 PolarHBondContact O-N 3.15Å |
| 1170 | S | 83.6 | Confident | 83.7 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.6 | -35.7 | 176.6 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | D1167 I1173 V1174 | D1167-S1170 PolarHBondContact O-N 2.95Å; D1167-S1170 WeakPolarHBondContact OD1-CA 3.44Å; D1167-S1170 WeakPolarHBondContact OD1-CB 3.47Å; D1167-S1170 PolarHBondContact OD1-N 3.15Å; D1167-S1170 PolarHBondContact OD1-OG 3.29Å; S1170-I1173 PolarHBondContact O-N 3.45Å; S1170-V1174 WeakPolarHBondContact O-CB 3.38Å; S1170-V1174 VanDerWaalsContact O-CG2 3.23Å; S1170-V1174 WeakPolarHBondContact O-CG2 3.11Å; S1170-V1174 PolarHBondContact O-N 3.26Å |
| 1171 | E | 84 | Confident | 83.5 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 11% | 0.107 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58 | -49.7 | 176 | 179 | -171.7 | -160.8 | 0 | 0 | 111 | T1163 L1166 D1167 E1169 I1173 V1174 Q1175 R1193 | T1163-E1171 HydrophobicContact CG2-CG 4.4Å; L1166-E1171 HydrophobicContact CB-CB 4.07Å; D1167-E1171 WeakPolarHBondContact O-CB 3.5Å; D1167-E1171 PolarHBondContact O-N 3.36Å; E1169-E1171 VanDerWaalsContact C-N 3.29Å; E1169-E1171 PolarHBondContact O-N 2.88Å; E1171-I1173 VanDerWaalsContact C-N 3.31Å; E1171-I1173 PolarHBondContact O-N 3.27Å; E1171-V1174 PolarHBondContact O-N 2.94Å; E1171-Q1175 VanDerWaalsContact O-CB 3.29Å; E1171-Q1175 WeakPolarHBondContact O-CB 3.33Å; E1171-Q1175 PolarHBondContact O-N 3.43Å; E1171-R1193 WeakPolarHBondContact OE1-CD 3.12Å; E1171-R1193 IonicContact OE1-CZ 2.89Å; E1171-R1193 IonicContact OE1-NE 2.95Å; E1171-R1193 IonicContact OE1-NH1 3.88Å; E1171-R1193 PolarHBondContact OE1-NH1 3.14Å; E1171-R1193 IonicContact OE2-CZ 3.61Å; E1171-R1193 IonicContact OE2-NH1 2.64Å; E1171-R1193 PolarHBondContact OE2-NH1 3.41Å |
| 1172 | R | 84.8 | Confident | 83.5 | Confident | 162 Ų | 162 | 48.6 Ų | 48.6 | 61% | 0.611 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57.4 | -46.1 | 179.6 | -170.1 | -177.7 | 70.3 | 160.9 | 2.1 | 111.5 | N1168 E1169 Q1175 E1176 | N1168-R1172 PolarHBondContact O-N 3.46Å; E1169-R1172 PolarHBondContact O-N 2.84Å; R1172-Q1175 PolarHBondContact O-N 2.95Å; R1172-E1176 WeakPolarHBondContact O-CG 3.42Å; R1172-E1176 PolarHBondContact O-N 3.22Å |
| 1173 | I | 86.3 | Confident | 83.4 | Confident | 43 Ų | 43 | 51 Ų | 51 | 22% | 0.221 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.9 | -39.8 | -179.3 | -59.2 | 168.1 | 0 | 0 | 0 | 111.3 | E1169 S1170 E1171 A1177 | E1169-I1173 WeakPolarHBondContact O-CG1 3.35Å; E1169-I1173 PolarHBondContact O-N 3.15Å; S1170-I1173 PolarHBondContact O-N 3.45Å; E1171-I1173 VanDerWaalsContact C-N 3.31Å; E1171-I1173 PolarHBondContact O-N 3.27Å; I1173-A1177 PolarHBondContact O-N 3.41Å |
| 1174 | V | 87.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 175.9 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | Q1142 R1143 I1146 T1163 L1166 S1170 E1171 A1177 L1178 | Q1142-V1174 HydrophobicContact CB-CG1 4.37Å; Q1142-V1174 HydrophobicContact CB-CG2 4.2Å; Q1142-V1174 HydrophobicContact CG-CG1 3.84Å; R1143-V1174 HydrophobicContact CG-CG2 4.01Å; I1146-V1174 HydrophobicContact CD1-CG1 4.13Å; T1163-V1174 HydrophobicContact CG2-CG1 4.39Å; L1166-V1174 HydrophobicContact CD1-CB 3.83Å; L1166-V1174 HydrophobicContact CD1-CG1 3.93Å; L1166-V1174 HydrophobicContact CD1-CG2 3.76Å; S1170-V1174 WeakPolarHBondContact O-CB 3.38Å; S1170-V1174 VanDerWaalsContact O-CG2 3.23Å; S1170-V1174 WeakPolarHBondContact O-CG2 3.11Å; S1170-V1174 PolarHBondContact O-N 3.26Å; E1171-V1174 PolarHBondContact O-N 2.94Å; V1174-A1177 WeakPolarHBondContact O-CB 3.45Å; V1174-A1177 PolarHBondContact O-N 3.43Å; V1174-L1178 HydrophobicContact CG1-CD1 4.08Å; V1174-L1178 HydrophobicContact CG1-CG 4.31Å; V1174-L1178 WeakPolarHBondContact O-CG 3.42Å; V1174-L1178 PolarHBondContact O-N 3.4Å |
| 1175 | Q | 86.2 | Confident | 84 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 178.4 | -172.3 | 60.4 | 29.4 | 0 | 0 | 111.3 | E1171 R1172 A1177 L1178 D1179 | E1171-Q1175 VanDerWaalsContact O-CB 3.29Å; E1171-Q1175 WeakPolarHBondContact O-CB 3.33Å; E1171-Q1175 PolarHBondContact O-N 3.43Å; R1172-Q1175 PolarHBondContact O-N 2.95Å; Q1175-A1177 VanDerWaalsContact C-N 3.26Å; Q1175-A1177 PolarHBondContact O-N 2.87Å; Q1175-L1178 PolarHBondContact O-N 3.04Å; Q1175-L1178 VanDerWaalsContact O-N 3.08Å; Q1175-D1179 PolarHBondContact NE2-OD1 3.16Å; Q1175-D1179 PolarHBondContact O-N 2.69Å |
| 1176 | E | 86.3 | Confident | 85.1 | Confident | 98 Ų | 98 | 53.8 Ų | 53.8 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57 | -40.9 | 173.1 | -74.1 | 170.6 | -168.9 | 0 | 0 | 111.7 | R1172 A1180 | R1172-E1176 WeakPolarHBondContact O-CG 3.42Å; R1172-E1176 PolarHBondContact O-N 3.22Å; E1176-A1180 WeakPolarHBondContact O-CB 3.45Å; E1176-A1180 PolarHBondContact O-N 3.38Å; E1176-A1180 VanDerWaalsContact O-N 3.07Å |
| 1177 | A | 87.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.5 | -35.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1113 I1146 I1173 V1174 Q1175 A1181 | N1113-A1177 HydrophobicContact CB-CB 4.4Å; I1146-A1177 HydrophobicContact CD1-CB 4.18Å; I1173-A1177 PolarHBondContact O-N 3.41Å; V1174-A1177 WeakPolarHBondContact O-CB 3.45Å; V1174-A1177 PolarHBondContact O-N 3.43Å; Q1175-A1177 VanDerWaalsContact C-N 3.26Å; Q1175-A1177 PolarHBondContact O-N 2.87Å; A1177-A1181 VanDerWaalsContact O-CB 3.27Å; A1177-A1181 WeakPolarHBondContact O-CB 3.44Å; A1177-A1181 PolarHBondContact O-N 2.74Å |
| 1178 | L | 88.1 | Confident | 86.2 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.1 | -44.3 | 175.4 | -72.5 | 175.1 | 0 | 0 | 0 | 111.6 | I1146 L1159 A1162 T1163 V1174 Q1175 A1180 A1181 M1182 | I1146-L1178 HydrophobicContact CD1-CD2 3.55Å; I1146-L1178 HydrophobicContact CD1-CG 3.83Å; I1146-L1178 HydrophobicContact CG1-CD2 3.81Å; L1159-L1178 HydrophobicContact CD1-CB 4.49Å; L1159-L1178 HydrophobicContact CD1-CD2 3.88Å; L1159-L1178 HydrophobicContact CD2-CD2 3.66Å; L1159-L1178 HydrophobicContact CG-CD2 4.41Å; A1162-L1178 HydrophobicContact CB-CD1 3.85Å; A1162-L1178 HydrophobicContact CB-CD2 4.48Å; T1163-L1178 HydrophobicContact CG2-CD1 3.98Å; V1174-L1178 HydrophobicContact CG1-CD1 4.08Å; V1174-L1178 HydrophobicContact CG1-CG 4.31Å; V1174-L1178 WeakPolarHBondContact O-CG 3.42Å; V1174-L1178 PolarHBondContact O-N 3.4Å; Q1175-L1178 PolarHBondContact O-N 3.04Å; Q1175-L1178 VanDerWaalsContact O-N 3.08Å; L1178-A1180 VanDerWaalsContact C-N 3.33Å; L1178-A1180 PolarHBondContact O-N 3.46Å; L1178-A1181 CarbonylContact O-C 3.5Å; L1178-A1181 WeakPolarHBondContact O-CA 3.45Å; L1178-A1181 WeakPolarHBondContact O-CB 3.3Å; L1178-A1181 PolarHBondContact O-N 3.41Å; L1178-A1181 VanDerWaalsContact O-N 3.09Å; L1178-M1182 WeakPolarHBondContact O-CG 3.46Å; L1178-M1182 PolarHBondContact O-N 3Å |
| 1179 | D | 86.4 | Confident | 86.8 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 177.6 | -70 | -14.4 | 0 | 0 | 0 | 110.7 | Q1175 A1181 M1182 G1183 | Q1175-D1179 PolarHBondContact NE2-OD1 3.16Å; Q1175-D1179 PolarHBondContact O-N 2.69Å; D1179-A1181 VanDerWaalsContact C-N 3.32Å; D1179-A1181 PolarHBondContact O-N 3.36Å; D1179-M1182 PolarHBondContact O-N 3.48Å; D1179-M1182 WeakPolarHBondContact OD1-CE 3.05Å; D1179-G1183 PolarHBondContact O-N 3.33Å |
| 1180 | A | 85.7 | Confident | 87.2 | Confident | 66 Ų | 66 | 36.4 Ų | 36.4 | 55% | 0.545 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.7 | -36.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1176 L1178 | E1176-A1180 WeakPolarHBondContact O-CB 3.45Å; E1176-A1180 PolarHBondContact O-N 3.38Å; E1176-A1180 VanDerWaalsContact O-N 3.07Å; L1178-A1180 VanDerWaalsContact C-N 3.33Å; L1178-A1180 PolarHBondContact O-N 3.46Å |
| 1181 | A | 86.3 | Confident | 87 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.9 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1146 L1150 L1157 A1177 L1178 D1179 R1185 | I1146-A1181 HydrophobicContact CG2-CB 4.26Å; L1150-A1181 HydrophobicContact CD1-CB 4.12Å; L1150-A1181 HydrophobicContact CD2-CB 3.96Å; L1150-A1181 HydrophobicContact CG-CB 4.39Å; L1157-A1181 HydrophobicContact CD2-CB 3.97Å; A1177-A1181 VanDerWaalsContact O-CB 3.27Å; A1177-A1181 WeakPolarHBondContact O-CB 3.44Å; A1177-A1181 PolarHBondContact O-N 2.74Å; L1178-A1181 CarbonylContact O-C 3.5Å; L1178-A1181 WeakPolarHBondContact O-CA 3.45Å; L1178-A1181 WeakPolarHBondContact O-CB 3.3Å; L1178-A1181 PolarHBondContact O-N 3.41Å; L1178-A1181 VanDerWaalsContact O-N 3.09Å; D1179-A1181 VanDerWaalsContact C-N 3.32Å; D1179-A1181 PolarHBondContact O-N 3.36Å; A1181-R1185 WeakPolarHBondContact O-CD 3.15Å; A1181-R1185 PolarHBondContact O-NH1 3.27Å |
| 1182 | M | 85.8 | Confident | 86.6 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.6 | -51.2 | 179.4 | -73.4 | -173.1 | -66.3 | 0 | 0 | 110.8 | T1021 L1157 L1159 L1178 D1179 S1184 R1185 V1189 | T1021-M1182 HydrophobicContact CG2-SD 3.78Å; L1157-M1182 HydrophobicContact CD2-CG 4.04Å; L1159-M1182 HydrophobicContact CD1-CG 4.07Å; L1159-M1182 HydrophobicContact CD1-SD 3.89Å; L1178-M1182 WeakPolarHBondContact O-CG 3.46Å; L1178-M1182 PolarHBondContact O-N 3Å; D1179-M1182 PolarHBondContact O-N 3.48Å; D1179-M1182 WeakPolarHBondContact OD1-CE 3.05Å; M1182-S1184 PolarHBondContact O-N 3.23Å; M1182-R1185 WeakPolarHBondContact O-CB 3.48Å; M1182-R1185 PolarHBondContact O-N 3.48Å; M1182-V1189 HydrophobicContact SD-CG2 3.74Å |
| 1183 | G | 80.6 | Confident | 86 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 58% | 0.577 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 36.7 | -118.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1179 | D1179-G1183 PolarHBondContact O-N 3.33Š|
| 1184 | S | 81.5 | Confident | 85.3 | Confident | 110 Ų | 110 | 34 Ų | 34 | 77% | 0.769 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 8.8 | 177.7 | 58.5 | 0 | 0 | 0 | 0 | 114.8 | M1182 | M1182-S1184 PolarHBondContact O-N 3.23Š|
| 1185 | R | 89.6 | Confident | 84.6 | Confident | 72 Ų | 72 | 37.6 Ų | 37.6 | 27% | 0.272 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -88.1 | 150.4 | -176.9 | -60.2 | 176.9 | -179 | 79.7 | 5.7 | 110.2 | P1154 A1181 M1182 S1187 | P1154-R1185 WeakPolarHBondContact O-CD 3.45Å; A1181-R1185 WeakPolarHBondContact O-CD 3.15Å; A1181-R1185 PolarHBondContact O-NH1 3.27Å; M1182-R1185 WeakPolarHBondContact O-CB 3.48Å; M1182-R1185 PolarHBondContact O-N 3.48Å; R1185-S1187 PolarHBondContact O-N 3.36Å; R1185-S1187 PolarHBondContact O-OG 2.99Å |
| 1186 | T | 93 | Very high | 83.9 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 127.6 | 169.8 | -48 | 0 | 0 | 0 | 0 | 107.8 | G989 V1016 G1019 V1155 L1156 L1157 | G989-T1186 WeakPolarHBondContact O-CG2 3.22Å; G989-T1186 PolarHBondContact O-OG1 2.88Å; V1016-T1186 HydrophobicContact CG1-CG2 3.57Å; G1019-T1186 PolarHBondContact N-OG1 2.96Å; V1155-T1186 PolarHBondContact O-N 3.06Å; V1155-T1186 VanDerWaalsContact O-N 3.15Å; L1156-T1186 CarbonylContact C-O 2.94Å; L1156-T1186 VanDerWaalsContact CA-O 3.31Å; L1156-T1186 WeakPolarHBondContact CA-O 3.41Å; L1156-T1186 HydrophobicContact CD1-CG2 4.01Å; L1156-T1186 WeakPolarHBondContact CD1-O 3.33Å; L1157-T1186 PolarHBondContact N-O 3.04Å |
| 1187 | S | 92.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 128.3 | -172.8 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | Q1020 T1021 V1022 L1157 R1185 | Q1020-S1187 PolarHBondContact O-N 2.92Å; T1021-S1187 WeakPolarHBondContact CA-O 3.32Å; V1022-S1187 PolarHBondContact N-O 3.02Å; L1157-S1187 CarbonylContact O-C 3.6Å; L1157-S1187 WeakPolarHBondContact O-CA 3.39Å; R1185-S1187 PolarHBondContact O-N 3.36Å; R1185-S1187 PolarHBondContact O-OG 2.99Å |
| 1188 | L | 92.4 | Very high | 82.9 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 114.6 | 171.9 | -78.8 | 178.1 | 0 | 0 | 0 | 108.4 | I991 V1016 V1022 L1036 V1039 L1156 L1157 L1159 | I991-L1188 HydrophobicContact CD1-CD1 3.69Å; I991-L1188 HydrophobicContact CD1-CG 4.24Å; V1016-L1188 HydrophobicContact CG2-CD2 3.85Å; V1022-L1188 HydrophobicContact CB-CD2 4.12Å; L1036-L1188 HydrophobicContact CD2-CB 3.83Å; L1036-L1188 HydrophobicContact CD2-CD1 4.27Å; V1039-L1188 HydrophobicContact CG1-CD1 4.35Å; V1039-L1188 HydrophobicContact CG2-CD1 4Å; L1156-L1188 HydrophobicContact CD1-CD1 4.48Å; L1156-L1188 HydrophobicContact CD1-CG 4.32Å; L1157-L1188 PolarHBondContact O-N 2.98Å; L1159-L1188 PolarHBondContact N-O 3.41Å |
| 1189 | V | 91.8 | Very high | 82.5 | Confident | 13 Ų | 13 | 42 Ų | 42 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 120.4 | -173.7 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | T1021 V1022 A1023 L1024 L1159 M1182 A1191 | T1021-V1189 HydrophobicContact CG2-CG2 4.07Å; V1022-V1189 PolarHBondContact O-N 3.05Å; A1023-V1189 CarbonylContact C-O 3.58Å; A1023-V1189 VanDerWaalsContact CA-O 3.27Å; A1023-V1189 WeakPolarHBondContact CA-O 3.45Å; L1024-V1189 PolarHBondContact N-O 2.65Å; L1159-V1189 HydrophobicContact CB-CG1 4.21Å; L1159-V1189 HydrophobicContact CB-CG2 4.38Å; L1159-V1189 HydrophobicContact CD1-CG1 4.43Å; L1159-V1189 HydrophobicContact CD1-CG2 3.93Å; L1159-V1189 HydrophobicContact CG-CG2 4.43Å; M1182-V1189 HydrophobicContact SD-CG2 3.74Å; V1189-A1191 HydrophobicContact CG1-CB 4.3Å |
| 1190 | V | 89.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 119.9 | 163.2 | 176.4 | 0 | 0 | 0 | 0 | 106.4 | L1024 K1032 L1036 L1159 E1161 | L1024-V1190 HydrophobicContact CB-CG2 4.03Å; L1024-V1190 HydrophobicContact CD1-CG2 4.08Å; K1032-V1190 HydrophobicContact CB-CG1 3.75Å; K1032-V1190 HydrophobicContact CB-CG2 4.01Å; K1032-V1190 HydrophobicContact CD-CG1 4.33Å; L1036-V1190 HydrophobicContact CD1-CB 4.03Å; L1036-V1190 HydrophobicContact CD1-CG2 3.39Å; L1036-V1190 HydrophobicContact CD2-CG2 4.14Å; L1036-V1190 HydrophobicContact CG-CG2 3.67Å; L1159-V1190 PolarHBondContact O-N 3.38Å; E1161-V1190 VanDerWaalsContact CA-O 3.3Å; E1161-V1190 WeakPolarHBondContact CA-O 3.29Å; E1161-V1190 HydrophobicContact CG-CG1 3.85Å; E1161-V1190 PolarHBondContact N-O 3.36Å |
| 1191 | A | 79 | Confident | 82.6 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | trans | -129.1 | 138 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1189 T1196 I1197 | V1189-A1191 HydrophobicContact CG1-CB 4.3Å; A1191-T1196 WeakPolarHBondContact CB-OG1 3.33Å; A1191-I1197 HydrophobicContact CB-CD1 3.62Å; A1191-I1197 HydrophobicContact CB-CG1 3.6Å | ||
| 1192 | H | 75.4 | Confident | 82.9 | Confident | 103 Ų | 103 | 42 Ų | 42 | 48% | 0.477 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -95.4 | -14.7 | 169.1 | -167.1 | -63.3 | 0 | 0 | 0 | 111.5 | ||
| 1193 | R | 72.6 | Confident | 83.1 | Confident | 79 Ų | 79 | 41.3 Ų | 41.3 | 30% | 0.298 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -112.2 | 121.5 | 178.1 | -65.8 | -175 | 177.8 | -153.7 | 4.7 | 109.3 | E1171 S1195 T1196 | E1171-R1193 WeakPolarHBondContact OE1-CD 3.12Å; E1171-R1193 IonicContact OE1-CZ 2.89Å; E1171-R1193 IonicContact OE1-NE 2.95Å; E1171-R1193 IonicContact OE1-NH1 3.88Å; E1171-R1193 PolarHBondContact OE1-NH1 3.14Å; E1171-R1193 IonicContact OE2-CZ 3.61Å; E1171-R1193 IonicContact OE2-NH1 2.64Å; E1171-R1193 PolarHBondContact OE2-NH1 3.41Å; R1193-S1195 PolarHBondContact O-N 2.83Å; R1193-T1196 PolarHBondContact O-N 3.5Å; R1193-T1196 VanDerWaalsContact O-N 3.17Å; R1193-T1196 PolarHBondContact O-OG1 3.31Å |
| 1194 | L | 71.6 | Confident | 83.6 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -64.4 | -24 | -177.9 | -71.7 | 162.4 | 0 | 0 | 0 | 113.9 | T1196 I1197 V1198 F1227 H1231 E1234 | L1194-T1196 PolarHBondContact O-N 2.99Å; L1194-T1196 VanDerWaalsContact O-N 3.13Å; L1194-I1197 HydrophobicContact CD2-CD1 3.93Å; L1194-I1197 PolarHBondContact O-N 3.34Å; L1194-V1198 WeakPolarHBondContact O-CG2 3.42Å; L1194-V1198 PolarHBondContact O-N 3.45Å; L1194-F1227 HydrophobicContact CD2-CD2 4.42Å; L1194-F1227 HydrophobicContact CD2-CE2 3.52Å; L1194-F1227 HydrophobicContact CD2-CZ 3.86Å; L1194-H1231 HydrophobicContact CD1-CB 3.86Å; L1194-E1234 VanDerWaalsContact CB-OE2 3.29Å; L1194-E1234 WeakPolarHBondContact CB-OE2 3.43Å; L1194-E1234 HydrophobicContact CD1-CB 3.74Å; L1194-E1234 HydrophobicContact CD1-CG 3.98Å; L1194-E1234 VanDerWaalsContact CD1-OE2 3.26Å; L1194-E1234 WeakPolarHBondContact CD1-OE2 3.23Å; L1194-E1234 VanDerWaalsContact CG-CD 3.47Å; L1194-E1234 WeakPolarHBondContact CG-OE2 3.2Å; L1194-E1234 PolarHBondContact N-OE2 2.61Å |
| 1195 | S | 72.7 | Confident | 84 | Confident | 75 Ų | 75 | 33.5 Ų | 33.5 | 52% | 0.524 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -51.4 | -35.4 | 172.9 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | R1193 I1197 | R1193-S1195 PolarHBondContact O-N 2.83Å; S1195-I1197 VanDerWaalsContact C-N 3.32Å; S1195-I1197 PolarHBondContact O-N 3.35Å |
| 1196 | T | 72.3 | Confident | 84 | Confident | 12 Ų | 12 | 30.1 Ų | 30.1 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -79.3 | -13.3 | 179.6 | 63.8 | 0 | 0 | 0 | 0 | 114 | T1163 A1191 R1193 L1194 | T1163-T1196 HydrophobicContact CG2-CG2 3.95Å; A1191-T1196 WeakPolarHBondContact CB-OG1 3.33Å; R1193-T1196 PolarHBondContact O-N 3.5Å; R1193-T1196 VanDerWaalsContact O-N 3.17Å; R1193-T1196 PolarHBondContact O-OG1 3.31Å; L1194-T1196 PolarHBondContact O-N 2.99Å; L1194-T1196 VanDerWaalsContact O-N 3.13Å |
| 1197 | I | 78.7 | Confident | 83.7 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -15.6 | -174.6 | -61 | 161.1 | 0 | 0 | 0 | 111.7 | A1023 V1025 A1191 L1194 S1195 N1199 A1200 V1203 F1227 | A1023-I1197 HydrophobicContact CB-CB 4.31Å; A1023-I1197 HydrophobicContact CB-CG1 3.98Å; A1023-I1197 HydrophobicContact CB-CG2 3.55Å; V1025-I1197 HydrophobicContact CG1-CD1 4.3Å; V1025-I1197 HydrophobicContact CG2-CD1 3.46Å; V1025-I1197 VanDerWaalsContact CG2-CD1 3.46Å; V1025-I1197 HydrophobicContact CG2-CG1 4.44Å; A1191-I1197 HydrophobicContact CB-CD1 3.62Å; A1191-I1197 HydrophobicContact CB-CG1 3.6Å; L1194-I1197 HydrophobicContact CD2-CD1 3.93Å; L1194-I1197 PolarHBondContact O-N 3.34Å; S1195-I1197 VanDerWaalsContact C-N 3.32Å; S1195-I1197 PolarHBondContact O-N 3.35Å; I1197-N1199 PolarHBondContact O-N 3.02Å; I1197-N1199 VanDerWaalsContact O-N 3.11Å; I1197-A1200 HydrophobicContact CG2-CB 4.32Å; I1197-A1200 VanDerWaalsContact O-CB 3.28Å; I1197-A1200 WeakPolarHBondContact O-CB 3.5Å; I1197-A1200 PolarHBondContact O-N 2.83Å; I1197-V1203 HydrophobicContact CG2-CG1 4.39Å; I1197-V1203 HydrophobicContact CG2-CG2 3.47Å; I1197-V1203 VanDerWaalsContact CG2-CG2 3.47Å; I1197-F1227 HydrophobicContact CG2-CE2 4.4Å; I1197-F1227 HydrophobicContact CG2-CZ 4.36Å |
| 1198 | V | 75 | Confident | 83.2 | Confident | 94 Ų | 94 | 39.4 Ų | 39.4 | 57% | 0.57 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -36.8 | -176.5 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | L1194 | L1194-V1198 WeakPolarHBondContact O-CG2 3.42Å; L1194-V1198 PolarHBondContact O-N 3.45Å |
| 1199 | N | 78.9 | Confident | 82.7 | Confident | 114 Ų | 114 | 39.4 Ų | 39.4 | 61% | 0.61 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 5.3 | -178.3 | -63.6 | -23.6 | 0 | 0 | 0 | 114 | I1197 | I1197-N1199 PolarHBondContact O-N 3.02Å; I1197-N1199 VanDerWaalsContact O-N 3.11Å |
| 1200 | A | 84.8 | Confident | 82.4 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 7% | 0.066 | 22% | 0.218 | C | C | . | . | trans | -76.7 | 137.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1021 A1023 I1197 L1202 P1217 | T1021-A1200 HydrophobicContact CG2-CB 4.17Å; A1023-A1200 HydrophobicContact CB-CB 3.95Å; I1197-A1200 HydrophobicContact CG2-CB 4.32Å; I1197-A1200 VanDerWaalsContact O-CB 3.28Å; I1197-A1200 WeakPolarHBondContact O-CB 3.5Å; I1197-A1200 PolarHBondContact O-N 2.83Å; A1200-L1202 PolarHBondContact O-N 3.45Å; A1200-P1217 WeakPolarHBondContact O-CD 3.42Å; A1200-P1217 VanDerWaalsContact O-CG 3.31Å; A1200-P1217 WeakPolarHBondContact O-CG 3.48Å | ||
| 1201 | D | 89.7 | Confident | 82.4 | Confident | 86 Ų | 86 | 45.2 Ų | 45.2 | 46% | 0.46 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -64.5 | -31.4 | 176.8 | -60.9 | -55 | 0 | 0 | 0 | 112.3 | Q1020 T1021 | Q1020-D1201 WeakPolarHBondContact CA-OD2 2.92Å; Q1020-D1201 HydrophobicContact CG-CB 3.7Å; T1021-D1201 PolarHBondContact N-OD2 3.41Å; T1021-D1201 PolarHBondContact O-N 3.22Å; T1021-D1201 VanDerWaalsContact O-N 3.1Å |
| 1202 | L | 91.8 | Very high | 82.9 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 13% | 0.131 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 137 | -176.4 | -170.6 | 76.3 | 0 | 0 | 0 | 111 | H1014 T1021 V1022 A1023 A1200 | H1014-L1202 VanDerWaalsContact CE1-CD2 3.48Å; H1014-L1202 WeakPolarHBondContact CE1-CD2 3.33Å; H1014-L1202 WeakPolarHBondContact NE2-CD2 3.48Å; T1021-L1202 PolarHBondContact O-N 2.97Å; V1022-L1202 CarbonylContact C-O 3.54Å; V1022-L1202 VanDerWaalsContact CA-O 3.28Å; V1022-L1202 WeakPolarHBondContact CA-O 3.09Å; V1022-L1202 HydrophobicContact CG1-CD2 4.49Å; V1022-L1202 HydrophobicContact CG2-CB 4.24Å; V1022-L1202 HydrophobicContact CG2-CD2 4.26Å; A1023-L1202 PolarHBondContact N-O 3.49Å; A1200-L1202 PolarHBondContact O-N 3.45Å |
| 1203 | V | 90.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 141.3 | 172.3 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | A1023 V1025 I1197 V1205 S1214 G1215 P1217 L1220 F1227 | A1023-V1203 HydrophobicContact CB-CG2 4.32Å; A1023-V1203 CarbonylContact O-C 3.52Å; A1023-V1203 WeakPolarHBondContact O-CA 3.49Å; V1025-V1203 HydrophobicContact CB-CG1 4.41Å; V1025-V1203 HydrophobicContact CG2-CG1 3.62Å; I1197-V1203 HydrophobicContact CG2-CG1 4.39Å; I1197-V1203 HydrophobicContact CG2-CG2 3.47Å; I1197-V1203 VanDerWaalsContact CG2-CG2 3.47Å; V1203-V1205 HydrophobicContact CG1-CG2 4.44Å; V1203-S1214 CarbonylContact O-C 3.58Å; V1203-S1214 WeakPolarHBondContact O-CA 3.36Å; V1203-G1215 PolarHBondContact N-O 2.97Å; V1203-G1215 PolarHBondContact O-N 3.45Å; V1203-P1217 HydrophobicContact CG2-CB 4.23Å; V1203-P1217 HydrophobicContact CG2-CG 3.72Å; V1203-L1220 HydrophobicContact CB-CD1 3.71Å; V1203-L1220 HydrophobicContact CG1-CD1 4.11Å; V1203-F1227 HydrophobicContact CB-CE2 4.45Å; V1203-F1227 HydrophobicContact CG1-CD2 3.73Å; V1203-F1227 HydrophobicContact CG1-CE2 3.65Å; V1203-F1227 HydrophobicContact CG1-CZ 4.37Å; V1203-F1227 HydrophobicContact CG2-CE2 4.31Å; V1203-F1227 HydrophobicContact CG2-CZ 4.25Å |
| 1204 | V | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 116.3 | 175.2 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | F1012 H1014 V1022 A1023 L1024 V1025 L1206 K1211 | F1012-V1204 HydrophobicContact CE2-CG1 4.28Å; F1012-V1204 HydrophobicContact CZ-CG1 4.23Å; H1014-V1204 VanDerWaalsContact CE1-CG2 3.4Å; H1014-V1204 WeakPolarHBondContact CE1-CG2 3.42Å; H1014-V1204 WeakPolarHBondContact NE2-CG2 3.35Å; V1022-V1204 HydrophobicContact CG1-CG2 3.73Å; A1023-V1204 PolarHBondContact O-N 2.89Å; L1024-V1204 HydrophobicContact CD2-CB 3.93Å; L1024-V1204 HydrophobicContact CD2-CG1 4.41Å; L1024-V1204 HydrophobicContact CD2-CG2 4.4Å; V1025-V1204 PolarHBondContact N-O 3.23Å; V1204-L1206 HydrophobicContact CG1-CD1 4.42Å; V1204-K1211 HydrophobicContact CG1-CD 3.88Å; V1204-K1211 HydrophobicContact CG1-CG 3.75Å |
| 1205 | V | 90.3 | Very high | 85.3 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.4 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | V1025 V1203 I1212 E1213 A1226 F1227 L1230 | V1025-V1205 CarbonylContact O-C 3.54Å; V1025-V1205 WeakPolarHBondContact O-CA 3.43Å; V1203-V1205 HydrophobicContact CG1-CG2 4.44Å; V1205-I1212 PolarHBondContact O-N 2.92Å; V1205-E1213 HydrophobicContact CB-CG 3.67Å; V1205-E1213 HydrophobicContact CG2-CG 3.67Å; V1205-E1213 PolarHBondContact N-O 3.24Å; V1205-A1226 HydrophobicContact CG1-CB 3.95Å; V1205-F1227 HydrophobicContact CG2-CB 3.73Å; V1205-F1227 HydrophobicContact CG2-CD2 4.13Å; V1205-F1227 HydrophobicContact CG2-CG 4.38Å; V1205-L1230 HydrophobicContact CG1-CD1 3.82Å |
| 1206 | L | 88.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 139.7 | 177 | -74 | 101.4 | 0 | 0 | 0 | 111.7 | L1009 F1012 L1024 V1025 G1026 P1027 C1030 L1035 V1204 C1210 | L1009-L1206 HydrophobicContact CD2-CD2 4.28Å; F1012-L1206 HydrophobicContact CD2-CD2 3.89Å; F1012-L1206 HydrophobicContact CD2-CG 4.46Å; F1012-L1206 HydrophobicContact CE2-CD1 4.32Å; F1012-L1206 HydrophobicContact CE2-CD2 3.67Å; F1012-L1206 HydrophobicContact CE2-CG 3.89Å; F1012-L1206 HydrophobicContact CZ-CD2 4.46Å; L1024-L1206 HydrophobicContact CB-CD1 4.15Å; L1024-L1206 HydrophobicContact CD2-CD1 4.16Å; V1025-L1206 PolarHBondContact O-N 3.47Å; G1026-L1206 WeakPolarHBondContact CA-O 3.05Å; P1027-L1206 VanDerWaalsContact CD-O 3.29Å; P1027-L1206 WeakPolarHBondContact CD-O 3.19Å; C1030-L1206 HydrophobicContact CB-CB 4.43Å; L1035-L1206 HydrophobicContact CD1-CD1 4.19Å; L1035-L1206 HydrophobicContact CD1-CD2 3.67Å; V1204-L1206 HydrophobicContact CG1-CD1 4.42Å; L1206-C1210 WeakPolarHBondContact CA-O 3.12Å |
| 1207 | R | 86.2 | Confident | 86.7 | Confident | 103 Ų | 103 | 43.7 Ų | 43.7 | 39% | 0.389 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 133 | 169.4 | -166.7 | 178.9 | -175.9 | 158.7 | 5 | 109.4 | G1209 C1210 I1212 | R1207-G1209 PolarHBondContact O-N 3Å; R1207-C1210 PolarHBondContact N-O 3.44Å; R1207-C1210 PolarHBondContact O-N 3.18Å; R1207-I1212 HydrophobicContact CB-CD1 3.25Å; R1207-I1212 HydrophobicContact CB-CG1 3.92Å; R1207-I1212 VanDerWaalsContact CD-CD1 3.47Å; R1207-I1212 HydrophobicContact CG-CD1 3.99Å |
| 1208 | D | 82.3 | Confident | 87 | Confident | 95 Ų | 95 | 47.2 Ų | 47.2 | 51% | 0.508 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 30.7 | 179.6 | -61.5 | -50.9 | 0 | 0 | 0 | 115.3 | K1010 | K1010-D1208 WeakPolarHBondContact CD-O 3.21Š|
| 1209 | G | 82.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -0 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V1008 K1010 C1030 R1207 | V1008-G1209 WeakPolarHBondContact O-CA 3.3Å; K1010-G1209 PolarHBondContact N-O 2.78Å; C1030-G1209 WeakPolarHBondContact O-CA 3.44Å; C1030-G1209 PolarHBondContact O-N 3.14Å; R1207-G1209 PolarHBondContact O-N 3Å |
| 1210 | C | 86.3 | Confident | 87.9 | Confident | 54 Ų | 54 | 39.4 Ų | 39.4 | 37% | 0.365 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 151 | -179.7 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | K1010 L1206 R1207 | K1010-C1210 PolarHBondContact O-SG 3.19Å; L1206-C1210 WeakPolarHBondContact CA-O 3.12Å; R1207-C1210 PolarHBondContact N-O 3.44Å; R1207-C1210 PolarHBondContact O-N 3.18Å |
| 1211 | K | 89.7 | Confident | 87.9 | Confident | 82 Ų | 82 | 41.5 Ų | 41.5 | 36% | 0.357 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122.4 | 168.5 | -179.1 | -178.1 | 73.3 | -171.2 | 0 | 109.5 | F1012 S1013 V1204 | F1012-K1211 HydrophobicContact CD2-CB 4.02Å; F1012-K1211 HydrophobicContact CE2-CB 3.79Å; S1013-K1211 WeakPolarHBondContact O-CE 3.33Å; S1013-K1211 PolarHBondContact O-NZ 3.45Å; V1204-K1211 HydrophobicContact CG1-CD 3.88Å; V1204-K1211 HydrophobicContact CG1-CG 3.75Å |
| 1212 | I | 88.9 | Confident | 87.8 | Confident | 85 Ų | 85 | 41.2 Ų | 41.2 | 44% | 0.436 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -55.9 | 175.5 | -65.6 | -174.3 | 0 | 0 | 0 | 110.5 | V1205 R1207 A1226 | V1205-I1212 PolarHBondContact O-N 2.92Å; R1207-I1212 HydrophobicContact CB-CD1 3.25Å; R1207-I1212 HydrophobicContact CB-CG1 3.92Å; R1207-I1212 VanDerWaalsContact CD-CD1 3.47Å; R1207-I1212 HydrophobicContact CG-CD1 3.99Å; I1212-A1226 HydrophobicContact CG2-CB 4.21Å |
| 1213 | E | 89.3 | Confident | 87.4 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.8 | -173.8 | 55.6 | 179.3 | -132.5 | 0 | 0 | 110.7 | V1205 L1220 G1225 A1226 F1227 | V1205-E1213 HydrophobicContact CB-CG 3.67Å; V1205-E1213 HydrophobicContact CG2-CG 3.67Å; V1205-E1213 PolarHBondContact N-O 3.24Å; E1213-L1220 HydrophobicContact CB-CD2 4.21Å; E1213-L1220 HydrophobicContact CG-CD2 4.33Å; E1213-G1225 WeakPolarHBondContact OE2-CA 3.36Å; E1213-A1226 HydrophobicContact CG-CB 4.34Å; E1213-A1226 PolarHBondContact OE1-N 2.94Å; E1213-A1226 PolarHBondContact OE2-N 2.95Å; E1213-F1227 WeakPolarHBondContact OE1-CA 3.34Å; E1213-F1227 WeakPolarHBondContact OE1-CB 3.43Å; E1213-F1227 PolarHBondContact OE1-N 3.45Å |
| 1214 | S | 90.4 | Very high | 87 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 140 | 174.9 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | V1203 | V1203-S1214 CarbonylContact O-C 3.58Å; V1203-S1214 WeakPolarHBondContact O-CA 3.36Å |
| 1215 | G | 89.4 | Confident | 86.6 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172 | 171.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1203 | V1203-G1215 PolarHBondContact N-O 2.97Å; V1203-G1215 PolarHBondContact O-N 3.45Å |
| 1216 | P | 89.6 | Confident | 86.2 | Confident | 68 Ų | 68 | 56.4 Ų | 56.4 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | trans | -57.4 | 145.8 | 170.1 | -21.9 | 32.4 | 0 | 0 | 0 | 110.7 | A1218 A1219 L1220 | P1216-A1218 VanDerWaalsContact C-N 3.32Å; P1216-A1218 PolarHBondContact O-N 3.44Å; P1216-A1219 HydrophobicContact CB-CB 4.38Å; P1216-A1219 HydrophobicContact CG-CB 4.49Å; P1216-A1219 WeakPolarHBondContact O-CB 3.32Å; P1216-A1219 PolarHBondContact O-N 3.32Å; P1216-L1220 PolarHBondContact O-N 3.09Å | ||
| 1217 | P | 85.4 | Confident | 85.9 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -50.3 | -48.4 | -176.4 | -23.4 | 26.9 | 0 | 0 | 0 | 113.3 | A1200 V1203 A1219 L1220 L1221 F1227 | A1200-P1217 WeakPolarHBondContact O-CD 3.42Å; A1200-P1217 VanDerWaalsContact O-CG 3.31Å; A1200-P1217 WeakPolarHBondContact O-CG 3.48Å; V1203-P1217 HydrophobicContact CG2-CB 4.23Å; V1203-P1217 HydrophobicContact CG2-CG 3.72Å; P1217-A1219 VanDerWaalsContact C-N 3.3Å; P1217-A1219 PolarHBondContact O-N 3.38Å; P1217-L1220 PolarHBondContact O-N 3.02Å; P1217-L1221 WeakPolarHBondContact O-CG 3.37Å; P1217-L1221 PolarHBondContact O-N 3.29Å; P1217-F1227 HydrophobicContact CB-CE1 4.39Å |
| 1218 | A | 85.9 | Confident | 85.8 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 64% | 0.636 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.3 | -35.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1216 A1222 | P1216-A1218 VanDerWaalsContact C-N 3.32Å; P1216-A1218 PolarHBondContact O-N 3.44Å; A1218-A1222 WeakPolarHBondContact O-CB 3.36Å; A1218-A1222 PolarHBondContact O-N 3.3Å; A1218-A1222 VanDerWaalsContact O-N 3.11Å |
| 1219 | A | 87.3 | Confident | 85.7 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -75 | -34.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1216 P1217 K1223 | P1216-A1219 HydrophobicContact CB-CB 4.38Å; P1216-A1219 HydrophobicContact CG-CB 4.49Å; P1216-A1219 WeakPolarHBondContact O-CB 3.32Å; P1216-A1219 PolarHBondContact O-N 3.32Å; P1217-A1219 VanDerWaalsContact C-N 3.3Å; P1217-A1219 PolarHBondContact O-N 3.38Å; A1219-K1223 WeakPolarHBondContact O-CG 3.44Å; A1219-K1223 PolarHBondContact O-N 3.01Å; A1219-K1223 VanDerWaalsContact O-N 3.13Å |
| 1220 | L | 85.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.3 | -37.9 | 175.3 | -68.5 | -176.2 | 0 | 0 | 0 | 111.9 | V1203 E1213 P1216 P1217 A1222 K1223 K1224 F1227 | V1203-L1220 HydrophobicContact CB-CD1 3.71Å; V1203-L1220 HydrophobicContact CG1-CD1 4.11Å; E1213-L1220 HydrophobicContact CB-CD2 4.21Å; E1213-L1220 HydrophobicContact CG-CD2 4.33Å; P1216-L1220 PolarHBondContact O-N 3.09Å; P1217-L1220 PolarHBondContact O-N 3.02Å; L1220-A1222 VanDerWaalsContact C-N 3.34Å; L1220-K1223 PolarHBondContact O-N 3.25Å; L1220-K1224 PolarHBondContact O-N 3.03Å; L1220-F1227 HydrophobicContact CB-CB 3.91Å; L1220-F1227 HydrophobicContact CB-CD1 3.52Å; L1220-F1227 HydrophobicContact CB-CE1 4.35Å; L1220-F1227 HydrophobicContact CB-CG 3.98Å; L1220-F1227 HydrophobicContact CD1-CB 4Å; L1220-F1227 HydrophobicContact CD1-CD1 4.2Å; L1220-F1227 HydrophobicContact CD1-CG 4.01Å |
| 1221 | L | 85 | Confident | 84.8 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 171.8 | -70.4 | 170.6 | 0 | 0 | 0 | 111.4 | P1217 K1223 K1224 F1227 Y1228 H1231 | P1217-L1221 WeakPolarHBondContact O-CG 3.37Å; P1217-L1221 PolarHBondContact O-N 3.29Å; L1221-K1223 VanDerWaalsContact C-N 3.3Å; L1221-K1223 PolarHBondContact O-N 2.97Å; L1221-K1224 PolarHBondContact O-N 3.43Å; L1221-F1227 HydrophobicContact CD2-CD1 4.09Å; L1221-F1227 HydrophobicContact CD2-CE1 4Å; L1221-F1227 HydrophobicContact CG-CD1 4.13Å; L1221-F1227 HydrophobicContact CG-CE1 3.88Å; L1221-Y1228 HydrophobicContact CD2-CD2 4.27Å; L1221-Y1228 WeakPolarHBondContact O-CD2 3.23Å; L1221-H1231 HydrophobicContact CD2-CB 3.73Å; L1221-H1231 VanDerWaalsContact CD2-CG 3.5Å |
| 1222 | A | 85.8 | Confident | 83.9 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 67% | 0.669 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.8 | -31.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1218 L1220 K1224 | A1218-A1222 WeakPolarHBondContact O-CB 3.36Å; A1218-A1222 PolarHBondContact O-N 3.3Å; A1218-A1222 VanDerWaalsContact O-N 3.11Å; L1220-A1222 VanDerWaalsContact C-N 3.34Å; A1222-K1224 VanDerWaalsContact C-N 3.26Å; A1222-K1224 PolarHBondContact O-N 3Å |
| 1223 | K | 83.8 | Confident | 82.6 | Confident | 150 Ų | 150 | 52.4 Ų | 52.4 | 65% | 0.652 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -72.4 | -15.4 | 178.4 | -81.4 | -178.1 | 178.8 | -175.7 | 0 | 114.2 | A1219 L1220 L1221 G1225 | A1219-K1223 WeakPolarHBondContact O-CG 3.44Å; A1219-K1223 PolarHBondContact O-N 3.01Å; A1219-K1223 VanDerWaalsContact O-N 3.13Å; L1220-K1223 PolarHBondContact O-N 3.25Å; L1221-K1223 VanDerWaalsContact C-N 3.3Å; L1221-K1223 PolarHBondContact O-N 2.97Å; K1223-G1225 PolarHBondContact O-N 3.02Å |
| 1224 | K | 82.6 | Confident | 80.9 | Confident | 145 Ų | 145 | 55.2 Ų | 55.2 | 63% | 0.63 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 39 | -175.5 | -61.3 | -169.3 | 174.9 | -170.2 | 0 | 113.9 | L1220 L1221 A1222 Y1228 | L1220-K1224 PolarHBondContact O-N 3.03Å; L1221-K1224 PolarHBondContact O-N 3.43Å; A1222-K1224 VanDerWaalsContact C-N 3.26Å; A1222-K1224 PolarHBondContact O-N 3Å; K1224-Y1228 VanDerWaalsContact CA-CB 3.48Å; K1224-Y1228 HydrophobicContact CB-CD1 3.88Å; K1224-Y1228 HydrophobicContact CB-CE1 4.16Å; K1224-Y1228 HydrophobicContact CB-CG 4.12Å; K1224-Y1228 HydrophobicContact CD-CE1 4.18Å; K1224-Y1228 HydrophobicContact CG-CD1 4.07Å; K1224-Y1228 HydrophobicContact CG-CD2 4.17Å; K1224-Y1228 HydrophobicContact CG-CE1 3.98Å; K1224-Y1228 HydrophobicContact CG-CE2 4.1Å; K1224-Y1228 HydrophobicContact CG-CG 4.15Å |
| 1225 | G | 83.9 | Confident | 78.6 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 26% | 0.258 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -91.3 | -148.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1213 K1223 F1227 Y1228 A1229 | E1213-G1225 WeakPolarHBondContact OE2-CA 3.36Å; K1223-G1225 PolarHBondContact O-N 3.02Å; G1225-F1227 PolarHBondContact O-N 3.31Å; G1225-Y1228 PolarHBondContact O-N 3.22Å; G1225-A1229 PolarHBondContact O-N 3.25Å |
| 1226 | A | 81.9 | Confident | 78 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.9 | -33.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1205 I1212 E1213 A1229 L1230 | V1205-A1226 HydrophobicContact CG1-CB 3.95Å; I1212-A1226 HydrophobicContact CG2-CB 4.21Å; E1213-A1226 HydrophobicContact CG-CB 4.34Å; E1213-A1226 PolarHBondContact OE1-N 2.94Å; E1213-A1226 PolarHBondContact OE2-N 2.95Å; A1226-A1229 WeakPolarHBondContact O-CB 3.42Å; A1226-A1229 PolarHBondContact O-N 3.29Å; A1226-L1230 VanDerWaalsContact O-CG 3.29Å; A1226-L1230 WeakPolarHBondContact O-CG 3.41Å; A1226-L1230 PolarHBondContact O-N 3.22Å |
| 1227 | F | 82.7 | Confident | 77.4 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 2% | 0.022 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 173.7 | -176 | -112.1 | 0 | 0 | 0 | 111.5 | V1025 L1194 I1197 V1203 V1205 E1213 P1217 L1220 L1221 G1225 A1229 L1230 H1231 | V1025-F1227 HydrophobicContact CG2-CE2 4.44Å; L1194-F1227 HydrophobicContact CD2-CD2 4.42Å; L1194-F1227 HydrophobicContact CD2-CE2 3.52Å; L1194-F1227 HydrophobicContact CD2-CZ 3.86Å; I1197-F1227 HydrophobicContact CG2-CE2 4.4Å; I1197-F1227 HydrophobicContact CG2-CZ 4.36Å; V1203-F1227 HydrophobicContact CB-CE2 4.45Å; V1203-F1227 HydrophobicContact CG1-CD2 3.73Å; V1203-F1227 HydrophobicContact CG1-CE2 3.65Å; V1203-F1227 HydrophobicContact CG1-CZ 4.37Å; V1203-F1227 HydrophobicContact CG2-CE2 4.31Å; V1203-F1227 HydrophobicContact CG2-CZ 4.25Å; V1205-F1227 HydrophobicContact CG2-CB 3.73Å; V1205-F1227 HydrophobicContact CG2-CD2 4.13Å; V1205-F1227 HydrophobicContact CG2-CG 4.38Å; E1213-F1227 WeakPolarHBondContact OE1-CA 3.34Å; E1213-F1227 WeakPolarHBondContact OE1-CB 3.43Å; E1213-F1227 PolarHBondContact OE1-N 3.45Å; P1217-F1227 HydrophobicContact CB-CE1 4.39Å; L1220-F1227 HydrophobicContact CB-CB 3.91Å; L1220-F1227 HydrophobicContact CB-CD1 3.52Å; L1220-F1227 HydrophobicContact CB-CE1 4.35Å; L1220-F1227 HydrophobicContact CB-CG 3.98Å; L1220-F1227 HydrophobicContact CD1-CB 4Å; L1220-F1227 HydrophobicContact CD1-CD1 4.2Å; L1220-F1227 HydrophobicContact CD1-CG 4.01Å; L1221-F1227 HydrophobicContact CD2-CD1 4.09Å; L1221-F1227 HydrophobicContact CD2-CE1 4Å; L1221-F1227 HydrophobicContact CG-CD1 4.13Å; L1221-F1227 HydrophobicContact CG-CE1 3.88Å; G1225-F1227 PolarHBondContact O-N 3.31Å; F1227-A1229 VanDerWaalsContact C-N 3.33Å; F1227-L1230 PolarHBondContact O-N 2.85Å; F1227-H1231 VanDerWaalsContact O-CB 3.27Å; F1227-H1231 WeakPolarHBondContact O-CB 3.48Å; F1227-H1231 PolarHBondContact O-N 3.04Å |
| 1228 | Y | 83.5 | Confident | 77 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 26% | 0.255 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 175.1 | 176.9 | -96.8 | 0 | 0 | 0 | 111 | L1221 K1224 G1225 H1231 H1232 | L1221-Y1228 HydrophobicContact CD2-CD2 4.27Å; L1221-Y1228 WeakPolarHBondContact O-CD2 3.23Å; K1224-Y1228 VanDerWaalsContact CA-CB 3.48Å; K1224-Y1228 HydrophobicContact CB-CD1 3.88Å; K1224-Y1228 HydrophobicContact CB-CE1 4.16Å; K1224-Y1228 HydrophobicContact CB-CG 4.12Å; K1224-Y1228 HydrophobicContact CD-CE1 4.18Å; K1224-Y1228 HydrophobicContact CG-CD1 4.07Å; K1224-Y1228 HydrophobicContact CG-CD2 4.17Å; K1224-Y1228 HydrophobicContact CG-CE1 3.98Å; K1224-Y1228 HydrophobicContact CG-CE2 4.1Å; K1224-Y1228 HydrophobicContact CG-CG 4.15Å; G1225-Y1228 PolarHBondContact O-N 3.22Å; Y1228-H1231 PolarHBondContact O-N 3.32Å; Y1228-H1232 AromaticContact CD1-CD2 3.73Å; Y1228-H1232 AromaticContact CD2-CD2 3.81Å; Y1228-H1232 AromaticContact CE1-CD2 3.28Å; Y1228-H1232 WeakPolarHBondContact CE1-CD2 3.46Å; Y1228-H1232 AromaticContact CE1-NE2 3.65Å; Y1228-H1232 AromaticContact CE2-CD2 3.36Å; Y1228-H1232 WeakPolarHBondContact CE2-CD2 3.37Å; Y1228-H1232 AromaticContact CE2-NE2 3.19Å; Y1228-H1232 WeakPolarHBondContact CE2-NE2 3.45Å; Y1228-H1232 AromaticContact CG-CD2 3.99Å; Y1228-H1232 AromaticContact CZ-CD2 3.09Å; Y1228-H1232 AromaticContact CZ-NE2 2.94Å; Y1228-H1232 PolarHBondContact O-CD2 3.12Å; Y1228-H1232 PolarHBondContact O-N 2.64Å; Y1228-H1232 PolarHBondContact OH-CD2 3.3Å; Y1228-H1232 PolarHBondContact OH-NE2 3.21Å |
| 1229 | A | 81 | Confident | 76.4 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56 | -57.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | G1225 A1226 F1227 H1231 H1232 M1233 | G1225-A1229 PolarHBondContact O-N 3.25Å; A1226-A1229 WeakPolarHBondContact O-CB 3.42Å; A1226-A1229 PolarHBondContact O-N 3.29Å; F1227-A1229 VanDerWaalsContact C-N 3.33Å; A1229-H1231 PolarHBondContact O-N 3.48Å; A1229-H1231 VanDerWaalsContact O-N 3.14Å; A1229-H1232 CarbonylContact O-C 3.56Å; A1229-H1232 WeakPolarHBondContact O-CA 3.44Å; A1229-H1232 PolarHBondContact O-N 3.25Å; A1229-M1233 WeakPolarHBondContact O-CG 3.43Å; A1229-M1233 PolarHBondContact O-N 3.22Å |
| 1230 | L | 76.6 | Confident | 75.8 | Confident | 29 Ų | 29 | 65.5 Ų | 65.5 | 15% | 0.152 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -52.5 | -37.8 | 176.3 | -70.9 | 164.2 | 0 | 0 | 0 | 113.2 | V1025 V1205 A1226 F1227 M1233 E1234 | V1025-L1230 HydrophobicContact CG1-CD1 4.02Å; V1205-L1230 HydrophobicContact CG1-CD1 3.82Å; A1226-L1230 VanDerWaalsContact O-CG 3.29Å; A1226-L1230 WeakPolarHBondContact O-CG 3.41Å; A1226-L1230 PolarHBondContact O-N 3.22Å; F1227-L1230 PolarHBondContact O-N 2.85Å; L1230-M1233 HydrophobicContact CD2-SD 4.08Å; L1230-M1233 PolarHBondContact O-N 3.37Å; L1230-E1234 PolarHBondContact O-N 2.68Å |
| 1231 | H | 72.8 | Confident | 75.1 | Confident | 52 Ų | 52 | 69.9 Ų | 69.9 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.7 | -28 | 177.3 | -171.8 | -78.4 | 0 | 0 | 0 | 114.4 | L1194 L1221 F1227 Y1228 A1229 N1235 | L1194-H1231 HydrophobicContact CD1-CB 3.86Å; L1221-H1231 HydrophobicContact CD2-CB 3.73Å; L1221-H1231 VanDerWaalsContact CD2-CG 3.5Å; F1227-H1231 VanDerWaalsContact O-CB 3.27Å; F1227-H1231 WeakPolarHBondContact O-CB 3.48Å; F1227-H1231 PolarHBondContact O-N 3.04Å; Y1228-H1231 PolarHBondContact O-N 3.32Å; A1229-H1231 PolarHBondContact O-N 3.48Å; A1229-H1231 VanDerWaalsContact O-N 3.14Å; H1231-N1235 PolarHBondContact CE1-ND2 3.11Å; H1231-N1235 PolarHBondContact ND1-ND2 3.46Å; H1231-N1235 VanDerWaalsContact ND1-ND2 3.18Å; H1231-N1235 PolarHBondContact O-N 3.47Å; H1231-N1235 PolarHBondContact O-ND2 3.2Å |
| 1232 | H | 71 | Confident | 74.4 | Confident | 85 Ų | 85 | 71.1 Ų | 71.1 | 39% | 0.394 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -81.9 | -23.7 | 168.7 | -89.7 | -73 | 0 | 0 | 0 | 113 | Y1228 A1229 E1234 | Y1228-H1232 AromaticContact CD1-CD2 3.73Å; Y1228-H1232 AromaticContact CD2-CD2 3.81Å; Y1228-H1232 AromaticContact CE1-CD2 3.28Å; Y1228-H1232 WeakPolarHBondContact CE1-CD2 3.46Å; Y1228-H1232 AromaticContact CE1-NE2 3.65Å; Y1228-H1232 AromaticContact CE2-CD2 3.36Å; Y1228-H1232 WeakPolarHBondContact CE2-CD2 3.37Å; Y1228-H1232 AromaticContact CE2-NE2 3.19Å; Y1228-H1232 WeakPolarHBondContact CE2-NE2 3.45Å; Y1228-H1232 AromaticContact CG-CD2 3.99Å; Y1228-H1232 AromaticContact CZ-CD2 3.09Å; Y1228-H1232 AromaticContact CZ-NE2 2.94Å; Y1228-H1232 PolarHBondContact O-CD2 3.12Å; Y1228-H1232 PolarHBondContact O-N 2.64Å; Y1228-H1232 PolarHBondContact OH-CD2 3.3Å; Y1228-H1232 PolarHBondContact OH-NE2 3.21Å; A1229-H1232 CarbonylContact O-C 3.56Å; A1229-H1232 WeakPolarHBondContact O-CA 3.44Å; A1229-H1232 PolarHBondContact O-N 3.25Å; H1232-E1234 VanDerWaalsContact C-N 3.32Å |
| 1233 | M | 60.8 | Low | 73.5 | Confident | 56 Ų | 56 | 70.4 Ų | 70.4 | 28% | 0.276 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.1 | -35 | 172.8 | -45.9 | -169.9 | 135.6 | 0 | 0 | 111.1 | D587 A1229 L1230 | D587-M1233 HydrophobicContact CB-CE 3.62Å; D587-M1233 WeakPolarHBondContact OD1-CB 3.23Å; D587-M1233 WeakPolarHBondContact OD1-CE 3.38Å; D587-M1233 WeakPolarHBondContact OD1-CG 3.47Å; D587-M1233 VanDerWaalsContact OD1-SD 3.33Å; A1229-M1233 WeakPolarHBondContact O-CG 3.43Å; A1229-M1233 PolarHBondContact O-N 3.22Å; L1230-M1233 HydrophobicContact CD2-SD 4.08Å; L1230-M1233 PolarHBondContact O-N 3.37Å |
| 1234 | E | 55 | Low | 72.7 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -88.4 | -19.6 | -176.6 | -83.1 | -175.4 | -147.2 | 0 | 0 | 115.1 | L1194 L1230 H1232 | L1194-E1234 VanDerWaalsContact CB-OE2 3.29Å; L1194-E1234 WeakPolarHBondContact CB-OE2 3.43Å; L1194-E1234 HydrophobicContact CD1-CB 3.74Å; L1194-E1234 HydrophobicContact CD1-CG 3.98Å; L1194-E1234 VanDerWaalsContact CD1-OE2 3.26Å; L1194-E1234 WeakPolarHBondContact CD1-OE2 3.23Å; L1194-E1234 VanDerWaalsContact CG-CD 3.47Å; L1194-E1234 WeakPolarHBondContact CG-OE2 3.2Å; L1194-E1234 PolarHBondContact N-OE2 2.61Å; L1230-E1234 PolarHBondContact O-N 2.68Å; H1232-E1234 VanDerWaalsContact C-N 3.32Å |
| 1235 | N | 40.2 | Very low | 71.8 | Confident | 148 Ų | 148 | 56.4 Ų | 56.4 | 79% | 0.791 | 31% | 0.305 | S | S | * | . | trans | -109.1 | 0 | 177.4 | -68.5 | -66.2 | 0 | 0 | 0 | 110.9 | H1231 | H1231-N1235 PolarHBondContact CE1-ND2 3.11Å; H1231-N1235 PolarHBondContact ND1-ND2 3.46Å; H1231-N1235 VanDerWaalsContact ND1-ND2 3.18Å; H1231-N1235 PolarHBondContact O-N 3.47Å; H1231-N1235 PolarHBondContact O-ND2 3.2Å |
Retrieved 1,235 of 1,235 residues in 1663.2 ms
(Link to these results)